CCCBDB List of Species with completed calculations

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List of which calculations are completed at ROHF /aug-cc-pVDZ

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom
6	He⁺	Helium atom cation	²S	K_h
7	HeH⁺	Helium hydride cation	¹Σ	C_∞v
8	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
9	Li	Lithium atom	²S	K_h
10	Li⁺	Lithium atom cation	¹S	K_h
11	Na	Sodium atom	²S	K_h
12	Na^-	Sodium atom anion	¹S	K_h
13	LiH⁺	lithium hydride cation	²Σ	C_∞v
14	NaH⁺	sodium hydride cation	²Σ	C_∞v
15	Be⁺	Beryllium atom cation	²S	K_h
16	Mg^-	Magnesium atom anion	²P	K_h
17	Mg⁺	Magnesium atom cation	²S	K_h
18	BeH	beryllium monohydride	²Σ	C_∞v
19	MgH	magnesium monohydride	²Σ	C_∞v
20	TiH	Titanium monohydride	⁴Φ	C_∞v
21	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
22	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
23	BeH₂⁺	Beryllium dihydride cation
24	B	Boron atom	²P	K_h
25	B	Boron atom	⁴P	K_h
26	B⁺	Boron atom cation	¹S	K_h
27	Al	Aluminum atom	²P	K_h
28	Al^-	Aluminum atom anion	³P	K_h
29	Al⁺	Aluminum atom cation	¹S	K_h
30	Sc	Scandium atom	²D	K_h
31	Sc⁺	Scandium cation	³D	K_h
32	Ga	Gallium atom	²P
33	Ga^-	Gallium atom anion	³P	O_h
34	Ga⁺	Gallium atom cation	¹S
35	BH	Boron monohydride	³Π	C_∞v
36	BH^-	boron monohydride anion	⁴Σ	C_∞v
37	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
38	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
39	BH₂^-	boron dihydride anion	³B₁	C_2v
40	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
41	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
42	BH₃⁺	boron trihydride cation	²E^'	D_3h
43	BH₃⁺	boron trihydride cation	²B₂	C_2v
44	BH₃⁺	boron trihydride cation		C_2v
45	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
46	AlH₃^-	aluminum trihydride anion		C_3v
47	AlH₃⁺	aluminum trihydride cation	²E	D_3h
48	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
49	BH₄	borohydride	²B₂	C_2v
50	BH₄^-	borohydride anion	¹A₁	T_d
51	C	Carbon atom	³P₀	K_h
52	C^-	Carbon atom anion	²D	K_h
53	C⁺	Carbon atom cation	²P	K_h
54	Si	Silicon atom	³P	K_h
55	Si^-	Silicon atom anion	⁴S	K_h
56	Si⁺	Silicon atom cation	²P	K_h
57	Ge	Germanium atom	³P	K_h
58	Ge^-	Germanium anion	⁴S	K_h
59	Ge⁺	Germanium cation	²P	K_h
60	CH	Methylidyne	²Π_1/2	C_∞v
61	SiH	Silylidyne	²Π	C_∞v
62	SiH^-	silicon monohydride anion	³Σ	C_∞v
63	GeH	germylidene	²Π	C_∞v
64	CH₂	Methylene	³B₁	C_2v
65	CH₂	Methylene	³Σ_G	D_∞h
66	CH₂^-	methylene anion	²B₁	C_2v
67	CH₂⁺	methylene cation	²A₁	C_2v
68	CH₂⁺	methylene cation	²Π	D_∞h
69	SiH₂	silicon dihydride	³B₁	C_2v
70	SiH₂^-	silicon dihydride anion	²B₁	C_2v
71	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
72	GeH₂	germylene	¹A₁	C_2v
73	GeH₂^-	germylene anion	²B₁	C_2v
74	CH₃	Methyl radical	²A₁	D_3h
75	CH₃^-	methyl anion	¹A₁	C_3v
76	CH₃⁺	methyl cation	¹A₁^'	D_3h
77	SiH₃	Silyl radical	²A₁	C_3v
78	SiH₃^-	Silyl anion	¹A₁	C_3v
79	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
80	GeH₃	Germyl radical	²A₁	C_3v
81	GeH₃⁺	germyl cation	¹A₁^'	D_3h
82	N	Nitrogen atom	⁴S	K_h
83	N	Nitrogen atom	²D	K_h
84	N^-	Nitrogen atom anion	³S	K_h
85	N⁺	Nitrogen atom cation	³P	K_h
86	P	Phosphorus atom	⁴S	K_h
87	P^-	Phosphorus atom anion	³P	K_h
88	P⁺	Phosphorus atom cation	³P	K_h
89	V	Vanadium atom	⁴F	K_h
90	V⁺	Vanadium atom cation	⁵D	K_h
91	As	Arsenic atomic	⁴S	K_h
92	As^-	Arsenic anion	³P	K_h
93	As⁺	Arsenic cation	³P	K_h
94	PH	phosphorus monohydride	³Σ^-	C_∞v
95	AsH	Arsenic monohydride	³Σ	C_∞v
96	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
97	NH₂	Amino radical	²B₁	C_2v
98	NH₂⁺	Amino cation	³B₁	C_2v
99	PH₂^-	Phosphino anion	¹A₁	C_2v
100	PH₂⁺	Phosphino cation	¹A₁	C_2v
101	AsH₂	Arsenic dihydride	²A₁	C_2v
102	NH₃^-	Ammonia anion	²A₁	C_3v
103	NH₃⁺	ammonia cation	²A₂^"	D_3h
104	PH₃⁺	Phosphine cation	²A₁	C_3v
105	AsH₃⁺	Arsine cation	²A₁	C_3v
106	NH₄	Ammonium radical
107	PH₄	Phosphoranyl radical
108	O	Oxygen atom	³S	K_h
109	O^-	Oxygen atom anion	²P	K_h
110	O⁺	Oxygen atom cation	⁴S	K_h
111	S	Sulfur atom	³P	K_h
112	S^-	Sulfur atom anion	²P	K_h
113	S⁺	Sulfur atom cation	⁴S	K_h
114	Se	Selenium atom	³P	K_h
115	Se^-	Selenium atom anion	²P	K_h
116	Se⁺	Selenium atom cation	⁴S	K_h
117	OH	Hydroxyl radical	²Π	C_∞v
118	OH⁺	hydoxyl cation	³Σ	C_∞v
119	HS	Mercapto radical	²Π	C_∞v
120	HS^-	mercapto anion	¹Σ	C_∞v
121	HS⁺	sulfur monohydride cation	³Σ	C_∞v
122	CrH	Chromium hydride	⁶Σ	C_∞v
123	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
124	HSe	Selenium monohydride	²Π	C_∞v
125	HSe⁺	selenium monohydride cation	³Σ	C_∞v
126	H₂O^-	water anion	²A₁	C_2v
127	H₂O^-	water anion	²A^'	C_s
128	H₂O⁺	water cation	²B₁	C_2v
129	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
130	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
131	H₂Se	Hydrogen selenide	¹A₁	C_2v
132	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
133	H₃S⁺	Sulfonium cation	¹A₁	C_3v
134	F	Fluorine atom	²P	K_h
135	F^-	Fluorine atom anion	¹S	K_h
136	F⁺	Fluorine atom cation	³S	K_h
137	F⁺	Fluorine atom cation	¹D	K_h
138	Cl	Chlorine atom	²P	K_h
139	Cl^-	Chlorine atom anion	¹S	K_h
140	Cl⁺	Chlorine atom cation	³P	K_h
141	Cl⁺	Chlorine atom cation	¹D	K_h
142	Br	Bromine atom	²P	K_h
143	Br^-	Bromine atom anion	¹S	K_h
144	Br⁺	Bromine atom cation	³P	K_h
145	HF^-	hydrogen fluoride anion	²Σ	C_∞v
146	HF⁺	hydrogen fluoride cation	²Π	C_∞v
147	HCl^-	hydrogen chloride anion	²Σ	C_∞v
148	HCl⁺	hydrogen chloride cation	²Π	C_∞v
149	HBr	hydrogen bromide	¹Σ	C_∞v
150	HBr^-	hydrogen bromide anion	²Σ	C_∞v
151	HBr⁺	hydrogen bromide cation	²Π	C_∞v
152	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
153	Ne	Neon atom
154	Ne^-	Neon atom anion	²S	K_h
155	Ne⁺	Neon atom cation	²P	K_h
156	Ar^-	Argon atom anion	²S	K_h
157	Ar⁺	Argon atom cation	²P	K_h
158	Kr⁺	Krypton cation	²P	K_h
159	NeH	neon hydrogen	²Σ	C_∞v
160	ArH⁺	Argon hydride cation	¹Σ	C_∞v
161	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
162	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
163	LiBe	Lithium Beryllium	²Σ	C_∞v
164	LiMg	Lithium magnesium	²Σ	C_∞v
165	NaBe	Sodium Beryllium	²Σ	C_∞v
166	NaMg	Sodium Magnesium	²Σ	C_∞v
167	Be₂	Beryllium diatomic	³Π_g	D_∞h
168	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
169	LiB	Lithium boride	³Π	C_∞v
170	BeB	Beryllium monoboride	²Π	C_∞v
171	B₂	Boron diatomic	³Σ_g	D_∞h
172	B₂	Boron diatomic	⁵Σ_u	D_∞h
173	B₂⁺	Boron diatomic cation	²Π	D_∞h
174	BAl	Boron Aluminum	³Σ	C_∞v
175	BGa	Boron Gallium	³Σ	C_∞v
176	AlGa	Aluminum Gallium	³Σ	C_∞v
177	Ga₂	Gallium diatomic	³P_iu
178	HBBH	Diborane(2)	³Σ_G	D_∞h
179	B₂H₆⁺	Diborane cation
180	LiC	Lithium Carbide	⁴Σ	C_∞v
181	BeC	Beryllium Carbide	³Σ^-	C_∞v
182	BeC	Beryllium Carbide
183	BC	boron monocarbide	⁴Σ^-	C_∞v
184	BC^-	boron monocarbide anion	³Π_u	C_∞v
185	AlC	Aluminum carbide	⁴Σ	C_∞v
186	BSi	Boron silicide	⁴Σ	C_∞v
187	BSi	Boron silicide	²Σ	C_∞v
188	C₂	Carbon diatomic	³Π_u	D_∞h
189	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
190	SiC	silicon monocarbide	³Σ	C_∞v
191	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
192	SiC⁺	silicon monocarbide cation	²Π	C_∞v
193	Si₂	Silicon diatomic	³Σ_g	D_∞h
194	GeC	Germanium monocarbide	¹Σ	C_∞v
195	SiGe	Silicon Germanium
196	Ge₂	Germanium diatomic	³Σ_g	D_∞h
197	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
198	C₂H	Ethynyl radical	²Σ	C_∞v
199	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
200	C₂H₂⁺	acetylene cation
201	CCH₂	vinylidene	¹A₁	C_2v
202	CCH₂	vinylidene	³B₂	C_2v
203	H₂CC^-	vinylidene anion
204	HCCH^-	acetylene anion
205	HCCH^-	acetylene anion
206	CH₃Li	methyl lithium	¹A₁	C_3v
207	C₂H₃	vinyl	²A^'	C_s
208	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
209	C₂H₄^-	Ethylene anion	²B_2g	D_2h
210	C₂H₄^-	Ethylene anion	²A_g	C_2h
211	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
212	C₂H₄⁺	Ethylene cation	²B₃	D₂
213	CH₃CH	methylmethylene	³A^"	C_s
214	C₂H₅	Ethyl radical	²A^'	C_s
215	C₂H₆⁺	ethane cation	²B_g	C_2h
216	C₂H₆⁺	ethane cation	²A_g	C_i
217	LiN	Lithium Nitride	³Σ	C_∞v
218	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
219	LiP	Lithium monophosphide
220	BeN	Beryllium mononitride	⁴Σ	C_∞v
221	BeN	Beryllium mononitride	²Π	C_∞v
222	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
223	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
224	MgN	Magnesium Nitride
225	MgN	Magnesium Nitride
226	BP	Boron monophosphide	³Π	C_∞v
227	AlP	Aluminum monophosphide	³Σ	C_∞v
228	AlP	Aluminum monophosphide	³Π	C_∞v
229	GaN	Gallium mononitride	³Π	C_∞v
230	GaP	Gallium monophosphide	³Σ	C_∞v
231	GaAs	Gallium arsenide	³Π
232	GaAs	Gallium arsenide	¹Σ
233	BN	boron nitride	³Π	C_∞v
234	CN	Cyano radical	²Σ	C_∞v
235	SiP	Silicon monophosphide	²Π	C_∞v
236	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
237	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
238	N₂	Nitrogen diatomic
239	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
240	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
241	HNB	hydrogen nitrogen boron	²Σ	C_∞v
242	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
243	HNC⁺	hydrogen isocyanide cation
244	HCP⁺	Phosphaethyne cation
245	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
246	CNH₂	Aminomethylidyne radical	²B₂	C_2v
247	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
248	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
249	HCNH	methyleneazane	²A^'	CS cis
250	HCNH	methyleneazane	²A^'	CS trans
251	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
252	CH₂NH⁺	Methanimine cation
253	CHNH₂⁺	Aminocarbene cation
254	N₂H₄⁺	hydrazine cation	²A_G	C_2h
255	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
256	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
257	LiO	lithium oxide	²Σ	C_∞v
258	LiO^-	lithium oxide anion	¹Σ	C_∞v
259	LiO^-	lithium oxide anion	³Σ	C_∞v
260	LiO⁺	lithium oxide cation	³Σ	C_∞v
261	LiS	Lithium monosulfide	²Π	C_∞v
262	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
263	NaO	sodium monoxide	²Σ	C_∞v
264	NaS	Sodium sulfide	²Π	C_∞v
265	LiSe	Lithium monoselenide
266	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
267	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
268	BO	boron monoxide	²Σ	C_∞v
269	BO^-	boron monoxide anion	¹Σ	C_∞v
270	ScO	Scandium monoxide	²Σ	C_∞v
271	GaO	Gallium monoxide	²Σ	C_∞v
272	GaS	Gallium monosulfide
273	CO	Carbon monoxide	³Π	C_∞v
274	CO^-	carbon monoxide anion	²Π	C_∞v
275	CO⁺	carbon monoxide cation	²Σ	C_∞v
276	TiO	Titanium monoxide	³Δ	C_∞v
277	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
278	SiSe⁺	Silicon Monoselenide cation
279	NO	Nitric oxide	²Π	C_∞v
280	NO^-	nitric oxide anion	³Σ	C_∞v
281	NS	Mononitrogen monosulfide	²Π	C_∞v
282	NS^-	nitrogen sulfide anion	³Σ	C_∞v
283	PO	Phosphorus monoxide	²Π	C_∞v
284	PS	phosphorus sulfide	²Σ	C_∞v
285	VO	Vanadium monoxide	⁴Σ^-
286	AsO	Arsenic monoxide	²Π	C_∞v
287	NSe	Nitrogen monoselenide	²Π	C_∞v
288	AsS	Arsenic monosulfide	²Π	C_∞v
289	PSe	Phosphorus monoselenide	²Π	C_∞v
290	AsSe	Arsenic monoselenide	²Π	C_∞v
291	O₂	Oxygen diatomic	³Σ_g	D_∞h
292	O₂^-	oxygen diatomic anion	²Π	D_∞h
293	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
294	SO	Sulfur monoxide	³Σ	C_∞v
295	SO	Sulfur monoxide	¹Σ	C_∞v
296	SO⁺	sulfur monoxide cation	²Π	C_∞v
297	S₂	Sulfur diatomic	³Σ_g	D_∞h
298	SeO	Selenium monoxide	³Σ	C_∞v
299	Se₂	Selenium diatomic	³Σ_g	D_∞h
300	BeOH	beryllium monohydroxide	²A^'	C_s
301	COH	Hydroxymethylidyne
302	HCO	Formyl radical	²A^'	C_s
303	HCO^-	formyl anion	¹A^'	C_s
304	HCO⁺	Formyl cation	¹Σ	C_∞v
305	HCS⁺	Thioformyl cation	¹Σ	C_∞v
306	HNO	Nitrosyl hydride	¹A^'	C_s
307	HNO^-	Nitrosyl hydride anion	²A^"	C_s
308	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
309	NOH	Hydroxyimidogen	³A^"	C_s
310	NOH⁺	O-protonated nitric oxide	²A^'	C_s
311	HNS^-	Sulfur imide anion	²A	C_s
312	HO₂	Hydroperoxy radical	²A^"	C_s
313	HO₂^-	Hydroperoxy anion	¹A^'	C_s
314	HO₂⁺	Hydroperoxy cation	³A^"	C_s
315	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
316	SOH	Sulfur Hydroxide
317	SOH⁺	Sulfur Monoxide, protonated
318	HS₂	Thiosulfeno radical	²A^"	C_s
319	H₂CO^-	formaldehyde anion	²A^'	C_s
320	H₂CO^-	formaldehyde anion
321	H₂CO⁺	formaldehyde cation	²B₂	C_2v
322	H₂CS^-	thioformaldehyde anion
323	H₂CS^-	thioformaldehyde anion
324	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
325	H₂NO	nitroxide	²B₁	C_2v
326	H₂NO	nitroxide	²A^'	C_s
327	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
328	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
329	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
330	CH₂OH	Hydroxymethyl radical	²A	C₁
331	CH₃O⁺	Methoxy cation	³A₁	C_3v
332	NH₂OH⁺	Hydroxylamine cation
333	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
334	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
335	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
336	CH₃OH⁺	Methyl alcohol cation	²A	C₁
337	CH₃SH⁺	Methanethiol cation	²A^"	C_s
338	NH₂OH₂⁺	protonated hydroxylamine
339	NH₃OH⁺	N-protonated hydroxylamine
340	NaF⁺	sodium fluoride cation	²Σ	C_∞v
341	LiF^-	lithium fluoride anion	²Σ	C_∞v
342	LiF⁺	lithium fluoride cation	²Π	C_∞v
343	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
344	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
345	TiCl	Titanium Monochloride	⁴Σ	C_∞v
346	ZnF	Zinc monofluoride	²Σ	C_∞v
347	GaF	Gallium monofluoride	¹Σ	C_∞v
348	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
349	GaCl	Gallium monochloride	¹Σ_G	C_∞v
350	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
351	CF	Fluoromethylidyne	²Π	C_∞v
352	SiF	silicon monofluoride	²Π	C_∞v
353	SiF^-	silicon monofluoride anion	³Σ	C_∞v
354	SiCl	Clorosilylidyne	²Π	C_∞v
355	CBr	Carbon monobromide	²Π	C_∞v
356	GeF	Germanium monofluoride	²Π	C_∞v
357	GeCl	Germanium monochloride	²Π	C_∞v
358	SiBr	Silicon monobromide	²Π	C_∞v
359	SiBr⁺	Silicon monobromide cation
360	NCl	nitrogen monochloride	³Σ	C_∞v
361	NCl^-	nitrogen monochloride anion	²Π	C_∞v
362	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
363	AsF	Arsenic monofluoride	³Σ	C_∞v
364	NBr	nitrogen monobromide	³Σ^-	C_∞v
365	AsCl	Arsenic monochloride	³Σ	C_∞v
366	PBr	Phosphorus monobromide
367	FO	Oxygen monofluoride	²Π	C_∞v
368	ClO	Monochlorine monoxide	²Π	C_∞v
369	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
370	SF	Monosulfur monofluoride	²Π	C_∞v
371	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
372	SCl	sulfur monochloride	²Π	C_∞v
373	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
374	BrO	Bromine monoxide	²Π	C_∞v
375	BrO⁺	Bromine monoxide cation
376	SeF	Selenium monofluoride	²Π	C_∞v
377	SBr	Sulfur monobromide radical
378	SBr⁺	Sulfur monobromide cation
379	SeCl	Selenium monochloride	²Π	C_∞v
380	SeBr	Selenium monobromide
381	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
382	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
383	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
384	ClF⁺	clorine monofluoride cation	²Π	C_∞v
385	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
386	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
387	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
388	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
389	HCF	Fluoromethylene	³A^"	C_s
390	HCCl	Chloromethylene	³A^"	C_s
391	CHBr	bromomethylene	³A^"	C_s
392	HOCl⁺	hypochlorous acid cation
393	HOBr⁺	Hypobromous acid cation	²A^"	C_s
394	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
395	CH₂Br	bromomethyl radical	²A^'	C_s
396	CH₂Br	bromomethyl radical
397	CH₂F	fluoromethyl radical	²A	C_s
398	CH₂Cl	chloromethyl radical	²A^'	C_s
399	CH₂Cl	chloromethyl radical	²B₁	C_2v
400	CH₃F⁺	methyl fluoride cation
401	CH₃Cl⁺	Methyl chloride cation
402	CH₃Br	methyl bromide	¹A₁	C_3v
403	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
404	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
405	Li₃	Lithium trimer	²B₂	C_2v
406	C₃	carbon trimer	¹A₁	C_2v
407	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
408	C₃H₃	cyclopropenyl radical	²A^'	C_s
409	C₃H₃^-	Propargyl anion	¹A^'	C_s
410	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
411	C₃H₅	Allyl radical	²A₂	C_2v
412	C₃H₅	Allyl radical	²A^"	C_s
413	CH₃CHCH	1-propenyl radical	²A^'	C_s
414	C₃H₇	n-Propyl radical	²A^"	C₁
415	CH₃CHCH₃	Isopropyl radical	²A	C₂
416	LiCN	lithium cyanide	¹Σ	C*V LiCN
417	ZnCN	Zinc monocyanide	²Σ	C_∞v
418	ZnNC	Zinc isocyanide	²Σ	C_∞v
419	CNN	Diazocarbene
420	NCN	Cyanoimidogen	³Σ_g	D_∞h
421	N₃	azide radical	²Π_g	D_∞h
422	N₃⁺	azide cation	³Σ_g	D_∞h
423	N₃⁺	azide cation	³Σ	C_∞v
424	HCCN	cyanomethylene	³A^"	C_s
425	HCCN	cyanomethylene	³Σ	C_∞v
426	HCCN	cyanomethylene
427	HN₃	hydrogen azide	¹A^'	C_s
428	HN₃⁺	Hydrazoic acid cation
429	CH₃CN^-	acetonitrile anion	²E	C_3v
430	CH₃CN^-	acetonitrile anion	²A^'	C_s
431	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
432	HCNCH₂⁺	2H-Azirine cation
433	CH₂CHNH	vinylazine	²A^"	CS cis
434	CH₂CHNH	vinylazine	²A^"	CS trans
435	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
436	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
437	LiO₂	Lithium dioxide
438	NaO₂	Sodium superoxide
439	CCO	Dicarbon monoxide	³Σ	C_∞v
440	NCO	isocyanato radical	²Π	C_∞v
441	SCN	thiocyanato radical	²Π	C_∞v
442	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
443	N₂O^-	Nitrous oxide anion	²A^'	C_s
444	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
445	CO₂^-	Carbon dioxide anion	²A₁	C_2v
446	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
447	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
448	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
449	CS₂^-	Carbon disulfide anion	²A₁	C_2v
450	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
451	NO₂	Nitrogen dioxide	²A₁	C_2v
452	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
453	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
454	NSO	sulfinyl amidogen
455	PO₂	Phosphorus dioxide	²A₁	C_2v
456	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
457	SNO	Nitrogen oxide sulfide
458	AsO₂	Aresenic dioxide	²A₁	C_2v
459	O₃^-	Ozone anion	²B₁	C_2v
460	O₃⁺	Ozone cation	²A₁	C_2v
461	SO₂	Sulfur dioxide	¹A₁	C_2v
462	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
463	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
464	S₃^-	Sulfur trimer anion	²B₁	C_2v
465	S₃⁺	Sulfur trimer cation	²B₂	C_2v
466	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
467	HCCO	ketenyl radical	²Π	C_∞v
468	HCCO	ketenyl radical	²A^"	C_s
469	HCOO	formate neutral radical	²A^'	C_s
470	HOCO	Hydrocarboxyl radical	¹A^'	cis
471	HOCO	Hydrocarboxyl radical	¹A^'	trans
472	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
473	HNO₂⁺	nitrous acid cation	²A^'	C_s
474	CH₂CO⁺	Ketene cation	²B₁	C_2v
475	CH₂CHO	Vinyloxy radical	²A^"	C_s
476	CH₂OOH	CH2OOH radical	²A	C₁
477	CH₃OO	methylperoxy radical	²A^"	C_s
478	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
479	C₂H₄O⁺	ethylene oxide cation
480	CH₃CHO⁺	acetaldehyde cation
481	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
482	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
483	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
484	CH₃CH₂O	Ethoxy radical	²A^'	C_s
485	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
486	CH₃OCH₂	methoxymethyl radical	²A	C₁
487	CH₃CH₂SH	ethanethiol	¹A^'	C_s
488	CH₃SCH₃⁺	dimethyl sulfide cation
489	CuF₂	Copper difluoride	²Π_g	D_∞h
490	FCO	Carbonyl fluoride	²A^'	C_s
491	ClCO	carbonyl monochloride	²A^'	C_s
492	BF₂	Boron difluoride radical	²A₁	C_2v
493	BrNO	Nitrosyl bromide	¹A^'	C_s
494	CF₂	Difluoromethylene	³B₁	C_2v
495	CF₂^-	Difluoromethylene anion	²B₁	C_2v
496	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
497	SiF₂	Silicon difluoride	¹A₁	C_2v
498	SiF₂	Silicon difluoride	³B₁	C_2v
499	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
500	CCl₂^-	dichloromethylene anion	²B₁	C_2v

