CCCBDB List of Species with completed calculations

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List of which calculations are completed at MP3=FULL /aug-cc-pVTZ

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom	¹S	K_h
6	He	Helium atom
7	He⁺	Helium atom cation	²S	K_h
8	HeH⁺	Helium hydride cation	¹Σ	C_∞v
9	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
10	Li^-	Lithium atom anion	¹S	K_h
11	LiH⁺	lithium hydride cation	²Σ	C_∞v
12	MgH	magnesium monohydride	²Σ	C_∞v
13	ZnH⁺	Zinc, protonated
14	BeH₂⁺	Beryllium dihydride cation
15	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
16	Al	Aluminum atom	²P	K_h
17	Al^-	Aluminum atom anion	³P	K_h
18	Al⁺	Aluminum atom cation	¹S	K_h
19	BH	Boron monohydride	¹Σ	C_∞v
20	BH	Boron monohydride	³Π	C_∞v
21	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
22	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
23	BH₃⁺	boron trihydride cation	²B₂	C_2v
24	BH₃⁺	boron trihydride cation		C_2v
25	AlH₃	aluminum trihydride	¹A₁^'	D_3h
26	AlH₃^-	aluminum trihydride anion		C_3v
27	BH₄	borohydride	²B₂	C_2v
28	BH₄^-	borohydride anion	¹A₁	T_d
29	C	Carbon atom	³P₀	K_h
30	Si^-	Silicon atom anion	⁴S	K_h
31	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
32	GeH	germylidene	²Π	C_∞v
33	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
34	CH₂^-	methylene anion	²B₁	C_2v
35	GeH₂	germylene	¹A₁	C_2v
36	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
37	CH₄	Methane	¹A₁	T_d
38	CH₄^-	Methane anion	²A₁	T_d
39	SiH₂D₂	silane-d2
40	SiH₄	Silane	¹A₁	T_d
41	GeH₄	Germane	¹A₁	T_d
42	SiH₅⁺	Silane, protonated
43	N	Nitrogen atom	⁴S	K_h
44	P	Phosphorus atom	⁴S	K_h
45	V⁺	Vanadium atom cation	⁵D	K_h
46	As	Arsenic atomic	⁴S	K_h
47	As^-	Arsenic anion	³P	K_h
48	As⁺	Arsenic cation	³P	K_h
49	PH	phosphorus monohydride	³Σ^-	C_∞v
50	NH₂	Amino radical	²B₁	C_2v
51	NH₂⁺	Amino cation	³B₁	C_2v
52	NH₂⁺	Amino cation	¹A₁	C_2v
53	NH₃	Ammonia	¹A₁	C_3v
54	NH₃^-	Ammonia anion	²A₁	C_3v
55	PH₃	Phosphine	¹A₁	C_3v
56	PH₃⁺	Phosphine cation	²A₁	C_3v
57	NH₄	Ammonium radical
58	NH₄⁺	ammonium cation	¹A₁	T_d
59	PH₄	Phosphoranyl radical
60	PH₄⁺	phosphonium cation
61	O	Oxygen atom	³S	K_h
62	S	Sulfur atom	³P	K_h
63	S	Sulfur atom
64	S^-	Sulfur atom anion	²P	K_h
65	S⁺	Sulfur atom cation	⁴S	K_h
66	Se	Selenium atom	³P	K_h
67	Se^-	Selenium atom anion	²P	K_h
68	Se⁺	Selenium atom cation	⁴S	K_h
69	OH	Hydroxyl radical	²Π	C_∞v
70	OH^-	hydroxide anion	¹Σ	C_∞v
71	OH⁺	hydoxyl cation	³Σ	C_∞v
72	HS^-	mercapto anion	¹Σ	C_∞v
73	HS⁺	sulfur monohydride cation	³Σ	C_∞v
74	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
75	HSe	Selenium monohydride	²Π	C_∞v
76	HSe^-	selenium monohydride anion	¹Σ	C_∞v
77	HSe⁺	selenium monohydride cation	³Σ	C_∞v
78	H₂O	Water	¹A₁	C_2v
79	H₂O^-	water anion	²A₁	C_2v
80	H₂O^-	water anion	²A^'	C_s
81	H₂O⁺	water cation	²B₁	C_2v
82	HDO	Water-d1	¹A₁	C_2v
83	H₂S	Hydrogen sulfide	¹A₁	C_2v
84	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
85	H₂Se	Hydrogen selenide	¹A₁	C_2v
86	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
87	H₃O⁺	hydronium cation	¹A₁	C_3v
88	H₃S⁺	Sulfonium cation	¹A₁	C_3v
89	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
90	F	Fluorine atom	²P	K_h
91	F^-	Fluorine atom anion	¹S	K_h
92	F⁺	Fluorine atom cation	³S	K_h
93	F⁺	Fluorine atom cation	¹D	K_h
94	Cl	Chlorine atom	²P	K_h
95	Cl^-	Chlorine atom anion	¹S	K_h
96	Cl⁺	Chlorine atom cation	³P	K_h
97	Cl⁺	Chlorine atom cation	¹D	K_h
98	Br	Bromine atom	²P	K_h
99	Br^-	Bromine atom anion	¹S	K_h
100	Br⁺	Bromine atom cation	³P	K_h
101	HCl⁺	hydrogen chloride cation	²Π	C_∞v
102	HBr	hydrogen bromide	¹Σ	C_∞v
103	HBr^-	hydrogen bromide anion	²Σ	C_∞v
104	HBr⁺	hydrogen bromide cation	²Π	C_∞v
105	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
106	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
107	Ne	Neon atom	¹S	K_h
108	Ne	Neon atom
109	Kr	Krypton atom	¹S	K_h
110	Kr⁺	Krypton cation	²P	K_h
111	HeLi⁺	Helium Lithium cation
112	ArH⁺	Argon hydride cation	¹Σ	C_∞v
113	KrH⁺	Protonated Krypton	¹Σ	C_∞v
114	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
115	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
116	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
117	BeMg	Beryllium Magnesium	¹Σ	C_∞v
118	LiAl	Lithium Aluminum
119	NaAl	Sodium aluminum	¹Σ	C_∞v
120	BAl	Boron Aluminum	³Σ	C_∞v
121	BGa	Boron Gallium	³Σ	C_∞v
122	AlGa	Aluminum Gallium	³Σ	C_∞v
123	AlGa	Aluminum Gallium	¹Σ	C_∞v
124	HBBH	Diborane(2)	³Σ_G	D_∞h
125	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
126	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
127	B₂H₆	Diborane	¹A_g	D_2h
128	B₂H₆⁺	Diborane cation
129	BSi	Boron silicide	⁴Σ	C_∞v
130	BSi	Boron silicide	²Σ	C_∞v
131	SiGe	Silicon Germanium
132	C₂H	Ethynyl radical	²Σ	C_∞v
133	C₂H^-	Ethynyl anion	¹Σ	C_∞v
134	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
135	C₂H₂⁺	acetylene cation
136	H₂CC^-	vinylidene anion
137	HCCH^-	acetylene anion
138	HCCH^-	acetylene anion
139	CH₃Li	methyl lithium	¹A₁	C_3v
140	CH₂BH	methyleneborane	¹A₁	C_2v
141	C₂H₃	vinyl	²A^'	C_s
142	C₂H₃^-	vinyl anion	¹A^'	C_s
143	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
144	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
145	C₂H₄⁺	Ethylene cation	²B₃	D₂
146	Si₂H₄	Disilene
147	CH₃BH₂	methylborane	¹A^'	C_s
148	C₂H₅	Ethyl radical	²A^'	C_s
149	C₂H₆	Ethane	¹A_1g	D_3d
150	Si₂H₆	disilane	¹E_u	D_3d
151	LiP	Lithium monophosphide
152	LiP	Lithium monophosphide
153	MgN	Magnesium Nitride
154	MgN	Magnesium Nitride
155	BP	Boron monophosphide	³Π	C_∞v
156	BP	Boron monophosphide	¹Σ	C_∞v
157	GaP	Gallium monophosphide	³Σ	C_∞v
158	GaP	Gallium monophosphide	¹Σ	C_∞v
159	CN	Cyano radical	²Σ	C_∞v
160	SiP	Silicon monophosphide	²Π	C_∞v
161	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
162	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
163	HCN	Hydrogen cyanide	¹Σ	C_∞v
164	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
165	HNC⁺	hydrogen isocyanide cation
166	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
167	LiNH₂	lithium amide
168	HBNH	Boranimine	¹Σ	C_∞v
169	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
170	CH₂NH	Methanimine	¹A^'	C_s
171	CH₂NH⁺	Methanimine cation
172	CHNH₂	aminomethylene
173	CHNH₂⁺	Aminocarbene cation
174	BH₂NH₂	Boranamine
175	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
176	N₂H₄	Hydrazine	¹A	C₂
177	CH₃NH₂	methyl amine	¹A^'	C_s
178	SiH₃NH₂	Silane, amino
179	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
180	BH₃PH₃	borane phosphine
181	BH₃NH₃	borane ammonia	¹A₁	C_3v
182	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
183	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
184	N₂H₇⁺	ammonia ammonium dimer
185	BO	boron monoxide	²Σ	C_∞v
186	CO	Carbon monoxide	¹Σ	C_∞v
187	CO^-	carbon monoxide anion	²Π	C_∞v
188	CO⁺	carbon monoxide cation	²Σ	C_∞v
189	GeO	Germanium monoxide	¹Σ	C_∞v
190	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
191	GeS	Germanium monosulfide	¹Σ	C_∞v
192	SiSe	Silicon Monoselenide
193	SiSe⁺	Silicon Monoselenide cation
194	NO	Nitric oxide	²Π	C_∞v
195	NO^-	nitric oxide anion	³Σ	C_∞v
196	NO⁺	nitric oxide cation	¹Σ	C_∞v
197	NS	Mononitrogen monosulfide	²Π	C_∞v
198	PO	Phosphorus monoxide	²Π	C_∞v
199	PS	phosphorus sulfide	²Σ	C_∞v
200	NSe	Nitrogen monoselenide	²Π	C_∞v
201	AsS	Arsenic monosulfide	²Π	C_∞v
202	PSe	Phosphorus monoselenide	²Π	C_∞v
203	AsSe	Arsenic monoselenide	²Π	C_∞v
204	O₂^-	oxygen diatomic anion	²Π	D_∞h
205	SO⁺	sulfur monoxide cation	²Π	C_∞v
206	S₂	Sulfur diatomic	³Σ_g	D_∞h
207	SeO	Selenium monoxide	³Σ	C_∞v
208	LiOH	lithium hydroxide	¹Σ	C_∞v
209	BeOH	beryllium monohydroxide	²A^'	C_s
210	HBO	Boron hydride oxide	¹Σ	C_∞v
211	COH	Hydroxymethylidyne
212	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
213	HCO^-	formyl anion	¹A^'	C_s
214	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
215	NOH	Hydroxyimidogen	³A^"	C_s
216	NOH⁺	O-protonated nitric oxide	²A^'	C_s
217	HO₂⁺	Hydroperoxy cation	³A^"	C_s
218	HSO⁺	Sulfur Monoxide, S-protonated
219	SOH	Sulfur Hydroxide
220	SOH⁺	Sulfur Monoxide, protonated
221	H₂CO	Formaldehyde	¹A₁	C_2v
222	H₂CO^-	formaldehyde anion	²A^'	C_s
223	H₂CO^-	formaldehyde anion
224	H₂CO⁺	formaldehyde cation	²B₂	C_2v
225	H₂CS	Thioformaldehyde	¹A₁	C_2v
226	H₂CS^-	thioformaldehyde anion
227	H₂CS^-	thioformaldehyde anion
228	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
229	H₂NO	nitroxide	²B₁	C_2v
230	H₂NO	nitroxide	²A^'	C_s
231	H₂O₂	Hydrogen peroxide	¹A	C₂
232	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
233	H₂OO	water oxide
234	HOSH	hydrogen thioperoxide
235	H₂S₂	Disulfane	¹A	C₂
236	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
237	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
238	CH₃O^-	methoxy anion	¹A₁	C_3v
239	CH₃O⁺	Methoxy cation	³A₁	C_3v
240	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
241	NH₂OH	hydroxylamine	¹A^'	C_s
242	NH₂OH⁺	Hydroxylamine cation
243	NH₂SH	Thiohydroxylamine
244	NH₂SH	Thiohydroxylamine
245	NH₃S	sulfidoazane
246	CH₃OH	Methyl alcohol	¹A^'	C_s
247	CH₃SH	Methanethiol	¹A^'	C_s
248	CH₃SH⁺	Methanethiol cation	²A^"	C_s
249	SiH₃OH	silanol
250	NH₂OH₂⁺	protonated hydroxylamine
251	NH₃OH⁺	N-protonated hydroxylamine
252	H₂OH₂O	water dimer	¹A^'	C_s
253	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
254	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
255	LiF	lithium fluoride	¹Σ	C_∞v
256	LiCl	lithium chloride	¹Σ	C_∞v
257	NaF⁺	sodium fluoride cation	²Σ	C_∞v
258	LiBr	Lithium Bromide	¹Σ	C_∞v
259	LiF⁺	lithium fluoride cation	²Π	C_∞v
260	TiCl	Titanium Monochloride	⁴Σ	C_∞v
261	ZnF	Zinc monofluoride	²Σ	C_∞v
262	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
263	AlBr	Aluminum monobromide
264	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
265	CF	Fluoromethylidyne	²Π	C_∞v
266	SiF	silicon monofluoride	²Π	C_∞v
267	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
268	CBr	Carbon monobromide	²Π	C_∞v
269	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
270	GeCl⁺	Germanium monochloride cation
271	SiBr	Silicon monobromide	²Π	C_∞v
272	SiBr⁺	Silicon monobromide cation
273	NCl	nitrogen monochloride	³Σ	C_∞v
274	AsCl	Arsenic monochloride	³Σ	C_∞v
275	PBr	Phosphorus monobromide
276	FO	Oxygen monofluoride	²Π	C_∞v
277	SCl	sulfur monochloride	²Π	C_∞v
278	SeCl	Selenium monochloride	²Π	C_∞v
279	BrCl	Bromine monochloride	¹Σ	C_∞v
280	F₂	Fluorine diatomic	¹Σ_g	D_∞h
281	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
282	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
283	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
284	ClF⁺	clorine monofluoride cation	²Π	C_∞v
285	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
286	BrF	Bromine monofluoride	¹Σ	C_∞v
287	Br₂	Bromine diatomic	¹Σ_g	D_∞h
288	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
289	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
290	HCF	Fluoromethylene	¹A^'	C_s
291	HCF	Fluoromethylene	³A^"	C_s
292	HOCl	hypochlorous acid	¹A^'	C_s
293	HOCl⁺	hypochlorous acid cation
294	F₂H⁺	Fluorine, protonated	¹A^'	C_s
295	ClFH⁺	Chlorine fluoride, F-protonated
296	FClH⁺	Chlorine fluoride, Cl-protonated
297	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
298	CH₂Br	bromomethyl radical
299	CH₂F	fluoromethyl radical	²A	C_s
300	CH₂F⁺	fluoromethyl cation
301	CH₂Cl⁺	chloromethyl cation
302	CH₂Cl	chloromethyl radical	²A^'	C_s
303	CH₂Cl	chloromethyl radical	²B₁	C_2v
304	NH₂Cl	chloramine	¹A^'	C_s
305	CH₃F⁺	methyl fluoride cation
306	CH₃F	Methyl fluoride	¹A₁	C_3v
307	CH₃Cl	Methyl chloride	¹A₁	C_3v
308	SiH₃Cl	chlorosilane	¹A₁	C₁
309	CH₃Br	methyl bromide	¹A₁	C_3v
310	SiH₃Br	bromosilane	¹A₁	C_3v
311	CH₃ClH⁺	methyl chloride, protonated
312	NH₄Cl	Ammonium chloride
313	LiNe⁺	Lithium Neon cation
314	Ar₂	Argon diatomic	¹S_g	D_∞h
315	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
316	C₃	carbon trimer	¹Σ_g	D_∞h
317	C₃	carbon trimer	¹A₁	C_2v
318	C₃H₄	cyclopropene	¹A₁	C_2v
319	CH₃CCH	propyne	¹A^'	C_3v
320	CH₂CHCH₃	Propene	¹A^'	C_s
321	C₃H₇	n-Propyl radical	²A^"	C₁
322	C₃H₇⁺	cyclopropane, protonated
323	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
324	C₃H₈	Propane	¹A₁	C_2v
325	Si₃H₈	trisilane
326	LiCN	lithium cyanide	¹Σ	C*V LiCN
327	ZnCN	Zinc monocyanide	²Σ	C_∞v
328	ZnNC	Zinc isocyanide	²Σ	C_∞v
329	N₃	azide radical	²Π_g	D_∞h
330	N₃⁺	azide cation	³Σ_g	D_∞h
331	N₃⁺	azide cation	³Σ	C_∞v
332	HN₃⁺	Hydrazoic acid cation
333	HNCNH	diiminomethane	¹A	C₂
334	HNNNH⁺	1,2-Triazadienium
335	NH₂NN⁺	hydrazoic acid, protonated
336	CH₃CN	Acetonitrile	¹A₁	C_3v
337	CH₃CN^-	acetonitrile anion	²E	C_3v
338	CHNCH₂	2H-Azirine
339	CHNHCH	1H-Azirine
340	H₂CCNH	Ethenimine
341	H₂CNCH	methyleneaminomethylene
342	HCCNH₂	Ethynamine
343	HCNCH₂⁺	2H-Azirine cation
344	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
345	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
346	NH₂CNH⁺	cyanamide, cn protonated
347	NH₃CN⁺	cyanamide, amine protonated
348	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
349	CH₃CH₂NH₂	Ethylamine
350	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
351	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
352	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
353	Li₂O	dilithium oxide	¹Σ_g	D_∞h
354	Na₂O	disodium monoxide	¹Σ_g	Linear
355	Na₂O	disodium monoxide	¹A₁	C_2v
356	Na₂S	Sodium sulfide
357	Na₂S	Sodium sulfide
358	NaO₂	Sodium superoxide
359	NCO	isocyanato radical	²Π	C_∞v
360	N₂O	Nitrous oxide	¹Σ	C_∞v
361	N₂O^-	Nitrous oxide anion	²A^'	C_s
362	OCS	Carbonyl sulfide	¹Σ	C_∞v
363	CS₂	Carbon disulfide	¹Σ_g	D_∞h
364	OCSe	Carbonyl selenide	¹Σ	C_∞v
365	SCSe	Carbon sulfide selenide
366	NO₂	Nitrogen dioxide	²A₁	C_2v
367	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
368	NSO	sulfinyl amidogen
369	SNO	Nitrogen oxide sulfide
370	O₃	Ozone	¹A₁	C_s
371	S₃	Sulfur trimer	¹A₁	C_2v
372	S₃	Sulfur trimer
373	SeO₂	Selenium dioxide	¹A₁	C_2v
374	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
375	HCCO	ketenyl radical	²Π	C_∞v
376	HCCO	ketenyl radical	²A^"	C_s
377	HNCS	Isothiocyanic acid
378	HSCN	thiocyanic acid	¹A^'	C_s
379	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
380	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
381	HOCO	Hydrocarboxyl radical	¹A^'	cis
382	HOCO	Hydrocarboxyl radical	¹A^'	trans
383	O₃H⁺	protonated ozone	¹A^'	C_s
384	O₃H⁺	protonated ozone
385	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
386	C₂H₂O	Oxirene	¹A₁	C_2v
387	CH₂CO	Ketene	¹A₁	C_2v
388	CH₂CS	Thioketene
389	Be(OH)₂	Beryllium hydroxide
390	H₂COO	Dioxymethyl radical	²A^'	C_s
391	H₂COO⁺	dioxymethyl cation	²A^'	C_s
392	HCOOH	Formic acid	¹A^'	C_s
393	HCOOH	Formic acid
394	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
395	BH₃CO	Borane carbonyl	¹A₁	C_3v
396	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
397	CH₂COH⁺	ketene, protonated
398	CH₂NOH	formaldoxime	¹A^'	C_s
399	CH₃NO	nitrosomethane	¹A^'	C_s
400	CNOH₃	1,2-oxaziridine	¹A	C₁
401	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
402	CHSNH₂	thioformamide
403	NHCHSH	Methanimidothioic acid
404	C₂H₄O	Ethylene oxide	¹A₁	C_2v
405	C₂H₄O⁺	ethylene oxide cation
406	CH₃CHO	Acetaldehyde	¹A^'	C_s
407	CH₃CHO⁺	acetaldehyde cation
408	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
409	C₂H₄S	Thiirane	¹A₁	C_2v
410	CH₂CHSH	Ethenethiol
411	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
412	NH₂CHOH⁺	Formamide, O-protonated
413	CH₃SSH	Hydrogen methyl disulfide
414	HSCH₂SH	Methanedithiol
415	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
416	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
417	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
418	NH₂CH₂OH	aminomethanol
419	CH₃CH₂SH	ethanethiol	¹A^'	C_s
420	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
421	CH₃SCH₃⁺	dimethyl sulfide cation
422	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
423	CNF	iso cyanogen fluoride	¹Σ	C_∞v
424	BrCN	Cyanogen bromide	¹Σ	C_∞v
425	BF₂	Boron difluoride radical	²A₁	C_2v
426	FNS	Thionitrosyl fluoride	¹A^'	C_s
427	FSN	Thiazyl fluoride	¹A^'	C_s
428	OPCl	Phosphorus oxychloride
429	CF₂	Difluoromethylene	¹A₁	D_∞h
430	CFCl	chlorofluoromethylene	¹A^'	C_s
431	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
432	CBr₂	dibromomethylene	¹A₁	C_2v
433	CBr₂	dibromomethylene	³B₁	C_2v
434	OClO^-	Chlorine dioxide anion	¹A^'	C_s
435	ClSO	Sulfur chloride oxide	²A^"	C_s
436	BrOO	Bromine dioxide
437	OBrO	Bromine dioxide radical	²B₁	C_2v
438	PF₂	Phosphorus difluoride
439	FClO	chlorosyl fluoride	¹A^'	C_s
440	ClOF	Chlorine hypofluorite	¹A^'	C_s
441	SF₂	sulfur difluoride	¹A₁	C_2v
442	SFCl	Sulfur chloride fluoride
443	HCCBr	bromoacetylene	¹Σ	C_∞v
444	CHCl₂	dichloromethyl radical	²B₁	C_2v
445	CHCl₂	dichloromethyl radical	²A^'	C_s
446	CHF₂⁺	difluoromethyl cation
447	CHFCl	Chlorofluoromethyl radical
448	CHFCl⁺	Chlorofluoromethyl cation
449	CHCl₂⁺	dichloromethyl cation
450	CHBr₂	dibromomethyl radical
451	NHF₂	difluoramine
452	NHCl₂	dichloroamine
453	SiH₂F₂	difluorosilane
454	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
455	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
456	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
457	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
458	CH₂FOH	fluoromethanol
459	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
460	CHClCH₃	1-chloroethyl radical	²A	C₁
461	C₄	Carbon tetramer	³Σ_g	D_∞h
462	C₄	Carbon tetramer
463	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
464	C₄H₄	Tetrahedrane
465	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
466	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
467	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
468	C₂N₂	Cyanogen	¹Σ_g	D_∞h
469	As₄	Arsenic tetramer	¹A₁	T_d
470	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
471	H₂CNCN	cyanamide, methylene
472	HNCCNH	Ethenediimine
473	CH₃N₃	methyl azide	¹A^'	C_s
474	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
475	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
476	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
477	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
478	H₂NCHCHNH₂	diaminoethylene
479	CH₇N₃	triaminomethane
480	C₄H₈	cyclobutane	¹A₁	D_2d
481	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
482	N(SiH₃)₃	trisilylamine
483	(CH₃)₃NH⁺	protonated trimethyl amine
484	C₃O	Tricarbon monoxide	¹Σ	C_∞v
485	ONNO	NO dimer	¹A_g	trans C2H
486	ONNO	NO dimer	¹A₁	cis C2V
487	S₂N₂	Disulfur dinitride	¹A_G	D_2h
488	CS₃^--	Carbonotrithioate
489	NO₃^-	nitrate anion	¹A₁^'	D_3h
490	SO₃	Sulfur trioxide	¹A₁^'	D_3h
491	S₄	Sulfur tetramer
492	S₄	Sulfur tetramer
493	S₄	Sulfur tetramer
494	NH₂NO₂	nitramide	¹A^'	C_s
495	C₃H₂O	Propadienal
496	C₃H₂O	Propadienal
497	CH₃NCO	methylisocyante
498	HOCH₂CN	cyanomethanol
499	CH₃NO₂	Methane, nitro-	¹A^'	C_s
500	H₃AlO₃	Aluminum hydroxide

