III.F.1. (I.A.4.)

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

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	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
38	BH₂^-	boron dihydride anion	³B₁	C_2v
39	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
40	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
41	BH₃⁺	boron trihydride cation	²E^'	D_3h
42	BH₃⁺	boron trihydride cation	²B₂	C_2v
43	BH₃⁺	boron trihydride cation		C_2v
44	AlH₃^-	aluminum trihydride anion		C_3v
45	AlH₃⁺	aluminum trihydride cation	²E	D_3h
46	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
47	BH₄	borohydride	²B₂	C_2v
48	BH₄^-	borohydride anion	¹A₁	T_d
49	C	Carbon atom	³P₀	K_h
50	C^-	Carbon atom anion	²D	K_h
51	C⁺	Carbon atom cation	²P	K_h
52	Si	Silicon atom	³P	K_h
53	Si^-	Silicon atom anion	⁴S	K_h
54	Si⁺	Silicon atom cation	²P	K_h
55	Ge	Germanium atom	³P	K_h
56	Ge^-	Germanium anion	⁴S	K_h
57	Ge⁺	Germanium cation	²P	K_h
58	CH	Methylidyne	²Π_1/2	C_∞v
59	SiH	Silylidyne	²Π	C_∞v
60	SiH^-	silicon monohydride anion	³Σ	C_∞v
61	GeH	germylidene	²Π	C_∞v
62	CH₂	Methylene	³B₁	C_2v
63	CH₂	Methylene	³Σ_G	D_∞h
64	CH₂^-	methylene anion	²B₁	C_2v
65	CH₂⁺	methylene cation	²A₁	C_2v
66	CH₂⁺	methylene cation	²Π	D_∞h
67	SiH₂	silicon dihydride	³B₁	C_2v
68	SiH₂^-	silicon dihydride anion	²B₁	C_2v
69	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
70	GeH₂	germylene	¹A₁	C_2v
71	GeH₂^-	germylene anion	²B₁	C_2v
72	CH₃	Methyl radical	²A₁	D_3h
73	CH₃^-	methyl anion	¹A₁	C_3v
74	CH₃⁺	methyl cation	¹A₁^'	D_3h
75	SiH₃	Silyl radical	²A₁	C_3v
76	SiH₃^-	Silyl anion	¹A₁	C_3v
77	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
78	GeH₃	Germyl radical	²A₁	C_3v
79	GeH₃⁺	germyl cation	¹A₁^'	D_3h
80	N	Nitrogen atom	⁴S	K_h
81	N	Nitrogen atom	²D	K_h
82	N^-	Nitrogen atom anion	³S	K_h
83	N⁺	Nitrogen atom cation	³P	K_h
84	P	Phosphorus atom	⁴S	K_h
85	P^-	Phosphorus atom anion	³P	K_h
86	P⁺	Phosphorus atom cation	³P	K_h
87	V	Vanadium atom	⁴F	K_h
88	V⁺	Vanadium atom cation	⁵D	K_h
89	As	Arsenic atomic	⁴S	K_h
90	As^-	Arsenic anion	³P	K_h
91	As⁺	Arsenic cation	³P	K_h
92	PH	phosphorus monohydride	³Σ^-	C_∞v
93	AsH	Arsenic monohydride	³Σ	C_∞v
94	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
95	NH₂	Amino radical	²B₁	C_2v
96	NH₂⁺	Amino cation	³B₁	C_2v
97	PH₂^-	Phosphino anion	¹A₁	C_2v
98	PH₂⁺	Phosphino cation	¹A₁	C_2v
99	AsH₂	Arsenic dihydride	²A₁	C_2v
100	NH₃^-	Ammonia anion	²A₁	C_3v
101	NH₃⁺	ammonia cation	²A₂^"	D_3h
102	PH₃⁺	Phosphine cation	²A₁	C_3v
103	AsH₃⁺	Arsine cation	²A₁	C_3v
104	NH₄	Ammonium radical
105	PH₄	Phosphoranyl radical
106	O	Oxygen atom	³S	K_h
107	O^-	Oxygen atom anion	²P	K_h
108	O⁺	Oxygen atom cation	⁴S	K_h
109	S	Sulfur atom	³P	K_h
110	S^-	Sulfur atom anion	²P	K_h
111	S⁺	Sulfur atom cation	⁴S	K_h
112	Se	Selenium atom	³P	K_h
113	Se^-	Selenium atom anion	²P	K_h
114	Se⁺	Selenium atom cation	⁴S	K_h
115	OH	Hydroxyl radical	²Π	C_∞v
116	OH⁺	hydoxyl cation	³Σ	C_∞v
117	HS	Mercapto radical	²Π	C_∞v
118	HS^-	mercapto anion	¹Σ	C_∞v
119	HS⁺	sulfur monohydride cation	³Σ	C_∞v
120	CrH	Chromium hydride	⁶Σ	C_∞v
121	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
122	HSe	Selenium monohydride	²Π	C_∞v
123	HSe⁺	selenium monohydride cation	³Σ	C_∞v
124	H₂O^-	water anion	²A₁	C_2v
125	H₂O^-	water anion	²A^'	C_s
126	H₂O⁺	water cation	²B₁	C_2v
127	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
128	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
129	H₂Se	Hydrogen selenide	¹A₁	C_2v
130	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
131	H₃S⁺	Sulfonium cation	¹A₁	C_3v
132	F	Fluorine atom	²P	K_h
133	F^-	Fluorine atom anion	¹S	K_h
134	F⁺	Fluorine atom cation	³S	K_h
135	F⁺	Fluorine atom cation	¹D	K_h
136	Cl	Chlorine atom	²P	K_h
137	Cl^-	Chlorine atom anion	¹S	K_h
138	Cl⁺	Chlorine atom cation	³P	K_h
139	Cl⁺	Chlorine atom cation	¹D	K_h
140	Br	Bromine atom	²P	K_h
141	Br^-	Bromine atom anion	¹S	K_h
142	Br⁺	Bromine atom cation	³P	K_h
143	HF^-	hydrogen fluoride anion	²Σ	C_∞v
144	HF⁺	hydrogen fluoride cation	²Π	C_∞v
145	HCl^-	hydrogen chloride anion	²Σ	C_∞v
146	HCl⁺	hydrogen chloride cation	²Π	C_∞v
147	HBr	hydrogen bromide	¹Σ	C_∞v
148	HBr^-	hydrogen bromide anion	²Σ	C_∞v
149	HBr⁺	hydrogen bromide cation	²Π	C_∞v
150	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
151	Ne	Neon atom
152	Ne^-	Neon atom anion	²S	K_h
153	Ne⁺	Neon atom cation	²P	K_h
154	Ar^-	Argon atom anion	²S	K_h
155	Ar⁺	Argon atom cation	²P	K_h
156	Kr⁺	Krypton cation	²P	K_h
157	NeH	neon hydrogen	²Σ	C_∞v
158	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
159	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
160	LiBe	Lithium Beryllium	²Σ	C_∞v
161	LiMg	Lithium magnesium	²Σ	C_∞v
162	NaBe	Sodium Beryllium	²Σ	C_∞v
163	NaMg	Sodium Magnesium	²Σ	C_∞v
164	Be₂	Beryllium diatomic	³Π_g	D_∞h
165	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
166	LiB	Lithium boride	³Π	C_∞v
167	BeB	Beryllium monoboride	²Π	C_∞v
168	B₂	Boron diatomic	³Σ_g	D_∞h
169	B₂⁺	Boron diatomic cation	²Π	D_∞h
170	BAl	Boron Aluminum	³Σ	C_∞v
171	BGa	Boron Gallium	³Σ	C_∞v
172	AlGa	Aluminum Gallium	³Σ	C_∞v
173	Ga₂	Gallium diatomic	³P_iu
174	HBBH	Diborane(2)	³Σ_G	D_∞h
175	B₂H₆⁺	Diborane cation
176	LiC	Lithium Carbide	⁴Σ	C_∞v
177	BeC	Beryllium Carbide	³Σ^-	C_∞v
178	BeC	Beryllium Carbide
179	BC	boron monocarbide	⁴Σ^-	C_∞v
180	BC^-	boron monocarbide anion	³Π_u	C_∞v
181	AlC	Aluminum carbide	⁴Σ	C_∞v
182	BSi	Boron silicide	⁴Σ	C_∞v
183	BSi	Boron silicide	²Σ	C_∞v
184	C₂	Carbon diatomic	³Σ_g^-
185	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
186	SiC	silicon monocarbide	³Σ	C_∞v
187	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
188	SiC⁺	silicon monocarbide cation	²Π	C_∞v
189	GeC	Germanium monocarbide	¹Σ	C_∞v
190	SiGe	Silicon Germanium
191	Ge₂	Germanium diatomic	³Σ_g	D_∞h
192	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
193	C₂H	Ethynyl radical	²Σ	C_∞v
194	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
195	C₂H₂⁺	acetylene cation
196	CCH₂	vinylidene	³B₂	C_2v
197	H₂CC^-	vinylidene anion
198	HCCH^-	acetylene anion
199	HCCH^-	acetylene anion
200	CH₃Li	methyl lithium	¹A₁	C_3v
201	C₂H₃	vinyl	²A^'	C_s
202	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
203	C₂H₄^-	Ethylene anion	²B_2g	D_2h
204	C₂H₄^-	Ethylene anion	²A_g	C_2h
205	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
206	C₂H₄⁺	Ethylene cation	²B₃	D₂
207	C₂H₅	Ethyl radical	²A^'	C_s
208	C₂H₆⁺	ethane cation	²B_g	C_2h
209	C₂H₆⁺	ethane cation	²A_g	C_i
210	LiN	Lithium Nitride	³Σ	C_∞v
211	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
212	LiP	Lithium monophosphide
213	BeN	Beryllium mononitride	⁴Σ	C_∞v
214	BeN	Beryllium mononitride	²Π	C_∞v
215	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
216	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
217	MgN	Magnesium Nitride
218	MgN	Magnesium Nitride
219	BP	Boron monophosphide	³Π	C_∞v
220	AlP	Aluminum monophosphide	³Σ	C_∞v
221	AlP	Aluminum monophosphide	³Π	C_∞v
222	GaN	Gallium mononitride	³Π	C_∞v
223	GaP	Gallium monophosphide	³Σ	C_∞v
224	GaAs	Gallium arsenide	³Π
225	GaAs	Gallium arsenide	¹Σ
226	BN	boron nitride	³Π	C_∞v
227	CN	Cyano radical	²Σ	C_∞v
228	SiP	Silicon monophosphide	²Π	C_∞v
229	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
230	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
231	N₂	Nitrogen diatomic
232	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
233	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
234	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
235	HNC⁺	hydrogen isocyanide cation
236	HCP⁺	Phosphaethyne cation
237	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
238	CNH₂	Aminomethylidyne radical	²B₂	C_2v
239	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
240	HCNH	methyleneazane	²A^'	CS cis
241	HCNH	methyleneazane	²A^'	CS trans
242	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
243	CH₂NH⁺	Methanimine cation
244	CHNH₂⁺	Aminocarbene cation
245	N₂H₄⁺	hydrazine cation	²A_G	C_2h
246	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
247	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
248	LiO	lithium oxide	²Σ	C_∞v
249	LiO^-	lithium oxide anion	¹Σ	C_∞v
250	LiO^-	lithium oxide anion	³Σ	C_∞v
251	LiO⁺	lithium oxide cation	³Σ	C_∞v
252	LiS	Lithium monosulfide	²Π	C_∞v
253	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
254	NaO	sodium monoxide	²Σ	C_∞v
255	NaS	Sodium sulfide	²Π	C_∞v
256	LiSe	Lithium monoselenide
257	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
258	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
259	BO	boron monoxide	²Σ	C_∞v
260	BO^-	boron monoxide anion	¹Σ	C_∞v
261	ScO	Scandium monoxide	²Σ	C_∞v
262	GaO	Gallium monoxide	²Σ	C_∞v
263	GaS	Gallium monosulfide
264	CO	Carbon monoxide	³Π	C_∞v
265	CO^-	carbon monoxide anion	²Π	C_∞v
266	CO⁺	carbon monoxide cation	²Σ	C_∞v
267	TiO	Titanium monoxide	³Δ	C_∞v
268	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
269	SiSe⁺	Silicon Monoselenide cation
270	NO	Nitric oxide	²Π	C_∞v
271	NO^-	nitric oxide anion	³Σ	C_∞v
272	NS	Mononitrogen monosulfide	²Π	C_∞v
273	NS^-	nitrogen sulfide anion	³Σ	C_∞v
274	PO	Phosphorus monoxide	²Π	C_∞v
275	PS	phosphorus sulfide	²Σ	C_∞v
276	VO	Vanadium monoxide	⁴Σ^-
277	NSe	Nitrogen monoselenide	²Π	C_∞v
278	AsS	Arsenic monosulfide	²Π	C_∞v
279	PSe	Phosphorus monoselenide	²Π	C_∞v
280	AsSe	Arsenic monoselenide	²Π	C_∞v
281	O₂	Oxygen diatomic	³Σ_g	D_∞h
282	O₂^-	oxygen diatomic anion	²Π	D_∞h
283	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
284	SO	Sulfur monoxide	³Σ	C_∞v
285	SO	Sulfur monoxide	¹Σ	C_∞v
286	SO⁺	sulfur monoxide cation	²Π	C_∞v
287	S₂	Sulfur diatomic	³Σ_g	D_∞h
288	SeO	Selenium monoxide	³Σ	C_∞v
289	Se₂	Selenium diatomic	³Σ_g	D_∞h
290	BeOH	beryllium monohydroxide	²A^'	C_s
291	COH	Hydroxymethylidyne
292	HCO	Formyl radical	²A^'	C_s
293	HCO^-	formyl anion	¹A^'	C_s
294	HCO⁺	Formyl cation	¹Σ	C_∞v
295	HCS⁺	Thioformyl cation	¹Σ	C_∞v
296	HNO	Nitrosyl hydride	¹A^'	C_s
297	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
298	NOH	Hydroxyimidogen	³A^"	C_s
299	NOH⁺	O-protonated nitric oxide	²A^'	C_s
300	HNS^-	Sulfur imide anion	²A	C_s
301	HO₂	Hydroperoxy radical	²A^"	C_s
302	HO₂^-	Hydroperoxy anion	¹A^'	C_s
303	HO₂⁺	Hydroperoxy cation	³A^"	C_s