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H^-

Hydrogen atom anion

²S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

H₂⁺

Hydrogen cation

²Σ_g⁺

D_∞h

Helium atom

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Lithium atom

²S

K_h

Li⁺

Lithium atom cation

¹S

K_h

Sodium atom

²S

K_h

Na^-

Sodium atom anion

¹S

K_h

LiH⁺

lithium hydride cation

²Σ

C_∞v

NaH⁺

sodium hydride cation

²Σ

C_∞v

Be⁺

Beryllium atom cation

²S

K_h

Mg^-

Magnesium atom anion

²P

K_h

Mg⁺

Magnesium atom cation

²S

K_h

BeH

beryllium monohydride

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

TiH

Titanium monohydride

⁴Φ

C_∞v

BeH₂⁺

Beryllium dihydride cation

²Σ

C_∞v

BeH₂⁺

Beryllium dihydride cation

²Σ_u

D_∞h

BeH₂⁺

Beryllium dihydride cation

Boron atom

²P

K_h

Boron atom

⁴P

K_h

B⁺

Boron atom cation

¹S

K_h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Scandium atom

²D

K_h

Sc⁺

Scandium cation

³D

K_h

Gallium atom

²P

Ga^-

Gallium atom anion

³P

O_h

Ga⁺

Gallium atom cation

¹S

Boron monohydride

³Π

C_∞v

BH^-

boron monohydride anion

⁴Σ

C_∞v

ScH⁺

Scandium monohydride cation

²Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₂^-

boron dihydride anion

³B₁

C_2v

AlH₂^-

aluminum dihydride anion

¹A₁

C_2v

AlH₂⁺

aluminum dihydride cation

¹Σ_g

D_∞h

BH₃⁺

boron trihydride cation

²E^'

D_3h

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃^-

aluminum trihydride anion

²A₂^"

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

AlH₃⁺

aluminum trihydride cation

²E

D_3h

AlH₃⁺

aluminum trihydride cation

²A₁

C_2v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

C^-

Carbon atom anion

²D

K_h

C⁺

Carbon atom cation

²P

K_h

Silicon atom

³P

K_h

Si^-

Silicon atom anion

⁴S

K_h

Si⁺

Silicon atom cation

²P

K_h

Germanium atom

³P

K_h

Ge^-

Germanium anion

⁴S

K_h

Ge⁺

Germanium cation

²P

K_h

Methylidyne

²Π_1/2

C_∞v

SiH

Silylidyne

²Π

C_∞v

SiH^-

silicon monohydride anion

³Σ

C_∞v

GeH

germylidene

²Π

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

SiH₂

silicon dihydride

³B₁

C_2v

SiH₂^-

silicon dihydride anion

²B₁

C_2v

SiH₂⁺

silicon dihydride cation

²A₁

C_2v

GeH₂

germylene

¹A₁

C_2v

GeH₂^-

germylene anion

²B₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

CH₃^-

methyl anion

¹A₁

C_3v

CH₃⁺

methyl cation

¹A₁^'

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃^-

Silyl anion

¹A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

GeH₃

Germyl radical

²A₁

C_3v

GeH₃⁺

germyl cation

¹A₁^'

D_3h

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

K_h

N^-

Nitrogen atom anion

³S

K_h

N⁺

Nitrogen atom cation

³P

K_h

Phosphorus atom

⁴S

K_h

P^-

Phosphorus atom anion

³P

K_h

P⁺

Phosphorus atom cation

³P

K_h

Vanadium atom

⁴F

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

AsH

Arsenic monohydride

³Σ

C_∞v

AsH⁺

Arsenic monohydride cation

²Π

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

PH₂^-

Phosphino anion

¹A₁

C_2v

100

PH₂⁺

Phosphino cation

¹A₁

C_2v

101

AsH₂

Arsenic dihydride

²A₁

C_2v

102

NH₃^-

Ammonia anion

²A₁

C_3v

103

NH₃⁺

ammonia cation

²A₂^"

D_3h

104

PH₃⁺

Phosphine cation

²A₁

C_3v

105

AsH₃⁺

Arsine cation

²A₁

C_3v

106

NH₄

Ammonium radical

107

PH₄

Phosphoranyl radical

108

Oxygen atom

³S

K_h

109

O^-

Oxygen atom anion

²P

K_h

110

O⁺

Oxygen atom cation

⁴S

K_h

111

Sulfur atom

³P

K_h

112

S^-

Sulfur atom anion

²P

K_h

113

S⁺

Sulfur atom cation

⁴S

K_h

114

Selenium atom

³P

K_h

115

Se^-

Selenium atom anion

²P

K_h

116

Se⁺

Selenium atom cation

⁴S

K_h

117

Hydroxyl radical

²Π

C_∞v

118

OH⁺

hydoxyl cation

³Σ

C_∞v

119

Mercapto radical

²Π

C_∞v

120

HS^-

mercapto anion

¹Σ

C_∞v

121

HS⁺

sulfur monohydride cation

³Σ

C_∞v

122

CrH

Chromium hydride

⁶Σ

C_∞v

123

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

124

HSe

Selenium monohydride

²Π

C_∞v

125

HSe⁺

selenium monohydride cation

³Σ

C_∞v

126

H₂O^-

water anion

²A₁

C_2v

127

H₂O^-

water anion

²A^'

C_s

128

H₂O⁺

water cation

²B₁

C_2v

129

H₂S^-

Hydrogen sulfide anion

²A^'

C_s

130

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

131

H₂Se

Hydrogen selenide

¹A₁

C_2v

132

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

133

H₃S⁺

Sulfonium cation

¹A₁

C_3v

134

Fluorine atom

²P

K_h

135

F^-

Fluorine atom anion

¹S

K_h

136

F⁺

Fluorine atom cation

³S

K_h

137

F⁺

Fluorine atom cation

¹D

K_h

138

Chlorine atom

²P

K_h

139

Cl^-

Chlorine atom anion

¹S

K_h

140

Cl⁺

Chlorine atom cation

³P

K_h

141

Cl⁺

Chlorine atom cation

¹D

K_h

142

Bromine atom

²P

K_h

143

Br^-

Bromine atom anion

¹S

K_h

144

Br⁺

Bromine atom cation

³P

K_h

145

HF^-

hydrogen fluoride anion

²Σ

C_∞v

146

HF⁺

hydrogen fluoride cation

²Π

C_∞v

147

HCl^-

hydrogen chloride anion

²Σ

C_∞v

148

HCl⁺

hydrogen chloride cation

²Π

C_∞v

149

HBr

hydrogen bromide

¹Σ

C_∞v

150

HBr^-

hydrogen bromide anion

²Σ

C_∞v

151

HBr⁺

hydrogen bromide cation

²Π

C_∞v

152

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

153

Neon atom

154

Ne^-

Neon atom anion

²S

K_h

155

Ne⁺

Neon atom cation

²P

K_h

156

Ar^-

Argon atom anion

²S

K_h

157

Ar⁺

Argon atom cation

²P

K_h

158

Kr⁺

Krypton cation

²P

K_h

159

NeH

neon hydrogen

²Σ

C_∞v

160

ArH⁺

Argon hydride cation

¹Σ

C_∞v

161

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

162

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

163

LiBe

Lithium Beryllium

²Σ

C_∞v

164

LiMg

Lithium magnesium

²Σ

C_∞v

165

NaBe

Sodium Beryllium

²Σ

C_∞v

166

NaMg

Sodium Magnesium

²Σ

C_∞v

167

Be₂

Beryllium diatomic

³Π_g

D_∞h

168

Be₂^-

Beryllium diatomic anion

²Π_u

D_∞h

169

LiB

Lithium boride

³Π

C_∞v

170

BeB

Beryllium monoboride

²Π

C_∞v

171

B₂

Boron diatomic

³Σ_g

D_∞h

172

B₂

Boron diatomic

⁵Σ_u

D_∞h

173

B₂⁺

Boron diatomic cation

²Π

D_∞h

174

BAl

Boron Aluminum

³Σ

C_∞v

175

BGa

Boron Gallium

³Σ

C_∞v

176

AlGa

Aluminum Gallium

³Σ

C_∞v

177

Ga₂

Gallium diatomic

³P_iu

178

HBBH

Diborane(2)

³Σ_G

D_∞h

179

B₂H₆⁺

Diborane cation

180

LiC

Lithium Carbide

⁴Σ

C_∞v

181

BeC

Beryllium Carbide

³Σ^-

C_∞v

182

BeC

Beryllium Carbide

183

boron monocarbide

⁴Σ^-

C_∞v

184

BC^-

boron monocarbide anion

³Π_u

C_∞v

185

AlC

Aluminum carbide

⁴Σ

C_∞v

186

BSi

Boron silicide

⁴Σ

C_∞v

187

BSi

Boron silicide

²Σ

C_∞v

188

C₂

Carbon diatomic

³Π_u

D_∞h

189

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

190

SiC

silicon monocarbide

³Σ

C_∞v

191

SiC^-

silicon monocarbide anion

²Σ_g

C_∞v

192

SiC⁺

silicon monocarbide cation

²Π

C_∞v

193

Si₂

Silicon diatomic

³Σ_g

D_∞h

194

GeC

Germanium monocarbide

¹Σ

C_∞v

195

SiGe

Silicon Germanium

196

Ge₂

Germanium diatomic

³Σ_g

D_∞h

197

Ge₂

Germanium diatomic

¹Σ_G

D_∞h

198

C₂H

Ethynyl radical

²Σ

C_∞v

199

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

200

C₂H₂⁺

acetylene cation

201

CCH₂

vinylidene

¹A₁

C_2v

202

CCH₂

vinylidene

³B₂

C_2v

203

H₂CC^-

vinylidene anion

204

HCCH^-

acetylene anion

205

HCCH^-

acetylene anion

206

CH₃Li

methyl lithium

¹A₁

C_3v

207

C₂H₃

vinyl

²A^'

C_s

208

C₂H₃⁺

vinyl cation

¹A₁

C2V bridging H

209

C₂H₄^-

Ethylene anion

²B_2g

D_2h

210

C₂H₄^-

Ethylene anion

²A_g

C_2h

211

C₂H₄⁺

Ethylene cation

²B_3u

D_2h

212

C₂H₄⁺

Ethylene cation

²B₃

D₂

213

CH₃CH

methylmethylene

³A^"

C_s

214

C₂H₅

Ethyl radical

²A^'

C_s

215

C₂H₆⁺

ethane cation

²B_g

C_2h

216

C₂H₆⁺

ethane cation

²A_g

C_i

217

LiN

Lithium Nitride

³Σ

C_∞v

218

LiN⁺

Lithium Nitride cation

⁴Σ

C_∞v

219

LiP

Lithium monophosphide

220

BeN

Beryllium mononitride

⁴Σ

C_∞v

221

BeN

Beryllium mononitride

²Π

C_∞v

222

BeN^-

Beryllium mononitride anion

¹Σ

C_∞v

223

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

224

MgN

Magnesium Nitride

225

MgN

Magnesium Nitride

226

Boron monophosphide

³Π

C_∞v

227

AlP

Aluminum monophosphide

³Σ

C_∞v

228

AlP

Aluminum monophosphide

³Π

C_∞v

229

GaN

Gallium mononitride

³Π

C_∞v

230

GaP

Gallium monophosphide

³Σ

C_∞v

231

GaAs

Gallium arsenide

³Π

232

GaAs

Gallium arsenide

¹Σ

233

boron nitride

³Π

C_∞v

234

Cyano radical

²Σ

C_∞v

235

SiP

Silicon monophosphide

²Π

C_∞v

236

SiP^-

Silicon monophosphide anion

¹Σ

C_∞v

237

SiP⁺

Silicon monophosphide cation

³Σ

C_∞v

238

N₂

Nitrogen diatomic

239

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

240

N₂⁺

diatomic nitrogen cation

²Σ_g

D_∞h

241

HNB

hydrogen nitrogen boron

²Σ

C_∞v

242

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

243

HNC⁺

hydrogen isocyanide cation

244

HCP⁺

Phosphaethyne cation

245

HPO⁺

Hydrogen phosphorus oxide cation

²A^'

C_s

246

CNH₂

Aminomethylidyne radical

²B₂

C_2v

247

H₂CN

Dihydrogen cyanide radical

²B₂

C_2v

248

H₂CN⁺

hydrocyanonium cation

¹A₁

C_2v

249

HCNH

methyleneazane

²A^'

CS cis

250

HCNH

methyleneazane

²A^'

CS trans

251

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

252

CH₂NH⁺

Methanimine cation

253

CHNH₂⁺

Aminocarbene cation

254

N₂H₄⁺

hydrazine cation

²A_G

C_2h

255

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

256

CH₃NH₃

methyl ammonium radical

²A₁

C_3v

257

LiO

lithium oxide

²Σ

C_∞v

258

LiO^-

lithium oxide anion

¹Σ

C_∞v

259

LiO^-

lithium oxide anion

³Σ

C_∞v

260

LiO⁺

lithium oxide cation

³Σ

C_∞v

261

LiS

Lithium monosulfide

²Π

C_∞v

262

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

263

NaO

sodium monoxide

²Σ

C_∞v

264

NaS

Sodium sulfide

²Π

C_∞v

265

LiSe

Lithium monoselenide

266

BeO^-

Beryllium monoxide anion

²Σ

C_∞v

267

BeO⁺

Beryllium monoxide cation

²Π

C_∞v

268

boron monoxide

²Σ

C_∞v

269

BO^-

boron monoxide anion

¹Σ

C_∞v

270

ScO

Scandium monoxide

²Σ

C_∞v

271

GaO

Gallium monoxide

²Σ

C_∞v

272

GaS

Gallium monosulfide

273

Carbon monoxide

³Π

C_∞v

274

CO^-

carbon monoxide anion

²Π

C_∞v

275

CO⁺

carbon monoxide cation

²Σ

C_∞v

276

TiO

Titanium monoxide

³Δ

C_∞v

277

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

278

SiSe⁺

Silicon Monoselenide cation

279

Nitric oxide

²Π

C_∞v

280

NO^-

nitric oxide anion

³Σ

C_∞v

281

Mononitrogen monosulfide

²Π

C_∞v

282

NS^-

nitrogen sulfide anion

³Σ

C_∞v

283

Phosphorus monoxide

²Π

C_∞v

284

phosphorus sulfide

²Σ

C_∞v

285

Vanadium monoxide

⁴Σ^-

286

AsO

Arsenic monoxide

²Π

C_∞v

287

NSe

Nitrogen monoselenide

²Π

C_∞v

288

AsS

Arsenic monosulfide

²Π

C_∞v

289

PSe

Phosphorus monoselenide

²Π

C_∞v

290

AsSe

Arsenic monoselenide

²Π

C_∞v

291

O₂

Oxygen diatomic

³Σ_g

D_∞h

292

O₂^-

oxygen diatomic anion

²Π

D_∞h

293

O₂⁺

diatomic oxygen cation

²Π_g

D_∞h

294

Sulfur monoxide

³Σ

C_∞v

295

Sulfur monoxide

¹Σ

C_∞v

296

SO⁺

sulfur monoxide cation

²Π

C_∞v

297

S₂

Sulfur diatomic

³Σ_g

D_∞h

298

SeO

Selenium monoxide

³Σ

C_∞v

299

Se₂

Selenium diatomic

³Σ_g

D_∞h

300

BeOH

beryllium monohydroxide

²A^'