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H^-

Hydrogen atom anion

²S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

H₂⁺

Hydrogen cation

²Σ_g⁺

D_∞h

Helium atom

¹S

K_h

Helium atom

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Li^-

Lithium atom anion

¹S

K_h

LiH⁺

lithium hydride cation

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

ZnH⁺

Zinc, protonated

BeH₂⁺

Beryllium dihydride cation

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Boron monohydride

¹Σ

C_∞v

Boron monohydride

³Π

C_∞v

ScH⁺

Scandium monohydride cation

²Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Si^-

Silicon atom anion

⁴S

K_h

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

GeH

germylidene

²Π

C_∞v

GeH⁺

Germaniun monohyrdide cation

¹Σ

C_∞v

CH₂^-

methylene anion

²B₁

C_2v

GeH₂

germylene

¹A₁

C_2v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄^-

Methane anion

²A₁

T_d

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Phosphorus atom

⁴S

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

NH₃^-

Ammonia anion

²A₁

C_3v

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

NH₄

Ammonium radical

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

Oxygen atom

³S

K_h

Sulfur atom

³P

K_h

Sulfur atom

S^-

Sulfur atom anion

²P

K_h

S⁺

Sulfur atom cation

⁴S

K_h

Selenium atom

³P

K_h

Se^-

Selenium atom anion

²P

K_h

Se⁺

Selenium atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

HSe

Selenium monohydride

²Π

C_∞v

HSe^-

selenium monohydride anion

¹Σ

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

H₂O

Water

¹A₁

C_2v

H₂O^-

water anion

²A₁

C_2v

H₂O^-

water anion

²A^'

C_s

H₂O⁺

water cation

²B₁

C_2v

HDO

Water-d1

¹A₁

C_2v

H₂S

Hydrogen sulfide

¹A₁

C_2v

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

H₃O⁺

hydronium cation

¹A₁

C_3v

H₃S⁺

Sulfonium cation

¹A₁

C_3v

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

Fluorine atom

²P

K_h

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

Cl^-

Chlorine atom anion

¹S

K_h

Cl⁺

Chlorine atom cation

³P

K_h

Cl⁺

Chlorine atom cation

¹D

K_h

Bromine atom

²P

K_h

Br^-

Bromine atom anion

¹S

K_h

100

Br⁺

Bromine atom cation

³P

K_h

101

HCl⁺

hydrogen chloride cation

²Π

C_∞v

102

HBr

hydrogen bromide

¹Σ

C_∞v

103

HBr^-

hydrogen bromide anion

²Σ

C_∞v

104

HBr⁺

hydrogen bromide cation

²Π

C_∞v

105

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

106

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

107

Neon atom

¹S

K_h

108

Neon atom

109

Krypton atom

¹S

K_h

110

Kr⁺

Krypton cation

²P

K_h

111

HeLi⁺

Helium Lithium cation

112

ArH⁺

Argon hydride cation

¹Σ

C_∞v

113

KrH⁺

Protonated Krypton

¹Σ

C_∞v

114

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

115

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

116

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

117

BeMg

Beryllium Magnesium

¹Σ

C_∞v

118

LiAl

Lithium Aluminum

119

NaAl

Sodium aluminum

¹Σ

C_∞v

120

BAl

Boron Aluminum

³Σ

C_∞v

121

BGa

Boron Gallium

³Σ

C_∞v

122

AlGa

Aluminum Gallium

³Σ

C_∞v

123

AlGa

Aluminum Gallium

¹Σ

C_∞v

124

HBBH

Diborane(2)

³Σ_G

D_∞h

125

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

126

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

127

B₂H₆

Diborane

¹A_g

D_2h

128

B₂H₆⁺

Diborane cation

129

BSi

Boron silicide

⁴Σ

C_∞v

130

BSi

Boron silicide

²Σ

C_∞v

131

SiGe

Silicon Germanium

132

C₂H

Ethynyl radical

²Σ

C_∞v

133

C₂H^-

Ethynyl anion

¹Σ

C_∞v

134

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

135

C₂H₂⁺

acetylene cation

136

H₂CC^-

vinylidene anion

137

HCCH^-

acetylene anion

138

HCCH^-

acetylene anion

139

CH₃Li

methyl lithium

¹A₁

C_3v

140

CH₂BH

methyleneborane

¹A₁

C_2v

141

C₂H₃

vinyl

²A^'

C_s

142

C₂H₃^-

vinyl anion

¹A^'

C_s

143

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

144

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

145

C₂H₄⁺

Ethylene cation

²B₃

D₂

146

Si₂H₄

Disilene

147

CH₃BH₂

methylborane

¹A^'

C_s

148

C₂H₅

Ethyl radical

²A^'

C_s

149

C₂H₆

Ethane

¹A_1g

D_3d

150

Si₂H₆

disilane

¹E_u

D_3d

151

LiP

Lithium monophosphide

152

LiP

Lithium monophosphide

153

MgN

Magnesium Nitride

154

MgN

Magnesium Nitride

155

Boron monophosphide

³Π

C_∞v

156

Boron monophosphide

¹Σ

C_∞v

157

GaP

Gallium monophosphide

³Σ

C_∞v

158

GaP

Gallium monophosphide

¹Σ

C_∞v

159

Cyano radical

²Σ

C_∞v

160

SiP

Silicon monophosphide

²Π

C_∞v

161

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

162

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

163

HCN

Hydrogen cyanide

¹Σ

C_∞v

164

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

165

HNC⁺

hydrogen isocyanide cation

166

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

167

LiNH₂

lithium amide

168

HBNH

Boranimine

¹Σ

C_∞v

169

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

170

CH₂NH

Methanimine

¹A^'

C_s

171

CH₂NH⁺

Methanimine cation

172

CHNH₂

aminomethylene

173

CHNH₂⁺

Aminocarbene cation

174

BH₂NH₂

Boranamine

175

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

176

N₂H₄

Hydrazine

¹A

C₂

177

CH₃NH₂

methyl amine

¹A^'

C_s

178

SiH₃NH₂

Silane, amino

179

N₂H₅⁺

protonated hydrazine

¹A^'

C_s

180

BH₃PH₃

borane phosphine

181

BH₃NH₃

borane ammonia

¹A₁

C_3v

182

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

183

CH₃PH₃⁺

methyl phosphine, protonated

¹A₁

C_3v

184

N₂H₇⁺

ammonia ammonium dimer

185

boron monoxide

²Σ

C_∞v

186

Carbon monoxide

¹Σ

C_∞v

187

CO^-

carbon monoxide anion

²Π

C_∞v

188

CO⁺

carbon monoxide cation

²Σ

C_∞v

189

GeO

Germanium monoxide

¹Σ

C_∞v

190

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

191

GeS

Germanium monosulfide

¹Σ

C_∞v

192

SiSe

Silicon Monoselenide

193

SiSe⁺

Silicon Monoselenide cation

194

Nitric oxide

²Π

C_∞v

195

NO^-

nitric oxide anion

³Σ

C_∞v

196

NO⁺

nitric oxide cation

¹Σ

C_∞v

197

Mononitrogen monosulfide

²Π

C_∞v

198

Phosphorus monoxide

²Π

C_∞v

199

phosphorus sulfide

²Σ

C_∞v

200

NSe

Nitrogen monoselenide

²Π

C_∞v

201

AsS

Arsenic monosulfide

²Π

C_∞v

202

PSe

Phosphorus monoselenide

²Π

C_∞v

203

AsSe

Arsenic monoselenide

²Π

C_∞v

204

O₂^-

oxygen diatomic anion

²Π

D_∞h

205

SO⁺

sulfur monoxide cation

²Π

C_∞v

206

S₂

Sulfur diatomic

³Σ_g

D_∞h

207

SeO

Selenium monoxide

³Σ

C_∞v

208

LiOH

lithium hydroxide

¹Σ

C_∞v

209

BeOH

beryllium monohydroxide

²A^'

C_s

210

HBO

Boron hydride oxide

¹Σ

C_∞v

211

COH

Hydroxymethylidyne

212

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

213

HCO^-

formyl anion

¹A^'

C_s

214

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

215

NOH

Hydroxyimidogen

³A^"

C_s

216

NOH⁺

O-protonated nitric oxide

²A^'

C_s

217

HO₂⁺

Hydroperoxy cation

³A^"

C_s

218

HSO⁺

Sulfur Monoxide, S-protonated

219

SOH

Sulfur Hydroxide

220

SOH⁺

Sulfur Monoxide, protonated

221

H₂CO

Formaldehyde

¹A₁

C_2v

222

H₂CO^-

formaldehyde anion

²A^'

C_s

223

H₂CO^-

formaldehyde anion

224

H₂CO⁺

formaldehyde cation

²B₂

C_2v

225

H₂CS

Thioformaldehyde

¹A₁

C_2v

226

H₂CS^-

thioformaldehyde anion

227

H₂CS^-

thioformaldehyde anion

228

H₂CS⁺

thioformaldehyde cation

²B₂

C_2v

229

H₂NO

nitroxide

²B₁

C_2v

230

H₂NO

nitroxide

²A^'

C_s

231

H₂O₂

Hydrogen peroxide

¹A

C₂

232

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

233

H₂OO

water oxide

234

HOSH

hydrogen thioperoxide

235

H₂S₂

Disulfane

¹A

C₂

236

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

237

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

238

CH₃O^-

methoxy anion

¹A₁

C_3v

239

CH₃O⁺

Methoxy cation

³A₁

C_3v

240

H₂CSH⁺

Thioformaldehyde, protonated

¹A^'

C_s

241

NH₂OH

hydroxylamine

¹A^'

C_s

242

NH₂OH⁺

Hydroxylamine cation

243

NH₂SH

Thiohydroxylamine

244

NH₂SH

Thiohydroxylamine

245

NH₃S

sulfidoazane

246

CH₃OH

Methyl alcohol

¹A^'

C_s

247

CH₃SH

Methanethiol

¹A^'

C_s

248

CH₃SH⁺

Methanethiol cation

²A^"

C_s

249

SiH₃OH

silanol

250

NH₂OH₂⁺

protonated hydroxylamine

251

NH₃OH⁺

N-protonated hydroxylamine

252

H₂OH₂O

water dimer

¹A^'

C_s

253

CH₃SH₂⁺

protonated methylsulfide

¹A^'

C_s

254

H₅O₂⁺

Dihydroxonium ion

¹A

C₂

255

LiF

lithium fluoride

¹Σ

C_∞v

256

LiCl

lithium chloride

¹Σ

C_∞v

257

NaF⁺

sodium fluoride cation

²Σ

C_∞v

258

LiBr

Lithium Bromide

¹Σ

C_∞v

259

LiF⁺

lithium fluoride cation

²Π

C_∞v

260

TiCl

Titanium Monochloride

⁴Σ

C_∞v

261

ZnF

Zinc monofluoride

²Σ

C_∞v

262

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

263

AlBr

Aluminum monobromide

264

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

265

Fluoromethylidyne

²Π

C_∞v

266

SiF

silicon monofluoride

²Π

C_∞v

267

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

268

CBr

Carbon monobromide

²Π

C_∞v

269

GeF⁺

Germanium monofluoride cation

¹Σ

C_∞v

270

GeCl⁺

Germanium monochloride cation

271

SiBr

Silicon monobromide

²Π

C_∞v

272

SiBr⁺

Silicon monobromide cation

273

NCl

nitrogen monochloride

³Σ

C_∞v

274

AsCl

Arsenic monochloride

³Σ

C_∞v

275

PBr

Phosphorus monobromide

276

Oxygen monofluoride

²Π

C_∞v

277

SCl

sulfur monochloride

²Π

C_∞v

278

SeCl

Selenium monochloride

²Π

C_∞v

279

BrCl

Bromine monochloride

¹Σ

C_∞v

280

F₂

Fluorine diatomic

¹Σ_g

D_∞h

281

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

282

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

283

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

284

ClF⁺

clorine monofluoride cation

²Π

C_∞v

285

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

286

BrF

Bromine monofluoride

¹Σ

C_∞v

287

Br₂

Bromine diatomic

¹Σ_g

D_∞h

288

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

289

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

290

HCF

Fluoromethylene

¹A^'

C_s

291

HCF

Fluoromethylene

³A^"

C_s

292

HOCl

hypochlorous acid

¹A^'

C_s

293

HOCl⁺

hypochlorous acid cation

294

F₂H⁺

Fluorine, protonated

¹A^'

C_s

295

ClFH⁺

Chlorine fluoride, F-protonated

296

FClH⁺

Chlorine fluoride, Cl-protonated

297

Cl₂H⁺

Chlorine, protonated

¹A^'

C_s

298

CH₂Br

bromomethyl radical

299

CH₂F

fluoromethyl radical

²A

C_s

300

CH₂F⁺

fluoromethyl cation

301

CH₂Cl⁺

chloromethyl cation

302

CH₂Cl

chloromethyl radical

²A^'

C_s

303

CH₂Cl

chloromethyl radical

²B₁

C_2v

304

NH₂Cl

chloramine

¹A^'

C_s

305

CH₃F⁺

methyl fluoride cation

306

CH₃F

Methyl fluoride

¹A₁

C_3v

307

CH₃Cl

Methyl chloride

¹A₁

C_3v

308

SiH₃Cl

chlorosilane

¹A₁

C₁

309

CH₃Br

methyl bromide

¹A₁

C_3v

310

SiH₃Br

bromosilane

¹A₁

C_3v

311

CH₃ClH⁺

methyl chloride, protonated

312

NH₄Cl

Ammonium chloride

313

LiNe⁺

Lithium Neon cation

314

Ar₂

Argon diatomic

¹S_g

D_∞h

315

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

316

C₃

carbon trimer

¹Σ_g

D_∞h

317

C₃

carbon trimer

¹A₁

C_2v

318

C₃H₄

cyclopropene

¹A₁

C_2v

319

CH₃CCH

propyne

¹A^'

C_3v

320

CH₂CHCH₃

Propene

¹A^'

C_s

321

C₃H₇

n-Propyl radical

²A^"

C₁

322

C₃H₇⁺

cyclopropane, protonated

323

CH₃CHCH₃⁺

Isopropyl cation

¹A

C₂

324

C₃H₈

Propane

¹A₁

C_2v

325

Si₃H₈

trisilane

326

LiCN

lithium cyanide

¹Σ

C*V LiCN

327

ZnCN

Zinc monocyanide

²Σ

C_∞v

328

ZnNC

Zinc isocyanide

²Σ

C_∞v

329

N₃

azide radical

²Π_g

D_∞h

330

N₃⁺

azide cation

³Σ_g

D_∞h

331

N₃⁺

azide cation

³Σ

C_∞v

332

HN₃⁺

Hydrazoic acid cation

333

HNCNH

diiminomethane

¹A

C₂

334

HNNNH⁺

1,2-Triazadienium

335

NH₂NN⁺

hydrazoic acid, protonated

336

CH₃CN

Acetonitrile

¹A₁

C_3v

337

CH₃CN^-

acetonitrile anion

²E

C_3v

338

CHNCH₂

2H-Azirine

339

CHNHCH

1H-Azirine

340

H₂CCNH

Ethenimine

341

H₂CNCH

methyleneaminomethylene

342

HCCNH₂

Ethynamine

343

HCNCH₂⁺

2H-Azirine cation

344

HNCNH₂⁺

diiminomethane, protonated

¹A^'