304	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
305	SOH	Sulfur Hydroxide
306	SOH⁺	Sulfur Monoxide, protonated
307	HS₂	Thiosulfeno radical	²A^"	C_s
308	H₂CO^-	formaldehyde anion	²A^'	C_s
309	H₂CO^-	formaldehyde anion
310	H₂CO⁺	formaldehyde cation	²B₂	C_2v
311	H₂CS^-	thioformaldehyde anion
312	H₂CS^-	thioformaldehyde anion
313	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
314	H₂NO	nitroxide	²B₁	C_2v
315	H₂NO	nitroxide	²A^'	C_s
316	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
317	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
318	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
319	CH₂OH	Hydroxymethyl radical	²A	C₁
320	CH₃O⁺	Methoxy cation	³A₁	C_3v
321	NH₂OH⁺	Hydroxylamine cation
322	CH₃OH	Methyl alcohol	¹A^'	C_s
323	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
324	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
325	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
326	CH₃SH⁺	Methanethiol cation	²A^"	C_s
327	NH₂OH₂⁺	protonated hydroxylamine
328	NH₃OH⁺	N-protonated hydroxylamine
329	NaF⁺	sodium fluoride cation	²Σ	C_∞v
330	LiF^-	lithium fluoride anion	²Σ	C_∞v
331	LiF⁺	lithium fluoride cation	²Π	C_∞v
332	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
333	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
334	ZnF	Zinc monofluoride	²Σ	C_∞v
335	GaF	Gallium monofluoride	¹Σ	C_∞v
336	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
337	GaCl	Gallium monochloride	¹Σ_G	C_∞v
338	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
339	CF	Fluoromethylidyne	²Π	C_∞v
340	SiF	silicon monofluoride	²Π	C_∞v
341	SiF^-	silicon monofluoride anion	³Σ	C_∞v
342	SiCl	Clorosilylidyne	²Π	C_∞v
343	CBr	Carbon monobromide	²Π	C_∞v
344	GeF	Germanium monofluoride	²Π	C_∞v
345	GeCl	Germanium monochloride	²Π	C_∞v
346	SiBr	Silicon monobromide	²Π	C_∞v
347	SiBr⁺	Silicon monobromide cation
348	NCl	nitrogen monochloride	³Σ	C_∞v
349	NCl^-	nitrogen monochloride anion	²Π	C_∞v
350	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
351	AsF	Arsenic monofluoride	³Σ	C_∞v
352	NBr	nitrogen monobromide	³Σ^-	C_∞v
353	AsCl	Arsenic monochloride	³Σ	C_∞v
354	PBr	Phosphorus monobromide
355	FO	Oxygen monofluoride	²Π	C_∞v
356	ClO	Monochlorine monoxide	²Π	C_∞v
357	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
358	SF	Monosulfur monofluoride	²Π	C_∞v
359	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
360	SCl	sulfur monochloride	²Π	C_∞v
361	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
362	BrO	Bromine monoxide	²Π	C_∞v
363	BrO⁺	Bromine monoxide cation
364	SeF	Selenium monofluoride	²Π	C_∞v
365	SBr	Sulfur monobromide radical
366	SBr⁺	Sulfur monobromide cation
367	SeCl	Selenium monochloride	²Π	C_∞v
368	SeBr	Selenium monobromide
369	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
370	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
371	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
372	ClF⁺	clorine monofluoride cation	²Π	C_∞v
373	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
374	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
375	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
376	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
377	HCF	Fluoromethylene	³A^"	C_s
378	HCCl	Chloromethylene	³A^"	C_s
379	CHBr	bromomethylene	³A^"	C_s
380	HOCl⁺	hypochlorous acid cation
381	HOBr⁺	Hypobromous acid cation	²A^"	C_s
382	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
383	CH₂Br	bromomethyl radical
384	CH₂F	fluoromethyl radical	²A	C_s
385	CH₂Cl	chloromethyl radical	²A^'	C_s
386	CH₂Cl	chloromethyl radical	²B₁	C_2v
387	CH₃F⁺	methyl fluoride cation
388	CH₃Cl⁺	Methyl chloride cation
389	CH₃Br	methyl bromide	¹A₁	C_3v
390	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
391	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
392	Li₃	Lithium trimer	²B₂	C_2v
393	C₃	carbon trimer	¹A₁	C_2v
394	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
395	C₃H₃^-	Propargyl anion	¹A^'	C_s
396	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
397	C₃H₅	Allyl radical	²A₂	C_2v
398	CH₃CHCH	1-propenyl radical	²A^'	C_s
399	C₃H₇	n-Propyl radical	²A^"	C₁
400	CH₃CHCH₃	Isopropyl radical	²A	C₂
401	LiCN	lithium cyanide	¹Σ	C*V LiCN
402	ZnCN	Zinc monocyanide	²Σ	C_∞v
403	ZnNC	Zinc isocyanide	²Σ	C_∞v
404	CNN	Diazocarbene
405	NCN	Cyanoimidogen	³Σ_g	D_∞h
406	N₃	azide radical	²Π_g	D_∞h
407	N₃⁺	azide cation	³Σ_g	D_∞h
408	N₃⁺	azide cation	³Σ	C_∞v
409	HCCN	cyanomethylene	³Σ	C_∞v
410	HCCN	cyanomethylene
411	HN₃	hydrogen azide	¹A^'	C_s
412	HN₃⁺	Hydrazoic acid cation
413	CH₃CN^-	acetonitrile anion	²E	C_3v
414	HCNCH₂⁺	2H-Azirine cation
415	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
416	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
417	LiO₂	Lithium dioxide
418	NaO₂	Sodium superoxide
419	CCO	Dicarbon monoxide	³Σ	C_∞v
420	NCO	isocyanato radical	²Π	C_∞v
421	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
422	N₂O^-	Nitrous oxide anion	²A^'	C_s
423	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
424	CO₂^-	Carbon dioxide anion	²A₁	C_2v
425	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
426	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
427	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
428	CS₂^-	Carbon disulfide anion	²A₁	C_2v
429	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
430	NO₂	Nitrogen dioxide	²A₁	C_2v
431	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
432	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
433	NSO	sulfinyl amidogen
434	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
435	SNO	Nitrogen oxide sulfide
436	O₃^-	Ozone anion	²B₁	C_2v
437	O₃⁺	Ozone cation	²A₁	C_2v
438	SO₂	Sulfur dioxide	¹A₁	C_2v
439	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
440	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
441	S₃⁺	Sulfur trimer cation	²B₂	C_2v
442	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
443	HCCO	ketenyl radical	²Π	C_∞v
444	HCCO	ketenyl radical	²A^"	C_s
445	HCOO	formate neutral radical	²A^'	C_s
446	HOCO	Hydrocarboxyl radical	¹A^'	cis
447	HOCO	Hydrocarboxyl radical	¹A^'	trans
448	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
449	HNO₂⁺	nitrous acid cation	²A^'	C_s
450	CH₂CO⁺	Ketene cation	²B₁	C_2v
451	CH₂CHO	Vinyloxy radical	²A^"	C_s
452	C₂H₄O⁺	ethylene oxide cation
453	CH₃CHO⁺	acetaldehyde cation
454	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
455	CH₃CH₂O	Ethoxy radical	²A^'	C_s
456	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
457	CH₃CH₂SH	ethanethiol	¹A^'	C_s
458	CH₃SCH₃⁺	dimethyl sulfide cation
459	FCO	Carbonyl fluoride	²A^'	C_s
460	ClCO	carbonyl monochloride	²A^'	C_s
461	BF₂	Boron difluoride radical	²A₁	C_2v
462	BrNO	Nitrosyl bromide	¹A^'	C_s
463	CF₂^-	Difluoromethylene anion	²B₁	C_2v
464	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
465	SiF₂	Silicon difluoride	¹A₁	C_2v
466	SiF₂	Silicon difluoride	³B₁	C_2v
467	CCl₂^-	dichloromethylene anion	²B₁	C_2v
468	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
469	FOO⁺	Fluorine dioxide cation
470	ClOO⁺	chloroperoxy cation	¹A^'	C_s
471	OClO	Chlorine dioxide	²B₁	D_∞h
472	OClO^-	Chlorine dioxide anion	¹A^'	C_s
473	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
474	ClSO	Sulfur chloride oxide	²A^"	C_s
475	BrOO	Bromine dioxide
476	OBrO	Bromine dioxide radical	²B₁	C_2v
477	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
478	PF₂	Phosphorus difluoride
479	SF₂^-	sulfur difluoride anion	²Π	D_∞h
480	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
481	BrOCl	Bromine hypochlorite	¹A^'	C_s
482	BrOBr	Bromine oxide	¹A₁	C_2v
483	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
484	HFCO⁺	formyl fluoride cation	²A^'	C_s
485	COHCl	Formyl chloride	¹A^'	C_s
486	COHBr	Formyl bromide	¹A^'	C_s
487	CHF₂	difluoromethyl radical	²A	C_s
488	CHFCl	Chlorofluoromethyl radical
489	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
490	C₄	Carbon tetramer	³Σ_g	D_∞h
491	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
492	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
493	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
494	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
495	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
496	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
497	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
498	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
499	C₂H₂O₂	Ethanedial	¹A_g	C_2h
500	CH₃COCH₂	Acetonyl radical	²A^"	C_s
501	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
502	BrONO	Bromine nitrite	¹A^'	CS trans
503	CF₂O⁺	Carbonic difluoride cation
504	COFCl	Carbonic chloride fluoride	¹A^'	C_s
505	COBr₂	Carbonic dibromide	¹A₁	C_2v
506	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
507	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
508	BF₃⁺	boron trifluoride cation
509	BCl₃⁺	Boron Trichloride cation
510	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
511	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
512	CF₂Cl	difluorochloromethyl radical
513	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
514	CFCl₂	dichlorofluoromethyl radical
515	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
516	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
517	NF₃	Nitrogen trifluoride	¹A₁	C_3v
518	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
519	NF₃^-	Nitrogen trifluoride anion	²A	C_s
520	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
521	SF₃	Sulfur trifluoride	²A^'	C_s
522	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
523	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
524	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
525	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
526	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
527	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
528	SF₅	Sulfur pentafluoride	²A₁	C_4v
529	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
530	C₆H₁₂O₂	Methyl pivalate	¹A	C₁

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	ScH⁺	Scandium monohydride cation	sch+
57	GaH	Gallium monohydride	gah
58	BH₂	boron dihydride	bh2
59	BH₂⁺	Boron dihydride cation	bh2+
60	AlH₂	aluminum dihydride	alh2