C_s

301

COH

Hydroxymethylidyne

302

HCO

Formyl radical

²A^'

C_s

303

HCO^-

formyl anion

¹A^'

C_s

304

HCO⁺

Formyl cation

¹Σ

C_∞v

305

HCS⁺

Thioformyl cation

¹Σ

C_∞v

306

HNO

Nitrosyl hydride

¹A^'

C_s

307

HNO^-

Nitrosyl hydride anion

²A^"

C_s

308

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

309

NOH

Hydroxyimidogen

³A^"

C_s

310

NOH⁺

O-protonated nitric oxide

²A^'

C_s

311

HNS^-

Sulfur imide anion

²A

C_s

312

HO₂

Hydroperoxy radical

²A^"

C_s

313

HO₂^-

Hydroperoxy anion

¹A^'

C_s

314

HO₂⁺

Hydroperoxy cation

³A^"

C_s

315

HO₂⁺

Hydroperoxy cation

¹A^'

C_s

316

SOH

Sulfur Hydroxide

317

SOH⁺

Sulfur Monoxide, protonated

318

HS₂

Thiosulfeno radical

²A^"

C_s

319

H₂CO^-

formaldehyde anion

²A^'

C_s

320

H₂CO^-

formaldehyde anion

321

H₂CO⁺

formaldehyde cation

²B₂

C_2v

322

H₂CS^-

thioformaldehyde anion

323

H₂CS^-

thioformaldehyde anion

324

H₂CS⁺

thioformaldehyde cation

²B₂

C_2v

325

H₂NO

nitroxide

²B₁

C_2v

326

H₂NO

nitroxide

²A^'

C_s

327

H₂O₂⁺

Hydrogen peroxide cation

²B_g

C_2h

328

H₂O₂⁺

Hydrogen peroxide cation

²A₁

C_2v

329

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

330

CH₂OH

Hydroxymethyl radical

²A

C₁

331

CH₃O⁺

Methoxy cation

³A₁

C_3v

332

NH₂OH⁺

Hydroxylamine cation

333

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

334

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

335

CH₃OH⁺

Methyl alcohol cation

²A^"

C_s

336

CH₃OH⁺

Methyl alcohol cation

²A

C₁

337

CH₃SH⁺

Methanethiol cation

²A^"

C_s

338

NH₂OH₂⁺

protonated hydroxylamine

339

NH₃OH⁺

N-protonated hydroxylamine

340

NaF⁺

sodium fluoride cation

²Σ

C_∞v

341

LiF^-

lithium fluoride anion

²Σ

C_∞v

342

LiF⁺

lithium fluoride cation

²Π

C_∞v

343

BeF^-

Beryllium monofluoride anion

¹Σ

C_∞v

344

BeF⁺

Beryllium monofluoride cation

¹Σ

C_∞v

345

TiCl

Titanium Monochloride

⁴Σ

C_∞v

346

ZnF

Zinc monofluoride

²Σ

C_∞v

347

GaF

Gallium monofluoride

¹Σ

C_∞v

348

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

349

GaCl

Gallium monochloride

¹Σ_G

C_∞v

350

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

351

Fluoromethylidyne

²Π

C_∞v

352

SiF

silicon monofluoride

²Π

C_∞v

353

SiF^-

silicon monofluoride anion

³Σ

C_∞v

354

SiCl

Clorosilylidyne

²Π

C_∞v

355

CBr

Carbon monobromide

²Π

C_∞v

356

GeF

Germanium monofluoride

²Π

C_∞v

357

GeCl

Germanium monochloride

²Π

C_∞v

358

SiBr

Silicon monobromide

²Π

C_∞v

359

SiBr⁺

Silicon monobromide cation

360

NCl

nitrogen monochloride

³Σ

C_∞v

361

NCl^-

nitrogen monochloride anion

²Π

C_∞v

362

NCl⁺

nitrogen monochloride cation

²Π

C_∞v

363

AsF

Arsenic monofluoride

³Σ

C_∞v

364

NBr

nitrogen monobromide

³Σ^-

C_∞v

365

AsCl

Arsenic monochloride

³Σ

C_∞v

366

PBr

Phosphorus monobromide

367

Oxygen monofluoride

²Π

C_∞v

368

ClO

Monochlorine monoxide

²Π

C_∞v

369

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

370

Monosulfur monofluoride

²Π

C_∞v

371

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

372

SCl

sulfur monochloride

²Π

C_∞v

373

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

374

BrO

Bromine monoxide

²Π

C_∞v

375

BrO⁺

Bromine monoxide cation

376

SeF

Selenium monofluoride

²Π

C_∞v

377

SBr

Sulfur monobromide radical

378

SBr⁺

Sulfur monobromide cation

379

SeCl

Selenium monochloride

²Π

C_∞v

380

SeBr

Selenium monobromide

381

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

382

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

383

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

384

ClF⁺

clorine monofluoride cation

²Π

C_∞v

385

Cl₂^-

chlorine diatomic anion

²Σ_u

D_∞h

386

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

387

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

388

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

389

HCF

Fluoromethylene

³A^"

C_s

390

HCCl

Chloromethylene

³A^"

C_s

391

CHBr

bromomethylene

³A^"

C_s

392

HOCl⁺

hypochlorous acid cation

393

HOBr⁺

Hypobromous acid cation

²A^"

C_s

394

FHF^-

Hydrogen difluoride anion

¹Σ_g

D_∞h

395

CH₂Br

bromomethyl radical

²A^'

C_s

396

CH₂Br

bromomethyl radical

397

CH₂F

fluoromethyl radical

²A

C_s

398

CH₂Cl

chloromethyl radical

²A^'

C_s

399

CH₂Cl

chloromethyl radical

²B₁

C_2v

400

CH₃F⁺

methyl fluoride cation

401

CH₃Cl⁺

Methyl chloride cation

402

CH₃Br

methyl bromide

¹A₁

C_3v

403

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

404

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

405

Li₃

Lithium trimer

²B₂

C_2v

406

C₃

carbon trimer

¹A₁

C_2v

407

C₃⁺

carbon trimer cation

²Σ_u

D_∞h

408

C₃H₃

cyclopropenyl radical

²A^'

C_s

409

C₃H₃^-

Propargyl anion

¹A^'

C_s

410

C₃H₃⁺

Propargyl cation

¹A₁

C_2v

411

C₃H₅

Allyl radical

²A₂

C_2v

412

C₃H₅

Allyl radical

²A^"

C_s

413

CH₃CHCH

1-propenyl radical

²A^'

C_s

414

C₃H₇

n-Propyl radical

²A^"

C₁

415

CH₃CHCH₃

Isopropyl radical

²A

C₂

416

LiCN

lithium cyanide

¹Σ

C*V LiCN

417

ZnCN

Zinc monocyanide

²Σ

C_∞v

418

ZnNC

Zinc isocyanide

²Σ

C_∞v

419

CNN

Diazocarbene

420

NCN

Cyanoimidogen

³Σ_g

D_∞h

421

N₃

azide radical

²Π_g

D_∞h

422

N₃⁺

azide cation

³Σ_g

D_∞h

423

N₃⁺

azide cation

³Σ

C_∞v

424

HCCN

cyanomethylene

³A^"

C_s

425

HCCN

cyanomethylene

³Σ

C_∞v

426

HCCN

cyanomethylene

427

HN₃

hydrogen azide

¹A^'

C_s

428

HN₃⁺

Hydrazoic acid cation

429

CH₃CN^-

acetonitrile anion

²E

C_3v

430

CH₃CN^-

acetonitrile anion

²A^'

C_s

431

CH₃CN⁺

Acetonitrile cation

²A^"

C_s

432

HCNCH₂⁺

2H-Azirine cation

433

CH₂CHNH

vinylazine

²A^"

CS cis

434

CH₂CHNH

vinylazine

²A^"

CS trans

435

CH₃CHN

methylmethaniminyl radical

²A^'

C_s

436

Li₂O⁺

dilithium oxide cation

²Π

D_∞h

437

LiO₂

Lithium dioxide

438

NaO₂

Sodium superoxide

439

CCO

Dicarbon monoxide

³Σ

C_∞v

440

NCO

isocyanato radical

²Π

C_∞v

441

SCN

thiocyanato radical

²Π

C_∞v

442

BO₂⁺

Boron dioxide cation

³Σ_g

D_∞h

443

N₂O^-

Nitrous oxide anion

²A^'

C_s

444

N₂O⁺

Nitrous oxide cation

²Π

C_∞v

445

CO₂^-

Carbon dioxide anion

²A₁

C_2v

446

CO₂⁺

Carbon dioxide cation

²Π_g

D_∞h

447

CO₂⁺

Carbon dioxide cation

²Π

C_∞v

448

OCS⁺

Carbonyl sulfide cation

²Π

C_∞v

449

CS₂^-

Carbon disulfide anion

²A₁

C_2v

450

CS₂⁺

Carbon disulfide cation

²Π

D_∞h

451

NO₂

Nitrogen dioxide

²A₁

C_2v

452

NO₂^-

Nitrogen dioxide anion

¹A₁

C_2v

453

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

454

NSO

sulfinyl amidogen

455

PO₂

Phosphorus dioxide

²A₁

C_2v

456

PO₂⁺

Phosphorus dioxide cation

¹Σ_G

D_∞h

457

SNO

Nitrogen oxide sulfide

458

AsO₂

Aresenic dioxide

²A₁

C_2v

459

O₃^-

Ozone anion

²B₁

C_2v

460

O₃⁺

Ozone cation

²A₁

C_2v

461

SO₂

Sulfur dioxide

¹A₁

C_2v

462

SO₂^-

Sulfur dioxide anion

²B₁

C_2v

463

SO₂⁺

Sulfur dioxide cation

²A₁

C_2v

464

S₃^-

Sulfur trimer anion

²B₁

C_2v

465

S₃⁺

Sulfur trimer cation

²B₂

C_2v

466

SeO₂⁺

Selenium dioxide cation

²A₁

C_2v

467

HCCO

ketenyl radical

²Π

C_∞v

468

HCCO

ketenyl radical

²A^"

C_s

469

HCOO

formate neutral radical

²A^'

C_s

470

HOCO

Hydrocarboxyl radical

¹A^'

cis

471

HOCO

Hydrocarboxyl radical

¹A^'

trans

472

HOCO⁺

Hydrocarboxyl cation

¹A^'

C_s

473

HNO₂⁺

nitrous acid cation

²A^'

C_s

474

CH₂CO⁺

Ketene cation

²B₁

C_2v

475

CH₂CHO

Vinyloxy radical

²A^"

C_s

476

CH₂OOH

CH2OOH radical

²A

C₁

477

CH₃OO

methylperoxy radical

²A^"

C_s

478

CH₃OO⁺

methylperoxy cation

¹A^'

C_s

479

C₂H₄O⁺

ethylene oxide cation

480

CH₃CHO⁺

acetaldehyde cation

481

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

482

CH₂CH₂OH

2-hydroxy ethyl radical

²A^'

C_s

483

CH₂CH₂OH

2-hydroxy ethyl radical

²A

C₁

484

CH₃CH₂O

Ethoxy radical

²A^'

C_s

485

CH₃CHOH

1-hydroxy-ethyl radical

²A

C₁

486

CH₃OCH₂

methoxymethyl radical

²A

C₁

487

CH₃CH₂SH

ethanethiol

¹A^'

C_s

488

CH₃SCH₃⁺

dimethyl sulfide cation

489

CuF₂

Copper difluoride

²Π_g

D_∞h

490

FCO

Carbonyl fluoride

²A^'

C_s

491

ClCO

carbonyl monochloride

²A^'

C_s

492

BF₂

Boron difluoride radical

²A₁

C_2v

493

BrNO

Nitrosyl bromide

¹A^'

C_s

494

CF₂

Difluoromethylene

³B₁

C_2v

495

CF₂^-

Difluoromethylene anion

²B₁

C_2v

496

CF₂⁺

Difluoromethylene cation

²A₁

C_2v

497

SiF₂

Silicon difluoride

¹A₁

C_2v

498

SiF₂

Silicon difluoride

³B₁

C_2v

499

SiF₂⁺

Silicon difluoride cation

²A₁

C_2v

500

CCl₂^-

dichloromethylene anion

²B₁

C_2v

501

CCl₂⁺

dichloromethylene cation

²A₁

C_2v

502

CBr₂

dibromomethylene

³B₁

C_2v

503

FOO⁺

Fluorine dioxide cation

504

ClOO⁺

chloroperoxy cation

¹A^'

C_s

505

OClO

Chlorine dioxide

²B₁

D_∞h

506

OClO^-

Chlorine dioxide anion

¹A^'

C_s

507

OClO⁺

Chlorine dioxide cation

¹A₁

C_2v

508

ClSO

Sulfur chloride oxide

²A^"

C_s

509

BrOO

Bromine dioxide

510

OBrO

Bromine dioxide radical

²B₁

C_2v

511

NF₂⁺

Difluoroamino cation

¹A₁

C_2v

512

PF₂

Phosphorus difluoride

513

SF₂^-

sulfur difluoride anion

²A^'

C_s

514

SF₂^-

sulfur difluoride anion

²Π

D_∞h

515

SF₂⁺

sulfur difluoride cation

²B₁

C_2v

516

BrOCl

Bromine hypochlorite

¹A^'

C_s

517

BrOBr

Bromine oxide

¹A₁

C_2v

518

HCCF⁺

fluoroacetylene cation

²Π

C_∞v

519

HFCO⁺

formyl fluoride cation

²A^'

C_s

520

COHCl

Formyl chloride

¹A^'

C_s

521

COHBr

Formyl bromide

¹A^'

C_s

522

CHCl₂

dichloromethyl radical

²B₁

C_2v

523

CHCl₂

dichloromethyl radical

²A^'

C_s

524

CHF₂

difluoromethyl radical

²A

C_s

525

CHFCl

Chlorofluoromethyl radical

526

CHBr₂

dibromomethyl radical

527

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

528

CH₂CH₂Cl

2-chloroethyl radical

²A^'

C_s

529

CHClCH₃

1-chloroethyl radical

²A

C₁

530

C₄

Carbon tetramer

³Σ_g

D_∞h

531

C₄H₂⁺

diacetlyene cation

²Π_g

D_∞h

532

CH₃CHCHCH₂

methylallyl radical

²A^"

C_s

533

C₂N₂⁺

Cyanogen cation

²Π_g

D_∞h

534

HCCCN⁺

Cyanoacetylene cation

²Π

C_∞v

535

C₃H₃N⁺

acrylonitrile cation

²A^"

C_s

536

NO₃⁺

nitrogen trioxide cation

¹A₁

C_2v

537

NO₃⁺

nitrogen trioxide cation

¹A₁^'

D_3h

538

SO₃^-

Sulfur trioxide anion

²A₁

pyramidal

539

SO₃^-

Sulfur trioxide anion

²A₂^"

planar

540

SO₃⁺

Sulfur trioxide cation

²A₂^'

D_3h

541

HSO₃

Hydroxysulfonyl radical

²A

C₁

542

C₂H₂O₂

Ethanedial

¹A_g

C_2h

543

CH₃COCH₂

Acetonyl radical

²A^"

C_s

544

CH₃COCH₃^-

acetone anion

²A^'

C_s

545

C₂Cl₂⁺

dichloroacetylene cation

²Π_U

D_∞h

546

BrONO

Bromine nitrite

¹A^'

CS trans

547

CF₂O⁺

Carbonic difluoride cation

548

COFCl

Carbonic chloride fluoride

¹A^'

C_s

549

COBr₂

Carbonic dibromide

¹A₁

C_2v

550

BF₃^-

Borane, trifluoro- anion

²A₁

D_3h

551

BF₃^-

Borane, trifluoro- anion

²A₁

C_3v

552

BF₃⁺

boron trifluoride cation

²A₂^'

D_3h

553

BF₃⁺

boron trifluoride cation

²B₂

C_2v

554

BF₃⁺

boron trifluoride cation

555

BCl₃⁺

Boron Trichloride cation

556

CF₃^-

Trifluoromethyl anion

¹A₁

C_3v

557

CF₃⁺

Trifluoromethyl cation

¹A₁^'

D_3h

558

CF₂Cl

difluorochloromethyl radical

559

SiF₃

Silicon trifluoride radical

²A₁

C_3v

560

SiF₃⁺

Silicon trifluoride cation

¹A₁^'

D_3h

561

CFCl₂

dichlorofluoromethyl radical

562

CCl₃^-

Trichloromethyl anion

¹A₁

C_3v

563

CCl₃⁺

Trichloromethyl cation

¹A₁^'

D_3h

564

CBr₃

tribromomethyl radical

565

NF₃

Nitrogen trifluoride

¹A₁

C_3v

566

NF₃^-

Nitrogen trifluoride anion

²A₁

C_3v

567

NF₃^-

Nitrogen trifluoride anion

²A

C_s

568

NF₃⁺

Nitrogen trifluoride cation

²A₁

C_3v

569

SF₃

Sulfur trifluoride

²A^'

C_s

570

CHBrF₂

Methane, bromodifluoro-

¹A^'

C_s

571

CHBrCl₂

Methane, bromodichloro-

¹A^'

C_s

572

CHClBr₂

Methane, dibromochloro-

¹A^'

C_s

573

C₅H₅

cyclopentadienyl radical

²B₁

C_2v

574

C₅H₇

cyclopentenyl radical

²A₂

C_2v

575

C₃H₃N₂

imidazolyl radical

²B₁

C_2v

576

C₄H₄N

pyrrolide radical

²A₂

C_2v

577

C₃O₂⁺

Carbon suboxide cation

²Π_U

D_∞h

578

CBrClF₂

Methane, bromochlorodifluoro-

¹A^'

C_s

579

C₂HF₃⁺

Trifluoroethylene cation

²A^"