C_s

345

NCNH₃⁺

Cyanamide, protonated

¹A₁

C_3v

346

NH₂CNH⁺

cyanamide, cn protonated

347

NH₃CN⁺

cyanamide, amine protonated

348

C₂H₆N⁺

aziridine, protonated

¹A₁

C_2v

349

CH₃CH₂NH₂

Ethylamine

350

CH₃PHCH₃

dimethylphosphine

¹A^'

C_s

351

(CH₃)₂NH₂⁺

dimethylammonium cation

¹A₁

C_2v

352

CH₃CH₂NH₃⁺

ethylamine, protonated

¹A^'

C_s

353

Li₂O

dilithium oxide

¹Σ_g

D_∞h

354

Na₂O

disodium monoxide

¹Σ_g

Linear

355

Na₂O

disodium monoxide

¹A₁

C_2v

356

Na₂S

Sodium sulfide

357

Na₂S

Sodium sulfide

358

NaO₂

Sodium superoxide

359

NCO

isocyanato radical

²Π

C_∞v

360

N₂O

Nitrous oxide

¹Σ

C_∞v

361

N₂O^-

Nitrous oxide anion

²A^'

C_s

362

OCS

Carbonyl sulfide

¹Σ

C_∞v

363

CS₂

Carbon disulfide

¹Σ_g

D_∞h

364

OCSe

Carbonyl selenide

¹Σ

C_∞v

365

SCSe

Carbon sulfide selenide

366

NO₂

Nitrogen dioxide

²A₁

C_2v

367

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

368

NSO

sulfinyl amidogen

369

SNO

Nitrogen oxide sulfide

370

O₃

Ozone

¹A₁

C_s

371

S₃

Sulfur trimer

¹A₁

C_2v

372

S₃

Sulfur trimer

373

SeO₂

Selenium dioxide

¹A₁

C_2v

374

SeO₂⁺

Selenium dioxide cation

²A₁

C_2v

375

HCCO

ketenyl radical

²Π

C_∞v

376

HCCO

ketenyl radical

²A^"

C_s

377

HNCS

Isothiocyanic acid

378

HSCN

thiocyanic acid

¹A^'

C_s

379

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

380

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

381

HOCO

Hydrocarboxyl radical

¹A^'

cis

382

HOCO

Hydrocarboxyl radical

¹A^'

trans

383

O₃H⁺

protonated ozone

¹A^'

C_s

384

O₃H⁺

protonated ozone

385

SO₂H⁺

protonated sulfur dioxide

¹A^'

C_s

386

C₂H₂O

Oxirene

¹A₁

C_2v

387

CH₂CO

Ketene

¹A₁

C_2v

388

CH₂CS

Thioketene

389

Be(OH)₂

Beryllium hydroxide

390

H₂COO

Dioxymethyl radical

²A^'

C_s

391

H₂COO⁺

dioxymethyl cation

²A^'

C_s

392

HCOOH

Formic acid

¹A^'

C_s

393

HCOOH

Formic acid

394

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

395

BH₃CO

Borane carbonyl

¹A₁

C_3v

396

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

397

CH₂COH⁺

ketene, protonated

398

CH₂NOH

formaldoxime

¹A^'

C_s

399

CH₃NO

nitrosomethane

¹A^'

C_s

400

CNOH₃

1,2-oxaziridine

¹A

C₁

401

HOCHNH

hydroxymethylimine

¹A^'

CS H all up

402

CHSNH₂

thioformamide

403

NHCHSH

Methanimidothioic acid

404

C₂H₄O

Ethylene oxide

¹A₁

C_2v

405

C₂H₄O⁺

ethylene oxide cation

406

CH₃CHO

Acetaldehyde

¹A^'

C_s

407

CH₃CHO⁺

acetaldehyde cation

408

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

409

C₂H₄S

Thiirane

¹A₁

C_2v

410

CH₂CHSH

Ethenethiol

411

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

412

NH₂CHOH⁺

Formamide, O-protonated

413

CH₃SSH

Hydrogen methyl disulfide

414

HSCH₂SH

Methanedithiol

415

C₂H₄OH⁺

ethylene oxide, protonated

¹A^'

C_s

416

CH₃CHOH

1-hydroxy-ethyl radical

²A

C₁

417

CH₃CHOH⁺

acetaldehyde, protonated

¹A^'

C_s

418

NH₂CH₂OH

aminomethanol

419

CH₃CH₂SH

ethanethiol

¹A^'

C_s

420

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

421

CH₃SCH₃⁺

dimethyl sulfide cation

422

CH₃SeCH₃

dimethylselenide

¹A₁

C_2v

423

CNF

iso cyanogen fluoride

¹Σ

C_∞v

424

BrCN

Cyanogen bromide

¹Σ

C_∞v

425

BF₂

Boron difluoride radical

²A₁

C_2v

426

FNS

Thionitrosyl fluoride

¹A^'

C_s

427

FSN

Thiazyl fluoride

¹A^'

C_s

428

OPCl

Phosphorus oxychloride

429

CF₂

Difluoromethylene

¹A₁

D_∞h

430

CFCl

chlorofluoromethylene

¹A^'

C_s

431

SiF₂⁺

Silicon difluoride cation

²A₁

C_2v

432

CBr₂

dibromomethylene

¹A₁

C_2v

433

CBr₂

dibromomethylene

³B₁

C_2v

434

OClO^-

Chlorine dioxide anion

¹A^'

C_s

435

ClSO

Sulfur chloride oxide

²A^"

C_s

436

BrOO

Bromine dioxide

437

OBrO

Bromine dioxide radical

²B₁

C_2v

438

PF₂

Phosphorus difluoride

439

FClO

chlorosyl fluoride

¹A^'

C_s

440

ClOF

Chlorine hypofluorite

¹A^'

C_s

441

SF₂

sulfur difluoride

¹A₁

C_2v

442

SFCl

Sulfur chloride fluoride

443

HCCBr

bromoacetylene

¹Σ

C_∞v

444

CHCl₂

dichloromethyl radical

²B₁

C_2v

445

CHCl₂

dichloromethyl radical

²A^'

C_s

446

CHF₂⁺

difluoromethyl cation

447

CHFCl

Chlorofluoromethyl radical

448

CHFCl⁺

Chlorofluoromethyl cation

449

CHCl₂⁺

dichloromethyl cation

450

CHBr₂

dibromomethyl radical

451

NHF₂

difluoramine

452

NHCl₂

dichloroamine

453

SiH₂F₂

difluorosilane

454

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

455

CH₂BrF

Methane, bromofluoro-

¹A^'

C_s

456

CH₂BrCl

Methane, bromochloro-

¹A^'

C_s

457

SiH₂Cl₂

dichlorosilane

¹A₁

C_2v

458

CH₂FOH

fluoromethanol

459

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

460

CHClCH₃

1-chloroethyl radical

²A

C₁

461

C₄

Carbon tetramer

³Σ_g

D_∞h

462

C₄

Carbon tetramer

463

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

464

C₄H₄

Tetrahedrane

465

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

466

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

467

CH₃CH₂CH₂CH₃

Butane

¹A

Gauche

468

C₂N₂

Cyanogen

¹Σ_g

D_∞h

469

As₄

Arsenic tetramer

¹A₁

T_d

470

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

471

H₂CNCN

cyanamide, methylene

472

HNCCNH

Ethenediimine

473

CH₃N₃

methyl azide

¹A^'

C_s

474

NH₂CCNH₂

Diaminoacetylene

¹A

C₂

475

NH₂CH₂CN

Aminoacetonitrile

¹A^'

C_s

476

CH₃NHN₂⁺

methyl azide, protonated

¹A

C₁

477

C₄H₆

Bicyclo[1.1.0]butane

¹A₁

C_2v

478

H₂NCHCHNH₂

diaminoethylene

479

CH₇N₃

triaminomethane

480

C₄H₈

cyclobutane

¹A₁

D_2d

481

NH₂CH₂CH₂CH₃

1-Propanamine

¹A^'

C_s

482

N(SiH₃)₃

trisilylamine

483

(CH₃)₃NH⁺

protonated trimethyl amine

484

C₃O

Tricarbon monoxide

¹Σ

C_∞v

485

ONNO

NO dimer

¹A_g

trans C2H

486

ONNO

NO dimer

¹A₁

cis C2V

487

S₂N₂

Disulfur dinitride

¹A_G

D_2h

488

CS₃^--

Carbonotrithioate

489

NO₃^-

nitrate anion

¹A₁^'

D_3h

490

SO₃

Sulfur trioxide

¹A₁^'

D_3h

491

S₄

Sulfur tetramer

492

S₄

Sulfur tetramer

493

S₄

Sulfur tetramer

494

NH₂NO₂

nitramide

¹A^'

C_s

495

C₃H₂O

Propadienal

496

C₃H₂O

Propadienal

497

CH₃NCO

methylisocyante

498

HOCH₂CN

cyanomethanol

499

CH₃NO₂

Methane, nitro-

¹A^'

C_s

500

H₃AlO₃

Aluminum hydroxide

501

NH₂CONH₂

Urea

¹A₁

C_2v

502

NH₂COOH₂⁺

Carbamic acid, O-protonated

¹A

C₁

503

NH₃COOH⁺

protonated Carbamic acid

¹A^'

C_s

504

CH₂C(OH)NH₂

1-amino vinyl alchohol

505

CH₃C(OH)=NH

Ethaninidic acid

506

CH₃CHNOH

Acetaldoxime

¹A^'

CS cis

507

HCONHCH₃

N-methylformamide

¹A^'

CS cis

508

HCONHCH₃

N-methylformamide

¹A^'

CS trans

509

CH₃CSNH₂

Ethanethioamide

510

CH₅N₂O⁺

urea, N-protonated

¹A^'

C_s

511

H₂NCOHNH₂⁺

urea, protonated

¹A^'

C_s

512

C₃H₆O

Acetone enol

¹A^'

C_s

513

CH₃CH₂CHO

Propanal

¹A^'

C_s

514

Li₂F₂

Lithium fluoride dimer

515

FNO₂

Nitryl fluoride

¹A₁

C_2v

516

FONO

Nitrosyl hypofluorite

¹A^'

CS cis

517

CF₂O⁺

Carbonic difluoride cation

518

BF₃⁺

boron trifluoride cation

519

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

520

CF₂Cl

difluorochloromethyl radical

521

SiF₃

Silicon trifluoride radical

²A₁

C_3v

522

SiF₃⁺

Silicon trifluoride cation

¹A₁^'

D_3h

523

CFCl₂

dichlorofluoromethyl radical

524

CBr₃

tribromomethyl radical

525

ClO₂F

Chloryl fluoride

¹A^'

C_s

526

SSCl₂

Thiothionyl chloride

527

NCl₃

nitrogen trichloride

¹A₁

C_3v

528

AsCl₃

Arsenous trichloride

¹A₁

C_3v

529

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

530

ClF₃

Chlorine trifluoride

¹A₁^'

D_3h

531

ClF₃

Chlorine trifluoride

¹A₁

C_2v

532

HClO₃

Chloric Acid

¹A^'

C_s

533

HClO₃

Chloric Acid

¹A

C₁

534

SiHF₃

trifluorosilane

535

CHFClBr

fluorochlorobromomethane

¹A

C₁

536

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

537

CHBr₂F

dibromofluoromethane

538

NF₃H⁺

protonated nitrogen trifluoride

¹A₁

C_3v

539

AsF₃H⁺

Arsenic trifluoride, protonated

540

C₂H₂ClF

1-chloro-1-fluoroethylene

¹A^'

C_s

541

CHFCHCl

(E)-1-chloro-2-fluoroethene

¹A^'

C_s

542

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

¹A^'

C_s

543

CHBrCHBr

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

544

CHBrCHBr

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

545

C₂H₄F₂

1,2-difluoroethane

¹A_g

C2H anti

546

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

547

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

¹A^'

C_s

548

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

¹A

C₁

549

CH₂CHCH₂F

Allyl Fluoride

550

CH₃CHCHF

trans-1-Fluoro-1-propene

551

CH₂ClCH₂OH

2-Chloroethanol

¹A^'

C_s

552

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

¹A

C₁

553

CH₂FCH₂CH₃

1-Fluoropropane

¹A^'

C_s

554

CH₂FCH₂CH₃

1-Fluoropropane

555

CH₃CHFCH₃

2-Fluoropropane

¹A^'

C_s

556

B₅H₉

pentaborane9

557

C₅H₄

pentatetraene

558

C₅H₆

Propellane

¹A₁

D_3h

559

C₅H₈

Bicyclo[1.1.1]pentane

560

C₃H₄N₂

1H-Imidazole

¹A^'

C_s

561

C₃H₄N₂

2H-Imidazole

¹A₁

C_2v

562

C₃H₄N₂

4H-Imidazole

¹A^'

C_s

563

C₄H₅N

Pyrrole

¹A₁

C_2v

564

C₄H₆N⁺

pyrrole, alpha-protonated

¹A^'

C_s

565

C₄H₆N⁺

pyrrole, beta-protonated

¹A^'

C_s

566

C₄H₆N⁺

pyrrole, protonated

¹A₁

C_2v

567

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

568

MgCO₃

Magnesium Carbonate

¹A₁

C_2v

569

BeCO₃

Beryllium Carbonate

¹A₁

C_2v

570

CHOOCHO

diformyl ether

571

CH₃COCCH

3-butyn-2-one

¹A^'

C_s

572

C₄H₄Se

selenophene

573

CH₃SO₂NH₂

methanesulfonamide

¹A^'

C_s

574

CH₂CHSCHCH₂

Divinyl sulfide

575

HCOOC₂H₅

Ethyl formate

¹A^'

C_s

576

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

577

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

578

C₄H₁₀O

Methyl propyl ether

¹A

C₁

579

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

¹A^'

C_s

580

C₄H₉SH

1-Butanethiol

581

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

582

CBrCl₂F

bromodichlorofluoromethane

583

CBr₂ClF

dibromochlorofluoromethane

584

CBr₂Cl₂

dibromodichloromethane

¹A₁

C_2v

585

CBr₃Cl

tribromochloromethane

¹A₁

C_3v

586

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

587

SeF₄

Selenium tetrafluoride

588

CH₂ClCCCl

1,3-dichloropropyne

589

CHCl₂CCH

3,3-dichloropropyne

590

PF₃CH₂

phosphorane, trifluoromethylene-

¹A^'

C_s

591

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

¹A

C₁

592

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

593

C₂H₂N₂O

Furazan

594

NH₃BF₃

Amminetrifluoroboron

¹A₁

C_3v

595

C₆H₆

Prismane

596

C₆H₆

1,2,4,5-Hexatetraene

¹A_g

C_2h

597

C₆H₆

Benzvalene

¹A₁

C_2v

598

C₆H₆

Dewar Benzene

599

N₃P₃

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

600

C₃H₂O₃

vinylene carbonate

601

C₅H₆O

2H-Pyran

602

C₅H₆O

Pentadienal

603

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

604

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

605

C₄F₂

difluorobutadiyne

606

CF₂CCl₂

difluorodichloroethylene

¹A₁

C_2v

607

CFClCClF

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

¹A_G

C_2h

608

CFClCFCl

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

¹A₁

C_2v

609

SiF₅^-

silicon pentafluoride anion

610

CHCl₂CHCl₂

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

611

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

612

C₄H₈O₂

Butanoic acid

¹A

C₁

613

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

614

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

615

CH(CN)₃

tricyanomethane

616

C₆H₁₂O

Oxepane

617

F₂CCCF₂

tetrafluoroallene

618

CF₃COO^-

trifluoro acetate anion

¹A^'

C_s

619

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

620

S₄N₄

Tetrasulfur tetranitride

621

C₆H₄Cl₂

1,4-dichlorobenzene

622

C₆H₅NO

nitrosobenzene

¹A^'