61	BH₃	boron trihydride	bh3
62	BH₃^-	boron trihydride anion	bh3-
63	AlH₃	aluminum trihydride	alh3
64	ScH₃	Scandium trihydride	sch3
65	GaH₃	Gallium trihydride	gah3
66	AlH₄^-	Aluminum tetrahydride anion	alh4-
67	C^-	Carbon atom anion	c-
68	Ti	Titanium atom	ti
69	Ti^-	Titanium atom anion	ti-
70	Ti⁺	Titanium atom cation	ti+
71	Sn	Tin atom	sn
72	Sn⁺	Tin cation	sn+
73	CH^-	methylidyne anion	ch-
74	CH⁺	Methylidyne cation	ch+
75	SiH⁺	silicon monohydride cation	sih+
76	GeH⁺	Germaniun monohyrdide cation	geh+
77	SiH₂	silicon dihydride	sih2
78	CD₄	methane-d4	cd4
79	CH₂D₂	methane-d2	ch2d2
80	CH₃D	methane-d	ch3d
81	CH₄	Methane	ch4
82	CH₄^-	Methane anion	ch4-
83	CH₄⁺	Methane cation	ch4+
84	CHD₃	methane-d3	chd3
85	SiH₂D₂	silane-d2	sih2d2
86	SiH₄	Silane	sih4
87	SiH₄⁺	Silane cation	sih4+
88	GeH₄	Germane	geh4
89	SnH₄	Stannane	snh4
90	SiH₅⁺	Silane, protonated	sih5+
91	Sb	Antimony atom	sb
92	NH	Imidogen	nh
93	NH^-	Imidogen anion	nh-
94	NH⁺	imidogen cation	nh+
95	PH^-	phosphorus monohydride anion	ph-
96	PH⁺	phosphorus monohydride cation	ph+
97	SbH	Antimony monohydride	sbh
98	ND₂	Amidogen-d2	nd2
99	NH₂^-	amino anion	nh2-
100	PH₂	Phosphino radical	ph2
101	AsH₂⁺	Arsenic dihydride cation	ash2+
102	ND₃	Ammonia-d3	nd3
103	NH₃	Ammonia	nh3
104	PH₃	Phosphine	ph3
105	AsH₃	Arsine	ash3
106	SbH₃	Stibine	sbh3
107	AsH₄⁺	Arsonium	ash4+
108	NH₄⁺	ammonium cation	nh4+
109	PH₄⁺	phosphonium cation	ph4+
110	Cr	Chromium atom	cr
111	Te	Tellurium atom	te
112	Te⁺	Tellurium atom cation	te+
113	DO	Hydroxyl-d	od
114	OH^-	hydroxide anion	oh-
115	DS	Mercapto-d	ds
116	HSe^-	selenium monohydride anion	hse-
117	TeH	Telluryl radical	teh
118	D₂O	Deuterium oxide	d2o
119	H₂O	Water	h2o
120	HDO	Water-d1	hdo
121	D₂S	Hydrogen sulfide-d2	d2s
122	H₂S	Hydrogen sulfide	h2s
123	H₂Te	Hydrogen Telluride	h2te
124	H₃O⁺	hydronium cation	h3o+
125	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
126	Mn	Manganese atom	mn
127	I	Iodine atom	iodine
128	I^-	Iodine atom anion	iodine-
129	I⁺	Iodine atom cation	iodine+
130	DF	Hydrofluoric acid-d	df
131	HF	Hydrogen fluoride	hf
132	DCl	Hydrochloric acid-d	dcl
133	HCl	Hydrogen chloride	hcl
134	HI	Hydrogen iodide	hi
135	HI⁺	Hydrogen iodide cation	hi+
136	H₂F⁺	dihydrogen fluoride cation	h2f+
137	H₂Br⁺	protonated hydrogen bromide	h2br+
138	H₂I⁺	Iodonium	h2i+
139	Ne	Neon atom	ne
140	Ar	Argon atom	ar
141	Fe	Iron atom	fe
142	Kr	Krypton atom	kr
143	Xe	Xenon atom	xe
144	HeLi⁺	Helium Lithium cation	heli+
145	NeH⁺	neon hydrogen cation	neh+
146	ArH⁺	Argon hydride cation	arh+
147	KrH⁺	Protonated Krypton	krh+
148	XeH⁺	Xenon, protonated	xeh+
149	H₂Ar	H2 Ar dimer	h2ar
150	Co	Cobalt atom	cobalt
151	Ni	Nickel atom	ni
152	Li₂	Lithium diatomic	li2
153	Li₂^-	lithium diatomic anion	li2-
154	Li₂⁺	lithium diatomic cation	li2+
155	NaLi	lithium sodium	lina
156	NaLi^-	lithium sodium anion	lina-
157	NaLi⁺	lithium sodium cation	lina+
158	LiK	Lithium Potassium	lik
159	Na₂	Sodium diatomic	na2
160	NaK	Sodium Potassium	nak
161	NaK⁺	Sodium Potassium diatomic cation	nak+
162	K₂	Potassium diatomic	k2
163	Cu₂	Copper diatomic	cu2
164	Be₂	Beryllium diatomic	be2
165	Be₂⁺	Beryllium diatomic cation	be2+
166	BeMg	Beryllium Magnesium	bemg
167	Mg₂	Magnesium diatomic	mg2
168	Mg₂^-	magnesium diatomic anion	mg2-
169	Mg₂⁺	magnesium diatomic cation	mg2+
170	Ca₂	Calcium diatomic	ca2
171	LiAl	Lithium Aluminum	lial
172	NaAl	Sodium aluminum	naal
173	B₂^-	Boron diatomic anion	b2-
174	Al₂	Aluminum diatomic	al2
175	Al₂^-	aluminum diatomic anion	al2-
176	Al₂⁺	aluminum diatomic cation	al2+
177	LiBH₄	Lithium borohydride	libh4
178	B₂H₄	Diborane(4) D2d	b2h4
179	HBHHBH	Diborane(4) C2V	hbhhbh
180	B₂H₆	Diborane	b2h6
181	Al₂H₆	dialane	al2h6
182	Ga₂H₆	digallane	ga2h6
183	CaC	Calcium monocarbide	cac
184	BC⁺	boron monocarbide cation	bc+
185	C₂	Carbon diatomic	c2
186	C₂^-	carbon diatomic anion	c2-
187	Si₂	Silicon diatomic	si2
188	Si₂^-	silcon diatomic anion	si2-
189	Si₂⁺	silcon diatomic cation	si2+
190	C₂H^-	Ethynyl anion	c2h-
191	C₂H⁺	Ethynyl cation	c2h+
192	ZnCH₂	Zinc methylene	znch2
193	C₂H₂	Acetylene	c2h2
194	CCH₂	vinylidene	vinylidene
195	Si₂H₂	disilyne	si2h2
196	CuCH₃	monomethyl copper	cuch3
197	ZnCH₃	Zinc monomethyl	znch3
198	CH₂BH	methyleneborane	ch2bh
199	C₂H₃^-	vinyl anion	c2h3-
200	C₂H₄	Ethylene	c2h4
201	CH₃CH	methylmethylene	ch3ch
202	CH₂SiH₂	silaethylene	ch2sih2
203	Si₂H₄	Disilene	si2h4
204	CH₃BH₂	methylborane	ch3bh2
205	C₂H₅^-	Ethyl anion	c2h5-
206	C₂H₅⁺	Ethyl cation	c2h5+
207	C₂H₆	Ethane	c2h6
208	CH₃SiH₃	methyl silane	ch3sih3
209	Si₂H₆	disilane	si2h6
210	GeH₃CH₃	methyl germane	geh3ch3
211	C₂H₇⁺	Ethane, protonated	c2h7+
212	BeN⁺	Beryllium mononitride cation	ben+
213	BN^-	boron nitride anion	bn-
214	AlN^-	aluminum mononitride anion	aln-
215	AlN⁺	aluminum mononitride cation	aln+
216	BN⁺	boron nitride cation	bn+
217	AlN	Aluminum nitride	aln
218	CN^-	cyanide anion	cn-
219	CN⁺	Cyano cation	cn+
220	CP	Carbon monophosphide	cp
221	CP^-	carbon monophosphide anion	cp-
222	CP⁺	carbon monophosphide cation	cp+
223	SiN	Silicon nitride	sin
224	SiN^-	silicon mononitride anion	sin-
225	SiN⁺	silicon mononitride cation	sin+
226	TiN	Titanium mononitride	tin
227	N₂	Nitrogen diatomic	n2
228	PN	Phosphorus mononitride	pn
229	PN^-	phosphorus nitride anion	pn-
230	PN⁺	phosphorus nitride cation	pn+
231	P₂	Phosphorus diatomic	p2
232	P₂^-	phosphorus diatomic anion	p2-
233	P₂⁺	phosphorus diatomic cation	p2+
234	AsN	Arsenic mononitride	asn
235	AsP	Arsenic monophosphide	asp
236	SbN	Antimony nitride	sbn
237	As₂	Arsenic diatomic	as2
238	HNB	hydrogen nitrogen boron	hnb
239	HNC	hydrogen isocyanide	hnc
240	HCN	Hydrogen cyanide	hcn
241	HCN^-	Hydrogen cyanide anion	hcn-
242	HCP	Phosphaethyne	hcp
243	NNH	Dinitrogen monohydride	nnh
244	NNH⁺	Dinitrogen monohydride cation	nnh+
245	HPO	Hydrogen phosphorus oxide	hpo
246	LiNH₂	lithium amide	linh2
247	HBNH	Boranimine	hbnh
248	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
249	H₂CN⁺	hydrocyanonium cation	h2cn+
250	HCNH⁺	N-protonated HCN	hcnh+
251	H₂NN	Isodiazene	h2nn
252	N₂H₂	(E)-diazene	n2h2
253	N₂H₂	(Z)-Diazene	n2h2z
254	CH₂NH	Methanimine	ch3n
255	CHNH₂	aminomethylene	chnh2
256	CH₂PH	Phosphaethene	ch3p
257	BH₂NH₂	Boranamine	bh2nh2
258	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
259	N₂H₄	Hydrazine	n2h4
260	P₂H₄	Diphosphine	p2h4
261	CH₃NH₂	methyl amine	ch3nh2
262	CH₃PH₂	Methyl phosphine	ch3ph2
263	SiH₃NH₂	Silane, amino	sih3nh2
264	N₂H₅⁺	protonated hydrazine	n2h5+
265	BH₃PH₃	borane phosphine	bh3ph3
266	BH₃NH₃	borane ammonia	bh3nh3
267	CH₃NH₃⁺	protonated methylamine	ch3nh3+
268	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
269	NH₃NH₃	Ammonia Dimer	nh3nh3
270	N₂H₇⁺	ammonia ammonium dimer	n2h7+
271	NaO^-	sodium oxide anion	nao-
272	NaO⁺	sodium oxide cation	nao+
273	KO	Potassium monoxide	ko
274	KO⁺	Potassium monoxide cation	ko+
275	CuO	Copper Monoxide	cuo
276	BeO	beryllium oxide	beo
277	BeS	beryllium sulfide	bes
278	MgO	magnesium oxide	mgo
279	MgO^-	magnesium oxide anion	mgo-
280	MgO⁺	magnesium oxide cation	mgo+
281	CaO	Calcium monoxide	cao
282	MgS	magnesium sulfide	mgs
283	MgS^-	magnesium sulfide anion	mgs-
284	MgS⁺	magnesium sulfide cation	mgs+
285	CaS	Calcium sulfide	cas
286	ZnO	zinc monoxide	zno
287	ZnS	Zinc sulfide	zns
288	BeS^-	Beryllium monosulfide anion	bes-
289	BeS⁺	Beryllium monosulfide cation	bes+
290	AlO	Aluminum monoxide	alo
291	AlO^-	Aluminum monoxide anion	alo-
292	AlO⁺	aluminum monoxide cation	alo+
293	BS	boron sulfide	bs
294	BS^-	boron monosulfide anion	bs-
295	BS⁺	boron monosulfide cation	bs+
296	AlS	Aluminum sulfide	als
297	AlS^-	aluminum monosulfide anion	als-
298	AlS⁺	aluminum monosulfide cation	als+
299	BO⁺	boron monoxide cation	bo+
300	CO	Carbon monoxide	co
301	CS	carbon monosulfide	cs
302	CS^-	carbon monosulfide anion	cs-
303	CS⁺	carbon monosulfide cation	cs+
304	SiO	Silicon monoxide	sio
305	SiO^-	silicon monoxide anion	sio-
306	SiO⁺	silicon monoxide cation	sio+
307	SiS	silicon monosulfide	sis
308	SiS^-	silicon monosulfide anion	sis-
309	SiS⁺	silicon monosulfide cation	sis+
310	CSe	Carbon monoselenide	cse
311	CSe^-	Carbon monoselenide anion	cse-
312	CSe⁺	Carbon monoselenide cation	cse+
313	GeO	Germanium monoxide	geo
314	GeS	Germanium monosulfide	ges
315	SiSe	Silicon Monoselenide	sise
316	GeSe	Germanium monoselenide	gese
317	NO⁺	nitric oxide cation	no+
318	NS⁺	nitrogen sulfide cation	ns+
319	PO^-	phosphorus monoxide anion	po-
320	PO⁺	phosphorus monoxide cation	po+
321	PS^-	phosphorus monosulfide anion	ps-
322	PS⁺	phosphorus monosulfide cation	ps+
323	AsO	Arsenic monoxide	aso
324	O₂^--	dioxygen dianion	o2--
325	SO^-	sulfur monoxide anion	so-
326	S₂^-	sulfur diatomic anion	s2-
327	S₂⁺	sulfur diatomic cation	s2+
328	SeO^-	selenium monoxide anion	seo-
329	SeO⁺	selenium monoxide cation	seo+
330	SeS	Selenium monosulfide	ses
331	SeS^-	selenium monosulfide anion	ses-
332	SeS⁺	selenium monosulfide cation	ses+
333	TeO	Tellurium monoxide	teo
334	Se₂^-	selenium diatomic anion	se2-
335	Se₂⁺	selenium diatomic cation	se2+
336	Te₂	Tellurium diatomic	te2
337	LiOH	lithium hydroxide	lioh
338	NaOH	sodium hydroxide	naoh
339	KOH	Potassium hydroxide	koh
340	MgOH	magnesium hydroxide	mgoh
341	CaOH	Calcium monohydroxide	caoh
342	HBO	Boron hydride oxide	hbo
343	HBS	hydrogen boron sulfide	hbs
344	COH⁺	Carbon Monoxide, protonated	coh+
345	HCS	Thioformyl radical	hcs
346	HCS^-	Thioformyl anion	hcs-
347	HNO^-	Nitrosyl hydride anion	hno-
348	HNS	Sulfur imide	hns
349	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
350	H₂CO	Formaldehyde	h2co
351	HOCH	hydroxycarbene	hoch
352	H₂CS	Thioformaldehyde	h2cs
353	H₂CSe	Selenoformaldehyde	h2cse
354	H₂O₂	Hydrogen peroxide	h2o2
355	H₂OO	water oxide	h2oo
356	HOSH	hydrogen thioperoxide	hosh
357	H₂S₂	Disulfane	h2s2
358	H₂Se₂	hydrogen diselenide	h2se2
359	CH₂OH⁺	hydroxymethyl cation	ch2oh+
360	CH₃O	Methoxy radical	ch3o
361	CH₃O^-	methoxy anion	ch3o-
362	CH₃S	thiomethoxy	ch3s
363	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
364	NH₂OH	hydroxylamine	nh2oh
365	NH₃O	Ammonia Oxide	nh3o
366	H₂POH	Phosphinous acid	h2poh
367	H₃PO	Phosphine oxide	h3po
368	NH₂SH	Thiohydroxylamine	nh2sh
369	NH₃S	sulfidoazane	nh3s
370	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
371	CH₃SH	Methanethiol	ch3sh