C_s

580

SF₅

Sulfur pentafluoride

²A₁

C_4v

581

C₆H₅CH₂

benzyl radical

²B₁

C_s

582

C₇H₇

cycloheptatrienyl radical

²A₂

C_2v

583

C₆H₁₃N

cyclohexanamine

¹A

C₁

584

C₆H₅O

phenoxy radical

²B₁

C_2v

585

PF₆

Hexafluorophosphate neutral

²B₂

C_2v

586

C₆H₁₂O₂

Methyl pivalate

¹A

C₁

587

C₆H₁₂O₂

Hexanoic acid

¹A₁

C_s

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He	Helium atom	he
10	He^-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li^-	Lithium atom anion	li-
13	Na⁺	Sodium atom cation	na+
14	K	Potassium atom	k
15	K^-	Potassium atom anion	k-
16	K⁺	Potassium atom cation	k+
17	Cu	Copper atom	cu
18	Cu^-	Copper atom anion	cu-
19	Cu⁺	Copper atom cation	cu+
20	LiH	Lithium Hydride	lih
21	LiH^-	lithium hydride anion	lih-
22	NaH	sodium hydride	nah
23	NaH^-	sodium hydride anion	nah-
24	KH	Potassium hydride	kh
25	KH⁺	Potassium hydrogen cation	kh+
26	CuH	Copper monohydride	cuh
27	Be	Beryllium atom	be
28	Be^-	Beryllium atom anion	be-
29	Mg	Magnesium atom	mg
30	Ca	Calcium atom	ca
31	Ca^-	Calcium atom anion	ca-
32	Ca⁺	Calcium atom cation	ca+
33	Zn	Zinc atom	zn
34	Zn^-	Zinc atom anion	zn-
35	Zn⁺	Zinc atom cation	zn+
36	BeH^-	berylium monohydride anion	beh-
37	BeH⁺	beryllium monohydride cation	beh+
38	MgH^-	magnesium monohydride anion	mgh-
39	MgH⁺	magnesium monohydride cation	mgh+
40	CaH	Calcium monohydride	cah
41	CaH⁺	Calcium monohydride cation	cah+
42	ZnH	Zinc monohydride	znh
43	ZnH⁺	Zinc, protonated	znh+
44	BeH₂	beryllium dihydride	beh2
45	MgH₂	magnesium dihydride	mgh2
46	CaH₂	Calcium Hydride	cah2
47	ZnH₂	Zinc hydride	znh2
48	B^-	Boron atom anion	b-
49	BH	Boron monohydride	bh
50	BH^-	boron monohydride anion	bh-
51	BH⁺	boron monohydride cation	bh+
52	AlH	aluminum monohydride	alh
53	AlH^-	aluminum monohydride anion	alh-
54	AlH⁺	aluminum monohydride cation	alh+
55	ScH	Scandium monohydride	sch
56	GaH	Gallium monohydride	gah
57	BH₂	boron dihydride	bh2
58	BH₂⁺	Boron dihydride cation	bh2+
59	AlH₂	aluminum dihydride	alh2
60	BH₃	boron trihydride	bh3
61	BH₃^-	boron trihydride anion	bh3-
62	AlH₃	aluminum trihydride	alh3
63	ScH₃	Scandium trihydride	sch3
64	GaH₃	Gallium trihydride	gah3
65	AlH₄^-	Aluminum tetrahydride anion	alh4-
66	C^-	Carbon atom anion	c-
67	Ti	Titanium atom	ti
68	Ti^-	Titanium atom anion	ti-
69	Ti⁺	Titanium atom cation	ti+
70	Sn	Tin atom	sn
71	Sn⁺	Tin cation	sn+
72	CH^-	methylidyne anion	ch-
73	CH⁺	Methylidyne cation	ch+
74	SiH⁺	silicon monohydride cation	sih+
75	GeH⁺	Germaniun monohyrdide cation	geh+
76	CD₄	methane-d4	cd4
77	CH₂D₂	methane-d2	ch2d2
78	CH₃D	methane-d	ch3d
79	CH₄	Methane	ch4
80	CH₄^-	Methane anion	ch4-
81	CH₄⁺	Methane cation	ch4+
82	CHD₃	methane-d3	chd3
83	SiH₂D₂	silane-d2	sih2d2
84	SiH₄	Silane	sih4
85	GeH₄	Germane	geh4
86	SnH₄	Stannane	snh4
87	SiH₅⁺	Silane, protonated	sih5+
88	Sb	Antimony atom	sb
89	NH	Imidogen	nh
90	NH^-	Imidogen anion	nh-
91	NH⁺	imidogen cation	nh+
92	PH^-	phosphorus monohydride anion	ph-
93	PH⁺	phosphorus monohydride cation	ph+
94	SbH	Antimony monohydride	sbh
95	ND₂	Amidogen-d2	nd2
96	NH₂^-	amino anion	nh2-
97	PH₂	Phosphino radical	ph2
98	AsH₂⁺	Arsenic dihydride cation	ash2+
99	ND₃	Ammonia-d3	nd3
100	NH₃	Ammonia	nh3
101	PH₃	Phosphine	ph3
102	AsH₃	Arsine	ash3
103	SbH₃	Stibine	sbh3
104	AsH₄⁺	Arsonium	ash4+
105	NH₄⁺	ammonium cation	nh4+
106	PH₄⁺	phosphonium cation	ph4+
107	Cr	Chromium atom	cr
108	Te	Tellurium atom	te
109	Te⁺	Tellurium atom cation	te+
110	DO	Hydroxyl-d	od
111	OH^-	hydroxide anion	oh-
112	DS	Mercapto-d	ds
113	HSe^-	selenium monohydride anion	hse-
114	TeH	Telluryl radical	teh
115	D₂O	Deuterium oxide	d2o
116	H₂O	Water	h2o
117	HDO	Water-d1	hdo
118	D₂S	Hydrogen sulfide-d2	d2s
119	H₂S	Hydrogen sulfide	h2s
120	H₂Te	Hydrogen Telluride	h2te
121	H₃O⁺	hydronium cation	h3o+
122	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
123	Mn	Manganese atom	mn
124	I	Iodine atom	iodine
125	I^-	Iodine atom anion	iodine-
126	I⁺	Iodine atom cation	iodine+
127	DF	Hydrofluoric acid-d	df
128	HF	Hydrogen fluoride	hf
129	DCl	Hydrochloric acid-d	dcl
130	HCl	Hydrogen chloride	hcl
131	HI	Hydrogen iodide	hi
132	HI⁺	Hydrogen iodide cation	hi+
133	H₂F⁺	dihydrogen fluoride cation	h2f+
134	H₂Br⁺	protonated hydrogen bromide	h2br+
135	H₂I⁺	Iodonium	h2i+
136	Ne	Neon atom	ne
137	Ar	Argon atom	ar
138	Fe	Iron atom	fe
139	Kr	Krypton atom	kr
140	Xe	Xenon atom	xe
141	HeLi⁺	Helium Lithium cation	heli+
142	NeH⁺	neon hydrogen cation	neh+
143	KrH⁺	Protonated Krypton	krh+
144	XeH⁺	Xenon, protonated	xeh+
145	H₂Ar	H2 Ar dimer	h2ar
146	Co	Cobalt atom	cobalt
147	Ni	Nickel atom	ni
148	Li₂	Lithium diatomic	li2
149	Li₂^-	lithium diatomic anion	li2-
150	NaLi	lithium sodium	lina
151	NaLi^-	lithium sodium anion	lina-
152	NaLi⁺	lithium sodium cation	lina+
153	LiK	Lithium Potassium	lik
154	Na₂	Sodium diatomic	na2
155	NaK	Sodium Potassium	nak
156	NaK⁺	Sodium Potassium diatomic cation	nak+
157	K₂	Potassium diatomic	k2
158	Cu₂	Copper diatomic	cu2
159	Be₂	Beryllium diatomic	be2
160	Be₂⁺	Beryllium diatomic cation	be2+
161	BeMg	Beryllium Magnesium	bemg
162	Mg₂	Magnesium diatomic	mg2
163	Mg₂^-	magnesium diatomic anion	mg2-
164	Mg₂⁺	magnesium diatomic cation	mg2+
165	Ca₂	Calcium diatomic	ca2
166	LiAl	Lithium Aluminum	lial
167	NaAl	Sodium aluminum	naal
168	B₂^-	Boron diatomic anion	b2-
169	Al₂	Aluminum diatomic	al2
170	Al₂^-	aluminum diatomic anion	al2-
171	Al₂⁺	aluminum diatomic cation	al2+
172	LiBH₄	Lithium borohydride	libh4
173	B₂H₄	Diborane(4) D2d	b2h4
174	HBHHBH	Diborane(4) C2V	hbhhbh
175	B₂H₆	Diborane	b2h6
176	Al₂H₆	dialane	al2h6
177	Ga₂H₆	digallane	ga2h6
178	CaC	Calcium monocarbide	cac
179	BC⁺	boron monocarbide cation	bc+
180	C₂	Carbon diatomic	c2
181	C₂^-	carbon diatomic anion	c2-
182	Si₂^-	silcon diatomic anion	si2-
183	Si₂⁺	silcon diatomic cation	si2+
184	C₂H^-	Ethynyl anion	c2h-
185	C₂H⁺	Ethynyl cation	c2h+
186	ZnCH₂	Zinc methylene	znch2
187	C₂H₂	Acetylene	c2h2
188	Si₂H₂	disilyne	si2h2
189	CuCH₃	monomethyl copper	cuch3
190	ZnCH₃	Zinc monomethyl	znch3
191	CH₂BH	methyleneborane	ch2bh
192	C₂H₃^-	vinyl anion	c2h3-
193	C₂H₄	Ethylene	c2h4
194	CH₂SiH₂	silaethylene	ch2sih2
195	Si₂H₄	Disilene	si2h4
196	CH₃BH₂	methylborane	ch3bh2
197	C₂H₅^-	Ethyl anion	c2h5-
198	C₂H₅⁺	Ethyl cation	c2h5+
199	C₂H₆	Ethane	c2h6
200	CH₃SiH₃	methyl silane	ch3sih3
201	Si₂H₆	disilane	si2h6
202	GeH₃CH₃	methyl germane	geh3ch3
203	C₂H₇⁺	Ethane, protonated	c2h7+
204	BeN⁺	Beryllium mononitride cation	ben+
205	BN^-	boron nitride anion	bn-
206	AlN^-	aluminum mononitride anion	aln-
207	AlN⁺	aluminum mononitride cation	aln+
208	BN⁺	boron nitride cation	bn+
209	AlN	Aluminum nitride	aln
210	CN^-	cyanide anion	cn-
211	CN⁺	Cyano cation	cn+
212	CP	Carbon monophosphide	cp
213	CP^-	carbon monophosphide anion	cp-
214	CP⁺	carbon monophosphide cation	cp+
215	SiN	Silicon nitride	sin
216	SiN^-	silicon mononitride anion	sin-
217	SiN⁺	silicon mononitride cation	sin+
218	TiN	Titanium mononitride	tin
219	N₂	Nitrogen diatomic	n2
220	PN	Phosphorus mononitride	pn
221	PN^-	phosphorus nitride anion	pn-
222	PN⁺	phosphorus nitride cation	pn+
223	P₂	Phosphorus diatomic	p2
224	P₂^-	phosphorus diatomic anion	p2-
225	P₂⁺	phosphorus diatomic cation	p2+
226	AsN	Arsenic mononitride	asn
227	AsP	Arsenic monophosphide	asp
228	SbN	Antimony nitride	sbn
229	As₂	Arsenic diatomic	as2
230	HNC	hydrogen isocyanide	hnc
231	HCN	Hydrogen cyanide	hcn
232	HCN^-	Hydrogen cyanide anion	hcn-
233	HCP	Phosphaethyne	hcp
234	NNH	Dinitrogen monohydride	nnh
235	NNH⁺	Dinitrogen monohydride cation	nnh+
236	HPO	Hydrogen phosphorus oxide	hpo
237	LiNH₂	lithium amide	linh2
238	HBNH	Boranimine	hbnh
239	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
240	HCNH⁺	N-protonated HCN	hcnh+
241	H₂NN	Isodiazene	h2nn
242	N₂H₂	(E)-diazene	n2h2
243	N₂H₂	(Z)-Diazene	n2h2z
244	CH₂NH	Methanimine	ch3n
245	CHNH₂	aminomethylene	chnh2
246	CH₂PH	Phosphaethene	ch3p
247	BH₂NH₂	Boranamine	bh2nh2
248	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
249	N₂H₄	Hydrazine	n2h4
250	P₂H₄	Diphosphine	p2h4
251	CH₃NH₂	methyl amine	ch3nh2
252	CH₃PH₂	Methyl phosphine	ch3ph2
253	SiH₃NH₂	Silane, amino	sih3nh2
254	N₂H₅⁺	protonated hydrazine	n2h5+
255	BH₃PH₃	borane phosphine	bh3ph3
256	BH₃NH₃	borane ammonia	bh3nh3
257	CH₃NH₃⁺	protonated methylamine	ch3nh3+
258	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
259	NH₃NH₃	Ammonia Dimer	nh3nh3
260	N₂H₇⁺	ammonia ammonium dimer	n2h7+
261	NaO^-	sodium oxide anion	nao-
262	NaO⁺	sodium oxide cation	nao+
263	KO	Potassium monoxide	ko
264	KO⁺	Potassium monoxide cation	ko+
265	CuO	Copper Monoxide	cuo
266	BeO	beryllium oxide	beo
267	BeS	beryllium sulfide	bes
268	MgO	magnesium oxide	mgo
269	MgO^-	magnesium oxide anion	mgo-
270	MgO⁺	magnesium oxide cation	mgo+
271	CaO	Calcium monoxide	cao
272	MgS	magnesium sulfide	mgs
273	MgS^-	magnesium sulfide anion	mgs-
274	MgS⁺	magnesium sulfide cation	mgs+
275	CaS	Calcium sulfide	cas
276	ZnO	zinc monoxide	zno
277	ZnS	Zinc sulfide	zns
278	BeS^-	Beryllium monosulfide anion	bes-
279	BeS⁺	Beryllium monosulfide cation	bes+
280	AlO	Aluminum monoxide	alo
281	AlO^-	Aluminum monoxide anion	alo-
282	AlO⁺	aluminum monoxide cation	alo+
283	BS	boron sulfide	bs
284	BS^-	boron monosulfide anion	bs-
285	BS⁺	boron monosulfide cation	bs+
286	AlS	Aluminum sulfide	als
287	AlS^-	aluminum monosulfide anion	als-
288	AlS⁺	aluminum monosulfide cation	als+
289	BO⁺	boron monoxide cation	bo+
290	CO	Carbon monoxide	co
291	CS	carbon monosulfide	cs
292	CS^-	carbon monosulfide anion	cs-
293	CS⁺	carbon monosulfide cation	cs+
294	SiO	Silicon monoxide	sio
295	SiO^-	silicon monoxide anion	sio-
296	SiO⁺	silicon monoxide cation	sio+
297	SiS	silicon monosulfide	sis
298	SiS^-	silicon monosulfide anion	sis-
299	SiS⁺	silicon monosulfide cation	sis+
300	CSe	Carbon monoselenide	cse
301	CSe^-	Carbon monoselenide anion	cse-
302	CSe⁺	Carbon monoselenide cation	cse+
303	GeO	Germanium monoxide	geo
304	GeS	Germanium monosulfide	ges
305	SiSe	Silicon Monoselenide	sise
306	GeSe	Germanium monoselenide	gese
307	NO⁺	nitric oxide cation	no+
308	NS⁺	nitrogen sulfide cation	ns+
309	PO^-	phosphorus monoxide anion	po-
310	PO⁺	phosphorus monoxide cation	po+
311	PS^-	phosphorus monosulfide anion	ps-
312	PS⁺	phosphorus monosulfide cation	ps+
313	O₂^--	dioxygen dianion	o2--
314	SO^-	sulfur monoxide anion	so-
315	S₂^-	sulfur diatomic anion	s2-
316	S₂⁺	sulfur diatomic cation	s2+
317	SeO^-	selenium monoxide anion	seo-
318	SeO⁺	selenium monoxide cation	seo+
319	SeS	Selenium monosulfide	ses
320	SeS^-	selenium monosulfide anion	ses-
321	SeS⁺	selenium monosulfide cation	ses+
322	TeO	Tellurium monoxide	teo
323	Se₂^-	selenium diatomic anion	se2-
324	Se₂⁺	selenium diatomic cation	se2+
325	Te₂	Tellurium diatomic	te2
326	LiOH	lithium hydroxide	lioh
327	NaOH	sodium hydroxide	naoh
328	KOH	Potassium hydroxide	koh
329	MgOH	magnesium hydroxide	mgoh
330	CaOH	Calcium monohydroxide	caoh
331	HBO	Boron hydride oxide	hbo
332	HBS	hydrogen boron sulfide	hbs
333	COH⁺	Carbon Monoxide, protonated	coh+
334	HCS	Thioformyl radical	hcs
335	HCS^-	Thioformyl anion	hcs-
336	HNS	Sulfur imide	hns
337	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
338	H₂CO	Formaldehyde	h2co
339	HOCH	hydroxycarbene	hoch
340	H₂CS	Thioformaldehyde	h2cs
341	H₂CSe	Selenoformaldehyde	h2cse
342	H₂O₂	Hydrogen peroxide	h2o2
343	H₂OO	water oxide	h2oo
344	HOSH	hydrogen thioperoxide	hosh
345	H₂S₂	Disulfane	h2s2
346	H₂Se₂	hydrogen diselenide	h2se2
347	CH₂OH⁺	hydroxymethyl cation	ch2oh+
348	CH₃O	Methoxy radical	ch3o
349	CH₃O^-	methoxy anion	ch3o-
350	CH₃S	thiomethoxy	ch3s
351	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
352	NH₂OH	hydroxylamine	nh2oh
353	NH₃O	Ammonia Oxide	nh3o
354	H₂POH	Phosphinous acid	h2poh
355	H₃PO	Phosphine oxide	h3po
356	NH₂SH	Thiohydroxylamine	nh2sh
357	NH₃S	sulfidoazane	nh3s
358	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
359	CH₃OH	Methyl alcohol	ch3oh
360	CH₃SH	Methanethiol	ch3sh
361	SiH₃OH	silanol	sih3oh
362	CH₃SeH	Methane selenol	ch3seh
363	H₂OH₂O	water dimer	h2oh2o
364	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
365	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
366	H₂ONH₃	Water Ammonia Dimer	h2onh3
367	H₅O₂⁺	Dihydroxonium ion	h5o2+
368	LiF	lithium fluoride	lif
369	LiCl	lithium chloride	licl
370	LiCl^-	lithium chloride anion	licl-
371	LiCl⁺	lithium chloride cation	licl+
372	NaF	sodium fluoride	naf
373	NaF^-	sodium fluoride anion	naf-
374	KF	Potassium Fluoride	kf
375	NaCl	Sodium Chloride	nacl
376	NaCl^-	sodium chloride anion	nacl-
377	NaCl⁺	sodium chloride cation	nacl+
378	KCl	Potassium Chloride	kcl
379	CuF	Copper monofluoride	cuf
380	LiBr	Lithium Bromide	libr
381	LiBr^-	lithium bromide anion	libr-
382	LiBr⁺	lithium bromide cation	libr+
383	CuCl	Copper monochloride	cucl
384	NaBr	Sodium Bromide	nabr
385	NaBr^-	sodium bromide anion	nabr-
386	NaBr⁺	sodium bromide cation	nabr+
387	KBr	Potassium Bromide	kbr
388	LiI	Lithium Iodide	lii
389	NaI	Sodium Iodide	nai
390	KI	Potassium Iodide	ki
391	BeF	Beryllium monofluoride	bef
392	BeCl	beryllium monochloride	becl
393	MgF	Magnesium monofluoride	mgf
394	MgF^-	magnesium fluoride anion	mgf-
395	MgF⁺	magnesium fluoride cation	mgf+
396	CaF	Calcium monofluoride	caf
397	MgCl	magnesium monochloride	mgcl
398	MgCl^-	magnesium monochloride anion	mgcl-
399	MgCl⁺	magnesium monochloride cation	mgcl+
400	CaCl	calcium monochloride	cacl
401	ZnF^-	Zinc monofluoride anion	znf-
402	ZnF⁺	Zinc monofluoride cation	znf+
403	ZnCl	Zinc monochloride	zncl
404	CaBr	Calcium monobromide	cabr
405	BeCl^-	beryllium monochloride anion	becl-
406	BeCl⁺	beryllium monochloride cation	becl+
407	BF	Boron monofluoride	bf
408	BF^-	Boron monofluoride anion	bf-
409	BF⁺	Boron monofluoride cation	bf+
410	AlF	Aluminum monofluoride	alf
411	AlF^-	Aluminum monofluoride anion	alf-
412	AlF⁺	Aluminum monofluoride cation	alf+
413	BCl	boron monochloride	bcl
414	BCl^-	boron monochloride anion	bcl-
415	BCl⁺	boron monochloride cation	bcl+
416	AlCl	Aluminum monochloride	alcl
417	AlCl^-	aluminum monochloride anion	alcl-
418	AlCl⁺	aluminum monochloride cation	alcl+
419	ScF	Scandium monofluoride	scf
420	BBr	Boron monobromide	bbr
421	AlBr	Aluminum monobromide	albr
422	AlI	Aluminum monoiodide	ali
423	GaBr	Gallium monobromide	gabr
424	CF^-	carbon monofluoride anion	cf-
425	CF⁺	carbon monofluoride cation	cf+
426	CCl	carbon monochloride	ccl
427	CCl^-	carbon monochloride anion	ccl-
428	CCl⁺	carbon monochloride cation	ccl+
429	SiF⁺	silicon monofluoride cation	sif+
430	SiCl^-	silicon monochloride anion	sicl-
431	SiCl⁺	silicon monochloride cation	sicl+
432	GeF⁺	Germanium monofluoride cation	gef+
433	GeCl⁺	Germanium monochloride cation	gecl+
434	NF	nitrogen fluoride	nf
435	NF^-	nitrogen monofluorine anion	nf-
436	NF⁺	nitrogen monofluoirde cation	nf+
437	PF	phosphorus monofluoride	pf
438	PF^-	phosphorus monofluoride anion	pf-
439	PF⁺	phosphorus monofluoride cation	pf+
440	PCl	phosphorus chloride	pcl
441	PCl^-	phosphorus monochloride anion	pcl-
442	PCl⁺	phosphorus monochloride cation	pcl+
443	SbF	Antimony monofluoride	sbf
444	SbCl	Antimony monochloride	sbcl
445	FO^-	flourine oxide anion	fo-
446	FO⁺	fluorine monoxide cation	fo+
447	ClO^-	chlorine monoxide anion	clo-
448	SF^-	sulfur monofluoride anion	sf-
449	SCl^-	sulfur monochloride anion	scl-
450	BrO^-	Bromine monoxide anion	bro-
451	IO	Iodine monoxide	io
452	BrCl	Bromine monochloride	brcl
453	F₂	Fluorine diatomic	f2
454	ClF^-	clorine monofluoride anion	clf-
455	Cl₂	Chlorine diatomic	cl2
456	BrF	Bromine monofluoride	brf
457	BrF^-	bromine fluoride anion	brf-
458	BrF⁺	bromine fluoride cation	brf+
459	BrCl^-	bromine chloride anion	brcl-
460	BrCl⁺	bromine chloride cation	brcl+
461	IF	Iodine monofluoride	if
462	Br₂	Bromine diatomic	br2
463	ICl	Iodine monochloride	icl
464	IBr	Iodine monobromide	ibr
465	I₂	Iodine diatomic	i2
466	I₂⁺	Iodine diatomic cation	i2+
467	HCF	Fluoromethylene	hcf
468	HCCl	Chloromethylene	hccl
469	HSiF	fluorosilylene	hsif
470	HSiCl	Chlorosilylene	hsicl
471	HSiBr	monobromosilylene	hsibr
472	CHBr	bromomethylene	chbr
473	HOF	Hypofluorous acid	hfo
474	DOCl	Hypochlorous acid-d	docl
475	HOCl	hypochlorous acid	hocl
476	HOBr	Hypobromous acid	hobr
477	HOI	Hypoiodous acid	hoi
478	F₂H⁺	Fluorine, protonated	f2h+
479	FHF	Hydrogen difluoride	fhf
480	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
481	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
482	Cl₂H⁺	Chlorine, protonated	cl2h+
483	CH₂F⁺	fluoromethyl cation	ch2f+
484	CH₂Cl⁺	chloromethyl cation	ch2cl+
485	NH₂F	monofluoroamine	nh2f
486	NH₂Cl	chloramine	nh2cl
487	H₂F₂	Hydrogen fluoride dimer	h2f2
488	CD₃F	methylfluoride-d3	cd3f
489	CH₃F	Methyl fluoride	ch3f
490	CD₃Cl	methyl chloride d3	cd3cl
491	CH₃Cl	Methyl chloride	ch3cl
492	SiH₃F	monofluorosilane	sih3f
493	SiH₃Cl	chlorosilane	sih3cl
494	GeH₃F	monofluorogermane	geh3f
495	GeH₃Cl	monochlorogermane	geh3cl
496	SiH₃Br	bromosilane	sih3br
497	CH₃I	methyl iodide	ch3i
498	SiH₃I	Silyl Iodide	sih3i
499	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
500	CH₃ClH⁺	methyl chloride, protonated	ch3clh+