C_s

623

C₃F₆

hexafluoropropene

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He^-	Helium atom anion	he-
10	HeH	Helium hydride	heh
11	Li	Lithium atom	li
12	Li⁺	Lithium atom cation	li+
13	Na	Sodium atom	na
14	Na^-	Sodium atom anion	na-
15	Na⁺	Sodium atom cation	na+
16	K	Potassium atom	k
17	K^-	Potassium atom anion	k-
18	K⁺	Potassium atom cation	k+
19	Cu	Copper atom	cu
20	Cu^-	Copper atom anion	cu-
21	Cu⁺	Copper atom cation	cu+
22	LiH	Lithium Hydride	lih
23	LiH^-	lithium hydride anion	lih-
24	NaH	sodium hydride	nah
25	NaH^-	sodium hydride anion	nah-
26	NaH⁺	sodium hydride cation	nah+
27	KH	Potassium hydride	kh
28	KH⁺	Potassium hydrogen cation	kh+
29	CuH	Copper monohydride	cuh
30	Be	Beryllium atom	be
31	Be^-	Beryllium atom anion	be-
32	Be⁺	Beryllium atom cation	be+
33	Mg	Magnesium atom	mg
34	Mg^-	Magnesium atom anion	mg-
35	Mg⁺	Magnesium atom cation	mg+
36	Ca	Calcium atom	ca
37	Ca^-	Calcium atom anion	ca-
38	Ca⁺	Calcium atom cation	ca+
39	Zn	Zinc atom	zn
40	Zn^-	Zinc atom anion	zn-
41	Zn⁺	Zinc atom cation	zn+
42	BeH	beryllium monohydride	beh
43	BeH^-	berylium monohydride anion	beh-
44	BeH⁺	beryllium monohydride cation	beh+
45	MgH^-	magnesium monohydride anion	mgh-
46	MgH⁺	magnesium monohydride cation	mgh+
47	CaH	Calcium monohydride	cah
48	CaH⁺	Calcium monohydride cation	cah+
49	TiH	Titanium monohydride	tih
50	ZnH	Zinc monohydride	znh
51	BeH₂	beryllium dihydride	beh2
52	CaH₂	Calcium Hydride	cah2
53	ZnH₂	Zinc hydride	znh2
54	B	Boron atom	b
55	B^-	Boron atom anion	b-
56	B⁺	Boron atom cation	b+
57	Sc	Scandium atom	sc
58	Sc⁺	Scandium cation	sc+
59	Ga	Gallium atom	ga
60	Ga^-	Gallium atom anion	ga-
61	Ga⁺	Gallium atom cation	ga+
62	BH^-	boron monohydride anion	bh-
63	BH⁺	boron monohydride cation	bh+
64	AlH	aluminum monohydride	alh
65	AlH^-	aluminum monohydride anion	alh-
66	AlH⁺	aluminum monohydride cation	alh+
67	ScH	Scandium monohydride	sch
68	GaH	Gallium monohydride	gah
69	BH₂	boron dihydride	bh2
70	BH₂^-	boron dihydride anion	bh2-
71	BH₂⁺	Boron dihydride cation	bh2+
72	AlH₂	aluminum dihydride	alh2
73	AlH₂^-	aluminum dihydride anion	alh2-
74	AlH₂⁺	aluminum dihydride cation	alh2+
75	BH₃	boron trihydride	bh3
76	BH₃^-	boron trihydride anion	bh3-
77	AlH₃⁺	aluminum trihydride cation	alh3+
78	ScH₃	Scandium trihydride	sch3
79	GaH₃	Gallium trihydride	gah3
80	AlH₄^-	Aluminum tetrahydride anion	alh4-
81	C^-	Carbon atom anion	c-
82	C⁺	Carbon atom cation	c+
83	Si	Silicon atom	si
84	Si⁺	Silicon atom cation	si+
85	Ti	Titanium atom	ti
86	Ti^-	Titanium atom anion	ti-
87	Ti⁺	Titanium atom cation	ti+
88	Ge	Germanium atom	ge
89	Ge^-	Germanium anion	ge-
90	Ge⁺	Germanium cation	ge+
91	Sn	Tin atom	sn
92	Sn⁺	Tin cation	sn+
93	CH	Methylidyne	ch
94	CH^-	methylidyne anion	ch-
95	CH⁺	Methylidyne cation	ch+
96	SiH	Silylidyne	sih
97	SiH^-	silicon monohydride anion	sih-
98	CH₂	Methylene	ch2
99	CH₂⁺	methylene cation	ch2+
100	SiH₂	silicon dihydride	sih2
101	SiH₂^-	silicon dihydride anion	sih2-
102	SiH₂⁺	silicon dihydride cation	sih2+
103	GeH₂^-	germylene anion	geh2-
104	CH₃	Methyl radical	ch3
105	CH₃^-	methyl anion	ch3-
106	CH₃⁺	methyl cation	ch3+
107	SiH₃	Silyl radical	sih3
108	SiH₃^-	Silyl anion	sih3-
109	GeH₃	Germyl radical	geh3
110	GeH₃⁺	germyl cation	geh3+
111	CD₄	methane-d4	cd4
112	CH₂D₂	methane-d2	ch2d2
113	CH₃D	methane-d	ch3d
114	CH₄⁺	Methane cation	ch4+
115	CHD₃	methane-d3	chd3
116	SiH₄⁺	Silane cation	sih4+
117	SnH₄	Stannane	snh4
118	N^-	Nitrogen atom anion	n-
119	N⁺	Nitrogen atom cation	n+
120	P^-	Phosphorus atom anion	p-
121	P⁺	Phosphorus atom cation	p+
122	V	Vanadium atom	v
123	Sb	Antimony atom	sb
124	NH	Imidogen	nh
125	NH^-	Imidogen anion	nh-
126	NH⁺	imidogen cation	nh+
127	PH^-	phosphorus monohydride anion	ph-
128	PH⁺	phosphorus monohydride cation	ph+
129	AsH	Arsenic monohydride	ash
130	AsH⁺	Arsenic monohydride cation	ash+
131	SbH	Antimony monohydride	sbh
132	ND₂	Amidogen-d2	nd2
133	NH₂^-	amino anion	nh2-
134	PH₂	Phosphino radical	ph2
135	PH₂^-	Phosphino anion	ph2-
136	PH₂⁺	Phosphino cation	ph2+
137	AsH₂	Arsenic dihydride	ash2
138	AsH₂⁺	Arsenic dihydride cation	ash2+
139	ND₃	Ammonia-d3	nd3
140	NH₃⁺	ammonia cation	nh3+
141	AsH₃	Arsine	ash3
142	AsH₃⁺	Arsine cation	ash3+
143	SbH₃	Stibine	sbh3
144	AsH₄⁺	Arsonium	ash4+
145	O^-	Oxygen atom anion	o-
146	O⁺	Oxygen atom cation	o+
147	Cr	Chromium atom	cr
148	Te	Tellurium atom	te
149	Te⁺	Tellurium atom cation	te+
150	DO	Hydroxyl-d	od
151	DS	Mercapto-d	ds
152	HS	Mercapto radical	hs
153	TeH	Telluryl radical	teh
154	D₂O	Deuterium oxide	d2o
155	D₂S	Hydrogen sulfide-d2	d2s
156	H₂S^-	Hydrogen sulfide anion	h2s-
157	H₂Te	Hydrogen Telluride	h2te
158	Mn	Manganese atom	mn
159	I	Iodine atom	iodine
160	I^-	Iodine atom anion	iodine-
161	I⁺	Iodine atom cation	iodine+
162	DF	Hydrofluoric acid-d	df
163	HF	Hydrogen fluoride	hf
164	HF^-	hydrogen fluoride anion	hf-
165	HF⁺	hydrogen fluoride cation	hf+
166	DCl	Hydrochloric acid-d	dcl
167	HCl	Hydrogen chloride	hcl
168	HCl^-	hydrogen chloride anion	hcl-
169	HI	Hydrogen iodide	hi
170	HI⁺	Hydrogen iodide cation	hi+
171	H₂F⁺	dihydrogen fluoride cation	h2f+
172	H₂I⁺	Iodonium	h2i+
173	Ne^-	Neon atom anion	ne-
174	Ne⁺	Neon atom cation	ne+
175	Ar	Argon atom	ar
176	Ar^-	Argon atom anion	ar-
177	Ar⁺	Argon atom cation	ar+
178	Fe	Iron atom	fe
179	Xe	Xenon atom	xe
180	NeH	neon hydrogen	neh
181	NeH⁺	neon hydrogen cation	neh+
182	XeH⁺	Xenon, protonated	xeh+
183	Co	Cobalt atom	cobalt
184	Ni	Nickel atom	ni
185	Li₂	Lithium diatomic	li2
186	Li₂^-	lithium diatomic anion	li2-
187	Li₂⁺	lithium diatomic cation	li2+
188	NaLi	lithium sodium	lina
189	NaLi^-	lithium sodium anion	lina-
190	NaLi⁺	lithium sodium cation	lina+
191	LiK	Lithium Potassium	lik
192	Na₂	Sodium diatomic	na2
193	NaK	Sodium Potassium	nak
194	NaK⁺	Sodium Potassium diatomic cation	nak+
195	K₂	Potassium diatomic	k2
196	Cu₂	Copper diatomic	cu2
197	LiBe	Lithium Beryllium	libe
198	LiMg	Lithium magnesium	limg
199	NaBe	Sodium Beryllium	nabe
200	NaMg	Sodium Magnesium	namg
201	Be₂	Beryllium diatomic	be2
202	Be₂^-	Beryllium diatomic anion	be2-
203	Be₂⁺	Beryllium diatomic cation	be2+
204	Mg₂	Magnesium diatomic	mg2
205	Mg₂^-	magnesium diatomic anion	mg2-
206	Mg₂⁺	magnesium diatomic cation	mg2+
207	Ca₂	Calcium diatomic	ca2
208	LiB	Lithium boride	lib
209	BeB	Beryllium monoboride	beb
210	B₂	Boron diatomic	b2
211	B₂^-	Boron diatomic anion	b2-
212	B₂⁺	Boron diatomic cation	b2+
213	Al₂	Aluminum diatomic	al2
214	Al₂^-	aluminum diatomic anion	al2-
215	Al₂⁺	aluminum diatomic cation	al2+
216	Ga₂	Gallium diatomic	ga2
217	LiBH₄	Lithium borohydride	libh4
218	Al₂H₆	dialane	al2h6
219	Ga₂H₆	digallane	ga2h6
220	LiC	Lithium Carbide	lic
221	BeC	Beryllium Carbide	bec
222	CaC	Calcium monocarbide	cac
223	BC	boron monocarbide	bc
224	BC^-	boron monocarbide anion	bc-
225	BC⁺	boron monocarbide cation	bc+
226	AlC	Aluminum carbide	alc
227	C₂	Carbon diatomic	c2
228	C₂^-	carbon diatomic anion	c2-
229	C₂⁺	carbon diatomic cation	c2+
230	SiC	silicon monocarbide	sic
231	SiC^-	silicon monocarbide anion	sic-
232	SiC⁺	silicon monocarbide cation	sic+
233	Si₂	Silicon diatomic	si2
234	Si₂^-	silcon diatomic anion	si2-
235	Si₂⁺	silcon diatomic cation	si2+
236	GeC	Germanium monocarbide	gec
237	Ge₂	Germanium diatomic	ge2
238	C₂H⁺	Ethynyl cation	c2h+
239	ZnCH₂	Zinc methylene	znch2
240	C₂H₂	Acetylene	c2h2
241	CCH₂	vinylidene	vinylidene
242	Si₂H₂	disilyne	si2h2
243	CuCH₃	monomethyl copper	cuch3
244	ZnCH₃	Zinc monomethyl	znch3
245	C₂H₄	Ethylene	c2h4
246	C₂H₄^-	Ethylene anion	c2h4-
247	CH₃CH	methylmethylene	ch3ch
248	CH₂SiH₂	silaethylene	ch2sih2
249	C₂H₅^-	Ethyl anion	c2h5-
250	C₂H₅⁺	Ethyl cation	c2h5+
251	C₂H₆⁺	ethane cation	c2h6+
252	CH₃SiH₃	methyl silane	ch3sih3
253	GeH₃CH₃	methyl germane	geh3ch3
254	C₂H₇⁺	Ethane, protonated	c2h7+
255	LiN	Lithium Nitride	lin
256	LiN⁺	Lithium Nitride cation	lin+
257	BeN	Beryllium mononitride	ben
258	BeN^-	Beryllium mononitride anion	ben-
259	BeN⁺	Beryllium mononitride cation	ben+
260	BN^-	boron nitride anion	bn-
261	AlN^-	aluminum mononitride anion	aln-
262	AlN⁺	aluminum mononitride cation	aln+
263	AlP	Aluminum monophosphide	alp
264	GaN	Gallium mononitride	gan
265	GaAs	Gallium arsenide	gaas
266	BN	boron nitride	bn
267	BN⁺	boron nitride cation	bn+
268	AlN	Aluminum nitride	aln
269	CN^-	cyanide anion	cn-
270	CN⁺	Cyano cation	cn+
271	CP	Carbon monophosphide	cp
272	CP^-	carbon monophosphide anion	cp-
273	CP⁺	carbon monophosphide cation	cp+
274	SiN	Silicon nitride	sin
275	SiN^-	silicon mononitride anion	sin-
276	SiN⁺	silicon mononitride cation	sin+
277	SiP^-	Silicon monophosphide anion	sip-
278	SiP⁺	Silicon monophosphide cation	sip+
279	TiN	Titanium mononitride	tin
280	N₂⁺	diatomic nitrogen cation	n2+
281	PN	Phosphorus mononitride	pn
282	PN^-	phosphorus nitride anion	pn-
283	PN⁺	phosphorus nitride cation	pn+
284	P₂	Phosphorus diatomic	p2
285	P₂^-	phosphorus diatomic anion	p2-
286	P₂⁺	phosphorus diatomic cation	p2+
287	AsN	Arsenic mononitride	asn
288	AsP	Arsenic monophosphide	asp
289	SbN	Antimony nitride	sbn
290	As₂	Arsenic diatomic	as2
291	HNB	hydrogen nitrogen boron	hnb
292	HNC	hydrogen isocyanide	hnc
293	HCN^-	Hydrogen cyanide anion	hcn-
294	HCP	Phosphaethyne	hcp
295	HCP⁺	Phosphaethyne cation	hcp+
296	NNH	Dinitrogen monohydride	nnh
297	HPO	Hydrogen phosphorus oxide	hpo
298	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
299	CNH₂	Aminomethylidyne radical	cnh2
300	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
301	H₂CN	Dihydrogen cyanide radical	h2cn
302	H₂CN⁺	hydrocyanonium cation	h2cn+
303	HCNH	methyleneazane	hcnh
304	HCNH⁺	N-protonated HCN	hcnh+
305	H₂NN	Isodiazene	h2nn
306	N₂H₂	(E)-diazene	n2h2
307	N₂H₂	(Z)-Diazene	n2h2z
308	CH₂PH	Phosphaethene	ch3p
309	N₂H₄⁺	hydrazine cation	n2h4+
310	P₂H₄	Diphosphine	p2h4
311	CH₃NH₂⁺	methyl amine cation	ch3nh2+
312	CH₃PH₂	Methyl phosphine	ch3ph2
313	CH₃NH₃⁺	protonated methylamine	ch3nh3+
314	NH₃NH₃	Ammonia Dimer	nh3nh3
315	LiO	lithium oxide	lio
316	LiO^-	lithium oxide anion	lio-
317	LiO⁺	lithium oxide cation	lio+
318	LiS	Lithium monosulfide	lis
319	LiS⁺	Lithium sulfide cation	lis+
320	NaO	sodium monoxide	nao
321	NaO^-	sodium oxide anion	nao-
322	NaO⁺	sodium oxide cation	nao+
323	KO	Potassium monoxide	ko
324	KO⁺	Potassium monoxide cation	ko+
325	NaS	Sodium sulfide	nas
326	CuO	Copper Monoxide	cuo
327	LiSe	Lithium monoselenide	lise
328	BeO	beryllium oxide	beo
329	BeO^-	Beryllium monoxide anion	beo-
330	BeO⁺	Beryllium monoxide cation	beo+
331	BeS	beryllium sulfide	bes
332	MgO	magnesium oxide	mgo
333	MgO^-	magnesium oxide anion	mgo-
334	MgO⁺	magnesium oxide cation	mgo+
335	CaO	Calcium monoxide	cao
336	MgS	magnesium sulfide	mgs
337	MgS^-	magnesium sulfide anion	mgs-
338	MgS⁺	magnesium sulfide cation	mgs+
339	CaS	Calcium sulfide	cas
340	ZnO	zinc monoxide	zno
341	ZnS	Zinc sulfide	zns
342	BeS^-	Beryllium monosulfide anion	bes-
343	BeS⁺	Beryllium monosulfide cation	bes+
344	BO^-	boron monoxide anion	bo-
345	AlO	Aluminum monoxide	alo
346	AlO^-	Aluminum monoxide anion	alo-
347	AlO⁺	aluminum monoxide cation	alo+
348	BS	boron sulfide	bs
349	BS^-	boron monosulfide anion	bs-
350	BS⁺	boron monosulfide cation	bs+
351	AlS	Aluminum sulfide	als
352	AlS^-	aluminum monosulfide anion	als-
353	AlS⁺	aluminum monosulfide cation	als+
354	ScO	Scandium monoxide	sco
355	GaO	Gallium monoxide	gao
356	GaS	Gallium monosulfide	gas
357	BO⁺	boron monoxide cation	bo+
358	CS	carbon monosulfide	cs
359	CS^-	carbon monosulfide anion	cs-
360	CS⁺	carbon monosulfide cation	cs+
361	SiO	Silicon monoxide	sio
362	SiO^-	silicon monoxide anion	sio-
363	SiO⁺	silicon monoxide cation	sio+
364	SiS	silicon monosulfide	sis
365	SiS^-	silicon monosulfide anion	sis-
366	SiS⁺	silicon monosulfide cation	sis+
367	TiO	Titanium monoxide	tio
368	CSe	Carbon monoselenide	cse
369	CSe^-	Carbon monoselenide anion	cse-
370	CSe⁺	Carbon monoselenide cation	cse+
371	GeSe	Germanium monoselenide	gese
372	NS^-	nitrogen sulfide anion	ns-
373	NS⁺	nitrogen sulfide cation	ns+
374	PO^-	phosphorus monoxide anion	po-
375	PO⁺	phosphorus monoxide cation	po+
376	PS^-	phosphorus monosulfide anion	ps-
377	PS⁺	phosphorus monosulfide cation	ps+
378	VO	Vanadium monoxide	vo
379	AsO	Arsenic monoxide	aso
380	O₂	Oxygen diatomic	o2
381	O₂^--	dioxygen dianion	o2--
382	O₂⁺	diatomic oxygen cation	o2+
383	SO	Sulfur monoxide	so
384	SO^-	sulfur monoxide anion	so-
385	S₂^-	sulfur diatomic anion	s2-
386	S₂⁺	sulfur diatomic cation	s2+
387	SeO^-	selenium monoxide anion	seo-
388	SeO⁺	selenium monoxide cation	seo+
389	SeS	Selenium monosulfide	ses
390	SeS^-	selenium monosulfide anion	ses-
391	SeS⁺	selenium monosulfide cation	ses+
392	TeO	Tellurium monoxide	teo
393	Se₂	Selenium diatomic	se2
394	Se₂^-	selenium diatomic anion	se2-
395	Se₂⁺	selenium diatomic cation	se2+
396	Te₂	Tellurium diatomic	te2
397	NaOH	sodium hydroxide	naoh
398	KOH	Potassium hydroxide	koh
399	MgOH	magnesium hydroxide	mgoh
400	CaOH	Calcium monohydroxide	caoh
401	HBS	hydrogen boron sulfide	hbs
402	HCO	Formyl radical	hco
403	HCO⁺	Formyl cation	hco+
404	HCS	Thioformyl radical	hcs
405	HCS^-	Thioformyl anion	hcs-
406	HCS⁺	Thioformyl cation	hcs+
407	HNO	Nitrosyl hydride	hno
408	HNO^-	Nitrosyl hydride anion	hno-
409	HNS	Sulfur imide	hns
410	HNS^-	Sulfur imide anion	hns-
411	HO₂	Hydroperoxy radical	ho2
412	HO₂^-	Hydroperoxy anion	ho2-
413	HS₂	Thiosulfeno radical	hs2
414	HOCH	hydroxycarbene	hoch
415	H₂CSe	Selenoformaldehyde	h2cse
416	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
417	H₂Se₂	hydrogen diselenide	h2se2
418	CH₂OH	Hydroxymethyl radical	ch2oh
419	CH₃O	Methoxy radical	ch3o
420	CH₃S	thiomethoxy	ch3s
421	NH₃O	Ammonia Oxide	nh3o
422	H₂POH	Phosphinous acid	h2poh
423	H₃PO	Phosphine oxide	h3po
424	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
425	CH₃OH^-	Methyl alcohol anion	ch3oh-
426	CH₃OH⁺	Methyl alcohol cation	ch3oh+
427	CH₃SeH	Methane selenol	ch3seh
428	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
429	H₂ONH₃	Water Ammonia Dimer	h2onh3
430	LiCl^-	lithium chloride anion	licl-
431	LiCl⁺	lithium chloride cation	licl+
432	NaF	sodium fluoride	naf
433	NaF^-	sodium fluoride anion	naf-
434	KF	Potassium Fluoride	kf
435	NaCl	Sodium Chloride	nacl
436	NaCl^-	sodium chloride anion	nacl-
437	NaCl⁺	sodium chloride cation	nacl+
438	KCl	Potassium Chloride	kcl
439	CuF	Copper monofluoride	cuf
440	LiBr^-	lithium bromide anion	libr-
441	LiBr⁺	lithium bromide cation	libr+
442	CuCl	Copper monochloride	cucl
443	NaBr	Sodium Bromide	nabr
444	NaBr^-	sodium bromide anion	nabr-
445	NaBr⁺	sodium bromide cation	nabr+
446	KBr	Potassium Bromide	kbr
447	LiI	Lithium Iodide	lii
448	NaI	Sodium Iodide	nai
449	KI	Potassium Iodide	ki
450	LiF^-	lithium fluoride anion	lif-
451	BeF	Beryllium monofluoride	bef
452	BeF^-	Beryllium monofluoride anion	bef-
453	BeF⁺	Beryllium monofluoride cation	bef+
454	BeCl	beryllium monochloride	becl
455	MgF	Magnesium monofluoride	mgf
456	MgF^-	magnesium fluoride anion	mgf-
457	MgF⁺	magnesium fluoride cation	mgf+
458	CaF	Calcium monofluoride	caf
459	MgCl	magnesium monochloride	mgcl
460	MgCl^-	magnesium monochloride anion	mgcl-
461	MgCl⁺	magnesium monochloride cation	mgcl+
462	CaCl	calcium monochloride	cacl
463	ZnF^-	Zinc monofluoride anion	znf-
464	ZnF⁺	Zinc monofluoride cation	znf+
465	ZnCl	Zinc monochloride	zncl
466	CaBr	Calcium monobromide	cabr
467	BeCl^-	beryllium monochloride anion	becl-
468	BeCl⁺	beryllium monochloride cation	becl+
469	BF	Boron monofluoride	bf
470	BF^-	Boron monofluoride anion	bf-
471	BF⁺	Boron monofluoride cation	bf+
472	AlF	Aluminum monofluoride	alf
473	AlF^-	Aluminum monofluoride anion	alf-
474	AlF⁺	Aluminum monofluoride cation	alf+
475	BCl	boron monochloride	bcl
476	BCl^-	boron monochloride anion	bcl-
477	BCl⁺	boron monochloride cation	bcl+
478	AlCl	Aluminum monochloride	alcl
479	AlCl^-	aluminum monochloride anion	alcl-
480	AlCl⁺	aluminum monochloride cation	alcl+
481	ScF	Scandium monofluoride	scf
482	BBr	Boron monobromide	bbr
483	GaF	Gallium monofluoride	gaf
484	GaCl	Gallium monochloride	gacl
485	AlI	Aluminum monoiodide	ali
486	GaBr	Gallium monobromide	gabr
487	CF^-	carbon monofluoride anion	cf-
488	CF⁺	carbon monofluoride cation	cf+
489	CCl	carbon monochloride	ccl
490	CCl^-	carbon monochloride anion	ccl-
491	CCl⁺	carbon monochloride cation	ccl+
492	SiF^-	silicon monofluoride anion	sif-
493	SiCl	Clorosilylidyne	sicl
494	SiCl^-	silicon monochloride anion	sicl-
495	SiCl⁺	silicon monochloride cation	sicl+
496	GeF	Germanium monofluoride	gef
497	GeCl	Germanium monochloride	gecl
498	NF	nitrogen fluoride	nf
499	NF^-	nitrogen monofluorine anion	nf-
500	NF⁺	nitrogen monofluoirde cation	nf+