372	SiH₃OH	silanol	sih3oh
373	CH₃SeH	Methane selenol	ch3seh
374	H₂OH₂O	water dimer	h2oh2o
375	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
376	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
377	H₂ONH₃	Water Ammonia Dimer	h2onh3
378	H₅O₂⁺	Dihydroxonium ion	h5o2+
379	LiF	lithium fluoride	lif
380	LiCl	lithium chloride	licl
381	LiCl^-	lithium chloride anion	licl-
382	LiCl⁺	lithium chloride cation	licl+
383	NaF	sodium fluoride	naf
384	NaF^-	sodium fluoride anion	naf-
385	KF	Potassium Fluoride	kf
386	NaCl	Sodium Chloride	nacl
387	NaCl^-	sodium chloride anion	nacl-
388	NaCl⁺	sodium chloride cation	nacl+
389	KCl	Potassium Chloride	kcl
390	CuF	Copper monofluoride	cuf
391	LiBr	Lithium Bromide	libr
392	LiBr^-	lithium bromide anion	libr-
393	LiBr⁺	lithium bromide cation	libr+
394	CuCl	Copper monochloride	cucl
395	NaBr	Sodium Bromide	nabr
396	NaBr^-	sodium bromide anion	nabr-
397	NaBr⁺	sodium bromide cation	nabr+
398	KBr	Potassium Bromide	kbr
399	LiI	Lithium Iodide	lii
400	NaI	Sodium Iodide	nai
401	KI	Potassium Iodide	ki
402	BeF	Beryllium monofluoride	bef
403	BeCl	beryllium monochloride	becl
404	MgF	Magnesium monofluoride	mgf
405	MgF^-	magnesium fluoride anion	mgf-
406	MgF⁺	magnesium fluoride cation	mgf+
407	CaF	Calcium monofluoride	caf
408	MgCl	magnesium monochloride	mgcl
409	MgCl^-	magnesium monochloride anion	mgcl-
410	MgCl⁺	magnesium monochloride cation	mgcl+
411	CaCl	calcium monochloride	cacl
412	TiCl	Titanium Monochloride	ticl
413	ZnF^-	Zinc monofluoride anion	znf-
414	ZnF⁺	Zinc monofluoride cation	znf+
415	ZnCl	Zinc monochloride	zncl
416	CaBr	Calcium monobromide	cabr
417	BeCl^-	beryllium monochloride anion	becl-
418	BeCl⁺	beryllium monochloride cation	becl+
419	BF	Boron monofluoride	bf
420	BF^-	Boron monofluoride anion	bf-
421	BF⁺	Boron monofluoride cation	bf+
422	AlF	Aluminum monofluoride	alf
423	AlF^-	Aluminum monofluoride anion	alf-
424	AlF⁺	Aluminum monofluoride cation	alf+
425	BCl	boron monochloride	bcl
426	BCl^-	boron monochloride anion	bcl-
427	BCl⁺	boron monochloride cation	bcl+
428	AlCl	Aluminum monochloride	alcl
429	AlCl^-	aluminum monochloride anion	alcl-
430	AlCl⁺	aluminum monochloride cation	alcl+
431	ScF	Scandium monofluoride	scf
432	BBr	Boron monobromide	bbr
433	AlBr	Aluminum monobromide	albr
434	AlI	Aluminum monoiodide	ali
435	GaBr	Gallium monobromide	gabr
436	CF^-	carbon monofluoride anion	cf-
437	CF⁺	carbon monofluoride cation	cf+
438	CCl	carbon monochloride	ccl
439	CCl^-	carbon monochloride anion	ccl-
440	CCl⁺	carbon monochloride cation	ccl+
441	SiF⁺	silicon monofluoride cation	sif+
442	SiCl^-	silicon monochloride anion	sicl-
443	SiCl⁺	silicon monochloride cation	sicl+
444	GeF⁺	Germanium monofluoride cation	gef+
445	GeCl⁺	Germanium monochloride cation	gecl+
446	NF	nitrogen fluoride	nf
447	NF^-	nitrogen monofluorine anion	nf-
448	NF⁺	nitrogen monofluoirde cation	nf+
449	PF	phosphorus monofluoride	pf
450	PF^-	phosphorus monofluoride anion	pf-
451	PF⁺	phosphorus monofluoride cation	pf+
452	PCl	phosphorus chloride	pcl
453	PCl^-	phosphorus monochloride anion	pcl-
454	PCl⁺	phosphorus monochloride cation	pcl+
455	SbF	Antimony monofluoride	sbf
456	SbCl	Antimony monochloride	sbcl
457	FO^-	flourine oxide anion	fo-
458	FO⁺	fluorine monoxide cation	fo+
459	ClO^-	chlorine monoxide anion	clo-
460	SF^-	sulfur monofluoride anion	sf-
461	SCl^-	sulfur monochloride anion	scl-
462	BrO^-	Bromine monoxide anion	bro-
463	IO	Iodine monoxide	io
464	BrCl	Bromine monochloride	brcl
465	F₂	Fluorine diatomic	f2
466	ClF^-	clorine monofluoride anion	clf-
467	Cl₂	Chlorine diatomic	cl2
468	BrF	Bromine monofluoride	brf
469	BrF^-	bromine fluoride anion	brf-
470	BrF⁺	bromine fluoride cation	brf+
471	BrCl^-	bromine chloride anion	brcl-
472	BrCl⁺	bromine chloride cation	brcl+
473	IF	Iodine monofluoride	if
474	Br₂	Bromine diatomic	br2
475	ICl	Iodine monochloride	icl
476	IBr	Iodine monobromide	ibr
477	I₂	Iodine diatomic	i2
478	I₂⁺	Iodine diatomic cation	i2+
479	HCF	Fluoromethylene	hcf
480	HCCl	Chloromethylene	hccl
481	HSiF	fluorosilylene	hsif
482	HSiCl	Chlorosilylene	hsicl
483	HSiBr	monobromosilylene	hsibr
484	CHBr	bromomethylene	chbr
485	HOF	Hypofluorous acid	hfo
486	DOCl	Hypochlorous acid-d	docl
487	HOCl	hypochlorous acid	hocl
488	HOBr	Hypobromous acid	hobr
489	HOI	Hypoiodous acid	hoi
490	F₂H⁺	Fluorine, protonated	f2h+
491	FHF	Hydrogen difluoride	fhf
492	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
493	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
494	Cl₂H⁺	Chlorine, protonated	cl2h+
495	CH₂F⁺	fluoromethyl cation	ch2f+
496	CH₂Cl⁺	chloromethyl cation	ch2cl+
497	NH₂F	monofluoroamine	nh2f
498	NH₂Cl	chloramine	nh2cl
499	H₂F₂	Hydrogen fluoride dimer	h2f2
500	CD₃F	methylfluoride-d3	cd3f
501	CH₃F	Methyl fluoride	ch3f
502	CD₃Cl	methyl chloride d3	cd3cl
503	CH₃Cl	Methyl chloride	ch3cl
504	SiH₃F	monofluorosilane	sih3f
505	SiH₃Cl	chlorosilane	sih3cl
506	GeH₃F	monofluorogermane	geh3f
507	GeH₃Cl	monochlorogermane	geh3cl
508	SiH₃Br	bromosilane	sih3br
509	CH₃I	methyl iodide	ch3i
510	SiH₃I	Silyl Iodide	sih3i
511	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
512	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
513	NH₄Cl	Ammonium chloride	nh4cl
514	LiNe⁺	Lithium Neon cation	line+
515	Ne₂	Neon diatomic	ne2
516	Ar₂	Argon diatomic	ar2
517	Li₃⁺	Lithium trimer cation	li3+
518	SiC₂	Silicon dicarbide	sic2
519	C₃H₃	cyclopropenyl radical	cpr
520	C₃H₃	Propargyl radical	propargyl
521	C₃H₃⁺	cyclopropenyl cation	cpr+
522	C₃H₄	cyclopropene	cprop
523	CH₂CCH₂	allene	allene
524	CH₃CCH	propyne	propyne
525	C₃H₅⁺	Allyl cation	allyl+
526	Zn(CH₃)₂	dimethyl zinc	dmz
527	C₃H₆	Cyclopropane	c3h6
528	CH₂CHCH₃	Propene	propene
529	C₃H₇⁺	cyclopropane, protonated	c3h7+
530	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
531	C₃H₈	Propane	propane
532	SiH₂(CH₃)₂	dimethylsilane	dms
533	Si₃H₈	trisilane	si3h8
534	NaCN	Sodium Cyanide	nacn
535	KCN	Potassium cyanide	kcn
536	CuCN	Copper cyanide	cucn
537	AlCN	Aluminum monocyanide	alcn
538	AlNC	Aluminum isocyanide	alnc
539	CN₂	3H-Diazirin-3-ylidene	cn2
540	N₃^-	azide anion	n3-
541	HCNN	diazomethyl radical	hcnn
542	HNCNH	diiminomethane	hncnh
543	CH₂N₂	diazirine	ch2n2
544	CH₂NN	diazomethane	ch2nn
545	NH₂CN	cyanamide	cyanamide
546	HNNNH⁺	1,2-Triazadienium	n2h3+
547	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
548	CH₃CN	Acetonitrile	ch3cn
549	CH₃CN⁺	Acetonitrile cation	ch3cn+
550	CH₃NC	methyl isocyanide	ch3nc
551	CHNCH₂	2H-Azirine	c157164
552	CHNHCH	1H-Azirine	chnhch
553	H₂CCNH	Ethenimine	ch2cnh
554	H₂CNCH	methyleneaminomethylene	ch2nch
555	HCCNH₂	Ethynamine	hccnh2
556	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
557	NCNH₃⁺	Cyanamide, protonated	ncnh3+
558	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
559	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
560	CH₂CHNH	vinylazine	ch2chnh
561	NHCHNH₂	aminomethanimine	cn2h4
562	C₂H₅N	Aziridine	c2h5n
563	CH₂CHNH₂	aminoethene	aminoethene
564	CH₂NCH₃	N-methylmethanimine	nmm
565	CH₃CHNH	ethanimine	ethanimine
566	NH₂BHNH₂	diaminoborane	nh2bhnh2
567	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
568	C₂H₆N⁺	aziridine, protonated	c2h6n+
569	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
570	CH₃CH₂NH₂	Ethylamine	etam
571	CH₃NHCH₃	Dimethylamine	ch3nhch3
572	CH₃PHCH₃	dimethylphosphine	ch3phch3
573	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
574	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
575	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
576	Li₂O	dilithium oxide	li2o
577	Li₂S	dilithium sulfide	li2s
578	Na₂O	disodium monoxide	na2o
579	Na₂S	Sodium sulfide	na2s
580	CNO^-	fulminate	cno-
581	NCO^-	cyanate	nco-
582	SCN	thiocyanato radical	scn
583	SCN^-	thiocyanide anion	scn-
584	BO₂	Boron dioxide	bo2
585	BO₂^-	Boron dioxide anion	bo2-
586	N₂O	Nitrous oxide	n2o
587	NNS	Nitrogen sulfide	nns
588	PPO	Phosphorus oxide phosphide	ppo
589	CO₂	Carbon dioxide	co2
590	OCS	Carbonyl sulfide	cos
591	SiO₂	silicon dioxide	sio2
592	CS₂	Carbon disulfide	cs2
593	TiO₂	Titanium dioxide	tio2
594	SiS₂	Silicon disulfide	sis2
595	GeO₂	Germanium dioxide	geo2
596	OCSe	Carbonyl selenide	ocse
597	SCSe	Carbon sulfide selenide	scse
598	GeS₂	Germanium disulfide	ges2
599	CSe₂	Carbon diselenide	cse2
600	SCTe	Carbon sulfide Telluride	scte
601	PO₂	Phosphorus dioxide	po2
602	PO₂^-	Phosphorus dioxide anion	po2-
603	AsO₂	Aresenic dioxide	aso2
604	O₃	Ozone	o3
605	SSO	Disulfur monoxide	sso
606	S₃	Sulfur trimer	s3
607	S₃^-	Sulfur trimer anion	s3-
608	SeO₂	Selenium dioxide	seo2
609	TeO₂	Tellurium Dioxide	teo2
610	CS₂H⁺	Carbon disulfide, protonated	cs2h+
611	HCNO	fulminic acid	hcno
612	HNCO	Isocyanic acid	hnco
613	HOCN	cyanic acid	hocn
614	HNCS	Isothiocyanic acid	hncs
615	HSCN	thiocyanic acid	hscn
616	HCO₂^-	formate anion	hco2-
617	HNNO	nitrosoazane	hnno
618	HNNO⁺	Nitrous oxide, N-protonated	hnno+
619	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
620	HNO₂	Nitrous acid	hno2
621	O₃H⁺	protonated ozone	o3h+
622	SO₂H⁺	protonated sulfur dioxide	so2h+
623	C₂H₂O	Oxirene	oxirene
624	CH₂CO	Ketene	ch2co
625	HCCOH	ethynol	hccoh
626	CH₂CS	Thioketene	ch2cs
627	Be(OH)₂	Beryllium hydroxide	beo2h2
628	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
629	NH₂NO	Nitrosamide	nh2no
630	CH₂O₂	Dioxirane	diox
631	H₂COO	Dioxymethyl radical	h2coo
632	H₂COO⁺	dioxymethyl cation	h2coo+
633	HCOOH	Formic acid	ch2o2
634	H₂O₃	Hydrogen trioxide	h2o3
635	HSSSH	trisulfane	hsssh
636	NaOCH₃	Sodium methoxide	naoch3
637	CH₂BOH	hydroxy(methylene)borane	ch2boh
638	BH₃CO	Borane carbonyl	bh3co
639	CH₃BO	Borane, methyloxo-	ch3bo
640	CH₂COH⁺	ketene, protonated	ch2coh+
641	CH₃CO	Acetyl radical	ch3co
642	CH₃CO^-	Acetyl anion	ch3co-
643	CH₃CO⁺	acetyl cation	ch3co+
644	CH₂NOH	formaldoxime	ch2noh
645	CH₃NO	nitrosomethane	ch3no
646	CHONH₂	formamide	formamide
647	CNOH₃	1,2-oxaziridine	cnoh3
648	HOCHNH	hydroxymethylimine	hochnh
649	CHSNH₂	thioformamide	chsnh2
650	NHCHSH	Methanimidothioic acid	nhchsh
651	CH₂OOH	CH2OOH radical	ch2ooh
652	CH₃OO	methylperoxy radical	ch3oo
653	CH₃OO^-	methylperoxy anion	ch3oo-
654	CH₃OO⁺	methylperoxy cation	ch3oo+
655	C₂H₄O	Ethylene oxide	c2h4o
656	CH₂CHOH	ethenol	ch2choh
657	CH₃CHO	Acetaldehyde	ch3cho