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

Helium atom

He^-

Helium atom anion

he-

HeH

Helium hydride

heh

Li^-

Lithium atom anion

li-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH

Lithium Hydride

lih

LiH^-

lithium hydride anion

lih-

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

Potassium hydride

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Beryllium atom

Be^-

Beryllium atom anion

be-

Magnesium atom

Calcium atom

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

MgH₂

magnesium dihydride

mgh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Boron monohydride

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH

Scandium monohydride

sch

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃

aluminum trihydride

alh3

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Tin atom

Sn⁺

Tin cation

sn+

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH⁺

silicon monohydride cation

sih+

GeH⁺

Germaniun monohyrdide cation

geh+

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄

Methane

ch4

CH₄^-

Methane anion

ch4-

CH₄⁺

Methane cation

ch4+

CHD₃

methane-d3

chd3

SiH₂D₂

silane-d2

sih2d2

SiH₄

Silane

sih4

GeH₄

Germane

geh4

SnH₄

Stannane

snh4

SiH₅⁺

Silane, protonated

sih5+

Antimony atom

Imidogen

NH^-

Imidogen anion

nh-

NH⁺

imidogen cation

nh+

PH^-

phosphorus monohydride anion

ph-

PH⁺

phosphorus monohydride cation

ph+

SbH

Antimony monohydride

sbh

ND₂

Amidogen-d2

nd2

NH₂^-

amino anion

nh2-

PH₂

Phosphino radical

ph2

AsH₂⁺

Arsenic dihydride cation

ash2+

ND₃

Ammonia-d3

nd3

100

NH₃

Ammonia

nh3

101

PH₃

Phosphine

ph3

102

AsH₃

Arsine

ash3

103

SbH₃

Stibine

sbh3

104

AsH₄⁺

Arsonium

ash4+

105

NH₄⁺

ammonium cation

nh4+

106

PH₄⁺

phosphonium cation

ph4+

107

Chromium atom

108

Tellurium atom

109

Te⁺

Tellurium atom cation

te+

110

Hydroxyl-d

111

OH^-

hydroxide anion

oh-

112

Mercapto-d

113

HSe^-

selenium monohydride anion

hse-

114

TeH

Telluryl radical

teh

115

D₂O

Deuterium oxide

d2o

116

H₂O

Water

h2o

117

HDO

Water-d1

hdo

118

D₂S

Hydrogen sulfide-d2

d2s

119

H₂S

Hydrogen sulfide

h2s

120

H₂Te

Hydrogen Telluride

h2te

121

H₃O⁺

hydronium cation

h3o+

122

H₃Se⁺

Hydrogen Selenide, protonated

h3se+

123

Manganese atom

124

Iodine atom

iodine

125

I^-

Iodine atom anion

iodine-

126

I⁺

Iodine atom cation

iodine+

127

Hydrofluoric acid-d

128

Hydrogen fluoride

129

DCl

Hydrochloric acid-d

dcl

130

HCl

Hydrogen chloride

hcl

131

Hydrogen iodide

132

HI⁺

Hydrogen iodide cation

hi+

133

H₂F⁺

dihydrogen fluoride cation

h2f+

134

H₂Br⁺

protonated hydrogen bromide

h2br+

135

H₂I⁺

Iodonium

h2i+

136

Neon atom

137

Argon atom

138

Iron atom

139

Krypton atom

140

Xenon atom

141

HeLi⁺

Helium Lithium cation

heli+

142

NeH⁺

neon hydrogen cation

neh+

143

KrH⁺

Protonated Krypton

krh+

144

XeH⁺

Xenon, protonated

xeh+

145

H₂Ar

H2 Ar dimer

h2ar

146

Cobalt atom

cobalt

147

Nickel atom

148

Li₂

Lithium diatomic

li2

149

Li₂^-

lithium diatomic anion

li2-

150

NaLi

lithium sodium

lina

151

NaLi^-

lithium sodium anion

lina-

152

NaLi⁺

lithium sodium cation

lina+

153

LiK

Lithium Potassium

lik

154

Na₂

Sodium diatomic

na2

155

NaK

Sodium Potassium

nak

156

NaK⁺

Sodium Potassium diatomic cation

nak+

157

K₂

Potassium diatomic

158

Cu₂

Copper diatomic

cu2

159

Be₂

Beryllium diatomic

be2

160

Be₂⁺

Beryllium diatomic cation

be2+

161

BeMg

Beryllium Magnesium

bemg

162

Mg₂

Magnesium diatomic

mg2

163

Mg₂^-

magnesium diatomic anion

mg2-

164

Mg₂⁺

magnesium diatomic cation

mg2+

165

Ca₂

Calcium diatomic

ca2

166

LiAl

Lithium Aluminum

lial

167

NaAl

Sodium aluminum

naal

168

B₂^-

Boron diatomic anion

b2-

169

Al₂

Aluminum diatomic

al2

170

Al₂^-

aluminum diatomic anion

al2-

171

Al₂⁺

aluminum diatomic cation

al2+

172

LiBH₄

Lithium borohydride

libh4

173

B₂H₄

Diborane(4) D2d

b2h4

174

HBHHBH

Diborane(4) C2V

hbhhbh

175

B₂H₆

Diborane

b2h6

176

Al₂H₆

dialane

al2h6

177

Ga₂H₆

digallane

ga2h6

178

CaC

Calcium monocarbide

cac

179

BC⁺

boron monocarbide cation

bc+

180

C₂

Carbon diatomic

181

C₂^-

carbon diatomic anion

c2-

182

Si₂^-

silcon diatomic anion

si2-

183

Si₂⁺

silcon diatomic cation

si2+

184

C₂H^-

Ethynyl anion

c2h-

185

C₂H⁺

Ethynyl cation

c2h+

186

ZnCH₂

Zinc methylene

znch2

187

C₂H₂

Acetylene

c2h2

188

Si₂H₂

disilyne

si2h2

189

CuCH₃

monomethyl copper

cuch3

190

ZnCH₃

Zinc monomethyl

znch3

191

CH₂BH

methyleneborane

ch2bh

192

C₂H₃^-

vinyl anion

c2h3-

193

C₂H₄

Ethylene

c2h4

194

CH₂SiH₂

silaethylene

ch2sih2

195

Si₂H₄

Disilene

si2h4

196

CH₃BH₂

methylborane

ch3bh2

197

C₂H₅^-

Ethyl anion

c2h5-

198

C₂H₅⁺

Ethyl cation

c2h5+

199

C₂H₆

Ethane

c2h6

200

CH₃SiH₃

methyl silane

ch3sih3

201

Si₂H₆

disilane

si2h6

202

GeH₃CH₃

methyl germane

geh3ch3

203

C₂H₇⁺

Ethane, protonated

c2h7+

204

BeN⁺

Beryllium mononitride cation

ben+

205

BN^-

boron nitride anion

bn-

206

AlN^-

aluminum mononitride anion

aln-

207

AlN⁺

aluminum mononitride cation

aln+

208

BN⁺

boron nitride cation

bn+

209

AlN

Aluminum nitride

aln

210

CN^-

cyanide anion

cn-

211

CN⁺

Cyano cation

cn+

212

Carbon monophosphide

213

CP^-

carbon monophosphide anion

cp-

214

CP⁺

carbon monophosphide cation

cp+

215

SiN

Silicon nitride

sin

216

SiN^-

silicon mononitride anion

sin-

217

SiN⁺

silicon mononitride cation

sin+

218

TiN

Titanium mononitride

tin

219

N₂

Nitrogen diatomic

220

Phosphorus mononitride

221

PN^-

phosphorus nitride anion

pn-

222

PN⁺

phosphorus nitride cation

pn+

223

P₂

Phosphorus diatomic

224

P₂^-

phosphorus diatomic anion

p2-

225

P₂⁺

phosphorus diatomic cation

p2+

226

AsN

Arsenic mononitride

asn

227

AsP

Arsenic monophosphide

asp

228

SbN

Antimony nitride

sbn

229

As₂

Arsenic diatomic

as2

230

HNC

hydrogen isocyanide

hnc

231

HCN

Hydrogen cyanide

hcn

232

HCN^-

Hydrogen cyanide anion

hcn-

233

HCP

Phosphaethyne

hcp

234

NNH

Dinitrogen monohydride

nnh

235

NNH⁺

Dinitrogen monohydride cation

nnh+

236

HPO

Hydrogen phosphorus oxide

hpo

237

LiNH₂

lithium amide

linh2

238

HBNH

Boranimine

hbnh

239

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

240

HCNH⁺

N-protonated HCN

hcnh+

241

H₂NN

Isodiazene

h2nn

242

N₂H₂

(E)-diazene

n2h2

243

N₂H₂

(Z)-Diazene

n2h2z

244

CH₂NH

Methanimine

ch3n

245

CHNH₂

aminomethylene

chnh2

246

CH₂PH

Phosphaethene

ch3p

247

BH₂NH₂

Boranamine

bh2nh2

248

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

249

N₂H₄

Hydrazine

n2h4

250

P₂H₄

Diphosphine

p2h4

251

CH₃NH₂

methyl amine

ch3nh2

252

CH₃PH₂

Methyl phosphine

ch3ph2

253

SiH₃NH₂

Silane, amino

sih3nh2

254

N₂H₅⁺

protonated hydrazine

n2h5+

255

BH₃PH₃

borane phosphine

bh3ph3

256

BH₃NH₃

borane ammonia

bh3nh3

257

CH₃NH₃⁺

protonated methylamine

ch3nh3+

258

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

259

NH₃NH₃

Ammonia Dimer

nh3nh3

260

N₂H₇⁺

ammonia ammonium dimer

n2h7+

261

NaO^-

sodium oxide anion

nao-

262

NaO⁺

sodium oxide cation

nao+

263

Potassium monoxide

264

KO⁺

Potassium monoxide cation

ko+

265

CuO

Copper Monoxide

cuo

266

BeO

beryllium oxide

beo

267

BeS

beryllium sulfide

bes

268

MgO

magnesium oxide

mgo

269

MgO^-

magnesium oxide anion

mgo-

270

MgO⁺

magnesium oxide cation

mgo+

271

CaO

Calcium monoxide

cao

272

MgS

magnesium sulfide

mgs

273

MgS^-

magnesium sulfide anion

mgs-

274

MgS⁺

magnesium sulfide cation

mgs+

275

CaS

Calcium sulfide

cas

276

ZnO

zinc monoxide

zno

277

ZnS

Zinc sulfide

zns

278

BeS^-

Beryllium monosulfide anion

bes-

279

BeS⁺

Beryllium monosulfide cation

bes+

280

AlO

Aluminum monoxide

alo

281

AlO^-

Aluminum monoxide anion

alo-

282

AlO⁺

aluminum monoxide cation

alo+

283

boron sulfide

284

BS^-

boron monosulfide anion

bs-

285

BS⁺

boron monosulfide cation

bs+

286

AlS

Aluminum sulfide

als

287

AlS^-

aluminum monosulfide anion

als-

288

AlS⁺

aluminum monosulfide cation

als+

289

BO⁺

boron monoxide cation

bo+

290

Carbon monoxide

291

carbon monosulfide

292

CS^-

carbon monosulfide anion

cs-

293

CS⁺

carbon monosulfide cation

cs+

294

SiO

Silicon monoxide

sio

295

SiO^-

silicon monoxide anion

sio-

296

SiO⁺

silicon monoxide cation

sio+

297

SiS

silicon monosulfide

sis

298

SiS^-

silicon monosulfide anion

sis-

299

SiS⁺

silicon monosulfide cation

sis+

300

CSe

Carbon monoselenide

cse

301

CSe^-

Carbon monoselenide anion

cse-

302

CSe⁺

Carbon monoselenide cation

cse+

303

GeO

Germanium monoxide

geo

304

GeS

Germanium monosulfide

ges

305

SiSe

Silicon Monoselenide

sise

306

GeSe

Germanium monoselenide

gese

307

NO⁺

nitric oxide cation

no+

308

NS⁺

nitrogen sulfide cation

ns+

309

PO^-

phosphorus monoxide anion

po-

310

PO⁺

phosphorus monoxide cation

po+

311

PS^-

phosphorus monosulfide anion

ps-

312

PS⁺

phosphorus monosulfide cation

ps+

313

O₂^--

dioxygen dianion

o2--

314

SO^-

sulfur monoxide anion

so-

315

S₂^-

sulfur diatomic anion

s2-

316

S₂⁺

sulfur diatomic cation

s2+

317

SeO^-

selenium monoxide anion

seo-

318

SeO⁺

selenium monoxide cation

seo+

319

SeS

Selenium monosulfide

ses

320

SeS^-

selenium monosulfide anion

ses-

321

SeS⁺

selenium monosulfide cation

ses+

322

TeO

Tellurium monoxide

teo

323

Se₂^-

selenium diatomic anion

se2-

324

Se₂⁺

selenium diatomic cation

se2+

325

Te₂

Tellurium diatomic

te2

326

LiOH

lithium hydroxide

lioh

327

NaOH

sodium hydroxide

naoh

328

KOH

Potassium hydroxide

koh

329

MgOH

magnesium hydroxide

mgoh

330

CaOH

Calcium monohydroxide

caoh

331

HBO

Boron hydride oxide

hbo

332

HBS

hydrogen boron sulfide

hbs

333

COH⁺

Carbon Monoxide, protonated

coh+

334

HCS

Thioformyl radical

hcs

335

HCS^-

Thioformyl anion

hcs-

336

HNS

Sulfur imide

hns

337

HSO⁺

Sulfur Monoxide, S-protonated

HSO+

338

H₂CO

Formaldehyde

h2co

339

HOCH

hydroxycarbene

hoch

340

H₂CS

Thioformaldehyde

h2cs

341

H₂CSe

Selenoformaldehyde

h2cse

342

H₂O₂

Hydrogen peroxide

h2o2

343

H₂OO

water oxide

h2oo

344

HOSH

hydrogen thioperoxide

hosh

345

H₂S₂

Disulfane

h2s2

346

H₂Se₂

hydrogen diselenide

h2se2

347

CH₂OH⁺

hydroxymethyl cation

ch2oh+

348

CH₃O

Methoxy radical

ch3o

349

CH₃O^-

methoxy anion

ch3o-

350

CH₃S

thiomethoxy

ch3s

351

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

352

NH₂OH

hydroxylamine

nh2oh

353

NH₃O

Ammonia Oxide

nh3o

354

H₂POH

Phosphinous acid

h2poh

355

H₃PO

Phosphine oxide

h3po

356

NH₂SH

Thiohydroxylamine

nh2sh

357

NH₃S

sulfidoazane

nh3s

358

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

359

CH₃OH

Methyl alcohol

ch3oh

360

CH₃SH

Methanethiol

ch3sh

361

SiH₃OH

silanol

sih3oh

362

CH₃SeH

Methane selenol

ch3seh

363

H₂OH₂O

water dimer

h2oh2o

364

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

365

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

366

H₂ONH₃

Water Ammonia Dimer

h2onh3

367

H₅O₂⁺

Dihydroxonium ion

h5o2+

368

LiF

lithium fluoride

lif

369

LiCl

lithium chloride

licl

370

LiCl^-

lithium chloride anion

licl-

371

LiCl⁺

lithium chloride cation

licl+

372

NaF

sodium fluoride

naf

373

NaF^-

sodium fluoride anion

naf-

374

Potassium Fluoride

375

NaCl

Sodium Chloride

nacl

376

NaCl^-

sodium chloride anion

nacl-

377

NaCl⁺

sodium chloride cation

nacl+

378

KCl

Potassium Chloride

kcl

379

CuF

Copper monofluoride

cuf

380

LiBr

Lithium Bromide

libr

381

LiBr^-

lithium bromide anion

libr-

382

LiBr⁺

lithium bromide cation

libr+

383

CuCl

Copper monochloride

cucl

384

NaBr

Sodium Bromide

nabr

385

NaBr^-

sodium bromide anion

nabr-

386

NaBr⁺

sodium bromide cation

nabr+

387

KBr

Potassium Bromide

kbr

388

LiI

Lithium Iodide

lii

389

NaI

Sodium Iodide

nai

390

Potassium Iodide

391

BeF

Beryllium monofluoride

bef

392

BeCl

beryllium monochloride

becl

393

MgF

Magnesium monofluoride

mgf

394

MgF^-

magnesium fluoride anion

mgf-

395

MgF⁺

magnesium fluoride cation

mgf+

396

CaF

Calcium monofluoride

caf

397

MgCl

magnesium monochloride

mgcl

398

MgCl^-

magnesium monochloride anion

mgcl-

399

MgCl⁺

magnesium monochloride cation

mgcl+

400

CaCl

calcium monochloride

cacl

401

ZnF^-

Zinc monofluoride anion

znf-

402

ZnF⁺

Zinc monofluoride cation

znf+

403

ZnCl

Zinc monochloride

zncl

404

CaBr

Calcium monobromide

cabr

405

BeCl^-

beryllium monochloride anion

becl-

406

BeCl⁺

beryllium monochloride cation

becl+

407

Boron monofluoride

408

BF^-

Boron monofluoride anion

bf-

409

BF⁺

Boron monofluoride cation