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Lithium atom

Li⁺

Lithium atom cation

li+

Sodium atom

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH

Lithium Hydride

lih

LiH^-

lithium hydride anion

lih-

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

Potassium hydride

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Beryllium atom

Be^-

Beryllium atom anion

be-

Be⁺

Beryllium atom cation

be+

Magnesium atom

Mg^-

Magnesium atom anion

mg-

Mg⁺

Magnesium atom cation

mg+

Calcium atom

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH

beryllium monohydride

beh

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

BeH₂

beryllium dihydride

beh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

Boron atom

B^-

Boron atom anion

B⁺

Boron atom cation

Scandium atom

Sc⁺

Scandium cation

sc+

Gallium atom

Ga^-

Gallium atom anion

ga-

Ga⁺

Gallium atom cation

ga+

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃⁺

aluminum trihydride cation

alh3+

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Silicon atom

Si⁺

Silicon atom cation

si+

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Germanium atom

Ge^-

Germanium anion

ge-

Ge⁺

Germanium cation

ge+

Tin atom

Sn⁺

Tin cation

sn+

Methylidyne

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH

Silylidyne

sih

SiH^-

silicon monohydride anion

sih-

CH₂

Methylene

ch2

CH₂⁺

methylene cation

ch2+

100

SiH₂

silicon dihydride

sih2

101

SiH₂^-

silicon dihydride anion

sih2-

102

SiH₂⁺

silicon dihydride cation

sih2+

103

GeH₂^-

germylene anion

geh2-

104

CH₃

Methyl radical

ch3

105

CH₃^-

methyl anion

ch3-

106

CH₃⁺

methyl cation

ch3+

107

SiH₃

Silyl radical

sih3

108

SiH₃^-

Silyl anion

sih3-

109

GeH₃

Germyl radical

geh3

110

GeH₃⁺

germyl cation

geh3+

111

CD₄

methane-d4

cd4

112

CH₂D₂

methane-d2

ch2d2

113

CH₃D

methane-d

ch3d

114

CH₄⁺

Methane cation

ch4+

115

CHD₃

methane-d3

chd3

116

SiH₄⁺

Silane cation

sih4+

117

SnH₄

Stannane

snh4

118

N^-

Nitrogen atom anion

119

N⁺

Nitrogen atom cation

120

P^-

Phosphorus atom anion

121

P⁺

Phosphorus atom cation

122

Vanadium atom

123

Antimony atom

124

Imidogen

125

NH^-

Imidogen anion

nh-

126

NH⁺

imidogen cation

nh+

127

PH^-

phosphorus monohydride anion

ph-

128

PH⁺

phosphorus monohydride cation

ph+

129

AsH

Arsenic monohydride

ash

130

AsH⁺

Arsenic monohydride cation

ash+

131

SbH

Antimony monohydride

sbh

132

ND₂

Amidogen-d2

nd2

133

NH₂^-

amino anion

nh2-

134

PH₂

Phosphino radical

ph2

135

PH₂^-

Phosphino anion

ph2-

136

PH₂⁺

Phosphino cation

ph2+

137

AsH₂

Arsenic dihydride

ash2

138

AsH₂⁺

Arsenic dihydride cation

ash2+

139

ND₃

Ammonia-d3

nd3

140

NH₃⁺

ammonia cation

nh3+

141

AsH₃

Arsine

ash3

142

AsH₃⁺

Arsine cation

ash3+

143

SbH₃

Stibine

sbh3

144

AsH₄⁺

Arsonium

ash4+

145

O^-

Oxygen atom anion

146

O⁺

Oxygen atom cation

147

Chromium atom

148

Tellurium atom

149

Te⁺

Tellurium atom cation

te+

150

Hydroxyl-d

151

Mercapto-d

152

Mercapto radical

153

TeH

Telluryl radical

teh

154

D₂O

Deuterium oxide

d2o

155

D₂S

Hydrogen sulfide-d2

d2s

156

H₂S^-

Hydrogen sulfide anion

h2s-

157

H₂Te

Hydrogen Telluride

h2te

158

Manganese atom

159

Iodine atom

iodine

160

I^-

Iodine atom anion

iodine-

161

I⁺

Iodine atom cation

iodine+

162

Hydrofluoric acid-d

163

Hydrogen fluoride

164

HF^-

hydrogen fluoride anion

hf-

165

HF⁺

hydrogen fluoride cation

hf+

166

DCl

Hydrochloric acid-d

dcl

167

HCl

Hydrogen chloride

hcl

168

HCl^-

hydrogen chloride anion

hcl-

169

Hydrogen iodide

170

HI⁺

Hydrogen iodide cation

hi+

171

H₂F⁺

dihydrogen fluoride cation

h2f+

172

H₂I⁺

Iodonium

h2i+

173

Ne^-

Neon atom anion

ne-

174

Ne⁺

Neon atom cation

ne+

175

Argon atom

176

Ar^-

Argon atom anion

ar-

177

Ar⁺

Argon atom cation

ar+

178

Iron atom

179

Xenon atom

180

NeH

neon hydrogen

neh

181

NeH⁺

neon hydrogen cation

neh+

182

XeH⁺

Xenon, protonated

xeh+

183

Cobalt atom

cobalt

184

Nickel atom

185

Li₂

Lithium diatomic

li2

186

Li₂^-

lithium diatomic anion

li2-

187

Li₂⁺

lithium diatomic cation

li2+

188

NaLi

lithium sodium

lina

189

NaLi^-

lithium sodium anion

lina-

190

NaLi⁺

lithium sodium cation

lina+

191

LiK

Lithium Potassium

lik

192

Na₂

Sodium diatomic

na2

193

NaK

Sodium Potassium

nak

194

NaK⁺

Sodium Potassium diatomic cation

nak+

195

K₂

Potassium diatomic

196

Cu₂

Copper diatomic

cu2

197

LiBe

Lithium Beryllium

libe

198

LiMg

Lithium magnesium

limg

199

NaBe

Sodium Beryllium

nabe

200

NaMg

Sodium Magnesium

namg

201

Be₂

Beryllium diatomic

be2

202

Be₂^-

Beryllium diatomic anion

be2-

203

Be₂⁺

Beryllium diatomic cation

be2+

204

Mg₂

Magnesium diatomic

mg2

205

Mg₂^-

magnesium diatomic anion

mg2-

206

Mg₂⁺

magnesium diatomic cation

mg2+

207

Ca₂

Calcium diatomic

ca2

208

LiB

Lithium boride

lib

209

BeB

Beryllium monoboride

beb

210

B₂

Boron diatomic

211

B₂^-

Boron diatomic anion

b2-

212

B₂⁺

Boron diatomic cation

b2+

213

Al₂

Aluminum diatomic

al2

214

Al₂^-

aluminum diatomic anion

al2-

215

Al₂⁺

aluminum diatomic cation

al2+

216

Ga₂

Gallium diatomic

ga2

217

LiBH₄

Lithium borohydride

libh4

218

Al₂H₆

dialane

al2h6

219

Ga₂H₆

digallane

ga2h6

220

LiC

Lithium Carbide

lic

221

BeC

Beryllium Carbide

bec

222

CaC

Calcium monocarbide

cac

223

boron monocarbide

224

BC^-

boron monocarbide anion

bc-

225

BC⁺

boron monocarbide cation

bc+

226

AlC

Aluminum carbide

alc

227

C₂

Carbon diatomic

228

C₂^-

carbon diatomic anion

c2-

229

C₂⁺

carbon diatomic cation

c2+

230

SiC

silicon monocarbide

sic

231

SiC^-

silicon monocarbide anion

sic-

232

SiC⁺

silicon monocarbide cation

sic+

233

Si₂

Silicon diatomic

si2

234

Si₂^-

silcon diatomic anion

si2-

235

Si₂⁺

silcon diatomic cation

si2+

236

GeC

Germanium monocarbide

gec

237

Ge₂

Germanium diatomic

ge2

238

C₂H⁺

Ethynyl cation

c2h+

239

ZnCH₂

Zinc methylene

znch2

240

C₂H₂

Acetylene

c2h2

241

CCH₂

vinylidene

242

Si₂H₂

disilyne

si2h2

243

CuCH₃

monomethyl copper

cuch3

244

ZnCH₃

Zinc monomethyl

znch3

245

C₂H₄

Ethylene

c2h4

246

C₂H₄^-

Ethylene anion

c2h4-

247

CH₃CH

methylmethylene

ch3ch

248

CH₂SiH₂

silaethylene

ch2sih2

249

C₂H₅^-

Ethyl anion

c2h5-

250

C₂H₅⁺

Ethyl cation

c2h5+

251

C₂H₆⁺

ethane cation

c2h6+

252

CH₃SiH₃

methyl silane

ch3sih3

253

GeH₃CH₃

methyl germane

geh3ch3

254

C₂H₇⁺

Ethane, protonated

c2h7+

255

LiN

Lithium Nitride

lin

256

LiN⁺

Lithium Nitride cation

lin+

257

BeN

Beryllium mononitride

ben

258

BeN^-

Beryllium mononitride anion

ben-

259

BeN⁺

Beryllium mononitride cation

ben+

260

BN^-

boron nitride anion

bn-

261

AlN^-

aluminum mononitride anion

aln-

262

AlN⁺

aluminum mononitride cation

aln+

263

AlP

Aluminum monophosphide

alp

264

GaN

Gallium mononitride

gan

265

GaAs

Gallium arsenide

gaas

266

boron nitride

267

BN⁺

boron nitride cation

bn+

268

AlN

Aluminum nitride

aln

269

CN^-

cyanide anion

cn-

270

CN⁺

Cyano cation

cn+

271

Carbon monophosphide

272

CP^-

carbon monophosphide anion

cp-

273

CP⁺

carbon monophosphide cation

cp+

274

SiN

Silicon nitride

sin

275

SiN^-

silicon mononitride anion

sin-

276

SiN⁺

silicon mononitride cation

sin+

277

SiP^-

Silicon monophosphide anion

sip-

278

SiP⁺

Silicon monophosphide cation

sip+

279

TiN

Titanium mononitride

tin

280

N₂⁺

diatomic nitrogen cation

n2+

281

Phosphorus mononitride

282

PN^-

phosphorus nitride anion

pn-

283

PN⁺

phosphorus nitride cation

pn+

284

P₂

Phosphorus diatomic

285

P₂^-

phosphorus diatomic anion

p2-

286

P₂⁺

phosphorus diatomic cation

p2+

287

AsN

Arsenic mononitride

asn

288

AsP

Arsenic monophosphide

asp

289

SbN

Antimony nitride

sbn

290

As₂

Arsenic diatomic

as2

291

HNB

hydrogen nitrogen boron

hnb

292

HNC

hydrogen isocyanide

hnc

293

HCN^-

Hydrogen cyanide anion

hcn-

294

HCP

Phosphaethyne

hcp

295

HCP⁺

Phosphaethyne cation

hcp+

296

NNH

Dinitrogen monohydride

nnh

297

HPO

Hydrogen phosphorus oxide

hpo

298

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

299

CNH₂

Aminomethylidyne radical

cnh2

300

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

301

H₂CN

Dihydrogen cyanide radical

h2cn

302

H₂CN⁺

hydrocyanonium cation

h2cn+

303

HCNH

methyleneazane

hcnh

304

HCNH⁺

N-protonated HCN

hcnh+

305

H₂NN

Isodiazene

h2nn

306

N₂H₂

(E)-diazene

n2h2

307

N₂H₂

(Z)-Diazene

n2h2z

308

CH₂PH

Phosphaethene

ch3p

309

N₂H₄⁺

hydrazine cation

n2h4+

310

P₂H₄

Diphosphine

p2h4

311

CH₃NH₂⁺

methyl amine cation

ch3nh2+

312

CH₃PH₂

Methyl phosphine

ch3ph2

313

CH₃NH₃⁺

protonated methylamine

ch3nh3+

314

NH₃NH₃

Ammonia Dimer

nh3nh3

315

LiO

lithium oxide

lio

316

LiO^-

lithium oxide anion

lio-

317

LiO⁺

lithium oxide cation

lio+

318

LiS

Lithium monosulfide

lis

319

LiS⁺

Lithium sulfide cation

lis+

320

NaO

sodium monoxide

nao

321

NaO^-

sodium oxide anion

nao-

322

NaO⁺

sodium oxide cation

nao+

323

Potassium monoxide

324

KO⁺

Potassium monoxide cation

ko+

325

NaS

Sodium sulfide

nas

326

CuO

Copper Monoxide

cuo

327

LiSe

Lithium monoselenide

lise

328

BeO

beryllium oxide

beo

329

BeO^-

Beryllium monoxide anion

beo-

330

BeO⁺

Beryllium monoxide cation

beo+

331

BeS

beryllium sulfide

bes

332

MgO

magnesium oxide

mgo

333

MgO^-

magnesium oxide anion

mgo-

334

MgO⁺

magnesium oxide cation

mgo+

335

CaO

Calcium monoxide

cao

336

MgS

magnesium sulfide

mgs

337

MgS^-

magnesium sulfide anion

mgs-

338

MgS⁺

magnesium sulfide cation

mgs+

339

CaS

Calcium sulfide

cas

340

ZnO

zinc monoxide

zno

341

ZnS

Zinc sulfide

zns

342

BeS^-

Beryllium monosulfide anion

bes-

343

BeS⁺

Beryllium monosulfide cation

bes+

344

BO^-

boron monoxide anion

bo-

345

AlO

Aluminum monoxide

alo

346

AlO^-

Aluminum monoxide anion

alo-

347

AlO⁺

aluminum monoxide cation

alo+

348

boron sulfide

349

BS^-

boron monosulfide anion

bs-

350

BS⁺

boron monosulfide cation

bs+

351

AlS

Aluminum sulfide

als

352

AlS^-

aluminum monosulfide anion

als-

353

AlS⁺

aluminum monosulfide cation

als+

354

ScO

Scandium monoxide

sco

355

GaO

Gallium monoxide

gao

356

GaS

Gallium monosulfide

gas

357

BO⁺

boron monoxide cation

bo+

358

carbon monosulfide

359

CS^-

carbon monosulfide anion

cs-

360

CS⁺

carbon monosulfide cation

cs+

361

SiO

Silicon monoxide

sio

362

SiO^-

silicon monoxide anion

sio-

363

SiO⁺

silicon monoxide cation

sio+

364

SiS

silicon monosulfide

sis

365

SiS^-

silicon monosulfide anion

sis-

366

SiS⁺

silicon monosulfide cation

sis+

367

TiO

Titanium monoxide

tio

368

CSe

Carbon monoselenide

cse

369

CSe^-

Carbon monoselenide anion

cse-

370

CSe⁺

Carbon monoselenide cation

cse+

371

GeSe

Germanium monoselenide

gese

372

NS^-

nitrogen sulfide anion

ns-

373

NS⁺

nitrogen sulfide cation

ns+

374

PO^-

phosphorus monoxide anion

po-

375

PO⁺

phosphorus monoxide cation

po+

376

PS^-

phosphorus monosulfide anion

ps-

377

PS⁺

phosphorus monosulfide cation

ps+

378

Vanadium monoxide

379

AsO

Arsenic monoxide

aso

380

O₂

Oxygen diatomic

381

O₂^--

dioxygen dianion

o2--

382

O₂⁺

diatomic oxygen cation

o2+

383

Sulfur monoxide

384

SO^-

sulfur monoxide anion

so-

385

S₂^-

sulfur diatomic anion

s2-

386

S₂⁺

sulfur diatomic cation

s2+

387

SeO^-

selenium monoxide anion

seo-

388

SeO⁺

selenium monoxide cation

seo+

389

SeS

Selenium monosulfide

ses

390

SeS^-

selenium monosulfide anion

ses-

391

SeS⁺

selenium monosulfide cation

ses+

392

TeO

Tellurium monoxide

teo

393

Se₂

Selenium diatomic

se2

394

Se₂^-

selenium diatomic anion

se2-

395

Se₂⁺

selenium diatomic cation

se2+

396

Te₂

Tellurium diatomic

te2

397

NaOH

sodium hydroxide

naoh

398

KOH

Potassium hydroxide

koh

399

MgOH

magnesium hydroxide

mgoh

400

CaOH

Calcium monohydroxide

caoh

401

HBS

hydrogen boron sulfide

hbs

402

HCO

Formyl radical

hco

403

HCO⁺

Formyl cation

hco+

404

HCS

Thioformyl radical

hcs

405

HCS^-

Thioformyl anion

hcs-

406

HCS⁺

Thioformyl cation

hcs+

407

HNO

Nitrosyl hydride

hno

408

HNO^-

Nitrosyl hydride anion

hno-

409

HNS

Sulfur imide

hns

410

HNS^-

Sulfur imide anion

hns-

411

HO₂

Hydroperoxy radical

ho2

412

HO₂^-

Hydroperoxy anion

ho2-

413

HS₂

Thiosulfeno radical

hs2

414

HOCH

hydroxycarbene

hoch

415

H₂CSe

Selenoformaldehyde

h2cse

416

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

417

H₂Se₂

hydrogen diselenide

h2se2

418

CH₂OH

Hydroxymethyl radical

ch2oh

419

CH₃O

Methoxy radical

ch3o

420

CH₃S

thiomethoxy

ch3s

421

NH₃O

Ammonia Oxide

nh3o

422

H₂POH

Phosphinous acid

h2poh

423

H₃PO

Phosphine oxide

h3po

424

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

425

CH₃OH^-

Methyl alcohol anion

ch3oh-

426

CH₃OH⁺

Methyl alcohol cation

ch3oh+

427

CH₃SeH

Methane selenol

ch3seh

428

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

429

H₂ONH₃

Water Ammonia Dimer

h2onh3

430

LiCl^-

lithium chloride anion