658	C₂H₄S	Thiirane	thiirane
659	CH₂CHSH	Ethenethiol	ch2chsh
660	CH₃CHS	Thioacetaldehyde	ch3chs
661	H₂CONH₂⁺	protonated formamide	h2conh2+
662	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
663	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
664	CH₂(OH)₂	methanediol	ch2o2h2
665	CH₃OOH	Methyl peroxide	ch3ooh
666	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
667	HSCH₂SH	Methanedithiol	ch4s2
668	H₂OH₂CO	water formaldehyde dimer	h2oh2co
669	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
670	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
671	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
672	CH₃OCH₂	methoxymethyl radical	ch3och2
673	NH₂CH₂OH	aminomethanol	nh2ch2oh
674	CH₃CH₂OH	Ethanol	etoh
675	CH₃OCH₃	Dimethyl ether	meome
676	CH₃SCH₃	Dimethyl sulfide	mesme
677	CH₃SeCH₃	dimethylselenide	dmse
678	CH₃OHH₂O	methanol water dimer	ch3ohh2o
679	H₂OCH₃OH	water methanol dimer	h2och3oh
680	CuF₂	Copper difluoride	cuf2
681	ZnF₂	Zinc difluoride	znf2
682	CNF	iso cyanogen fluoride	cnf
683	FCN	Cyanogen fluoride	fcn
684	ClCN	chlorocyanogen	clcn
685	BrCN	Cyanogen bromide	brcn
686	ICN	Cyanogen iodide	icn
687	FBO	Boron monofluoride monoxide	fbo
688	BeF₂	Beryllium fluoride	bef2
689	MgF₂	Magnesium fluoride	mgf2
690	BeCl₂	Beryllium chloride	becl2
691	MgCl₂	Magnesium dichloride	mgcl2
692	CaCl₂	Calcium Chloride	cacl2
693	ZnCl₂	Zinc dichloride	zncl2
694	BeBr₂	Beryllium bromide	bebr2
695	CaBr₂	Calcium dibromide	cabr2
696	CaF₂	Calcium difluoride	caf2
697	FCO⁺	Carbonyl fluoride cation	fco+
698	FNO	Nitrosyl fluoride	fno
699	ClNO	Nitrosyl chloride	clno
700	FNS	Thionitrosyl fluoride	fns
701	FSN	Thiazyl fluoride	fsn
702	OPCl	Phosphorus oxychloride	opcl
703	INO	Nitrosyl iodide	ino
704	CF₂	Difluoromethylene	cf2
705	CFCl	chlorofluoromethylene	cfcl
706	SiF₂⁺	Silicon difluoride cation	sif2+
707	CCl₂	dichloromethylene	ccl2
708	SiCl₂	Dichlorosilylene	sicl2
709	GeF₂	Germanium difluoride	gef2
710	GeCl₂	Germanium dichloride	gecl2
711	CBr₂	dibromomethylene	cbr2
712	FOO	Dioxygen monofluoride radical	foo
713	ClOO	chloroperoxy radical	cloo
714	ClS₂	Sulfur chloride	cls2
715	NF₂	Difluoroamino radical	nf2
716	PF₂⁺	Phosphorus difluoride cation	pf2+
717	FClO	chlorosyl fluoride	fclo
718	F₂O	Difluorine monoxide	f2o
719	ClOF	Chlorine hypofluorite	clof
720	SF₂	sulfur difluoride	sf2
721	Cl₂O	Dichlorine monoxide	cl2o
722	SCl₂	Sulfur dichloride	scl2
723	SeF₂	Selenium difluoride	sef2
724	SeCl₂	Selenium Dichloride	secl2
725	SBr₂	Sulfur dibromide	sbr2
726	SeBr₂	Selenium dibromide	sebr2
727	F₃^-	trifluoride anion	f3-
728	Cl₃^-	trichloride anion	cl3-
729	Br₃^-	tribromide anion	br3-
730	I₃^-	triiodide	i3-
731	SFCl	Sulfur chloride fluoride	sfcl
732	HCCF	Fluoroacetylene	hccf
733	HCCCl	Chloroacetylene	hcccl
734	HCCBr	bromoacetylene	hccbr
735	HFCO	formyl fluoride	hfco
736	BHF₂	Difluoroborane	bhf2
737	BHCl₂	Borane, dichloro-	bhcl2
738	CHCl₂	dichloromethyl radical	chcl2
739	CHF₂⁺	difluoromethyl cation	chf2+
740	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
741	CHCl₂⁺	dichloromethyl cation	chcl2+
742	CHBr₂	dibromomethyl radical	chbr2
743	HOClO	Chlorous acid	hoclo
744	NHF₂	difluoramine	nhf2
745	NHCl₂	dichloroamine	nhcl2
746	CH₂F₂	Methane, difluoro-	ch2f2
747	CH₂FCl	fluorochloromethane	ch2fcl
748	SiH₂F₂	difluorosilane	sih2f2
749	CH₂Cl₂	Methylene chloride	ch2cl2
750	CH₂BrF	Methane, bromofluoro-	ch2fbr
751	CH₂BrCl	Methane, bromochloro-	ch2clbr
752	CH₂FI	fluoroiodomethane	ch2fi
753	CH₂Br₂	dibromomethane	ch2br2
754	CH₂ClI	chloroiodomethane	ch2cli
755	CH₂BrI	bromoiodomethane	ch2bri
756	CH₂I₂	Diiodomethane	ch2i2
757	SiH₂Cl₂	dichlorosilane	sih2cl2
758	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
759	CH₂CHF⁺	fluoroethene cation	ch2chf+
760	C₂H₃Cl	Ethene, chloro-	ch2chcl
761	C₂H₃Br	vinyl bromide	c2h3br
762	C₂H₃I	Vinyl iodide	c2h3i
763	CH₂FOH	fluoromethanol	ch2foh
764	CH₃OCl	methyl hypochlorite	ch3ocl
765	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
766	CHClCH₃	1-chloroethyl radical	chclch3
767	C₂H₅F	fluoroethane	c2h5f
768	CH₃CH₂Cl	Ethyl chloride	c2h5cl
769	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
770	C₂H₅Br	Ethyl bromide	etbr
771	C₂H₅I	Ethyl iodide	c2h5i
772	KrF₂	Krypton difluoride	krf2
773	XeF₂	Xenon difluoride	xef2
774	B₄H₁₀	Tetraborane(10)	b4h10
775	C₄⁺	Carbon tetramer cation	c4+
776	C₄H₂	Diacetylene	c4h2
777	C₂H₃CCH	1-Buten-3-yne	c2h3cch
778	C₄H₄	cyclobutadiene	cbd
779	C₄H₄	Tetrahedrane	c4h4
780	H₂CCCCH₂	Butatriene	h2cccch2
781	C₄H₆	1-Methylcyclopropene	c3100047
782	C₄H₆	Cyclobutene	c822355
783	C₄H₆	Methylenecyclopropane	c6142730
784	CH₂CCHCH₃	1,2-Butadiene	butad12
785	CH₂CHCHCH₂	1,3-Butadiene	c106990
786	CH₃CCCH₃	2-Butyne	c503173
787	CHCCH₂CH₃	1-Butyne	c107006
788	CH₃CHCHCH₂	methylallyl radical	c4h7
789	C₄H₈	methylcyclopropane	mcp
790	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
791	CH₂CHCH₂CH₃	1-Butene	bute1
792	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
793	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
794	B(CH₃)₃	trimethylborane	bme3
795	Al(CH₃)₃	trimethyl aluminum	tma
796	C(CH₃)₃	Tert-butyl radical	tbutyl
797	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
798	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
799	CH₃CH(CH₃)CH₃	Isobutane	isobutane
800	CH₃CH₂CH₂CH₃	Butane	butane
801	SiH(CH₃)₃	trimethylsilane	trimsi
802	Li₃N	trilithium nitride	li3n
803	C₂N₂	Cyanogen	c2n2
804	P₄	Phosphorus tetramer	p4
805	As₄	Arsenic tetramer	as4
806	HCCCN	Cyanoacetylene	hcccn
807	H₂CNCN	cyanamide, methylene	ch2ncn
808	HNCCNH	Ethenediimine	hnccnh
809	C₃H₃N	acrylonitrile	ch2chcn
810	CH₃N₃	methyl azide	ch3n3
811	NH₂CCNH₂	Diaminoacetylene	daa
812	NH₂CH₂CN	Aminoacetonitrile	aan
813	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
814	C₂H₅CN	ethyl cyanide	c2h5cn
815	CH₅N₃	Guanidine	guanidine
816	C₄H₆	Bicyclo[1.1.0]butane	c157335
817	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
818	H₂NCHCHNH₂	diaminoethylene	dae
819	CH₆N₃⁺	guanidinium	ch6n3+
820	C₃H₇N	Cyclopropylamine	cpram
821	CH₇N₃	triaminomethane	tam
822	C₃H₇N	Azetidine	azet
823	C₄H₈	cyclobutane	cbutane
824	C₂H₈N₂	Ethylenediamine	ethdiam
825	CH₃NHNHCH₃	dimethyl hydrazine	dmh
826	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
827	N(CH₃)₃	Trimethylamine	trimeam
828	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
829	P(CH₃)₃	trimethylphosphine	tmp
830	N(SiH₃)₃	trisilylamine	tsa
831	As(CH₃)₃	trimethyl arsine	tmas
832	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
833	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
834	Li₂O₂	dilithium dioxide	li2o2
835	Na₂O₂	disodium dioxide	na2o2
836	K₂O₂	dipotassium dioxide	k2o2
837	C₃O	Tricarbon monoxide	c3o
838	B₂O₂	Diboron dioxide	b2o2
839	ONNO	NO dimer	onno
840	S₂N₂	Disulfur dinitride	s2n2
841	CO₃	Carbon trioxide	co3
842	CO₃^--	carbonate	co3--
843	CS₃^--	Carbonotrithioate	cs3--
844	NO₃	Nitrogen trioxide	no3
845	NO₃^-	nitrate anion	no3-
846	SO₃	Sulfur trioxide	so3
847	SO₃^--	Sulfate dianion	so3--
848	SeO₃	selenium trioxide	seo3
849	S₄	Sulfur tetramer	s4
850	TeO₃	Tellurium trioxide	teo3
851	HCO₃^-	bicarbonate anion	hco3-
852	HNO₃	Nitric acid	hno3
853	HSO₃	Hydroxysulfonyl radical	hso3
854	NH₂NO₂	nitramide	nh2no2
855	C₂H₂CO	cyclopropenone	c2h2co
856	C₃H₂O	Propadienal	c3h2o
857	HCCCHO	2-propynal	hcccho
858	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
859	H₂CO₃	Carbonic acid	h2co3
860	H₂CS₃	thiocarbonic acid	h2cs3
861	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
862	H₂SO₃	Sulfurous acid	h2so3
863	C₂H₃NO	Nitrosoethylene	c2h3no
864	CH₃NCO	methylisocyante	ch3nco
865	HOCH₂CN	cyanomethanol	hoch2cn
866	CH₃COO^-	acetate anion	ch3coo-
867	CH₃NO₂	Methane, nitro-	ch3no2
868	CH₃ONO	Methyl nitrite	ch3ono
869	NH₂COOH	Carbamic acid	nh2cooh
870	H₃BO₃	Boric acid	h3bo3
871	H₃AlO₃	Aluminum hydroxide	h3alo3
872	H₃CO₃⁺	carbonic acid, protonated	h3co3+
873	C₃H₄O	2-Propyn-1-ol	c107197
874	C₃H₄O	allenol	c9000071
875	C₃H₄O	Cyclopropanone	cpone
876	C₃H₄O	Methylketene	c6004440
877	CH₂CHCHO	Acrolein	c3h4o
878	NH₂CONH₂	Urea	urea
879	NH₂CONH₂⁺	Urea cation	urea+
880	NH₂CSNH₂	Thiourea	thiourea
881	C₂H₄O₂	1,3-dioxetane	c2h4o2
882	CH₃COOH	Acetic acid	ch3cooh
883	CH₃OCHO	methyl formate	ch3ocho
884	CHOCH₂OH	hydroxy acetaldehyde	haa
885	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
886	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
887	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
888	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
889	HCOOHH₂O	Formic acid water dimer	hcoohh2o
890	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
891	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
892	CH₃C(OH)=NH	Ethaninidic acid	eia
893	CH₃CHNOH	Acetaldoxime	acetaldoxime
894	CH₃CONH₂	Acetamide	acetamide
895	HCONHCH₃	N-methylformamide	nmfa
896	CH₃CSNH₂	Ethanethioamide	ch3csnh2
897	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
898	H₂NCOHNH₂⁺	urea, protonated	ureah+
899	C₂H₅OO	ethylperoxy radical	c2h5oo
900	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
901	C₃H₅OH	Cyclopropanol	cproh
902	C₃H₆O	2-Propen-1-ol	c107186
903	C₃H₆O	Acetone enol	enol
904	C₃H₆O	Oxetane	oxetane
905	C₃H₆O	Propylene oxide	prox
906	CH₃CH₂CHO	Propanal	propanal
907	CH₃COCH₃	Acetone	acetone
908	CH₃COCH₃^-	acetone anion	ch3coch3-
909	C₃H₆S	Thietane	thietane
910	C₃H₆S	Thiirane, methyl-	methiirane
911	CH₃CSCH₃	Thioacetone	ch3csch3
912	C₂H₆O₂	1,2-Ethanediol	ethdiol
913	CH₃OOCH₃	dimethylperoxide	dmp
914	CH₃SOCH₃	Dimethyl sulfoxide	dmso
915	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
916	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
917	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
918	HOCH₂CH₂NH₂	monoethanolamine	mea
919	C₃H₇OH	1-Propanol	proh
920	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
921	CH₃OC₂H₅	Ethane, methoxy-	etome
922	C₃H₇SH	1-Propanethiol	prsh
923	CH₃CHSHCH₃	2-Propanethiol	isoprsh
924	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
925	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
926	Li₂F₂	Lithium fluoride dimer	li2f2
927	Na₂F₂	Sodium Fluoride Dimer	na2f2
928	Na₂Cl₂	Disodium dichloride	na2cl2
929	C₂F₂	difluoroacetylene	c2f2
930	C₂Cl₂	dichloroacetylene	c2cl2