bf+

410

AlF

Aluminum monofluoride

alf

411

AlF^-

Aluminum monofluoride anion

alf-

412

AlF⁺

Aluminum monofluoride cation

alf+

413

BCl

boron monochloride

bcl

414

BCl^-

boron monochloride anion

bcl-

415

BCl⁺

boron monochloride cation

bcl+

416

AlCl

Aluminum monochloride

alcl

417

AlCl^-

aluminum monochloride anion

alcl-

418

AlCl⁺

aluminum monochloride cation

alcl+

419

ScF

Scandium monofluoride

scf

420

BBr

Boron monobromide

bbr

421

AlBr

Aluminum monobromide

albr

422

AlI

Aluminum monoiodide

ali

423

GaBr

Gallium monobromide

gabr

424

CF^-

carbon monofluoride anion

cf-

425

CF⁺

carbon monofluoride cation

cf+

426

CCl

carbon monochloride

ccl

427

CCl^-

carbon monochloride anion

ccl-

428

CCl⁺

carbon monochloride cation

ccl+

429

SiF⁺

silicon monofluoride cation

sif+

430

SiCl^-

silicon monochloride anion

sicl-

431

SiCl⁺

silicon monochloride cation

sicl+

432

GeF⁺

Germanium monofluoride cation

gef+

433

GeCl⁺

Germanium monochloride cation

gecl+

434

nitrogen fluoride

435

NF^-

nitrogen monofluorine anion

nf-

436

NF⁺

nitrogen monofluoirde cation

nf+

437

phosphorus monofluoride

438

PF^-

phosphorus monofluoride anion

pf-

439

PF⁺

phosphorus monofluoride cation

pf+

440

PCl

phosphorus chloride

pcl

441

PCl^-

phosphorus monochloride anion

pcl-

442

PCl⁺

phosphorus monochloride cation

pcl+

443

SbF

Antimony monofluoride

sbf

444

SbCl

Antimony monochloride

sbcl

445

FO^-

flourine oxide anion

fo-

446

FO⁺

fluorine monoxide cation

fo+

447

ClO^-

chlorine monoxide anion

clo-

448

SF^-

sulfur monofluoride anion

sf-

449

SCl^-

sulfur monochloride anion

scl-

450

BrO^-

Bromine monoxide anion

bro-

451

Iodine monoxide

452

BrCl

Bromine monochloride

brcl

453

F₂

Fluorine diatomic

454

ClF^-

clorine monofluoride anion

clf-

455

Cl₂

Chlorine diatomic

cl2

456

BrF

Bromine monofluoride

brf

457

BrF^-

bromine fluoride anion

brf-

458

BrF⁺

bromine fluoride cation

brf+

459

BrCl^-

bromine chloride anion

brcl-

460

BrCl⁺

bromine chloride cation

brcl+

461

Iodine monofluoride

462

Br₂

Bromine diatomic

br2

463

ICl

Iodine monochloride

icl

464

IBr

Iodine monobromide

ibr

465

I₂

Iodine diatomic

466

I₂⁺

Iodine diatomic cation

i2+

467

HCF

Fluoromethylene

hcf

468

HCCl

Chloromethylene

hccl

469

HSiF

fluorosilylene

hsif

470

HSiCl

Chlorosilylene

hsicl

471

HSiBr

monobromosilylene

hsibr

472

CHBr

bromomethylene

chbr

473

HOF

Hypofluorous acid

hfo

474

DOCl

Hypochlorous acid-d

docl

475

HOCl

hypochlorous acid

hocl

476

HOBr

Hypobromous acid

hobr

477

HOI

Hypoiodous acid

hoi

478

F₂H⁺

Fluorine, protonated

f2h+

479

FHF

Hydrogen difluoride

fhf

480

ClFH⁺

Chlorine fluoride, F-protonated

clfh+

481

FClH⁺

Chlorine fluoride, Cl-protonated

fclh+

482

Cl₂H⁺

Chlorine, protonated

cl2h+

483

CH₂F⁺

fluoromethyl cation

ch2f+

484

CH₂Cl⁺

chloromethyl cation

ch2cl+

485

NH₂F

monofluoroamine

nh2f

486

NH₂Cl

chloramine

nh2cl

487

H₂F₂

Hydrogen fluoride dimer

h2f2

488

CD₃F

methylfluoride-d3

cd3f

489

CH₃F

Methyl fluoride

ch3f

490

CD₃Cl

methyl chloride d3

cd3cl

491

CH₃Cl

Methyl chloride

ch3cl

492

SiH₃F

monofluorosilane

sih3f

493

SiH₃Cl

chlorosilane

sih3cl

494

GeH₃F

monofluorogermane

geh3f

495

GeH₃Cl

monochlorogermane

geh3cl

496

SiH₃Br

bromosilane

sih3br

497

CH₃I

methyl iodide

ch3i

498

SiH₃I

Silyl Iodide

sih3i

499

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

500

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

501

NH₄Cl

Ammonium chloride

nh4cl

502

LiNe⁺

Lithium Neon cation

line+

503

Ne₂

Neon diatomic

ne2

504

Ar₂

Argon diatomic

ar2

505

Li₃⁺

Lithium trimer cation

li3+

506

SiC₂

Silicon dicarbide

sic2

507

C₃H₃

Propargyl radical

propargyl

508

C₃H₃⁺

cyclopropenyl cation

cpr+

509

C₃H₄

cyclopropene

cprop

510

CH₂CCH₂

allene

511

CH₃CCH

propyne

512

C₃H₅⁺

Allyl cation

allyl+

513

Zn(CH₃)₂

dimethyl zinc

dmz

514

C₃H₆

Cyclopropane

c3h6

515

CH₂CHCH₃

Propene

propene

516

C₃H₇⁺

cyclopropane, protonated

c3h7+

517

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

518

C₃H₈

Propane

propane

519

SiH₂(CH₃)₂

dimethylsilane

dms

520

Si₃H₈

trisilane

si3h8

521

NaCN

Sodium Cyanide

nacn

522

KCN

Potassium cyanide

kcn

523

CuCN

Copper cyanide

cucn

524

AlCN

Aluminum monocyanide

alcn

525

AlNC

Aluminum isocyanide

alnc

526

CN₂

3H-Diazirin-3-ylidene

cn2

527

N₃^-

azide anion

n3-

528

HCNN

diazomethyl radical

hcnn

529

HNCNH

diiminomethane

hncnh

530

CH₂N₂

diazirine

ch2n2

531

CH₂NN

diazomethane

ch2nn

532

NH₂CN

cyanamide

533

HNNNH⁺

1,2-Triazadienium

n2h3+

534

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

535

CH₃CN

Acetonitrile

ch3cn

536

CH₃NC

methyl isocyanide

ch3nc

537

CHNCH₂

2H-Azirine

c157164

538

CHNHCH

1H-Azirine

chnhch

539

H₂CCNH

Ethenimine

ch2cnh

540

H₂CNCH

methyleneaminomethylene

ch2nch

541

HCCNH₂

Ethynamine

hccnh2

542

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

543

NCNH₃⁺

Cyanamide, protonated

ncnh3+

544

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

545

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

546

NHCHNH₂

aminomethanimine

cn2h4

547

C₂H₅N

Aziridine

c2h5n

548

CH₂CHNH₂

aminoethene

549

CH₂NCH₃

N-methylmethanimine

nmm

550

CH₃CHNH

ethanimine

551

NH₂BHNH₂

diaminoborane

nh2bhnh2

552

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

553

C₂H₆N⁺

aziridine, protonated

c2h6n+

554

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

555

CH₃CH₂NH₂

Ethylamine

etam

556

CH₃NHCH₃

Dimethylamine

ch3nhch3

557

CH₃PHCH₃

dimethylphosphine

ch3phch3

558

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

559

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

560

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

561

Li₂O

dilithium oxide

li2o

562

Li₂S

dilithium sulfide

li2s

563

Na₂O

disodium monoxide

na2o

564

Na₂S

Sodium sulfide

na2s

565

CNO^-

fulminate

cno-

566

NCO^-

cyanate

nco-

567

SCN^-

thiocyanide anion

scn-

568

BO₂

Boron dioxide

bo2

569

BO₂^-

Boron dioxide anion

bo2-

570

N₂O

Nitrous oxide

n2o

571

NNS

Nitrogen sulfide

nns

572

PPO

Phosphorus oxide phosphide

ppo

573

CO₂

Carbon dioxide

co2

574

OCS

Carbonyl sulfide

cos

575

SiO₂

silicon dioxide

sio2

576

CS₂

Carbon disulfide

cs2

577

TiO₂

Titanium dioxide

tio2

578

SiS₂

Silicon disulfide

sis2

579

GeO₂

Germanium dioxide

geo2

580

OCSe

Carbonyl selenide

ocse

581

SCSe

Carbon sulfide selenide

scse

582

GeS₂

Germanium disulfide

ges2

583

CSe₂

Carbon diselenide

cse2

584

SCTe

Carbon sulfide Telluride

scte

585

PO₂^-

Phosphorus dioxide anion

po2-

586

O₃

Ozone

587

SSO

Disulfur monoxide

sso

588

S₃

Sulfur trimer

589

SeO₂

Selenium dioxide

seo2

590

TeO₂

Tellurium Dioxide

teo2

591

CS₂H⁺

Carbon disulfide, protonated

cs2h+

592

HCNO

fulminic acid

hcno

593

HNCO

Isocyanic acid

hnco

594

HOCN

cyanic acid

hocn

595

HNCS

Isothiocyanic acid

hncs

596

HSCN

thiocyanic acid

hscn

597

HCO₂^-

formate anion

hco2-

598

HNNO

nitrosoazane

hnno

599

HNNO⁺

Nitrous oxide, N-protonated

hnno+

600

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

601

HNO₂

Nitrous acid

hno2

602

O₃H⁺

protonated ozone

o3h+

603

SO₂H⁺

protonated sulfur dioxide

so2h+

604

C₂H₂O

Oxirene

oxirene

605

CH₂CO

Ketene

ch2co

606

HCCOH

ethynol

hccoh

607

CH₂CS

Thioketene

ch2cs

608

Be(OH)₂

Beryllium hydroxide

beo2h2

609

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

610

NH₂NO

Nitrosamide

nh2no

611

CH₂O₂

Dioxirane

diox

612

H₂COO

Dioxymethyl radical

h2coo

613

H₂COO⁺

dioxymethyl cation

h2coo+

614

HCOOH

Formic acid

ch2o2

615

H₂O₃

Hydrogen trioxide

h2o3

616

HSSSH

trisulfane

hsssh

617

NaOCH₃

Sodium methoxide

naoch3

618

CH₂BOH

hydroxy(methylene)borane

ch2boh

619

BH₃CO

Borane carbonyl

bh3co

620

CH₃BO

Borane, methyloxo-

ch3bo

621

CH₂COH⁺

ketene, protonated

ch2coh+

622

CH₃CO

Acetyl radical

ch3co

623

CH₃CO^-

Acetyl anion

ch3co-

624

CH₃CO⁺

acetyl cation

ch3co+

625

CH₂NOH

formaldoxime

ch2noh

626

CH₃NO

nitrosomethane

ch3no

627

CHONH₂

formamide

628

CNOH₃

1,2-oxaziridine

cnoh3

629

HOCHNH

hydroxymethylimine

hochnh

630

CHSNH₂

thioformamide

chsnh2

631

NHCHSH

Methanimidothioic acid

nhchsh

632

CH₃OO^-

methylperoxy anion

ch3oo-

633

C₂H₄O

Ethylene oxide

c2h4o

634

CH₂CHOH

ethenol

ch2choh

635

CH₃CHO

Acetaldehyde

ch3cho

636

C₂H₄S

Thiirane

thiirane

637

CH₂CHSH

Ethenethiol

ch2chsh

638

CH₃CHS

Thioacetaldehyde

ch3chs

639

H₂CONH₂⁺

protonated formamide

h2conh2+

640

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

641

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

642

CH₂(OH)₂

methanediol

ch2o2h2

643

CH₃OOH

Methyl peroxide

ch3ooh

644

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

645

HSCH₂SH

Methanedithiol

ch4s2

646

H₂OH₂CO

water formaldehyde dimer

h2oh2co

647

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

648

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

649

NH₂CH₂OH

aminomethanol

nh2ch2oh

650

CH₃CH₂OH

Ethanol

etoh

651

CH₃OCH₃

Dimethyl ether

meome

652

CH₃SCH₃

Dimethyl sulfide

mesme

653

CH₃SeCH₃

dimethylselenide

dmse

654

CH₃OHH₂O

methanol water dimer

ch3ohh2o

655

H₂OCH₃OH

water methanol dimer

h2och3oh

656

ZnF₂

Zinc difluoride

znf2

657

CNF

iso cyanogen fluoride

cnf

658

FCN

Cyanogen fluoride

fcn

659

ClCN

chlorocyanogen

clcn

660

BrCN

Cyanogen bromide

brcn

661

ICN

Cyanogen iodide

icn

662

FBO

Boron monofluoride monoxide

fbo

663

BeF₂

Beryllium fluoride

bef2

664

MgF₂

Magnesium fluoride

mgf2

665

BeCl₂

Beryllium chloride

becl2

666

MgCl₂

Magnesium dichloride

mgcl2

667

CaCl₂

Calcium Chloride

cacl2

668

ZnCl₂

Zinc dichloride

zncl2

669

BeBr₂

Beryllium bromide

bebr2

670

CaBr₂

Calcium dibromide

cabr2

671

CaF₂

Calcium difluoride

caf2

672

FCO⁺

Carbonyl fluoride cation

fco+

673

FNO

Nitrosyl fluoride

fno

674

ClNO

Nitrosyl chloride

clno

675

FNS

Thionitrosyl fluoride

fns

676

FSN

Thiazyl fluoride

fsn

677

OPCl

Phosphorus oxychloride

opcl

678

INO

Nitrosyl iodide

ino

679

CF₂

Difluoromethylene

cf2

680

CFCl

chlorofluoromethylene

cfcl

681

CCl₂

dichloromethylene

ccl2

682

SiCl₂

Dichlorosilylene

sicl2

683

GeF₂

Germanium difluoride

gef2

684

GeCl₂

Germanium dichloride

gecl2

685

CBr₂

dibromomethylene

cbr2

686

FOO

Dioxygen monofluoride radical

foo

687

ClOO

chloroperoxy radical

cloo

688

ClS₂

Sulfur chloride

cls2

689

NF₂

Difluoroamino radical

nf2

690

PF₂⁺

Phosphorus difluoride cation

pf2+

691

FClO

chlorosyl fluoride

fclo

692

F₂O

Difluorine monoxide

f2o

693

ClOF

Chlorine hypofluorite

clof

694

SF₂

sulfur difluoride

sf2

695

Cl₂O

Dichlorine monoxide

cl2o

696

SCl₂

Sulfur dichloride

scl2

697

SeF₂

Selenium difluoride

sef2

698

SeCl₂

Selenium Dichloride

secl2

699

SBr₂

Sulfur dibromide

sbr2

700

SeBr₂

Selenium dibromide

sebr2

701

F₃^-

trifluoride anion

f3-

702

Cl₃^-

trichloride anion

cl3-

703

Br₃^-

tribromide anion

br3-

704

I₃^-

triiodide

i3-

705

SFCl

Sulfur chloride fluoride

sfcl

706

HCCF

Fluoroacetylene

hccf

707

HCCCl

Chloroacetylene

hcccl

708

HCCBr

bromoacetylene

hccbr

709

HFCO

formyl fluoride

hfco

710

BHF₂

Difluoroborane

bhf2

711

BHCl₂

Borane, dichloro-

bhcl2

712

CHF₂⁺

difluoromethyl cation

chf2+

713

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

714

CHCl₂⁺

dichloromethyl cation

chcl2+

715

HOClO

Chlorous acid

hoclo

716

NHF₂

difluoramine

nhf2

717

NHCl₂

dichloroamine

nhcl2

718

CH₂F₂

Methane, difluoro-

ch2f2

719

CH₂FCl

fluorochloromethane

ch2fcl

720

SiH₂F₂

difluorosilane

sih2f2

721

CH₂Cl₂

Methylene chloride

ch2cl2

722

CH₂BrF

Methane, bromofluoro-

ch2fbr

723

CH₂BrCl

Methane, bromochloro-

ch2clbr

724

CH₂FI

fluoroiodomethane

ch2fi

725

CH₂Br₂

dibromomethane

ch2br2

726

CH₂ClI

chloroiodomethane

ch2cli

727

CH₂BrI

bromoiodomethane

ch2bri

728

CH₂I₂

Diiodomethane

ch2i2

729

SiH₂Cl₂

dichlorosilane

sih2cl2

730

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

731

CH₂CHF⁺

fluoroethene cation

ch2chf+

732

C₂H₃Cl

Ethene, chloro-

ch2chcl

733

C₂H₃Br

vinyl bromide

c2h3br

734

C₂H₃I

Vinyl iodide

c2h3i

735

CH₂FOH

fluoromethanol

ch2foh

736

CH₃OCl

methyl hypochlorite

ch3ocl

737

C₂H₅F

fluoroethane

c2h5f

738

CH₃CH₂Cl

Ethyl chloride

c2h5cl

739

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

740

C₂H₅Br

Ethyl bromide

etbr

741

C₂H₅I

Ethyl iodide

c2h5i

742

KrF₂

Krypton difluoride

krf2

743

XeF₂

Xenon difluoride

xef2

744

B₄H₁₀

Tetraborane(10)