licl-

431

LiCl⁺

lithium chloride cation

licl+

432

NaF

sodium fluoride

naf

433

NaF^-

sodium fluoride anion

naf-

434

Potassium Fluoride

435

NaCl

Sodium Chloride

nacl

436

NaCl^-

sodium chloride anion

nacl-

437

NaCl⁺

sodium chloride cation

nacl+

438

KCl

Potassium Chloride

kcl

439

CuF

Copper monofluoride

cuf

440

LiBr^-

lithium bromide anion

libr-

441

LiBr⁺

lithium bromide cation

libr+

442

CuCl

Copper monochloride

cucl

443

NaBr

Sodium Bromide

nabr

444

NaBr^-

sodium bromide anion

nabr-

445

NaBr⁺

sodium bromide cation

nabr+

446

KBr

Potassium Bromide

kbr

447

LiI

Lithium Iodide

lii

448

NaI

Sodium Iodide

nai

449

Potassium Iodide

450

LiF^-

lithium fluoride anion

lif-

451

BeF

Beryllium monofluoride

bef

452

BeF^-

Beryllium monofluoride anion

bef-

453

BeF⁺

Beryllium monofluoride cation

bef+

454

BeCl

beryllium monochloride

becl

455

MgF

Magnesium monofluoride

mgf

456

MgF^-

magnesium fluoride anion

mgf-

457

MgF⁺

magnesium fluoride cation

mgf+

458

CaF

Calcium monofluoride

caf

459

MgCl

magnesium monochloride

mgcl

460

MgCl^-

magnesium monochloride anion

mgcl-

461

MgCl⁺

magnesium monochloride cation

mgcl+

462

CaCl

calcium monochloride

cacl

463

ZnF^-

Zinc monofluoride anion

znf-

464

ZnF⁺

Zinc monofluoride cation

znf+

465

ZnCl

Zinc monochloride

zncl

466

CaBr

Calcium monobromide

cabr

467

BeCl^-

beryllium monochloride anion

becl-

468

BeCl⁺

beryllium monochloride cation

becl+

469

Boron monofluoride

470

BF^-

Boron monofluoride anion

bf-

471

BF⁺

Boron monofluoride cation

bf+

472

AlF

Aluminum monofluoride

alf

473

AlF^-

Aluminum monofluoride anion

alf-

474

AlF⁺

Aluminum monofluoride cation

alf+

475

BCl

boron monochloride

bcl

476

BCl^-

boron monochloride anion

bcl-

477

BCl⁺

boron monochloride cation

bcl+

478

AlCl

Aluminum monochloride

alcl

479

AlCl^-

aluminum monochloride anion

alcl-

480

AlCl⁺

aluminum monochloride cation

alcl+

481

ScF

Scandium monofluoride

scf

482

BBr

Boron monobromide

bbr

483

GaF

Gallium monofluoride

gaf

484

GaCl

Gallium monochloride

gacl

485

AlI

Aluminum monoiodide

ali

486

GaBr

Gallium monobromide

gabr

487

CF^-

carbon monofluoride anion

cf-

488

CF⁺

carbon monofluoride cation

cf+

489

CCl

carbon monochloride

ccl

490

CCl^-

carbon monochloride anion

ccl-

491

CCl⁺

carbon monochloride cation

ccl+

492

SiF^-

silicon monofluoride anion

sif-

493

SiCl

Clorosilylidyne

sicl

494

SiCl^-

silicon monochloride anion

sicl-

495

SiCl⁺

silicon monochloride cation

sicl+

496

GeF

Germanium monofluoride

gef

497

GeCl

Germanium monochloride

gecl

498

nitrogen fluoride

499

NF^-

nitrogen monofluorine anion

nf-

500

NF⁺

nitrogen monofluoirde cation

nf+

501

NCl^-

nitrogen monochloride anion

ncl-

502

NCl⁺

nitrogen monochloride cation

ncl+

503

phosphorus monofluoride

504

PF^-

phosphorus monofluoride anion

pf-

505

PF⁺

phosphorus monofluoride cation

pf+

506

PCl

phosphorus chloride

pcl

507

PCl^-

phosphorus monochloride anion

pcl-

508

PCl⁺

phosphorus monochloride cation

pcl+

509

AsF

Arsenic monofluoride

asf

510

NBr

nitrogen monobromide

nbr

511

SbF

Antimony monofluoride

sbf

512

SbCl

Antimony monochloride

sbcl

513

FO^-

flourine oxide anion

fo-

514

FO⁺

fluorine monoxide cation

fo+

515

ClO

Monochlorine monoxide

clo

516

ClO^-

chlorine monoxide anion

clo-

517

ClO⁺

chlorine monoxide cation

clo+

518

Monosulfur monofluoride

519

SF^-

sulfur monofluoride anion

sf-

520

SF⁺

sulfur monofluoride cation

sf+

521

SCl^-

sulfur monochloride anion

scl-

522

SCl⁺

sulfur monochloride cation

scl+

523

BrO

Bromine monoxide

bro

524

BrO^-

Bromine monoxide anion

bro-

525

BrO⁺

Bromine monoxide cation

bro+

526

SeF

Selenium monofluoride

sef

527

SBr

Sulfur monobromide radical

sbr

528

SBr⁺

Sulfur monobromide cation

sbr+

529

Iodine monoxide

530

SeBr

Selenium monobromide

sebr

531

ClF^-

clorine monofluoride anion

clf-

532

Cl₂

Chlorine diatomic

cl2

533

Cl₂^-

chlorine diatomic anion

cl2-

534

BrF^-

bromine fluoride anion

brf-

535

BrF⁺

bromine fluoride cation

brf+

536

BrCl^-

bromine chloride anion

brcl-

537

BrCl⁺

bromine chloride cation

brcl+

538

Iodine monofluoride

539

ICl

Iodine monochloride

icl

540

IBr

Iodine monobromide

ibr

541

I₂

Iodine diatomic

542

I₂⁺

Iodine diatomic cation

i2+

543

HCCl

Chloromethylene

hccl

544

HSiF

fluorosilylene

hsif

545

HSiCl

Chlorosilylene

hsicl

546

HSiBr

monobromosilylene

hsibr

547

CHBr

bromomethylene

chbr

548

HOF

Hypofluorous acid

hfo

549

DOCl

Hypochlorous acid-d

docl

550

HOBr

Hypobromous acid

hobr

551

HOBr⁺

Hypobromous acid cation

hobr+

552

HOI

Hypoiodous acid

hoi

553

FHF

Hydrogen difluoride

fhf

554

FHF^-

Hydrogen difluoride anion

fhf-

555

NH₂F

monofluoroamine

nh2f

556

H₂F₂

Hydrogen fluoride dimer

h2f2

557

CD₃F

methylfluoride-d3

cd3f

558

CD₃Cl

methyl chloride d3

cd3cl

559

CH₃Cl⁺

Methyl chloride cation

ch3cl+

560

SiH₃F

monofluorosilane

sih3f

561

GeH₃F

monofluorogermane

geh3f

562

GeH₃Cl

monochlorogermane

geh3cl

563

CH₃I

methyl iodide

ch3i

564

SiH₃I

Silyl Iodide

sih3i

565

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

566

Ne₂

Neon diatomic

ne2

567

Ne₂⁺

Neon diatomic cation

ne2+

568

Li₃

Lithium trimer

li3

569

Li₃⁺

Lithium trimer cation

li3+

570

C₃⁺

carbon trimer cation

c3+

571

SiC₂

Silicon dicarbide

sic2

572

C₃H₃

cyclopropenyl radical

cpr

573

C₃H₃

Propargyl radical

propargyl

574

C₃H₃^-

Propargyl anion

c3h3-

575

C₃H₃⁺

cyclopropenyl cation

cpr+

576

C₃H₃⁺

Propargyl cation

c3h3+

577

CH₂CCH₂

allene

578

C₃H₅

Allyl radical

allyl

579

C₃H₅⁺

Allyl cation

allyl+

580

CH₃CHCH

1-propenyl radical

ch3chch

581

Zn(CH₃)₂

dimethyl zinc

dmz

582

C₃H₆

Cyclopropane

c3h6

583

CH₃CHCH₃

Isopropyl radical

isopropyl

584

SiH₂(CH₃)₂

dimethylsilane

dms

585

NaCN

Sodium Cyanide

nacn

586

KCN

Potassium cyanide

kcn

587

CuCN

Copper cyanide

cucn

588

AlCN

Aluminum monocyanide

alcn

589

AlNC

Aluminum isocyanide

alnc

590

CN₂

3H-Diazirin-3-ylidene

cn2

591

CNN

Diazocarbene

cnn

592

NCN

Cyanoimidogen

ncn

593

N₃^-

azide anion

n3-

594

HCCN

cyanomethylene

hccn

595

HCNN

diazomethyl radical

hcnn

596

HN₃

hydrogen azide

hn3

597

CH₂N₂

diazirine

ch2n2

598

CH₂NN

diazomethane

ch2nn

599

NH₂CN

cyanamide

600

CH₃CN⁺

Acetonitrile cation

ch3cn+

601

CH₃NC

methyl isocyanide

ch3nc

602

CH₂CHNH

vinylazine

ch2chnh

603

CH₃CHN

methylmethaniminyl radical

ch3chn

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

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

612

CH₃NHCH₃

Dimethylamine

ch3nhch3

613

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

614

Li₂O⁺

dilithium oxide cation

li2o+

615

Li₂S

dilithium sulfide

li2s

616

LiO₂

Lithium dioxide

lio2

617

CCO

Dicarbon monoxide

cco

618

CNO^-

fulminate

cno-

619

NCO^-

cyanate

nco-

620

SCN

thiocyanato radical

scn

621

SCN^-

thiocyanide anion

scn-

622

BO₂

Boron dioxide

bo2

623

BO₂^-

Boron dioxide anion

bo2-

624

BO₂⁺

Boron dioxide cation

bo2+

625

N₂O⁺

Nitrous oxide cation

n2o+

626

NNS

Nitrogen sulfide

nns

627

PPO

Phosphorus oxide phosphide

ppo

628

CO₂

Carbon dioxide

co2

629

CO₂^-

Carbon dioxide anion

co2-

630

CO₂⁺

Carbon dioxide cation

co2+

631

OCS⁺

Carbonyl sulfide cation

cos+

632

SiO₂

silicon dioxide

sio2

633

CS₂^-

Carbon disulfide anion

cs2-

634

CS₂⁺

Carbon disulfide cation

cs2+

635

TiO₂

Titanium dioxide

tio2

636

SiS₂

Silicon disulfide

sis2

637

GeO₂

Germanium dioxide

geo2

638

GeS₂

Germanium disulfide

ges2

639

CSe₂

Carbon diselenide

cse2

640

SCTe

Carbon sulfide Telluride

scte

641

NO₂^-

Nitrogen dioxide anion

no2-

642

PO₂

Phosphorus dioxide

po2

643

PO₂^-

Phosphorus dioxide anion

po2-

644

PO₂⁺

Phosphorus dioxide cation

po2+

645

AsO₂

Aresenic dioxide

aso2

646

O₃^-

Ozone anion

o3-

647

O₃⁺

Ozone cation

o3+

648

SO₂

Sulfur dioxide

so2

649

SO₂^-

Sulfur dioxide anion

so2-

650

SO₂⁺

Sulfur dioxide cation

so2+

651

SSO

Disulfur monoxide

sso

652

S₃^-

Sulfur trimer anion

s3-

653

S₃⁺

Sulfur trimer cation

s3+

654

TeO₂

Tellurium Dioxide

teo2

655

CS₂H⁺

Carbon disulfide, protonated

cs2h+

656

HCNO

fulminic acid

hcno

657

HNCO

Isocyanic acid

hnco

658

HOCN

cyanic acid

hocn

659

HCO₂^-

formate anion

hco2-

660

HNNO

nitrosoazane

hnno

661

HCOO

formate neutral radical

hcoo

662

HOCO⁺

Hydrocarboxyl cation

hoco+

663

HNO₂

Nitrous acid

hno2

664

HNO₂⁺

nitrous acid cation

hno2+

665

CH₂CO⁺

Ketene cation

ch2co+

666

HCCOH

ethynol

hccoh

667

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

668

NH₂NO

Nitrosamide

nh2no

669

CH₂O₂

Dioxirane

diox

670

H₂O₃

Hydrogen trioxide

h2o3

671

HSSSH

trisulfane

hsssh

672

NaOCH₃

Sodium methoxide

naoch3

673

CH₂CHO

Vinyloxy radical

ch2cho

674

CH₃CO

Acetyl radical

ch3co

675

CH₃CO^-

Acetyl anion

ch3co-

676

CH₃CO⁺

acetyl cation

ch3co+

677

CHONH₂

formamide

678

CH₂OOH

CH2OOH radical

ch2ooh

679

CH₃OO

methylperoxy radical

ch3oo

680

CH₃OO^-

methylperoxy anion

ch3oo-

681

CH₃OO⁺

methylperoxy cation

ch3oo+

682

CH₂CHOH

ethenol

ch2choh

683

H₂CONH₂⁺

protonated formamide

h2conh2+

684

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

685

CH₂(OH)₂

methanediol

ch2o2h2

686

CH₃OOH

Methyl peroxide

ch3ooh

687

H₂OH₂CO

water formaldehyde dimer

h2oh2co

688

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

689

CH₃CH₂O

Ethoxy radical

ethoxy

690

CH₃OCH₂

methoxymethyl radical

ch3och2

691

CH₃CH₂OH

Ethanol

etoh

692

CH₃OCH₃

Dimethyl ether

meome

693

CH₃OHH₂O

methanol water dimer

ch3ohh2o

694

H₂OCH₃OH

water methanol dimer

h2och3oh

695

CuF₂

Copper difluoride

cuf2

696

ZnF₂

Zinc difluoride

znf2

697

FCN

Cyanogen fluoride

fcn

698

ClCN

chlorocyanogen

clcn

699

ICN

Cyanogen iodide

icn

700

FBO

Boron monofluoride monoxide

fbo

701

BeF₂

Beryllium fluoride

bef2

702

MgF₂

Magnesium fluoride

mgf2

703

BeCl₂

Beryllium chloride

becl2

704

MgCl₂

Magnesium dichloride

mgcl2

705

CaCl₂

Calcium Chloride

cacl2

706

ZnCl₂

Zinc dichloride

zncl2

707

BeBr₂

Beryllium bromide

bebr2

708

CaBr₂

Calcium dibromide

cabr2

709

CaF₂

Calcium difluoride

caf2

710

FCO

Carbonyl fluoride

fco

711

FCO⁺

Carbonyl fluoride cation

fco+

712

ClCO

carbonyl monochloride

clco

713

FNO

Nitrosyl fluoride

fno

714

ClNO

Nitrosyl chloride

clno

715

BrNO

Nitrosyl bromide

brno

716

INO

Nitrosyl iodide

ino

717

CF₂^-

Difluoromethylene anion

cf2-

718

CF₂⁺

Difluoromethylene cation

cf2+

719

SiF₂

Silicon difluoride

sif2

720

CCl₂

dichloromethylene

ccl2

721

CCl₂^-

dichloromethylene anion

ccl2-

722

CCl₂⁺

dichloromethylene cation

ccl2+

723

SiCl₂

Dichlorosilylene

sicl2

724

GeF₂

Germanium difluoride

gef2

725

GeCl₂

Germanium dichloride

gecl2

726

FOO

Dioxygen monofluoride radical

foo

727

FOO⁺

Fluorine dioxide cation

foo+

728

ClOO

chloroperoxy radical

cloo

729

ClOO⁺

chloroperoxy cation

cloo+

730

OClO

Chlorine dioxide

oclo

731

OClO⁺

Chlorine dioxide cation

oclo+

732

ClS₂

Sulfur chloride

cls2

733

NF₂

Difluoroamino radical

nf2

734

NF₂⁺

Difluoroamino cation

nf2+

735

PF₂⁺

Phosphorus difluoride cation

pf2+

736

F₂O

Difluorine monoxide

f2o

737

SF₂^-

sulfur difluoride anion

sf2-

738

SF₂⁺

sulfur difluoride cation

sf2+

739

Cl₂O

Dichlorine monoxide

cl2o

740

SCl₂

Sulfur dichloride

scl2

741

SeF₂

Selenium difluoride

sef2

742

BrOCl

Bromine hypochlorite

brocl

743

SeCl₂

Selenium Dichloride

secl2

744

SBr₂

Sulfur dibromide

sbr2

745

SeBr₂

Selenium dibromide

sebr2

746

BrOBr

Bromine oxide

brobr

747

F₃^-

trifluoride anion

f3-

748

Cl₃^-

trichloride anion

cl3-

749

Br₃^-

tribromide anion

br3-

750

I₃^-

triiodide

i3-

751

HCCF

Fluoroacetylene

hccf

752

HCCF⁺

fluoroacetylene cation

hccf+

753

HCCCl

Chloroacetylene

hcccl

754

HFCO

formyl fluoride

hfco

755

HFCO⁺

formyl fluoride cation

hfco+

756

COHCl

Formyl chloride

cohcl

757

COHBr

Formyl bromide

cohbr

758

BHF₂

Difluoroborane

bhf2

759

BHCl₂

Borane, dichloro-

bhcl2

760

CHF₂

difluoromethyl radical

chf2

761

HOClO

Chlorous acid

hoclo

762

CH₂F₂

Methane, difluoro-

ch2f2

763

CH₂FCl

fluorochloromethane

ch2fcl

764

CH₂FI

fluoroiodomethane

ch2fi

765

CH₂Br₂

dibromomethane

ch2br2

766

CH₂ClI

chloroiodomethane

ch2cli

767

CH₂BrI

bromoiodomethane

ch2bri

768

CH₂I₂

Diiodomethane

ch2i2

769

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

770

CH₂CHF

Ethene, fluoro-

ch2chf

771

CH₂CHF⁺

fluoroethene cation

ch2chf+

772

C₂H₃Cl

Ethene, chloro-

ch2chcl

773

C₂H₃Br

vinyl bromide

c2h3br

774

C₂H₃I

Vinyl iodide

c2h3i

775

CH₃OCl

methyl hypochlorite

ch3ocl

776

C₂H₅F

fluoroethane

c2h5f

777

CH₃CH₂Cl

Ethyl chloride

c2h5cl

778

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

779

C₂H₅Br

Ethyl bromide

etbr

780

C₂H₅I

Ethyl iodide

c2h5i

781

KrF₂

Krypton difluoride

krf2

782

XeF₂

Xenon difluoride

xef2

783

B₄H₁₀

Tetraborane(10)