931	FNO₂	Nitryl fluoride	fno2
932	FONO	Nitrosyl hypofluorite	fono
933	ClNO₂	Nitryl chloride	clno2
934	ClONO	chlorine nitrite	clono
935	N₂F₂	(Z)-Difluorodiazene	n2f2_z
936	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
937	CF₂O	Carbonic difluoride	f2co
938	CCl₂O	Phosgene	cl2co
939	Cl₂CS	Thiophosgene	cl2cs
940	BF₃	Borane, trifluoro-	bf3
941	AlF₃	Aluminum trifluoride	alf3
942	BClF₂	Chlorodifluoroborane	bclf2
943	AlF₂Cl	Aluminum chloride difluoride	alclf2
944	ScF₃	Scandium trifluoride	ScF3
945	AlFCl₂	Aluminum dichloride fluoride	alcl2f
946	BCl₃	Borane, trichloro-	bcl3
947	GaF₃	Gallium trifluoride	gaf3
948	AlCl₃	Aluminum trichloride	alcl3
949	GaCl₃	Gallium trichloride	gacl3
950	BBr₃	Boron tribromide	bbr3
951	AlBr₃	Aluminum Bromide	albr3
952	ClO₃	Chlorine trioxide	clo3
953	ClO₃^-	chlorate anion	clo3-
954	BrO₃^-	Bromate anion	bro3-
955	CF₃	Trifluoromethyl radical	cf3
956	SiF₃	Silicon trifluoride radical	sif3
957	CCl₃	Trichloromethyl radical	ccl3
958	SiCl₃	trichlorosilyl radical	sicl3
959	SiCl₃⁺	trichlorosilyl cation	sicl3+
960	CBr₃	tribromomethyl radical	cbr3
961	FOOF	Perfluoroperoxide	foof
962	ClO₂F	Chloryl fluoride	clo2f
963	F₂SO	Thionyl Fluoride	f2so
964	ClOOCl	Dichlorine dioxide	cloocl
965	FSSF	Difluorodisulfane	fssf
966	S₂F₂	Thio-thionyl fluoride	s2f2
967	SOCl₂	thionyl chloride	socl2
968	SSCl₂	Thiothionyl chloride	sscl2
969	SeOCl₂	selenium oxychloride	seocl2
970	PF₃	Phosphorus trifluoride	pf3
971	NCl₃	nitrogen trichloride	ncl3
972	AsF₃	Arsenic trifluoride	asf3
973	PCl₃	Phosphorus trichloride	pcl3
974	SbF₃	Antimony Trifluoride	sbf3
975	AsCl₃	Arsenous trichloride	ascl3
976	SbCl₃	Antimony Trichloride	sbcl3
977	NBr₃	Nitrogen Tribromide	nbr3
978	PBr₃	Phosphorus tribromide	pbr3
979	AsBr₃	Arsenic tribromide	asbr3
980	NI₃	Nitrogen triiodide	ni3
981	PI₃	Phosphorus triiodide	pi3
982	ClSSCl	Disulfur dichloride	s2cl2
983	ClF₃	Chlorine trifluoride	clf3
984	BrF₃	Bromine trifluoride	brf3
985	IF₃	iodone trifluoride	if3
986	HClO₃	Chloric Acid	hclo3
987	CHF₃	Methane, trifluoro-	chf3
988	CHF₂Cl	difluorochloromethane	chf2cl
989	SiHF₃	trifluorosilane	sihf3
990	CHFCl₂	fluorodichloromethane	chfcl2
991	CDCl₃	trichloromethane-d	cdcl3
992	CHCl₃	Chloroform	chcl3
993	SiHCl₃	Trichlorosilane	sihcl3
994	CHFClBr	fluorochlorobromomethane	chfclbr
995	CHF₂I	difluoroiodomethane	chf2i
996	CHBr₂F	dibromofluoromethane	chbr2f
997	CHFClI	fluorochloroiodomethane	chfcli
998	CHCl₂I	dichloroiodomethane	chcl2i
999	CHBr₃	bromoform	chbr3
1000	CHI₃	Iodoform	chi3
1001	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1002	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1003	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1004	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1005	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1006	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1007	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1008	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1009	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1010	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1011	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1012	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1013	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1014	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1015	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1016	CH₃COF	Acetyl fluoride	ch3cof
1017	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1018	CH₃COCl	Acetyl Chloride	ch3cocl
1019	C₂H₄F₂	1,2-difluoroethane	c2h4f2
1020	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1021	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1022	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1023	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1024	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1025	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1026	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1027	CH₂CFCH₃	2-fluoropropene	2fpro
1028	CH₂CHCH₂F	Allyl Fluoride	allylf
1029	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1030	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1031	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1032	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1033	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1034	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1035	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1036	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1037	CH₃CHFCH₃	2-Fluoropropane	prf2
1038	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1039	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1040	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1041	CH₃CHBrCH₃	i-propyl bromide	iprbr
1042	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1043	B₅H₉	pentaborane9	b5h9
1044	C₅H₄	pentatetraene	ptrene
1045	C₅H₅	cyclopentadienyl radical	c5h5
1046	C₅H₅^-	cylopentadienyl anion	c5h5-
1047	C₅H₆	1,3-Cyclopentadiene	c542927
1048	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1049	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1050	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1051	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1052	C₅H₆	Cyclopropylacetylene	c6746947
1053	C₅H₆	Propellane	propellane
1054	C₅H₇	1,3-pentadienyl radical	pdyl
1055	C₅H₇	cyclopentenyl radical	cpyl
1056	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1057	C₅H₈	1,2-Pentadiene	c591957
1058	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1059	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1060	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1061	C₅H₈	1,4-Pentadiene	c591935
1062	C₅H₈	1-pentyne	a1pentyne
1063	C₅H₈	2,3-Pentadiene	c591968
1064	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1065	C₅H₈	Cyclobutane, methylene-	c1120565
1066	C₅H₈	Cyclopentene	c142290
1067	C₅H₈	Ethenylcyclopropane	c693867
1068	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1069	C₅H₁₀	1-Butene, 2-methyl-	c563462
1070	C₅H₁₀	2-Butene, 2-methyl-	c513359
1071	C₅H₁₀	2-Pentene, (E)-	c646048
1072	C₅H₁₀	2-Pentene, (Z)-	c627203
1073	C₅H₁₀	Cyclopentane	c287923
1074	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1075	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1076	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1077	C₅H₁₂	Butane, 2-methyl-	buta2
1078	C₅H₁₂	Pentane	pentane
1079	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1080	Si(CH₃)₄	tetramethylsilane	tms
1081	N₂O₃	Dinitrogen trioxide	n2o3
1082	C₃H₂N₂	Malononitrile	c3h2n2
1083	CH₂N₄	1H-Tetrazole	1htz
1084	C₃H₃N₂	imidazolyl radical	im
1085	C₃H₃N₂^-	imidizolyl anion	im-
1086	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1087	C₄H₄N	pyrrolide radical	c4h4n
1088	C₄H₄N^-	pyrrolide anion	c4h4n-
1089	C₃H₄N₂	1H-Imidazole	1himidaz
1090	C₃H₄N₂	1H-Pyrazole	1hpyraz
1091	C₃H₄N₂	2H-Imidazole	imid2h
1092	C₃H₄N₂	4H-Imidazole	imid4h
1093	C₄H₅N	(E)-2-Butenenitrile	c627269
1094	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1095	C₄H₅N	2H-pyrrole	pyrrole2
1096	C₄H₅N	3H-pyrrole	pyrrole3
1097	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1098	C₄H₅N	Pyrrole	pyrrole
1099	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1100	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1101	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1102	C₄H₆N⁺	pyrrole, protonated	ppyr
1103	C₃H₆N₂	3-Aminopropionitrile	c151188
1104	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1105	CH₃CH₂CH₂CN	Butanenitrile	c109740
1106	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1107	C₅H₈	Spiropentane	c157404
1108	C₄H₉N	Cyclobutylamine	cbam
1109	C₄H₉N	Pyrrolidine	pyrrolidine
1110	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1111	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1112	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1113	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1114	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1115	NH(C₂H₅)₂	diethylamine	dea
1116	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1117	C₃O₂	Carbon suboxide	c3o2
1118	B₂O₃	diboron trioxide	b2o3
1119	MgCO₃	Magnesium Carbonate	mgco3
1120	BeCO₃	Beryllium Carbonate	beco3
1121	CaCO₃	Calcium Carbonate	caco3
1122	ONONO	Nitrosyl nitrite	onono
1123	PO₄^---	phosphate	po4---
1124	SO₄^--	sulfate	so4--
1125	HOONO₂	peroxy nitric acid	hoono2
1126	HSO₄^-	bisulfate anion	hso4-
1127	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1128	C₃H₂O₂	Propiolic acid	c3h2o2
1129	CHOCOOH	oxo acetic acid	oaa
1130	CHOOCHO	diformyl ether	choocho
1131	H₂SO₄	Sulfuric acid	h2so4
1132	H₂SeO₄	Selenic acid	h2seo4
1133	C₃H₃NO	Isoxazole	isox
1134	C₃H₃NO	Oxazole	oxazole
1135	C₃H₃NS	Thiazole	thiazole
1136	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1137	CH₃NO₃	Methyl nitrate	ch3no3
1138	H₃PO₄	Phosphoric Acid	h3po4
1139	C₄H₄O	Furan	furan
1140	C₄H₄O⁺	Furan cation	furan+
1141	CH₃COCCH	3-butyn-2-one	c1423605
1142	C₄H₄S	Thiophene	furans
1143	C₄H₄Se	selenophene	c4h4se
1144	C₃H₄O₂	β–Propiolactone	beta
1145	C₃H₄O₂	2-Propenoic acid	propenoic2
1146	C₃H₄O₂	Methyl glyoxal	megly
1147	C₃H₄O₂	propanedial	propanedial
1148	C₃H₄O₂	propenalol	propenalol
1149	HOCHCCHOH	allenediol	aldiol
1150	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1151	C₂H₄O₃	trioxolane124	triox
1152	HOCH₂COOH	Hydroxyacetic acid	hac
1153	CH₂CHCONH₂	Acrylamide	c79061
1154	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1155	CH₅N₃S	Hydrazinecarbothioamide	c79196
1156	H₂NCH₂COOH	Glycine	glycine
1157	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1158	C₄H₆O	cis-2-butenal	butenal2c
1159	C₄H₆O	Cyclobutanone	cbutone
1160	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1161	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1162	CH₂CHOCHCH₂	Vinyl ether	vinylether
1163	CHOCHCHCH₃	2-Butenal	butenal2
1164	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1165	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1166	CH₂CHSCHCH₂	Divinyl sulfide	divis
1167	C₂H₆N₂O	Urea, methyl-	c598505
1168	C₃H₆O₂	1,3-Dioxolane	dioxolane
1169	CH₃CH₂COOH	Propanoic Acid	propanoic
1170	CH₃COOCH₃	methyl acetate	aame
1171	HCOOC₂H₅	Ethyl formate	faee
1172	C₂H₆O₂S	Dimethyl sulfone	c67710