b4h10

745

C₄⁺

Carbon tetramer cation

c4+

746

C₄H₂

Diacetylene

c4h2

747

C₂H₃CCH

1-Buten-3-yne

c2h3cch

748

C₄H₄

cyclobutadiene

cbd

749

C₄H₄

Tetrahedrane

c4h4

750

H₂CCCCH₂

Butatriene

h2cccch2

751

C₄H₆

1-Methylcyclopropene

c3100047

752

C₄H₆

Cyclobutene

c822355

753

C₄H₆

Methylenecyclopropane

c6142730

754

CH₂CCHCH₃

1,2-Butadiene

butad12

755

CH₂CHCHCH₂

1,3-Butadiene

c106990

756

CH₃CCCH₃

2-Butyne

c503173

757

CHCCH₂CH₃

1-Butyne

c107006

758

C₄H₈

methylcyclopropane

mcp

759

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

760

CH₂CHCH₂CH₃

1-Butene

bute1

761

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

762

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

763

B(CH₃)₃

trimethylborane

bme3

764

Al(CH₃)₃

trimethyl aluminum

tma

765

C(CH₃)₃

Tert-butyl radical

tbutyl

766

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

767

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

768

CH₃CH(CH₃)CH₃

Isobutane

isobutane

769

CH₃CH₂CH₂CH₃

Butane

butane

770

SiH(CH₃)₃

trimethylsilane

trimsi

771

Li₃N

trilithium nitride

li3n

772

C₂N₂

Cyanogen

c2n2

773

P₄

Phosphorus tetramer

774

As₄

Arsenic tetramer

as4

775

HCCCN

Cyanoacetylene

hcccn

776

H₂CNCN

cyanamide, methylene

ch2ncn

777

HNCCNH

Ethenediimine

hnccnh

778

C₃H₃N

acrylonitrile

ch2chcn

779

CH₃N₃

methyl azide

ch3n3

780

NH₂CCNH₂

Diaminoacetylene

daa

781

NH₂CH₂CN

Aminoacetonitrile

aan

782

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

783

C₂H₅CN

ethyl cyanide

c2h5cn

784

CH₅N₃

Guanidine

guanidine

785

C₄H₆

Bicyclo[1.1.0]butane

c157335

786

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

787

H₂NCHCHNH₂

diaminoethylene

dae

788

CH₆N₃⁺

guanidinium

ch6n3+

789

C₃H₇N

Cyclopropylamine

cpram

790

CH₇N₃

triaminomethane

tam

791

C₃H₇N

Azetidine

azet

792

C₄H₈

cyclobutane

cbutane

793

C₂H₈N₂

Ethylenediamine

ethdiam

794

CH₃NHNHCH₃

dimethyl hydrazine

dmh

795

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

796

N(CH₃)₃

Trimethylamine

trimeam

797

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

798

P(CH₃)₃

trimethylphosphine

tmp

799

N(SiH₃)₃

trisilylamine

tsa

800

As(CH₃)₃

trimethyl arsine

tmas

801

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

802

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

803

Li₂O₂

dilithium dioxide

li2o2

804

Na₂O₂

disodium dioxide

na2o2

805

K₂O₂

dipotassium dioxide

k2o2

806

C₃O

Tricarbon monoxide

c3o

807

B₂O₂

Diboron dioxide

b2o2

808

ONNO

NO dimer

onno

809

S₂N₂

Disulfur dinitride

s2n2

810

CO₃

Carbon trioxide

co3

811

CO₃^--

carbonate

co3--

812

CS₃^--

Carbonotrithioate

cs3--

813

NO₃^-

nitrate anion

no3-

814

SO₃

Sulfur trioxide

so3

815

SO₃^--

Sulfate dianion

so3--

816

SeO₃

selenium trioxide

seo3

817

S₄

Sulfur tetramer

818

TeO₃

Tellurium trioxide

teo3

819

HCO₃^-

bicarbonate anion

hco3-

820

HNO₃

Nitric acid

hno3

821

NH₂NO₂

nitramide

nh2no2

822

C₂H₂CO

cyclopropenone

c2h2co

823

C₃H₂O

Propadienal

c3h2o

824

HCCCHO

2-propynal

hcccho

825

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

826

H₂CO₃

Carbonic acid

h2co3

827

H₂CS₃

thiocarbonic acid

h2cs3

828

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

829

H₂SO₃

Sulfurous acid

h2so3

830

C₂H₃NO

Nitrosoethylene

c2h3no

831

CH₃NCO

methylisocyante

ch3nco

832

HOCH₂CN

cyanomethanol

hoch2cn

833

CH₃COO^-

acetate anion

ch3coo-

834

CH₃NO₂

Methane, nitro-

ch3no2

835

CH₃ONO

Methyl nitrite

ch3ono

836

NH₂COOH

Carbamic acid

nh2cooh

837

H₃BO₃

Boric acid

h3bo3

838

H₃AlO₃

Aluminum hydroxide

h3alo3

839

H₃CO₃⁺

carbonic acid, protonated

h3co3+

840

C₃H₄O

2-Propyn-1-ol

c107197

841

C₃H₄O

allenol

c9000071

842

C₃H₄O

Cyclopropanone

cpone

843

C₃H₄O

Methylketene

c6004440

844

CH₂CHCHO

Acrolein

c3h4o

845

NH₂CONH₂

Urea

urea

846

NH₂CONH₂⁺

Urea cation

urea+

847

NH₂CSNH₂

Thiourea

thiourea

848

C₂H₄O₂

1,3-dioxetane

c2h4o2

849

CH₃COOH

Acetic acid

ch3cooh

850

CH₃OCHO

methyl formate

ch3ocho

851

CHOCH₂OH

hydroxy acetaldehyde

haa

852

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

853

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

854

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

855

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

856

HCOOHH₂O

Formic acid water dimer

hcoohh2o

857

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

858

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

859

CH₃C(OH)=NH

Ethaninidic acid

eia

860

CH₃CHNOH

Acetaldoxime

acetaldoxime

861

CH₃CONH₂

Acetamide

acetamide

862

HCONHCH₃

N-methylformamide

nmfa

863

CH₃CSNH₂

Ethanethioamide

ch3csnh2

864

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

865

H₂NCOHNH₂⁺

urea, protonated

ureah+

866

C₂H₅OO

ethylperoxy radical

c2h5oo

867

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

868

C₃H₅OH

Cyclopropanol

cproh

869

C₃H₆O

2-Propen-1-ol

c107186

870

C₃H₆O

Acetone enol

enol

871

C₃H₆O

Oxetane

oxetane

872

C₃H₆O

Propylene oxide

prox

873

CH₃CH₂CHO

Propanal

propanal

874

CH₃COCH₃

Acetone

acetone

875

C₃H₆S

Thietane

thietane

876

C₃H₆S

Thiirane, methyl-

methiirane

877

CH₃CSCH₃

Thioacetone

ch3csch3

878

C₂H₆O₂

1,2-Ethanediol

ethdiol

879

CH₃OOCH₃

dimethylperoxide

dmp

880

CH₃SOCH₃

Dimethyl sulfoxide

dmso

881

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

882

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

883

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

884

HOCH₂CH₂NH₂

monoethanolamine

mea

885

C₃H₇OH

1-Propanol

proh

886

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

887

CH₃OC₂H₅

Ethane, methoxy-

etome

888

C₃H₇SH

1-Propanethiol

prsh

889

CH₃CHSHCH₃

2-Propanethiol

isoprsh

890

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

891

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

892

Li₂F₂

Lithium fluoride dimer

li2f2

893

Na₂F₂

Sodium Fluoride Dimer

na2f2

894

Na₂Cl₂

Disodium dichloride

na2cl2

895

C₂F₂

difluoroacetylene

c2f2

896

C₂Cl₂

dichloroacetylene

c2cl2

897

FNO₂

Nitryl fluoride

fno2

898

FONO

Nitrosyl hypofluorite

fono

899

ClNO₂

Nitryl chloride

clno2

900

ClONO

chlorine nitrite

clono

901

N₂F₂

(Z)-Difluorodiazene

n2f2_z

902

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

903

CF₂O

Carbonic difluoride

f2co

904

CCl₂O

Phosgene

cl2co

905

Cl₂CS

Thiophosgene

cl2cs

906

BF₃

Borane, trifluoro-

bf3

907

AlF₃

Aluminum trifluoride

alf3

908

BClF₂

Chlorodifluoroborane

bclf2

909

AlF₂Cl

Aluminum chloride difluoride

alclf2

910

ScF₃

Scandium trifluoride

ScF3

911

AlFCl₂

Aluminum dichloride fluoride

alcl2f

912

BCl₃

Borane, trichloro-

bcl3

913

GaF₃

Gallium trifluoride

gaf3

914

AlCl₃

Aluminum trichloride

alcl3

915

GaCl₃

Gallium trichloride

gacl3

916

BBr₃

Boron tribromide

bbr3

917

AlBr₃

Aluminum Bromide

albr3

918

ClO₃

Chlorine trioxide

clo3

919

ClO₃^-

chlorate anion

clo3-

920

BrO₃^-

Bromate anion

bro3-

921

CF₃

Trifluoromethyl radical

cf3

922

CCl₃

Trichloromethyl radical

ccl3

923

SiCl₃

trichlorosilyl radical

sicl3

924

SiCl₃⁺

trichlorosilyl cation

sicl3+

925

FOOF

Perfluoroperoxide

foof

926

ClO₂F

Chloryl fluoride

clo2f

927

F₂SO

Thionyl Fluoride

f2so

928

ClOOCl

Dichlorine dioxide

cloocl

929

FSSF

Difluorodisulfane

fssf

930

S₂F₂

Thio-thionyl fluoride

s2f2

931

SOCl₂

thionyl chloride

socl2

932

SSCl₂

Thiothionyl chloride

sscl2

933

SeOCl₂

selenium oxychloride

seocl2

934

PF₃

Phosphorus trifluoride

pf3

935

NCl₃

nitrogen trichloride

ncl3

936

AsF₃

Arsenic trifluoride

asf3

937

PCl₃

Phosphorus trichloride

pcl3

938

SbF₃

Antimony Trifluoride

sbf3

939

AsCl₃

Arsenous trichloride

ascl3

940

SbCl₃

Antimony Trichloride

sbcl3

941

NBr₃

Nitrogen Tribromide

nbr3

942

PBr₃

Phosphorus tribromide

pbr3

943

AsBr₃

Arsenic tribromide

asbr3

944

NI₃

Nitrogen triiodide

ni3

945

PI₃

Phosphorus triiodide

pi3

946

ClSSCl

Disulfur dichloride

s2cl2

947

ClF₃

Chlorine trifluoride

clf3

948

BrF₃

Bromine trifluoride

brf3

949

IF₃

iodone trifluoride

if3

950

HClO₃

Chloric Acid

hclo3

951

CHF₃

Methane, trifluoro-

chf3

952

CHF₂Cl

difluorochloromethane

chf2cl

953

SiHF₃

trifluorosilane

sihf3

954

CHFCl₂

fluorodichloromethane

chfcl2

955

CDCl₃

trichloromethane-d

cdcl3

956

CHCl₃

Chloroform

chcl3

957

SiHCl₃

Trichlorosilane

sihcl3

958

CHFClBr

fluorochlorobromomethane

chfclbr

959

CHF₂I

difluoroiodomethane

chf2i

960

CHBr₂F

dibromofluoromethane

chbr2f

961

CHFClI

fluorochloroiodomethane

chfcli

962

CHCl₂I

dichloroiodomethane

chcl2i

963

CHBr₃

bromoform

chbr3

964

CHI₃

Iodoform

chi3

965

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

966

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

967

C₂H₂F₂

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

c2h2f2e

968

C₂H₂F₂

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

c2h2f2z

969

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

970

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

971

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

972

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

973

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

974

CHClCHCl

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

chclchcle

975

CHClCHCl

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

chclchclz

976

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

977

CHBrCHBr

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

chbrchbre

978

CHBrCHBr

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

chbrchbrz

979

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

980

CH₃COF

Acetyl fluoride

ch3cof

981

CH₂ClCHO

chloroacetaldehyde

ch2clcho

982

CH₃COCl

Acetyl Chloride

ch3cocl

983

C₂H₄F₂

1,2-difluoroethane

c2h4f2

984

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

985

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

986

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

987

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

988

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

989

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

990

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

991

CH₂CFCH₃

2-fluoropropene

2fpro

992

CH₂CHCH₂F

Allyl Fluoride

allylf

993

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

994

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

995

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

996

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

997

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

998

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

999

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1000

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1001

CH₃CHFCH₃

2-Fluoropropane

prf2

1002

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1003

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1004

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1005

CH₃CHBrCH₃

i-propyl bromide

iprbr

1006

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1007

B₅H₉

pentaborane9

b5h9

1008

C₅H₄

pentatetraene

ptrene

1009

C₅H₅^-

cylopentadienyl anion

c5h5-

1010

C₅H₆

1,3-Cyclopentadiene

c542927

1011

C₅H₆

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

c78808

1012

C₅H₆

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

c2004695

1013

C₅H₆

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

c1574409

1014

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1015

C₅H₆

Cyclopropylacetylene

c6746947

1016

C₅H₆

Propellane

propellane

1017

C₅H₇

1,3-pentadienyl radical

pdyl

1018

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1019

C₅H₈

1,2-Pentadiene

c591957

1020

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1021

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1022

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1023

C₅H₈

1,4-Pentadiene

c591935

1024

C₅H₈

1-pentyne

a1pentyne

1025

C₅H₈

2,3-Pentadiene

c591968

1026

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1027

C₅H₈

Cyclobutane, methylene-

c1120565

1028

C₅H₈

Cyclopentene

c142290

1029

C₅H₈

Ethenylcyclopropane

c693867

1030

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1031

C₅H₁₀

1-Butene, 2-methyl-

c563462

1032

C₅H₁₀

2-Butene, 2-methyl-

c513359

1033

C₅H₁₀

2-Pentene, (E)-

c646048

1034

C₅H₁₀

2-Pentene, (Z)-

c627203

1035

C₅H₁₀

Cyclopentane

c287923

1036

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1037

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1038

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1039

C₅H₁₂

Butane, 2-methyl-

buta2

1040

C₅H₁₂

Pentane

pentane

1041

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1042

Si(CH₃)₄

tetramethylsilane

tms

1043

N₂O₃

Dinitrogen trioxide

n2o3

1044

C₃H₂N₂

Malononitrile

c3h2n2

1045

CH₂N₄

1H-Tetrazole

1htz

1046

C₃H₃N₂^-

imidizolyl anion

im-

1047

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1048

C₄H₄N^-

pyrrolide anion

c4h4n-

1049

C₃H₄N₂

1H-Imidazole

1himidaz

1050

C₃H₄N₂

1H-Pyrazole

1hpyraz

1051

C₃H₄N₂

2H-Imidazole

imid2h

1052

C₃H₄N₂

4H-Imidazole

imid4h

1053

C₄H₅N

(E)-2-Butenenitrile

c627269

1054

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1055

C₄H₅N

2H-pyrrole

pyrrole2

1056

C₄H₅N

3H-pyrrole

pyrrole3

1057

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1058

C₄H₅N

Pyrrole

pyrrole

1059

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1060

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1061

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1062

C₄H₆N⁺

pyrrole, protonated

ppyr

1063

C₃H₆N₂

3-Aminopropionitrile

c151188

1064

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1065

CH₃CH₂CH₂CN

Butanenitrile

c109740

1066

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1067

C₅H₈

Spiropentane

c157404

1068

C₄H₉N

Cyclobutylamine

cbam

1069

C₄H₉N

Pyrrolidine

pyrrolidine

1070

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1071

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1072

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1073

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1074

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1075

NH(C₂H₅)₂

diethylamine

dea

1076

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1077

C₃O₂

Carbon suboxide

c3o2

1078

B₂O₃

diboron trioxide

b2o3

1079

MgCO₃

Magnesium Carbonate

mgco3

1080

BeCO₃

Beryllium Carbonate

beco3

1081

CaCO₃

Calcium Carbonate

caco3

1082

ONONO

Nitrosyl nitrite

onono

1083

PO₄^---

phosphate

po4---

1084

SO₄^--

sulfate

so4--

1085

HOONO₂

peroxy nitric acid

hoono2

1086

HSO₄^-

bisulfate anion

hso4-

1087

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1088

C₃H₂O₂

Propiolic acid

c3h2o2

1089

CHOCOOH

oxo acetic acid

oaa

1090

CHOOCHO

diformyl ether

choocho

1091

H₂SO₄

Sulfuric acid

h2so4

1092

H₂SeO₄

Selenic acid

h2seo4

1093

C₃H₃NO

Isoxazole

isox

1094

C₃H₃NO

Oxazole

oxazole

1095

C₃H₃NS

Thiazole

thiazole

1096

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1097

CH₃NO₃

Methyl nitrate

ch3no3

1098

H₃PO₄

Phosphoric Acid

h3po4

1099

C₄H₄O

Furan

furan

1100

C₄H₄O⁺

Furan cation

furan+

1101

CH₃COCCH

3-butyn-2-one

c1423605

1102

C₄H₄S

Thiophene

furans

1103

C₄H₄Se

selenophene

c4h4se

1104

C₃H₄O₂

β–Propiolactone

beta

1105

C₃H₄O₂

2-Propenoic acid

propenoic2

1106

C₃H₄O₂

Methyl glyoxal

megly

1107

C₃H₄O₂

propanedial

1108

C₃H₄O₂

propenalol

1109

HOCHCCHOH

allenediol

aldiol

1110

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1111

C₂H₄O₃

trioxolane124

triox

1112

HOCH₂COOH

Hydroxyacetic acid

hac

1113

CH₂CHCONH₂

Acrylamide

c79061

1114

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1115

CH₅N₃S

Hydrazinecarbothioamide

c79196

1116

H₂NCH₂COOH

Glycine

glycine

1117

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1118

C₄H₆O

cis-2-butenal

butenal2c

1119

C₄H₆O

Cyclobutanone

cbutone

1120

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1121

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1122

CH₂CHOCHCH₂

Vinyl ether

vinylether

1123

CHOCHCHCH₃

2-Butenal

butenal2

1124

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1125

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1126

CH₂CHSCHCH₂

Divinyl sulfide

divis

1127

C₂H₆N₂O

Urea, methyl-

c598505

1128

C₃H₆O₂

1,3-Dioxolane

dioxolane

1129

CH₃CH₂COOH

Propanoic Acid

propanoic

1130

CH₃COOCH₃

methyl acetate

aame

1131

HCOOC₂H₅

Ethyl formate

faee

1132

C₂H₆O₂S

Dimethyl sulfone

c67710

1133

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1134

C₃H₇NO

dimethylformamide

dmf

1135

C₃H₇NO

Propanamide

propanam

1136

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1137

C₄H₈O

Cyclobutanol

c2919235

1138

C₄H₈O

Furan, tetrahydro-

thf

1139

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1140

CH₃COCH₂CH₃

2-Butanone

buta2one

1141

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1142

CHOCH₂CH₂CH₃

Butanal

butanal

1143

C₄H₈S

Thiophene, tetrahydro-

tht

1144

C₃H₈O₂

1,3-Propanediol

c504632

1145

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1146

C₃H₈O₂

Methane, dimethoxy-

c109875

1147

C₃H₈O₂

Propylene glycol

c57556

1148

C₃H₈S₂

1,3-Propanedithiol

c109808

1149

C₄H₁₀O

1-Butanol

butanol1

1150

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1151

C₄H₁₀O

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

butanol2

1152

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1153

C₄H₁₀O

Ethoxy ethane

etoet

1154

C₄H₁₀O

Methyl propyl ether

meopr

1155

C₄H₁₀O

Propane, 2-methoxy-

c598538

1156

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1157

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1158

C₂H₅SC₂H₅

Diethyl sulfide

etset

1159

C₄H₉SH

1-Butanethiol

bush

1160

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1161

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1162

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1163

FNO₃

Fluorine nitrate

fno3

1164

ClONO₂

Chlorine nitrate

clono2

1165

BrONO₂

Bromine nitrate

brono2

1166

TiCl₄

Titanium tetrachloride

ticl4

1167

ClO₄^-

perchlorate anion

clo4-

1168

BF₄^-

tetrafluoroboron anion

bf4-

1169

ClFO₃

Perchloryl fluoride

clfo3

1170

SO₂F₂

Sulfuryl fluoride

so2f2

1171

SO₂Cl₂

Sulfuryl chloride

so2cl2

1172

F₃NO

Nitrogen trifluoride oxide

f3no

1173

F₃PO

Phosphoryl fluoride

pf3o

1174

Cl₃PO

Phosphoryl chloride

pcl3o

1175

CF₄

Carbon tetrafluoride

cf4

1176

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1177

SiF₄

Silicon tetrafluoride

sif4

1178

CF₂Cl₂

difluorodichloromethane

cf2cl2

1179

TiF₄

Titanium tetrafluoride

tif4

1180

CFCl₃

Trichloromonofluoromethane

cfcl3

1181

CF₃Br

Bromotrifluoromethane

cf3br

1182

GeF₄

Germanium tetrafluoride

gef4

1183

CCl₄

Carbon tetrachloride

ccl4

1184

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1185

SiCl₄

Silane, tetrachloro-

sicl4

1186

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1187

CF₃I

trifluoroiodomethane

cf3i

1188

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1189

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1190

GeCl₄

Germanium Tetrachloride

gecl4

1191

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1192

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1193

CCl₃I

trichloroiodomethane

ccl3i

1194

CFBr₃

fluorotribromomethane

cfbr3

1195

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1196

CBr₃Cl

tribromochloromethane

cbr3cl

1197

CF₂I₂

difluorodiiodomethane

cf2i2

1198

CBr₄

Carbon tetrabromide

cbr4

1199

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1200

SiBr₄

Silicon tetrabromide

sibr4

1201

CBr₃I

tribromoiododmethane

cbr3i

1202

GeBr₄

Germanium tetrabromide

gebr4

1203

CI₄

tetraiodomethane

ci4

1204

SiI₄

silicon tetraiodide

sii4

1205

ClOF₃

Chlorine trifluoride oxide

clof3

1206

SF₄

Sulfur tetrafluoride

sf4

1207

SeF₄

Selenium tetrafluoride

sef4

1208

SCl₄

Sulfur tetrachloride

scl4

1209

C₂HF₃

Trifluoroethylene

c2hf3

1210

CHClCCl₂

Trichloroethylene

chclccl2

1211

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1212

HClO₄

perchloric acid

hclo4

1213

HSO₃F

Fluorosulfonic acid

hso3f

1214

CF₃OH

trifluoromethanol

cf3oh

1215

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1216

CHClCCHCl

1,3-dichloroallene

chclcchcl

1217

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1218

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1219

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1220

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1221

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1222

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1223

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1224