b4h10

784

C₄⁺

Carbon tetramer cation

c4+

785

C₄H₂

Diacetylene

c4h2

786

C₂H₃CCH

1-Buten-3-yne

c2h3cch

787

C₄H₄

cyclobutadiene

cbd

788

H₂CCCCH₂

Butatriene

h2cccch2

789

C₄H₆

1-Methylcyclopropene

c3100047

790

C₄H₆

Cyclobutene

c822355

791

C₄H₆

Methylenecyclopropane

c6142730

792

CH₂CCHCH₃

1,2-Butadiene

butad12

793

CH₂CHCHCH₂

1,3-Butadiene

c106990

794

CH₃CCCH₃

2-Butyne

c503173

795

CHCCH₂CH₃

1-Butyne

c107006

796

CH₃CHCHCH₂

methylallyl radical

c4h7

797

C₄H₈

methylcyclopropane

mcp

798

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

799

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

800

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

801

B(CH₃)₃

trimethylborane

bme3

802

Al(CH₃)₃

trimethyl aluminum

tma

803

C(CH₃)₃

Tert-butyl radical

tbutyl

804

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

805

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

806

CH₃CH(CH₃)CH₃

Isobutane

isobutane

807

SiH(CH₃)₃

trimethylsilane

trimsi

808

Li₃N

trilithium nitride

li3n

809

C₂N₂⁺

Cyanogen cation

c2n2+

810

P₄

Phosphorus tetramer

811

HCCCN

Cyanoacetylene

hcccn

812

C₃H₃N

acrylonitrile

ch2chcn

813

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

814

C₂H₅CN

ethyl cyanide

c2h5cn

815

CH₅N₃

Guanidine

guanidine

816

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

817

CH₆N₃⁺

guanidinium

ch6n3+

818

C₃H₇N

Cyclopropylamine

cpram

819

C₃H₇N

Azetidine

azet

820

C₂H₈N₂

Ethylenediamine

ethdiam

821

CH₃NHNHCH₃

dimethyl hydrazine

dmh

822

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

823

N(CH₃)₃

Trimethylamine

trimeam

824

P(CH₃)₃

trimethylphosphine

tmp

825

As(CH₃)₃

trimethyl arsine

tmas

826

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

827

Li₂O₂

dilithium dioxide

li2o2

828

Na₂O₂

disodium dioxide

na2o2

829

K₂O₂

dipotassium dioxide

k2o2

830

B₂O₂

Diboron dioxide

b2o2

831

CO₃

Carbon trioxide

co3

832

CO₃^--

carbonate

co3--

833

NO₃

Nitrogen trioxide

no3

834

NO₃⁺

nitrogen trioxide cation

no3+

835

SO₃^-

Sulfur trioxide anion

so3-

836

SO₃^--

Sulfate dianion

so3--

837

SO₃⁺

Sulfur trioxide cation

so3+

838

SeO₃

selenium trioxide

seo3

839

TeO₃

Tellurium trioxide

teo3

840

HCO₃^-

bicarbonate anion

hco3-

841

HNO₃

Nitric acid

hno3

842

HSO₃

Hydroxysulfonyl radical

hso3

843

C₂H₂CO

cyclopropenone

c2h2co

844

HCCCHO

2-propynal

hcccho

845

C₂H₂O₂

Ethanedial

c2h2o2

846

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

847

H₂CO₃

Carbonic acid

h2co3

848

H₂CS₃

thiocarbonic acid

h2cs3

849

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

850

H₂SO₃

Sulfurous acid

h2so3

851

C₂H₃NO

Nitrosoethylene

c2h3no

852

CH₃COO^-

acetate anion

ch3coo-

853

CH₃ONO

Methyl nitrite

ch3ono

854

NH₂COOH

Carbamic acid

nh2cooh

855

H₃BO₃

Boric acid

h3bo3

856

H₃CO₃⁺

carbonic acid, protonated

h3co3+

857

C₃H₄O

2-Propyn-1-ol

c107197

858

C₃H₄O

allenol

c9000071

859

C₃H₄O

Cyclopropanone

cpone

860

C₃H₄O

Methylketene

c6004440

861

CH₂CHCHO

Acrolein

c3h4o

862

NH₂CONH₂⁺

Urea cation

urea+

863

NH₂CSNH₂

Thiourea

thiourea

864

C₂H₄O₂

1,3-dioxetane

c2h4o2

865

CH₃COOH

Acetic acid

ch3cooh

866

CH₃OCHO

methyl formate

ch3ocho

867

CHOCH₂OH

hydroxy acetaldehyde

haa

868

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

869

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

870

HCOOHH₂O

Formic acid water dimer

hcoohh2o

871

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

872

CH₃COCH₂

Acetonyl radical

ch3coch2

873

CH₃CONH₂

Acetamide

acetamide

874

C₂H₅OO

ethylperoxy radical

c2h5oo

875

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

876

C₃H₆O

2-Propen-1-ol

c107186

877

C₃H₆O

Oxetane

oxetane

878

C₃H₆O

Propylene oxide

prox

879

CH₃COCH₃

Acetone

acetone

880

CH₃COCH₃^-

acetone anion

ch3coch3-

881

C₃H₆S

Thietane

thietane

882

C₃H₆S

Thiirane, methyl-

methiirane

883

CH₃CSCH₃

Thioacetone

ch3csch3

884

C₂H₆O₂

1,2-Ethanediol

ethdiol

885

CH₃OOCH₃

dimethylperoxide

dmp

886

CH₃SOCH₃

Dimethyl sulfoxide

dmso

887

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

888

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

889

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

890

HOCH₂CH₂NH₂

monoethanolamine

mea

891

C₃H₇OH

1-Propanol

proh

892

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

893

CH₃OC₂H₅

Ethane, methoxy-

etome

894

C₃H₇SH

1-Propanethiol

prsh

895

CH₃CHSHCH₃

2-Propanethiol

isoprsh

896

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

897

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

898

Na₂F₂

Sodium Fluoride Dimer

na2f2

899

Na₂Cl₂

Disodium dichloride

na2cl2

900

C₂F₂

difluoroacetylene

c2f2

901

C₂Cl₂

dichloroacetylene

c2cl2

902

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

903

ClNO₂

Nitryl chloride

clno2

904

ClONO

chlorine nitrite

clono

905

BrONO

Bromine nitrite

brono

906

N₂F₂

(Z)-Difluorodiazene

n2f2_z

907

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

908

CF₂O

Carbonic difluoride

f2co

909

COFCl

Carbonic chloride fluoride

cofcl

910

CCl₂O

Phosgene

cl2co

911

Cl₂CS

Thiophosgene

cl2cs

912

COBr₂

Carbonic dibromide

cobr2

913

BF₃

Borane, trifluoro-

bf3

914

BF₃^-

Borane, trifluoro- anion

bf3-

915

AlF₃

Aluminum trifluoride

alf3

916

BClF₂

Chlorodifluoroborane

bclf2

917

AlF₂Cl

Aluminum chloride difluoride

alclf2

918

ScF₃

Scandium trifluoride

ScF3

919

AlFCl₂

Aluminum dichloride fluoride

alcl2f

920

BCl₃⁺

Boron Trichloride cation

bcl3+

921

GaF₃

Gallium trifluoride

gaf3

922

AlCl₃

Aluminum trichloride

alcl3

923

GaCl₃

Gallium trichloride

gacl3

924

BBr₃

Boron tribromide

bbr3

925

AlBr₃

Aluminum Bromide

albr3

926

ClO₃

Chlorine trioxide

clo3

927

ClO₃^-

chlorate anion

clo3-

928

BrO₃^-

Bromate anion

bro3-

929

CF₃

Trifluoromethyl radical

cf3

930

CF₃^-

Trifluoromethyl anion

cf3-

931

CF₃⁺

Trifluoromethyl cation

cf3+

932

CCl₃

Trichloromethyl radical

ccl3

933

CCl₃^-

Trichloromethyl anion

ccl3-

934

CCl₃⁺

Trichloromethyl cation

ccl3+

935

SiCl₃

trichlorosilyl radical

sicl3

936

SiCl₃⁺

trichlorosilyl cation

sicl3+

937

FOOF

Perfluoroperoxide

foof

938

F₂SO

Thionyl Fluoride

f2so

939

ClOOCl

Dichlorine dioxide

cloocl

940

FSSF

Difluorodisulfane

fssf

941

S₂F₂

Thio-thionyl fluoride

s2f2

942

SOCl₂

thionyl chloride

socl2

943

SeOCl₂

selenium oxychloride

seocl2

944

NF₃

Nitrogen trifluoride

nf3

945

NF₃^-

Nitrogen trifluoride anion

nf3-

946

NF₃⁺

Nitrogen trifluoride cation

nf3+

947

PF₃

Phosphorus trifluoride

pf3

948

AsF₃

Arsenic trifluoride

asf3

949

PCl₃

Phosphorus trichloride

pcl3

950

SbF₃

Antimony Trifluoride

sbf3

951

SbCl₃

Antimony Trichloride

sbcl3

952

PBr₃

Phosphorus tribromide

pbr3

953

AsBr₃

Arsenic tribromide

asbr3

954

NI₃

Nitrogen triiodide

ni3

955

PI₃

Phosphorus triiodide

pi3

956

ClSSCl

Disulfur dichloride

s2cl2

957

SF₃

Sulfur trifluoride

sf3

958

BrF₃

Bromine trifluoride

brf3

959

IF₃

iodone trifluoride

if3

960

CHF₃

Methane, trifluoro-

chf3

961

CHF₂Cl

difluorochloromethane

chf2cl

962

CHFCl₂

fluorodichloromethane

chfcl2

963

CDCl₃

trichloromethane-d

cdcl3

964

CHCl₃

Chloroform

chcl3

965

CHBrF₂

Methane, bromodifluoro-

chbrf2

966

SiHCl₃

Trichlorosilane

sihcl3

967

CHF₂I

difluoroiodomethane

chf2i

968

CHFClI

fluorochloroiodomethane

chfcli

969

CHCl₂I

dichloroiodomethane

chcl2i

970

CHClBr₂

Methane, dibromochloro-

chclbr2

971

CHBr₃

bromoform

chbr3

972

CHI₃

Iodoform

chi3

973

C₂H₂F₂

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

c2h2f2e

974

C₂H₂F₂

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

c2h2f2z

975

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

976

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

977

CHClCHCl

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

chclchcle

978

CHClCHCl

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

chclchclz

979

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

980

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

981

CH₃COF

Acetyl fluoride

ch3cof

982

CH₂ClCHO

chloroacetaldehyde

ch2clcho

983

CH₃COCl

Acetyl Chloride

ch3cocl

984

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

985

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

986

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

987

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

988

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

989

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

990

CH₂CFCH₃

2-fluoropropene

2fpro

991

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

992

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

993

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

994

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

995

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

996

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

997

CH₃CH₂CH₂Br

n-propyl bromide

prbr

998

CH₃CHBrCH₃

i-propyl bromide

iprbr

999

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1000

C₅H₅

cyclopentadienyl radical

c5h5

1001

C₅H₅^-

cylopentadienyl anion

c5h5-

1002

C₅H₆

1,3-Cyclopentadiene

c542927

1003

C₅H₆

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

c78808

1004

C₅H₆

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

c2004695

1005

C₅H₆

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

c1574409

1006

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1007

C₅H₆

Cyclopropylacetylene

c6746947

1008

C₅H₇

1,3-pentadienyl radical

pdyl

1009

C₅H₇

cyclopentenyl radical

cpyl

1010

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1011

C₅H₈

1,2-Pentadiene

c591957

1012

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1013

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1014

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1015

C₅H₈

1,4-Pentadiene

c591935

1016

C₅H₈

1-pentyne

a1pentyne

1017

C₅H₈

2,3-Pentadiene

c591968

1018

C₅H₈

Cyclobutane, methylene-

c1120565

1019

C₅H₈

Cyclopentene

c142290

1020

C₅H₈

Ethenylcyclopropane

c693867

1021

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1022

C₅H₁₀

1-Butene, 2-methyl-

c563462

1023

C₅H₁₀

2-Butene, 2-methyl-

c513359

1024

C₅H₁₀

2-Pentene, (E)-

c646048

1025

C₅H₁₀

2-Pentene, (Z)-

c627203

1026

C₅H₁₀

Cyclopentane

c287923

1027

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1028

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1029

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1030

C₅H₁₂

Butane, 2-methyl-

buta2

1031

C₅H₁₂

Pentane

pentane

1032

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1033

Si(CH₃)₄

tetramethylsilane

tms

1034

N₂O₃

Dinitrogen trioxide

n2o3

1035

C₃H₂N₂

Malononitrile

c3h2n2

1036

CH₂N₄

1H-Tetrazole

1htz

1037

C₃H₃N₂

imidazolyl radical

1038

C₃H₃N₂^-

imidizolyl anion

im-

1039

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1040

C₄H₄N

pyrrolide radical

c4h4n

1041

C₄H₄N^-

pyrrolide anion

c4h4n-

1042

C₃H₄N₂

1H-Pyrazole

1hpyraz

1043

C₄H₅N

(E)-2-Butenenitrile

c627269

1044

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1045

C₄H₅N

2H-pyrrole

pyrrole2

1046

C₄H₅N

3H-pyrrole

pyrrole3

1047

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1048

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1049

C₃H₆N₂

3-Aminopropionitrile

c151188

1050

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1051

CH₃CH₂CH₂CN

Butanenitrile

c109740

1052

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1053

C₅H₈

Spiropentane

c157404

1054

C₄H₉N

Cyclobutylamine

cbam

1055

C₄H₉N

Pyrrolidine

pyrrolidine

1056

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1057

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1058

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1059

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1060

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1061

NH(C₂H₅)₂

diethylamine

dea

1062

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1063

C₃O₂⁺

Carbon suboxide cation

c3o2+

1064

B₂O₃

diboron trioxide

b2o3

1065

CaCO₃

Calcium Carbonate

caco3

1066

ONONO

Nitrosyl nitrite

onono

1067

PO₄^---

phosphate

po4---

1068

SO₄^--

sulfate

so4--

1069

HOONO₂

peroxy nitric acid

hoono2

1070

HSO₄^-

bisulfate anion

hso4-

1071

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1072

C₃H₂O₂

Propiolic acid

c3h2o2

1073

CHOCOOH

oxo acetic acid

oaa

1074

H₂SO₄

Sulfuric acid

h2so4

1075

H₂SeO₄

Selenic acid

h2seo4

1076

C₃H₃NO

Isoxazole

isox

1077

C₃H₃NO

Oxazole

oxazole

1078

C₃H₃NS

Thiazole

thiazole

1079

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1080

CH₃NO₃

Methyl nitrate

ch3no3

1081

H₃PO₄

Phosphoric Acid

h3po4

1082

C₄H₄O

Furan

furan

1083

C₄H₄O⁺

Furan cation

furan+

1084

C₄H₄S

Thiophene

furans

1085

C₃H₄O₂

β–Propiolactone

beta

1086

C₃H₄O₂

2-Propenoic acid

propenoic2

1087

C₃H₄O₂

Methyl glyoxal

megly

1088

C₃H₄O₂

propanedial

1089

C₃H₄O₂

propenalol

1090

HOCHCCHOH

allenediol

aldiol

1091

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1092

C₂H₄O₃

trioxolane124

triox

1093

HOCH₂COOH

Hydroxyacetic acid

hac

1094

CH₂CHCONH₂

Acrylamide

c79061

1095

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1096

CH₅N₃S

Hydrazinecarbothioamide

c79196

1097

H₂NCH₂COOH

Glycine

glycine

1098

C₄H₆O

cis-2-butenal

butenal2c

1099

C₄H₆O

Cyclobutanone

cbutone

1100

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1101

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1102

CH₂CHOCHCH₂

Vinyl ether

vinylether

1103

CHOCHCHCH₃

2-Butenal

butenal2

1104

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1105

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1106

C₂H₆N₂O

Urea, methyl-

c598505

1107

C₃H₆O₂

1,3-Dioxolane

dioxolane

1108

CH₃CH₂COOH

Propanoic Acid

propanoic

1109

CH₃COOCH₃

methyl acetate

aame

1110

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1111

C₃H₇NO

dimethylformamide

dmf

1112

C₃H₇NO

Propanamide

propanam

1113

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1114

C₄H₈O

Cyclobutanol

c2919235

1115

C₄H₈O

Furan, tetrahydro-

thf

1116

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1117

CH₃COCH₂CH₃

2-Butanone

buta2one

1118

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1119

CHOCH₂CH₂CH₃

Butanal

butanal

1120

C₃H₈O₂

1,3-Propanediol

c504632

1121

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1122

C₃H₈O₂

Methane, dimethoxy-

c109875

1123

C₃H₈O₂

Propylene glycol

c57556

1124

C₃H₈S₂

1,3-Propanedithiol

c109808

1125

C₄H₁₀O

1-Butanol

butanol1

1126

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1127

C₄H₁₀O

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

butanol2

1128

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1129

C₄H₁₀O

Ethoxy ethane

etoet

1130

C₄H₁₀O

Propane, 2-methoxy-

c598538

1131

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1132

C₂H₅SC₂H₅

Diethyl sulfide

etset

1133

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1134

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1135

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1136

FNO₃

Fluorine nitrate

fno3

1137

ClONO₂

Chlorine nitrate

clono2

1138

BrONO₂

Bromine nitrate

brono2

1139

TiCl₄

Titanium tetrachloride

ticl4

1140

ClO₄^-

perchlorate anion

clo4-

1141

BF₄^-

tetrafluoroboron anion

bf4-

1142

ClFO₃

Perchloryl fluoride

clfo3

1143

SO₂F₂

Sulfuryl fluoride

so2f2

1144

SO₂Cl₂

Sulfuryl chloride

so2cl2

1145

F₃NO

Nitrogen trifluoride oxide

f3no

1146

F₃PO

Phosphoryl fluoride

pf3o

1147

Cl₃PO

Phosphoryl chloride

pcl3o

1148

CF₄

Carbon tetrafluoride

cf4

1149

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1150

SiF₄

Silicon tetrafluoride

sif4

1151

CF₂Cl₂

difluorodichloromethane

cf2cl2

1152

TiF₄

Titanium tetrafluoride

tif4

1153

CFCl₃

Trichloromonofluoromethane

cfcl3

1154

GeF₄

Germanium tetrafluoride

gef4

1155

CCl₄

Carbon tetrachloride

ccl4

1156

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1157

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1158

SiCl₄

Silane, tetrachloro-

sicl4

1159

CF₃I

trifluoroiodomethane

cf3i

1160

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1161

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1162

GeCl₄

Germanium Tetrachloride

gecl4

1163

CCl₃I

trichloroiodomethane

ccl3i

1164

CFBr₃

fluorotribromomethane

cfbr3

1165

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1166

CF₂I₂

difluorodiiodomethane

cf2i2

1167

CBr₄

Carbon tetrabromide

cbr4

1168

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1169

SiBr₄

Silicon tetrabromide

sibr4

1170

CBr₃I

tribromoiododmethane

cbr3i

1171

GeBr₄

Germanium tetrabromide

gebr4

1172

CI₄

tetraiodomethane

ci4

1173

SiI₄

silicon tetraiodide

sii4

1174

ClOF₃

Chlorine trifluoride oxide

clof3

1175

SCl₄

Sulfur tetrachloride

scl4

1176

C₂HF₃

Trifluoroethylene

c2hf3

1177

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1178

CHClCCl₂

Trichloroethylene

chclccl2

1179

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1180

HClO₄

perchloric acid

hclo4

1181

HSO₃F

Fluorosulfonic acid

hso3f

1182

CF₃OH

trifluoromethanol

cf3oh

1183

CHClCCHCl

1,3-dichloroallene

chclcchcl

1184

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1185

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1186

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1187

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1188

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1189

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1190

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1191

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1192

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1193

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1194

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1195

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1196

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1197

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1198

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1199

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1200

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1201

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1202

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1203

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1204

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1205

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1206

CH₃CClCHCH₃

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

bute2cl2e

1207

CH₃CClCHCH₃

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

bute2cl2z

1208

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1209

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1210

C₄H₉F

1-fluorobutane

butaf1

1211

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1212

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1213

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1214

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1215

XeF₄

Xenon tetrafluoride

xef4

1216

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1217

C₆H₂

hexatriyne

c6h2

1218

C₆H₄

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

c6h4e

1219

C₆H₄

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

c6h4z

1220

C₆H₄

Benzyne

benzyne

1221

C₆H₅

phenyl

1222

C₆H₅^-

phenyl anion

phenyl-

1223

C₆H₆

2,4-Hexadiyne

hexadiyne

1224

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1225

C₆H₆

Benzene

benzene

1226

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1227

C₆H₆

Trimethylenecycopropane

tmcp

1228

C₆H₆⁺

Benzene cation

c6h6+

1229

C₆H₇⁺

benzene, protonated

c6h7+

1230

C₆H₈

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

c821078

1231

C₆H₈

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

c59660650

1232

C₆H₈

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

hexatri135

1233

C₆H₈

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

hetr234c

1234

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1235

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1236

C₆H₈

3-Methylenecyclopentene

c930267

1237

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1238

C₆H₈

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

c30830207

1239

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1240

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1241

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1242

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1243

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1244

C₆H₁₀

1,5-Hexadiene

c592427

1245

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1246

C₆H₁₀

1-Hexyne

hexyne1

1247

C₆H₁₀

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

hexdi24ee

1248

C₆H₁₀

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

hexdi24ez

1249

C₆H₁₀

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

hexdi24zz

1250

C₆H₁₀

2-Hexyne

c764352

1251

C₆H₁₀

3-Hexyne

hexyne3

1252

C₆H₁₀

cyclohexene

1253

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1254