1173	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1174	C₃H₇NO	dimethylformamide	dmf
1175	C₃H₇NO	Propanamide	propanam
1176	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1177	C₄H₈O	Cyclobutanol	c2919235
1178	C₄H₈O	Furan, tetrahydro-	thf
1179	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1180	CH₃COCH₂CH₃	2-Butanone	buta2one
1181	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1182	CHOCH₂CH₂CH₃	Butanal	butanal
1183	C₄H₈S	Thiophene, tetrahydro-	tht
1184	C₃H₈O₂	1,3-Propanediol	c504632
1185	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1186	C₃H₈O₂	Methane, dimethoxy-	c109875
1187	C₃H₈O₂	Propylene glycol	c57556
1188	C₃H₈S₂	1,3-Propanedithiol	c109808
1189	C₄H₁₀O	1-Butanol	butanol1
1190	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1191	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1192	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1193	C₄H₁₀O	Ethoxy ethane	etoet
1194	C₄H₁₀O	Methyl propyl ether	meopr
1195	C₄H₁₀O	Propane, 2-methoxy-	c598538
1196	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1197	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1198	C₂H₅SC₂H₅	Diethyl sulfide	etset
1199	C₄H₉SH	1-Butanethiol	bush
1200	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1201	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1202	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1203	FNO₃	Fluorine nitrate	fno3
1204	ClONO₂	Chlorine nitrate	clono2
1205	BrONO₂	Bromine nitrate	brono2
1206	TiCl₄	Titanium tetrachloride	ticl4
1207	ClO₄^-	perchlorate anion	clo4-
1208	BF₄^-	tetrafluoroboron anion	bf4-
1209	ClFO₃	Perchloryl fluoride	clfo3
1210	SO₂F₂	Sulfuryl fluoride	so2f2
1211	SO₂Cl₂	Sulfuryl chloride	so2cl2
1212	F₃NO	Nitrogen trifluoride oxide	f3no
1213	F₃PO	Phosphoryl fluoride	pf3o
1214	Cl₃PO	Phosphoryl chloride	pcl3o
1215	CF₄	Carbon tetrafluoride	cf4
1216	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1217	SiF₄	Silicon tetrafluoride	sif4
1218	CF₂Cl₂	difluorodichloromethane	cf2cl2
1219	TiF₄	Titanium tetrafluoride	tif4
1220	CFCl₃	Trichloromonofluoromethane	cfcl3
1221	CF₃Br	Bromotrifluoromethane	cf3br
1222	GeF₄	Germanium tetrafluoride	gef4
1223	CCl₄	Carbon tetrachloride	ccl4
1224	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1225	SiCl₄	Silane, tetrachloro-	sicl4
1226	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1227	CF₃I	trifluoroiodomethane	cf3i
1228	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1229	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1230	GeCl₄	Germanium Tetrachloride	gecl4
1231	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1232	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1233	CCl₃I	trichloroiodomethane	ccl3i
1234	CFBr₃	fluorotribromomethane	cfbr3
1235	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1236	CBr₃Cl	tribromochloromethane	cbr3cl
1237	CF₂I₂	difluorodiiodomethane	cf2i2
1238	CBr₄	Carbon tetrabromide	cbr4
1239	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1240	SiBr₄	Silicon tetrabromide	sibr4
1241	CBr₃I	tribromoiododmethane	cbr3i
1242	GeBr₄	Germanium tetrabromide	gebr4
1243	CI₄	tetraiodomethane	ci4
1244	SiI₄	silicon tetraiodide	sii4
1245	ClOF₃	Chlorine trifluoride oxide	clof3
1246	SF₄	Sulfur tetrafluoride	sf4
1247	SeF₄	Selenium tetrafluoride	sef4
1248	SCl₄	Sulfur tetrachloride	scl4
1249	C₂HF₃	Trifluoroethylene	c2hf3
1250	CHClCCl₂	Trichloroethylene	chclccl2
1251	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1252	HClO₄	perchloric acid	hclo4
1253	HSO₃F	Fluorosulfonic acid	hso3f
1254	CF₃OH	trifluoromethanol	cf3oh
1255	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1256	CHClCCHCl	1,3-dichloroallene	chclcchcl
1257	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1258	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1259	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1260	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1261	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1262	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1263	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1264	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1265	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1266	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1267	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1268	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1269	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1270	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1271	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1272	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1273	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1274	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1275	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1276	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1277	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1278	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1279	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1280	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1281	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1282	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1283	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1284	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1285	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1286	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1287	C₄H₉F	1-fluorobutane	butaf1
1288	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1289	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1290	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1291	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1292	XeF₄	Xenon tetrafluoride	xef4
1293	C₂H₂N₂O	Furazan	furazan
1294	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1295	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1296	C₆H₂	hexatriyne	c6h2
1297	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1298	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1299	C₆H₄	Benzyne	benzyne
1300	C₆H₅	phenyl	phenyl
1301	C₆H₅^-	phenyl anion	phenyl-
1302	C₆H₆	Prismane	prismane
1303	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1304	C₆H₆	2,4-Hexadiyne	hexadiyne
1305	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1306	C₆H₆	Benzene	benzene
1307	C₆H₆	Benzvalene	bv
1308	C₆H₆	Dewar Benzene	dewar
1309	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1310	C₆H₆	Trimethylenecycopropane	tmcp
1311	C₆H₆⁺	Benzene cation	c6h6+
1312	C₆H₇⁺	benzene, protonated	c6h7+
1313	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1314	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1315	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1316	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1317	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1318	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1319	C₆H₈	3-Methylenecyclopentene	c930267
1320	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1321	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1322	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1323	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1324	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1325	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1326	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1327	C₆H₁₀	1,5-Hexadiene	c592427
1328	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1329	C₆H₁₀	1-Hexyne	hexyne1
1330	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1331	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1332	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1333	C₆H₁₀	2-Hexyne	c764352
1334	C₆H₁₀	3-Hexyne	hexyne3
1335	C₆H₁₀	cyclohexene	cyclohexene
1336	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1337	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1338	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1339	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1340	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1341	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1342	C₆H₁₂	(E)-2-Hexene	e2hexene
1343	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1344	C₆H₁₂	(E)-hex-3-ene	e3hexene
1345	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1346	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1347	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1348	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1349	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1350	C₆H₁₂	3-methylenepentane	c760214
1351	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1352	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1353	C₆H₁₂	Cyclohexane	cyclohexane
1354	C₆H₁₂	Cyclopentane, methyl-	c96377
1355	C₆H₁₂	Ethylcyclobutane	c4806615
1356	C₆H₁₂	hex-1-ene	hexene1
1357	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1358	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1359	C₆H₁₄	Hexane	hexane
1360	C₆H₁₄	Pentane, 2-methyl-	penta2
1361	C₆H₁₄	Pentane, 3-methyl-	penta3
1362	C₄N₂	2-Butynedinitrile	c4n2
1363	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1364	C₄H₂N₂	Fumaronitrile	c4h2n2
1365	C₂H₂N₄	sym-tetrazine	ttz
1366	C₃H₃N₃	1,3,5-Triazine	triazine135
1367	CH₃N₅	5-Aminotetrazole	c4418615
1368	C₄H₄N₂	1,3-Diazine	diazine13
1369	C₄H₄N₂	Pyrazine	pyrazine
1370	C₄H₄N₂	Pyridazine	pyridazine
1371	C₄H₄N₂	Succinonitrile	c110612
1372	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1373	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1374	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1375	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1376	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1377	C₅H₅N	Pyridine	pyridine
1378	B₃N₃H₆	borazine	borazine
1379	C₆H₆	Fulvene	fulvene
1380	C₅H₆N⁺	Pyridinium	c5h6n
1381	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1382	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1383	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1384	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1385	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1386	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1387	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1388	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1389	C₅H₉N	Pentanenitrile	c110598