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1225

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1226

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1227

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1228

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1229

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1230

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1231

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1232

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1233

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1234

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1235

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1236

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1237

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1238

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1239

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1240

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1241

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1242

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1243

CH₃CClCHCH₃

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

bute2cl2e

1244

CH₃CClCHCH₃

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

bute2cl2z

1245

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1246

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1247

C₄H₉F

1-fluorobutane

butaf1

1248

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1249

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1250

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1251

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1252

XeF₄

Xenon tetrafluoride

xef4

1253

C₂H₂N₂O

Furazan

furazan

1254

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1255

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1256

C₆H₂

hexatriyne

c6h2

1257

C₆H₄

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

c6h4e

1258

C₆H₄

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

c6h4z

1259

C₆H₄

Benzyne

benzyne

1260

C₆H₅

phenyl

1261

C₆H₅^-

phenyl anion

phenyl-

1262

C₆H₆

Prismane

prismane

1263

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1264

C₆H₆

2,4-Hexadiyne

hexadiyne

1265

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1266

C₆H₆

Benzene

benzene

1267

C₆H₆

Benzvalene

1268

C₆H₆

Dewar Benzene

dewar

1269

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1270

C₆H₆

Trimethylenecycopropane

tmcp

1271

C₆H₆⁺

Benzene cation

c6h6+

1272

C₆H₇⁺

benzene, protonated

c6h7+

1273

C₆H₈

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

c821078

1274

C₆H₈

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

c59660650

1275

C₆H₈

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

hexatri135

1276

C₆H₈

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

hetr234c

1277

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1278

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1279

C₆H₈

3-Methylenecyclopentene

c930267

1280

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1281

C₆H₈

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

c30830207

1282

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1283

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1284

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1285

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1286

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1287

C₆H₁₀

1,5-Hexadiene

c592427

1288

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1289

C₆H₁₀

1-Hexyne

hexyne1

1290

C₆H₁₀

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

hexdi24ee

1291

C₆H₁₀

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

hexdi24ez

1292

C₆H₁₀

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

hexdi24zz

1293

C₆H₁₀

2-Hexyne

c764352

1294

C₆H₁₀

3-Hexyne

hexyne3

1295

C₆H₁₀

cyclohexene

1296

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1297

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1298

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1299

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1300

C₆H₁₂

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

dmcb12t

1301

C₆H₁₂

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

dmcb13t

1302

C₆H₁₂

(E)-2-Hexene

e2hexene

1303

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1304

C₆H₁₂

(E)-hex-3-ene

e3hexene

1305

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1306

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1307

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1308

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1309

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1310

C₆H₁₂

3-methylenepentane

c760214

1311

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1312

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1313

C₆H₁₂

Cyclohexane

cyclohexane

1314

C₆H₁₂

Cyclopentane, methyl-

c96377

1315

C₆H₁₂

Ethylcyclobutane

c4806615

1316

C₆H₁₂

hex-1-ene

hexene1

1317

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1318

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1319

C₆H₁₄

Hexane

hexane

1320

C₆H₁₄

Pentane, 2-methyl-

penta2

1321

C₆H₁₄

Pentane, 3-methyl-

penta3

1322

C₄N₂

2-Butynedinitrile

c4n2

1323

N₃P₃

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

n3p3

1324

C₄H₂N₂

Fumaronitrile

c4h2n2

1325

C₂H₂N₄

sym-tetrazine

ttz

1326

C₃H₃N₃

1,3,5-Triazine

triazine135

1327

CH₃N₅

5-Aminotetrazole

c4418615

1328

C₄H₄N₂

1,3-Diazine

diazine13

1329

C₄H₄N₂

Pyrazine

pyrazine

1330

C₄H₄N₂

Pyridazine

pyridazine

1331

C₄H₄N₂

Succinonitrile

c110612

1332

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1333

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1334

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1335

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1336

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1337

C₅H₅N

Pyridine

pyridine

1338

B₃N₃H₆

borazine

1339

C₆H₆

Fulvene

fulvene

1340

C₅H₆N⁺

Pyridinium

c5h6n

1341

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1342

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1343

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1344

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1345

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1346

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1347

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1348

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1349

C₅H₉N

Pentanenitrile

c110598

1350

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1351

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1352

C₅H₁₁N

Cyclopentanamine

cypentam

1353

C₅H₁₁N

Piperidine

piper

1354

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1355

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1356

Li₂CO₃

Lithium Carbonate

li2co3

1357

Na₂CO₃

Sodium Carbonate

na2co3

1358

C₂O₄^--

oxalate anion

c2o4

1359

MgSO₄

Magnesium Sulfate

mgso4

1360

N₂O₄

Dinitrogen tetroxide

n2o4

1361

C₃H₂O₃

vinylene carbonate

vica

1362

C₂H₂O₄

Oxalic Acid

oxalic

1363

C₂H₃NO₃

Oxamic acid

oxamic

1364

C₄H₄O₂

2(5H)-Furanone

furanone

1365

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1366

C₂H₄N₂O₂

Oxalamide

oxalamide

1367

C₂H₄N₂S₂

Ethanedithioamide

c79403

1368

C₂H₄CO₃

Ethylene carbonate

etco3

1369

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1370

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1371

C₂H₄O₄

Formic acid dimer

fadimer

1372

C₄H₅NO

3-Methylisoxazole

isox3m

1373

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1374

C₄H₅NS

4-Methylthiazole

c693958

1375

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1376

C₅H₆O

2H-Pyran

pyran2

1377

C₅H₆O

2-methylfuran

furan2m

1378

C₅H₆O

3-Methylfuran

furan3m

1379

C₅H₆O

Pentadienal

pdal

1380

C₅H₆S

Thiophene, 2-methyl-

c554143

1381

C₅H₆S

Thiophene, 3-methyl-

c616444

1382

C₄H₆O₂

γ–Butyrolactone

c96480

1383

C₄H₆O₂

2,3-Butanedione

c431038

1384

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1385

C₄H₆O₂

Crotonic Acid

crot

1386

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1387

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1388

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1389

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1390

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1391

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1392

C₄H₆OS

Vinyl sulfoxide

c1115157

1393

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1394

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1395

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1396

C₃H₆O₃

1,3,5-Trioxane

trioxane

1397

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1398

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1399

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1400

C₄H₇NO

2-Pyrrolidinone

c616455

1401

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1402

C₄H₇NO

Methacrylamide

c79390

1403

C₄H₇NO

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

c1120645

1404

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1405

C₃H₇ONO

Propyl nitrite

prono

1406

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1407

CH₃CH(NH₂)COOH

Alanine

alanine

1408

CH₃NHCH₂COOH

Sarcosine

sarcosine

1409

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1410

NH₂COOC₂H₅

Urethane

urethane

1411

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1412

C₅H₈O

Cyclopentanone

c120923

1413

C₅H₈O

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

c1487156

1414

C₅H₈O

Methyl cyclopropyl ketone

c765435

1415

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1416

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1417

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1418

C₄H₈O₂

1,3-Dioxane

dioxan13

1419

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1420

C₄H₈O₂

1,4-Dioxane

dioxan14

1421

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1422

C₄H₈O₂

Ethyl acetate

c141786

1423

C₄H₈OS

s-Ethyl thioacetate

c625605

1424

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1425

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1426

C₄H₉NO

Butanamide

c541355

1427

C₄H₉NO

Propanamide, 2-methyl-

c563837

1428

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1429

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1430

C₅H₁₀O

2-methylbutyraldehyde

2meba

1431

C₅H₁₀O

2-Pentanone

mpk

1432

C₅H₁₀O

3-Pentanone

dek

1433

C₅H₁₀O

Cyclopentanol

c96413

1434

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1435

C₅H₁₀O

Pentanal

pal

1436

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1437

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1438

C₅H₁₀S

Cyclopentanethiol

c1679078

1439

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1440

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1441

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1442

C₄H₁₀O₂

1,3-Butanediol

budiol13

1443

C₄H₁₀O₂

1,4-Butanediol

budiol14

1444

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1445

C₄H₁₀OS

Diethyl sulfoxide

c70291

1446

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1447

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1448

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1449

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1450

C₅H₁₂O

1-Pentanol

pentanol1

1451

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1452

C₅H₁₂O

2-Pentanol

peol2

1453

C₅H₁₂O

3-Pentanol

pentan3ol

1454

C₅H₁₂O

Butane, 1-methoxy-

meobu

1455

C₅H₁₂O

Propane, 1-ethoxy-

proet

1456

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1457

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1458

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1459

C₅H₁₂S

1-Pentanethiol

c110667

1460

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1461

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1462

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1463

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1464

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1465

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1466

C₅H₁₂S

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

c6163640

1467

C₄F₂

difluorobutadiyne

c4f2

1468

ClCOClCO

Oxalyl chloride

oxcl

1469

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1470

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1471

B₂F₄

Diboron tetrafluoride

b2f4

1472

B₂Cl₄

Diboron tetrachloride

b2cl4

1473

C₂F₄

Tetrafluoroethylene

c2f4

1474

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1475

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1476

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1477

CFClCClF

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

cfclcclf

1478

CFClCFCl

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

cfclcfcl

1479

C₂FCl₃

fluorotrichloroethene

c2fcl3

1480

C₂Cl₄

Tetrachloroethylene

c2cl4

1481

C₂Br₄

tetrabromoethene

c2br4

1482

CF₃OF

Trifluoromethylhypofluorite

cf3of

1483

SiF₅^-

silicon pentafluoride anion

sif5-

1484

SOF₄

Sulfur tetrafluoride oxide

sof4

1485

PF₅

Phosphorus pentafluoride

pf5

1486

AsF₅

Arsenic pentafluoride

asf5

1487

PCl₅

Phosphorus pentachloride

pcl5

1488

SF₅⁺

pentafluoro sulfur cation

sf5+

1489

SbCl₅

Antimony pentachloride

sbcl5

1490

BrF₅

bromine pentafluoride

brf5

1491

ClF₅

chlorinepentafluoride

clf5

1492

IF₅

pentafluoroiodine

if5

1493

CF₃CHO

trifluoroacetaldehyde

cf3cho

1494

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1495

CHFClCHClF

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

chfclchclf

1496

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1497

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1498

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1499

CHFClCHFCl

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

chfclchfcl

1500

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1501

CHCl₂CHCl₂

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

chcl2chcl2

1502

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1503

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1504

CF₃COOH

trifluoroacetic acid

cf3cooh

1505

C₄H₃ClO

Furan, 2-chloro

fur2cl

1506

C₄H₃ClO

Furan,3-chloro

fur3cl

1507

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1508

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1509

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1510

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1511

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1512

C₄H₈Cl₂

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

c2211678

1513

C₄H₈Cl₂

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

c4028562

1514

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1515

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1516

C₄H₈O₂

Butanoic acid

bua

1517

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1518

C₆H₅CH₃

toluene

1519

C₇H₈

cycloheptatriene

cht

1520

C₇H₈

Norbornadiene

norbor

1521

C₇H₈

Quadricyclane

qucy

1522

C₇H₁₂

Norbornane

nor

1523

C₇H₁₄

cycloheptane

c7h14

1524

C₇H₁₆

2-methylhexane

2mhex

1525

C₇H₁₆

3-methylhexane

hex3m

1526

C₇H₁₆

heptane

1527

CH(CN)₃

tricyanomethane

mecn3

1528

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1529

C₆H₇N

2-Methylpyridine

1530

C₆H₅NH₂

aniline

1531

C₆H₁₅N

triethylamine

tea

1532

N₂O₅

Dinitrogen pentoxide

n2o5

1533

C₄H₂O₃

Maleic Anhydride

malan

1534

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1535

C₅H₄O₂

furfural

1536

C₅H₅NO

2(1H)-Pyridinone

c72762006

1537

C₅H₅NO

2(3H)-Pyridinone

c9000048

1538

C₅H₅NO

2(5H)-Pyridinone

c9000037

1539

C₅H₅NO

2-Pyridinol

c109104

1540

C₅H₅NO

3(2H)-Pyridinone

c9000004

1541

C₅H₅NO

3(4H)-Pyridinone

c9000026

1542

C₅H₅NO

3(6H)-Pyridinone

c9000015

1543

C₅H₅NO

3-Pyridinol

c109002

1544

C₅H₅NO

4(1H)-Pryidinone

c9000060

1545

C₅H₅NO

4(3H)-Pryidinone

c9000059

1546

C₅H₅NO

4-Pyridinol

c626642

1547

C₆H₅OH

phenol

1548

C₆H₆O

2,4-Cyclohexadienone

c24599573

1549

C₆H₆O

2,5-Cyclohexadienone

c5664335

1550

C₆H₅SH

Benzenethiol

phsh

1551

HO₂CCHNH₂CH₂OH

Serine

serine

1552

C₅H₈O₂

Acetylacetone

acac

1553

C₄H₈O₂S

Sulfolane

sulfolane

1554

C₇H₁₀

Norbornene

norbornene

1555

CH(C₂H₃)₃

trivinyl methane

tvm

1556

C₆H₁₀O

cyclohexanone

chexo

1557

C₆H₁₂O

hexanal

c6h12o

1558

C₆H₁₂O

Oxepane

oxepane

1559

C₃H₇OC₃H₇

di-n-propyl ether

propr

1560

F₂CCCF₂

tetrafluoroallene

pfa

1561

CF₃COO^-

trifluoro acetate anion

cf3coo-

1562

CF₃COF

trifluoroacetyl fluoride

cf3cof

1563

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1564

PF₆^-

Hexafluorophosphate ion

pf6-

1565

SF₆

Sulfur Hexafluoride

sf6

1566

SeF₆

Selenium hexafluoride

sef6

1567

SF₅Cl

sulfur chloropentafluoride

sf5cl

1568

CF₃CHF₂

pentafluoroethane

cf3chf2

1569

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1570

CF₃CHCl₂

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

cf3chcl2

1571

CHCl₂CClF₂

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

chcl2cclf2

1572

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1573

C₆H₅F

Fluorobenzene

bzf

1574

C₆H₅Cl

chlorobenzene

bzcl

1575

C₆H₅Br

bromobenzene

bzbr

1576

C₈H₆

Calicene

calicene

1577

C₆H₅CCH

phenylacetylene

phac

1578

C₈H₆

benzocyclobutadiene

bcbd

1579

C₈H₆

Pentalene

pentalene

1580

C₆H₅CHCH₂

Styrene

styrene

1581

C₈H₈

cubane

1582

C₈H₈

cyclooctatetraene

cot

1583

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1584

CH₃C₆H₄CH₃

meta-xylene

mxylene

1585

CH₃C₆H₄CH₃

paraxylene

pxylene

1586

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1587

C₈H₁₆

cyclooctane

cyclooct

1588

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1589

C₈H₁₈

Octane

c8h18

1590

C₆H₅CN

phenyl cyanide

phcn

1591

C₆H₁₂N₂

Triethylenediamine

ted

1592

C₄O₄^--

squarate dianion

c4o4--

1593

S₄N₄

Tetrasulfur tetranitride

s4n4

1594

S₈

Octasulfur

1595

C₆H₄O₂

parabenzoquinone

pbq

1596

C₄H₄N₂O₂

Uracil

uracil

1597

C₆H₅CHO

benzaldehyde

benzal

1598

C₆H₅OCH₃

Anisole

anisole

1599

C₅H₉NO₂

Proline

proline

1600

C₄F₄

tetrafluorcyclobutadiene

c4f4

1601

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1602

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1603

CF₂ClCF₂Cl

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

cf2clcf2cl

1604

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1605

CF₂ClCFCl₂

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

cf2clcfcl2

1606

CF₃CCl₃

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

cf3ccl3

1607

C₂F₆

hexafluoroethane

c2f6

1608

C₂Cl₆

hexachloroethane

c2cl6

1609

IF₇

Iodine heptafluoride

if7

1610

C₆H₄F₂

metadifluorobenzene

mdfb

1611

C₆H₄F₂

orthodifluorobenzene

odfb

1612

C₆H₄F₂

1,4-difluorobenzene

pdfb

1613

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1614

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1615

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1616

C₆H₅NO

nitrosobenzene

bzno

1617

C₉H₈

Indene

indene

1618

C₉H₈

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

snt

1619

C₉H₁₂

n-propyl benzene

prbz

1620

C₉H₂₀

Nonane

nonane

1621

C(CN)₄

tetracyanomethane

c5n4

1622

C₅H₄N₄

purine

1623

C₈H₇N

Indole

indole

1624

C₃H₃N₃O₃

cyanuric acid

cyanuric

1625

C₆H₅NO₂

Nitrobenzene

c6h5no2

1626

C₆H₅COOH

benzoic acid

benzo

1627

CH₃COC₆H₅

acetophenone

acph

1628

C₃Cl₃N₃

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

c3cl3n3

1629

C₃F₆

hexafluoropropene

c3f6

1630

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1631

C₈H₁₈O

1-Octanol

octanol

1632

C₁₀H₈

Azulene

azu

1633

C₁₀H₈

naphthalene

naph

1634

C₁₀H₁₀

bullvalene

bullv

1635

C₁₀H₁₆

adamantane

1636

C₆N₄

Tetracyanoethylene

tcne

1637

C₁₀H₂₂

Decane

decane

1638

C₄F₆

perfluorobutadiene

c4f6

1639

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1640

C₃F₈

perfluoropropane

c3f8

1641

Fe(CO)₅

Iron pentacarbonyl

ipc

1642

Fe(C₅H₅)₂

ferrocene

fecp2

1643

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1644

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1645

C₁₂H₈

Acenaphthylene

acenaph

1646

C₁₂H₈

biphenylene

biph

1647

C₁₂H₁₀

biphenyl

1648

C₁₂H₁₀

Heptalene

heptalene

1649

C₆H₁₂O₆

Inositol

inositol

1650

C₆F₆

hexafluorobenzene

c6f6

1651

S₂F₁₀

disulphur decafluoride

s2f10

1652

C₁₃H₁₀

Fluorene

fluorene

1653

C₁₄H₁₀

Anthracene

anth

1654

C₁₄H₁₀

Phenanthrene

phenanthrene

1655

C₁₄H₁₄

Bibenzyl

bibenzyl

1656

C₁₂H₁₀N₂

azobenzene

1657

C₆H₅COC₆H₅

benzophenone

1658

C₁₆H₁₀

Pyrene

pyrene

1659

C₁₈H₁₂

Tetracene

tetracene

1660

C₁₉H₁₆

Triphenylmethane

tpm

1661

C₂₄H₁₂

Coronene

coronene

1662

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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