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1255

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1256

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1257

C₆H₁₂

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

dmcb12t

1258

C₆H₁₂

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

dmcb13t

1259

C₆H₁₂

(E)-2-Hexene

e2hexene

1260

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1261

C₆H₁₂

(E)-hex-3-ene

e3hexene

1262

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1263

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1264

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1265

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1266

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1267

C₆H₁₂

3-methylenepentane

c760214

1268

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1269

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1270

C₆H₁₂

Cyclohexane

cyclohexane

1271

C₆H₁₂

Cyclopentane, methyl-

c96377

1272

C₆H₁₂

Ethylcyclobutane

c4806615

1273

C₆H₁₂

hex-1-ene

hexene1

1274

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1275

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1276

C₆H₁₄

Hexane

hexane

1277

C₆H₁₄

Pentane, 2-methyl-

penta2

1278

C₆H₁₄

Pentane, 3-methyl-

penta3

1279

C₄N₂

2-Butynedinitrile

c4n2

1280

C₄H₂N₂

Fumaronitrile

c4h2n2

1281

C₂H₂N₄

sym-tetrazine

ttz

1282

C₃H₃N₃

1,3,5-Triazine

triazine135

1283

CH₃N₅

5-Aminotetrazole

c4418615

1284

C₄H₄N₂

1,3-Diazine

diazine13

1285

C₄H₄N₂

Pyrazine

pyrazine

1286

C₄H₄N₂

Pyridazine

pyridazine

1287

C₄H₄N₂

Succinonitrile

c110612

1288

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1289

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1290

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1291

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1292

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1293

C₅H₅N

Pyridine

pyridine

1294

B₃N₃H₆

borazine

1295

C₆H₆

Fulvene

fulvene

1296

C₅H₆N⁺

Pyridinium

c5h6n

1297

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1298

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1299

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1300

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1301

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1302

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1303

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1304

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1305

C₅H₉N

Pentanenitrile

c110598

1306

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1307

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1308

C₅H₁₁N

Cyclopentanamine

cypentam

1309

C₅H₁₁N

Piperidine

piper

1310

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1311

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1312

Li₂CO₃

Lithium Carbonate

li2co3

1313

Na₂CO₃

Sodium Carbonate

na2co3

1314

C₂O₄^--

oxalate anion

c2o4

1315

MgSO₄

Magnesium Sulfate

mgso4

1316

N₂O₄

Dinitrogen tetroxide

n2o4

1317

C₂H₂O₄

Oxalic Acid

oxalic

1318

C₂H₃NO₃

Oxamic acid

oxamic

1319

C₄H₄O₂

2(5H)-Furanone

furanone

1320

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1321

C₂H₄N₂O₂

Oxalamide

oxalamide

1322

C₂H₄N₂S₂

Ethanedithioamide

c79403

1323

C₂H₄CO₃

Ethylene carbonate

etco3

1324

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1325

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1326

C₂H₄O₄

Formic acid dimer

fadimer

1327

C₄H₅NO

3-Methylisoxazole

isox3m

1328

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1329

C₄H₅NS

4-Methylthiazole

c693958

1330

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1331

C₅H₆O

2-methylfuran

furan2m

1332

C₅H₆O

3-Methylfuran

furan3m

1333

C₅H₆S

Thiophene, 2-methyl-

c554143

1334

C₅H₆S

Thiophene, 3-methyl-

c616444

1335

C₄H₆O₂

2,3-Butanedione

c431038

1336

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1337

C₄H₆O₂

Crotonic Acid

crot

1338

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1339

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1340

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1341

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1342

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1343

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1344

C₄H₆OS

Vinyl sulfoxide

c1115157

1345

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1346

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1347

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1348

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1349

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1350

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1351

C₄H₇NO

2-Pyrrolidinone

c616455

1352

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1353

C₄H₇NO

Methacrylamide

c79390

1354

C₄H₇NO

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

c1120645

1355

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1356

C₃H₇ONO

Propyl nitrite

prono

1357

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1358

CH₃CH(NH₂)COOH

Alanine

alanine

1359

CH₃NHCH₂COOH

Sarcosine

sarcosine

1360

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1361

NH₂COOC₂H₅

Urethane

urethane

1362

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1363

C₅H₈O

Cyclopentanone

c120923

1364

C₅H₈O

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

c1487156

1365

C₅H₈O

Methyl cyclopropyl ketone

c765435

1366

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1367

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1368

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1369

C₄H₈O₂

1,3-Dioxane

dioxan13

1370

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1371

C₄H₈O₂

1,4-Dioxane

dioxan14

1372

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1373

C₄H₈O₂

Ethyl acetate

c141786

1374

C₄H₈OS

s-Ethyl thioacetate

c625605

1375

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1376

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1377

C₄H₉NO

Butanamide

c541355

1378

C₄H₉NO

Propanamide, 2-methyl-

c563837

1379

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1380

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1381

C₅H₁₀O

2-methylbutyraldehyde

2meba

1382

C₅H₁₀O

2-Pentanone

mpk

1383

C₅H₁₀O

3-Pentanone

dek

1384

C₅H₁₀O

Cyclopentanol

c96413

1385

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1386

C₅H₁₀O

Pentanal

pal

1387

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1388

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1389

C₅H₁₀S

Cyclopentanethiol

c1679078

1390

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1391

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1392

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1393

C₄H₁₀O₂

1,3-Butanediol

budiol13

1394

C₄H₁₀O₂

1,4-Butanediol

budiol14

1395

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1396

C₄H₁₀OS

Diethyl sulfoxide

c70291

1397

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1398

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1399

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1400

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1401

C₅H₁₂O

1-Pentanol

pentanol1

1402

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1403

C₅H₁₂O

2-Pentanol

peol2

1404

C₅H₁₂O

3-Pentanol

pentan3ol

1405

C₅H₁₂O

Butane, 1-methoxy-

meobu

1406

C₅H₁₂O

Propane, 1-ethoxy-

proet

1407

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1408

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1409

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1410

C₅H₁₂S

1-Pentanethiol

c110667

1411

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1412

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1413

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1414

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1415

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1416

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1417

C₅H₁₂S

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

c6163640

1418

ClCOClCO

Oxalyl chloride

oxcl

1419

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1420

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1421

B₂F₄

Diboron tetrafluoride

b2f4

1422

B₂Cl₄

Diboron tetrachloride

b2cl4

1423

C₂F₄

Tetrafluoroethylene

c2f4

1424

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1425

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1426

C₂FCl₃

fluorotrichloroethene

c2fcl3

1427

C₂Cl₄

Tetrachloroethylene

c2cl4

1428

C₂Br₄

tetrabromoethene

c2br4

1429

CF₃OF

Trifluoromethylhypofluorite

cf3of

1430

SOF₄

Sulfur tetrafluoride oxide

sof4

1431

PF₅

Phosphorus pentafluoride

pf5

1432

AsF₅

Arsenic pentafluoride

asf5

1433

PCl₅

Phosphorus pentachloride

pcl5

1434

SF₅

Sulfur pentafluoride

sf5

1435

SF₅⁺

pentafluoro sulfur cation

sf5+

1436

SbCl₅

Antimony pentachloride

sbcl5

1437

BrF₅

bromine pentafluoride

brf5

1438

ClF₅

chlorinepentafluoride

clf5

1439

IF₅

pentafluoroiodine

if5

1440

CF₃CHO

trifluoroacetaldehyde

cf3cho

1441

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1442

CHFClCHClF

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

chfclchclf

1443

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1444

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1445

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1446

CHFClCHFCl

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

chfclchfcl

1447

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1448

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1449

CF₃COOH

trifluoroacetic acid

cf3cooh

1450

C₄H₃ClO

Furan, 2-chloro

fur2cl

1451

C₄H₃ClO

Furan,3-chloro

fur3cl

1452

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1453

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1454

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1455

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1456

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1457

C₄H₈Cl₂

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

c2211678

1458

C₄H₈Cl₂

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

c4028562

1459

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1460

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1461

C₆H₅CH₂

benzyl radical

benzyl

1462

C₆H₅CH₃

toluene

1463

C₇H₈

cycloheptatriene

cht

1464

C₇H₈

Norbornadiene

norbor

1465

C₇H₈

Quadricyclane

qucy

1466

C₇H₁₂

Norbornane

nor

1467

C₇H₁₄

cycloheptane

c7h14

1468

C₇H₁₆

2-methylhexane

2mhex

1469

C₇H₁₆

3-methylhexane

hex3m

1470

C₇H₁₆

heptane

1471

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1472

C₆H₇N

2-Methylpyridine

1473

C₆H₅NH₂

aniline

1474

C₆H₁₃N

2-Methylpiperidine

pip2m

1475

C₆H₁₃N

cyclohexanamine

cham

1476

C₆H₁₅N

triethylamine

tea

1477

N₂O₅

Dinitrogen pentoxide

n2o5

1478

C₄H₂O₃

Maleic Anhydride

malan

1479

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1480

C₅H₄O₂

furfural

1481

C₆H₅O

phenoxy radical

phenoxy

1482

C₅H₅NO

2(1H)-Pyridinone

c72762006

1483

C₅H₅NO

2(3H)-Pyridinone

c9000048

1484

C₅H₅NO

2(5H)-Pyridinone

c9000037

1485

C₅H₅NO

2-Pyridinol

c109104

1486

C₅H₅NO

3(2H)-Pyridinone

c9000004

1487

C₅H₅NO

3(4H)-Pyridinone

c9000026

1488

C₅H₅NO

3(6H)-Pyridinone

c9000015

1489

C₅H₅NO

3-Pyridinol

c109002

1490

C₅H₅NO

4(1H)-Pryidinone

c9000060

1491

C₅H₅NO

4(3H)-Pryidinone

c9000059

1492

C₅H₅NO

4-Pyridinol

c626642

1493

C₆H₅OH

phenol

1494

C₆H₆O

2,4-Cyclohexadienone

c24599573

1495

C₆H₆O

2,5-Cyclohexadienone

c5664335

1496

C₆H₅SH

Benzenethiol

phsh

1497

HO₂CCHNH₂CH₂OH

Serine

serine

1498

C₅H₈O₂

Acetylacetone

acac

1499

C₄H₈O₂S

Sulfolane

sulfolane

1500

C₇H₁₀

Norbornene

norbornene

1501

CH(C₂H₃)₃

trivinyl methane

tvm

1502

C₆H₁₀O

cyclohexanone

chexo

1503

C₆H₁₂O

hexanal

c6h12o

1504

C₃H₇OC₃H₇

di-n-propyl ether

propr

1505

CF₃COF

trifluoroacetyl fluoride

cf3cof

1506

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1507

PF₆

Hexafluorophosphate neutral

pf6

1508

PF₆^-

Hexafluorophosphate ion

pf6-

1509

SeF₆

Selenium hexafluoride

sef6

1510

SF₅Cl

sulfur chloropentafluoride

sf5cl

1511

CF₃CHF₂

pentafluoroethane

cf3chf2

1512

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1513

CF₃CHCl₂

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

cf3chcl2

1514

CHCl₂CClF₂

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

chcl2cclf2

1515

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1516

C₆H₅F

Fluorobenzene

bzf

1517

C₆H₅Cl

chlorobenzene

bzcl

1518

C₆H₅Br

bromobenzene

bzbr

1519

C₈H₆

Calicene

calicene

1520

C₆H₅CCH

phenylacetylene

phac

1521

C₈H₆

benzocyclobutadiene

bcbd

1522

C₈H₆

Pentalene

pentalene

1523

C₆H₅CHCH₂

Styrene

styrene

1524

C₈H₈

cubane

1525

C₈H₈

cyclooctatetraene

cot

1526

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1527

CH₃C₆H₄CH₃

meta-xylene

mxylene

1528

CH₃C₆H₄CH₃

paraxylene

pxylene

1529

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1530

C₈H₁₆

cyclooctane

cyclooct

1531

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1532

C₈H₁₈

Octane

c8h18

1533

C₆H₅CN

phenyl cyanide

phcn

1534

C₆H₁₂N₂

Triethylenediamine

ted

1535

C₄O₄^--

squarate dianion

c4o4--

1536

S₈

Octasulfur

1537

C₆H₄O₂

parabenzoquinone

pbq

1538

C₄H₄N₂O₂

Uracil

uracil

1539

C₆H₅CHO

benzaldehyde

benzal

1540

C₆H₅OCH₃

Anisole

anisole

1541

C₅H₉NO₂

Proline

proline

1542

C₆H₁₂O₂

Methyl pivalate

c598981

1543

C₆H₁₂O₂

Hexanoic acid

hexa

1544

C₄F₄

tetrafluorcyclobutadiene

c4f4

1545

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1546

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1547

CF₂ClCF₂Cl

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

cf2clcf2cl

1548

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1549

CF₂ClCFCl₂

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

cf2clcfcl2

1550

CF₃CCl₃

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

cf3ccl3

1551

C₂F₆

hexafluoroethane

c2f6

1552

IF₇

Iodine heptafluoride

if7

1553

C₆H₄F₂

metadifluorobenzene

mdfb

1554

C₆H₄F₂

orthodifluorobenzene

odfb

1555

C₆H₄F₂

1,4-difluorobenzene

pdfb

1556

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1557

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1558

C₉H₈

Indene

indene

1559

C₉H₈

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

snt

1560

C₉H₁₂

n-propyl benzene

prbz

1561

C₉H₂₀

Nonane

nonane

1562

C(CN)₄

tetracyanomethane

c5n4

1563

C₅H₄N₄

purine

1564

C₈H₇N

Indole

indole

1565

C₃H₃N₃O₃

cyanuric acid

cyanuric

1566

C₆H₅NO₂

Nitrobenzene

c6h5no2

1567

C₆H₅COOH

benzoic acid

benzo

1568

CH₃COC₆H₅

acetophenone

acph

1569

C₃Cl₃N₃

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

c3cl3n3

1570

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1571

C₈H₁₈O

1-Octanol

octanol

1572

C₁₀H₈

Azulene

azu

1573

C₁₀H₈

naphthalene

naph

1574

C₁₀H₁₀

bullvalene

bullv

1575

C₁₀H₁₆

adamantane

1576

C₆N₄

Tetracyanoethylene

tcne

1577

C₆N₄^-

tetracyanoethylene anion

tcne-

1578

C₁₀H₂₂

Decane

decane

1579

C₄F₆

perfluorobutadiene

c4f6

1580

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1581

C₃F₈

perfluoropropane

c3f8

1582

Fe(CO)₅

Iron pentacarbonyl

ipc

1583

Fe(C₅H₅)₂

ferrocene

fecp2

1584

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1585

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1586

C₁₂H₈

Acenaphthylene

acenaph

1587

C₁₂H₈

biphenylene

biph

1588

C₁₂H₁₀

biphenyl

1589

C₁₂H₁₀

Heptalene

heptalene

1590

C₆H₁₂O₆

Inositol

inositol

1591

C₆F₆

hexafluorobenzene

c6f6

1592

S₂F₁₀

disulphur decafluoride

s2f10

1593

C₁₃H₁₀

Fluorene

fluorene

1594

C₁₄H₁₀

Anthracene

anth

1595

C₁₄H₁₀

Phenanthrene

phenanthrene

1596

C₁₄H₁₄

Bibenzyl

bibenzyl

1597

C₁₂H₁₀N₂

azobenzene

1598

C₆H₅COC₆H₅

benzophenone

1599

C₁₆H₁₀

Pyrene

pyrene

1600

C₁₈H₁₂

Tetracene

tetracene

1601

C₁₉H₁₆

Triphenylmethane

tpm

1602

C₂₄H₁₂

Coronene

coronene

1603

C₆₀

Buckminsterfullerene

c60

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
	Home All data for one species Geometry Experimental Experimental Geometries Same bond/angle many molecules Internal Coordinates by type Bond angles Calculated Calculated geometry Rotational constant Moments of inertia Products of moments of inertia BSE Bond lengths Show me a calculated geometry Comparisons Bonds, angles Rotational Constants Products of moments of inertia Point group Bad Calculations Bad moment of inertia Tutorials and Explanations Angle formulas Vibrations Experimental Vibrational frequencies Calculated Frequencies Scale factors Reactions Entropies Ions List Ions Energy Calculated Ionization Energy Compare Ionzation energy Electron Affinity Calculated Electron affinity Compare Electron affinity Proton Affinity Calculated Proton affinity Compare Proton affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Enthalpy of formation Entropy Integrated Heat Capacity Heat Capacity Rotational Constants Vibrational Frequencies Dipole moment Ionization Energy Polarizability Quadrupole Point Groups Geometry Experimental Geometries Internal Coordinates by type Bond angles Rotational Constants Point Groups Diatomic bond lengths Vibrations Vibrational frequencies Diatomic Triatomics Energy Atomization Energy Internal Rotation Electrostatics Dipole Quadrupole Polarizability Reference Data Reference states Spin Splittings Molecules with good enthalpy Enthalpy at 0 Kelvin Calculated Energy Optimized Energy Energy 298K Minimum conformation Hydrogen bonds H bond with counterpoise Reaction Reaction Energy 0K Reaction Energy 298K Internal Rotation Barriers to internal rotation Rotational barrier and dipole Rotational Barrier 2 molecules Orbital HOMO LUMO gap HOMO Orbital Energies Nuclear repulsion energy Correlation Full vs Frozen core energies Partial correlation energies Ion Calculated Ionization Energy Vertical ionization Energy Calculated Electron affinity Calculated Proton affinity Atom charge differences Excited State Singlet triplet gap Electronic state Transition state Basis Set Extrapolation BSE energy BSE Bond lengths Geometry Calculated geometry AIM bond orders One type of bond Rotation Rotational constant Products of moments of inertia Moments of inertia Inertial defects Second moments Point group State symmetry <r2> Sorted by r2 Z-matrix Bad Calculations Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Frequencies Animated vibrations Anharmonic Zero point energy (ZPE) Scale Factors Scale factors Scale factor uncertainty Calculate a scale factor Why scale vibrations Set scaling factors Bad Calculations Bad Vib. HF vs MP2 Bad vib. Calc. vs exp. Big anharmonicity Electrostatics Charges Mulliken CHELP Aim ESP Dipole Dipole Dipole angle Dipole calculation types Quadrupole Polarizability Spin Spin density Entropy and Heat Capacity Entropy Reaction entropy Heat Capacity Reaction Reaction Energy 0K Reaction Energy 298K Isodesmic reactions Transition State Transition state Transition state frequencies Transition state geometries IRC Lookup by property By frequency Comparisons Geometry Bonds, angles Bond, angle, or dihedral DFT grid size on point group DFT grid on bond length Core correlation - bond length Same bond/angle many molecules Isoelectronic diatomics Isoelectronic triatomic angles Average bond lengths Rotation Rotational Constants Products of moments of inertia Point group Vibrations Vibrations 2 calculations Frequency differences One frequency Zero point energy Intensity Intensity for one mode Vibrational intensities Reduced mass comparison Anharmonic Triatomic Scale factors Energy Reaction Reaction Energy 0K Reaction Energy 298K Atomization 0K Atomization 298K Single point vs optimized DFT grid size on energy Semiempirical enthalpy Internal rotation Similar molecules Conformation Sets of isomers Sets of tautomers Isomers Entropy Entropy Heat capacity Entropy of several molecules Integrated heat capacity Reaction entropy Electrostatics Dipole Polarizability Several molecules Quadrupole Ion Compare Ionzation energy Koopman ionization energy Koopman IE for a few molecules Compare Electron affinity Compare Proton affinity Protonation Site Resources Info on Results Calculations Done Method and basis set List molecules One molecule Multiple conformers, states Multiple conformers, states Basis functions used I/O files Input/output files MOL file Z-matrix wfn files Glossary Conversion Forms B to I, I to B Angle formulas Integrated heat Capacity Calculating Enthalpy Links NIST Links NIST webbook bibliographic data CCCBDB Experimental data External links Basis Set Exchange Computational Chemistry List Thermochemistry in Gaussian Minnesota Database Collection Benchmark Energy and Geometry Point Groups Thermochemistry Thermochemistry Molecules with good enthalpy A → B + C Reference states Tutorials Vibrations Why scale vibrations Zero-point energies Entropy Methyl rotor entropy Entropy and conformations Energy Getting enthalpy of formation Vertical vs adiabatic IE Thermo from calculations Electrostatics Dipole parts by point group Quadrupoles Geometry Angle formulas Cost Cost Comparison Timings Comparison Bad Calculations Geometry Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Bad vib. Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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