1390	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1391	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1392	C₅H₁₁N	Cyclopentanamine	cypentam
1393	C₅H₁₁N	Piperidine	piper
1394	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1395	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1396	Li₂CO₃	Lithium Carbonate	li2co3
1397	Na₂CO₃	Sodium Carbonate	na2co3
1398	C₂O₄^--	oxalate anion	c2o4
1399	MgSO₄	Magnesium Sulfate	mgso4
1400	N₂O₄	Dinitrogen tetroxide	n2o4
1401	C₃H₂O₃	vinylene carbonate	vica
1402	C₂H₂O₄	Oxalic Acid	oxalic
1403	C₂H₃NO₃	Oxamic acid	oxamic
1404	C₄H₄O₂	2(5H)-Furanone	furanone
1405	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1406	C₂H₄N₂O₂	Oxalamide	oxalamide
1407	C₂H₄N₂S₂	Ethanedithioamide	c79403
1408	C₂H₄CO₃	Ethylene carbonate	etco3
1409	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1410	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1411	C₂H₄O₄	Formic acid dimer	fadimer
1412	C₄H₅NO	3-Methylisoxazole	isox3m
1413	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1414	C₄H₅NS	4-Methylthiazole	c693958
1415	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1416	C₅H₆O	2H-Pyran	pyran2
1417	C₅H₆O	2-methylfuran	furan2m
1418	C₅H₆O	3-Methylfuran	furan3m
1419	C₅H₆O	Pentadienal	pdal
1420	C₅H₆S	Thiophene, 2-methyl-	c554143
1421	C₅H₆S	Thiophene, 3-methyl-	c616444
1422	C₄H₆O₂	γ–Butyrolactone	c96480
1423	C₄H₆O₂	2,3-Butanedione	c431038
1424	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1425	C₄H₆O₂	Crotonic Acid	crot
1426	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1427	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1428	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1429	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1430	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1431	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1432	C₄H₆OS	Vinyl sulfoxide	c1115157
1433	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1434	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1435	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1436	C₃H₆O₃	1,3,5-Trioxane	trioxane
1437	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1438	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1439	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1440	C₄H₇NO	2-Pyrrolidinone	c616455
1441	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1442	C₄H₇NO	Methacrylamide	c79390
1443	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1444	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1445	C₃H₇ONO	Propyl nitrite	prono
1446	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1447	CH₃CH(NH₂)COOH	Alanine	alanine
1448	CH₃NHCH₂COOH	Sarcosine	sarcosine
1449	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1450	NH₂COOC₂H₅	Urethane	urethane
1451	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1452	C₅H₈O	Cyclopentanone	c120923
1453	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1454	C₅H₈O	Methyl cyclopropyl ketone	c765435
1455	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1456	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1457	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1458	C₄H₈O₂	1,3-Dioxane	dioxan13
1459	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1460	C₄H₈O₂	1,4-Dioxane	dioxan14
1461	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1462	C₄H₈O₂	Ethyl acetate	c141786
1463	C₄H₈OS	s-Ethyl thioacetate	c625605
1464	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1465	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1466	C₄H₉NO	Butanamide	c541355
1467	C₄H₉NO	Propanamide, 2-methyl-	c563837
1468	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1469	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1470	C₅H₁₀O	2-methylbutyraldehyde	2meba
1471	C₅H₁₀O	2-Pentanone	mpk
1472	C₅H₁₀O	3-Pentanone	dek
1473	C₅H₁₀O	Cyclopentanol	c96413
1474	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1475	C₅H₁₀O	Pentanal	pal
1476	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1477	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1478	C₅H₁₀S	Cyclopentanethiol	c1679078
1479	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1480	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1481	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1482	C₄H₁₀O₂	1,3-Butanediol	budiol13
1483	C₄H₁₀O₂	1,4-Butanediol	budiol14
1484	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1485	C₄H₁₀OS	Diethyl sulfoxide	c70291
1486	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1487	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1488	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1489	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1490	C₅H₁₂O	1-Pentanol	pentanol1
1491	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1492	C₅H₁₂O	2-Pentanol	peol2
1493	C₅H₁₂O	3-Pentanol	pentan3ol
1494	C₅H₁₂O	Butane, 1-methoxy-	meobu
1495	C₅H₁₂O	Propane, 1-ethoxy-	proet
1496	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1497	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1498	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1499	C₅H₁₂S	1-Pentanethiol	c110667
1500	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1501	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1502	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1503	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1504	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1505	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1506	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1507	C₄F₂	difluorobutadiyne	c4f2
1508	ClCOClCO	Oxalyl chloride	oxcl
1509	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1510	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1511	B₂F₄	Diboron tetrafluoride	b2f4
1512	B₂Cl₄	Diboron tetrachloride	b2cl4
1513	C₂F₄	Tetrafluoroethylene	c2f4
1514	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1515	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1516	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1517	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1518	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1519	C₂FCl₃	fluorotrichloroethene	c2fcl3
1520	C₂Cl₄	Tetrachloroethylene	c2cl4
1521	C₂Br₄	tetrabromoethene	c2br4
1522	CF₃OF	Trifluoromethylhypofluorite	cf3of
1523	SiF₅^-	silicon pentafluoride anion	sif5-
1524	SOF₄	Sulfur tetrafluoride oxide	sof4
1525	PF₅	Phosphorus pentafluoride	pf5
1526	AsF₅	Arsenic pentafluoride	asf5
1527	PCl₅	Phosphorus pentachloride	pcl5
1528	SF₅⁺	pentafluoro sulfur cation	sf5+
1529	SbCl₅	Antimony pentachloride	sbcl5
1530	BrF₅	bromine pentafluoride	brf5
1531	ClF₅	chlorinepentafluoride	clf5
1532	IF₅	pentafluoroiodine	if5
1533	CF₃CHO	trifluoroacetaldehyde	cf3cho
1534	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1535	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1536	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1537	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1538	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1539	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1540	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1541	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1542	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1543	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1544	CF₃COOH	trifluoroacetic acid	cf3cooh
1545	C₄H₃ClO	Furan, 2-chloro	fur2cl
1546	C₄H₃ClO	Furan,3-chloro	fur3cl
1547	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1548	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1549	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1550	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1551	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1552	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1553	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1554	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1555	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1556	C₄H₈O₂	Butanoic acid	bua
1557	C₆H₅CH₂	benzyl radical	benzyl
1558	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1559	C₆H₅CH₃	toluene	toluene
1560	C₇H₈	cycloheptatriene	cht
1561	C₇H₈	Norbornadiene	norbor
1562	C₇H₈	Quadricyclane	qucy
1563	C₇H₁₂	Norbornane	nor
1564	C₇H₁₄	cycloheptane	c7h14
1565	C₇H₁₆	2-methylhexane	2mhex
1566	C₇H₁₆	3-methylhexane	hex3m
1567	C₇H₁₆	heptane	heptane
1568	CH(CN)₃	tricyanomethane	mecn3
1569	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1570	C₆H₇N	2-Methylpyridine	mp
1571	C₆H₅NH₂	aniline	aniline
1572	C₆H₁₃N	2-Methylpiperidine	pip2m
1573	C₆H₁₃N	cyclohexanamine	cham
1574	C₆H₁₅N	triethylamine	tea
1575	N₂O₅	Dinitrogen pentoxide	n2o5
1576	C₄H₂O₃	Maleic Anhydride	malan
1577	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1578	C₅H₄O₂	furfural	furfural
1579	C₆H₅O	phenoxy radical	phenoxy
1580	C₅H₅NO	2(1H)-Pyridinone	c72762006
1581	C₅H₅NO	2(3H)-Pyridinone	c9000048
1582	C₅H₅NO	2(5H)-Pyridinone	c9000037
1583	C₅H₅NO	2-Pyridinol	c109104
1584	C₅H₅NO	3(2H)-Pyridinone	c9000004
1585	C₅H₅NO	3(4H)-Pyridinone	c9000026
1586	C₅H₅NO	3(6H)-Pyridinone	c9000015
1587	C₅H₅NO	3-Pyridinol	c109002
1588	C₅H₅NO	4(1H)-Pryidinone	c9000060
1589	C₅H₅NO	4(3H)-Pryidinone	c9000059
1590	C₅H₅NO	4-Pyridinol	c626642
1591	C₆H₅OH	phenol	phenol
1592	C₆H₆O	2,4-Cyclohexadienone	c24599573
1593	C₆H₆O	2,5-Cyclohexadienone	c5664335
1594	C₆H₅SH	Benzenethiol	phsh
1595	HO₂CCHNH₂CH₂OH	Serine	serine
1596	C₅H₈O₂	Acetylacetone	acac
1597	C₄H₈O₂S	Sulfolane	sulfolane
1598	C₇H₁₀	Norbornene	norbornene
1599	CH(C₂H₃)₃	trivinyl methane	tvm
1600	C₆H₁₀O	cyclohexanone	chexo
1601	C₆H₁₂O	hexanal	c6h12o
1602	C₆H₁₂O	Oxepane	oxepane
1603	C₃H₇OC₃H₇	di-n-propyl ether	propr
1604	F₂CCCF₂	tetrafluoroallene	pfa
1605	CF₃COO^-	trifluoro acetate anion	cf3coo-
1606	CF₃COF	trifluoroacetyl fluoride	cf3cof
1607	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1608	PF₆	Hexafluorophosphate neutral	pf6
1609	PF₆^-	Hexafluorophosphate ion	pf6-
1610	SF₆	Sulfur Hexafluoride	sf6
1611	SeF₆	Selenium hexafluoride	sef6
1612	SF₅Cl	sulfur chloropentafluoride	sf5cl
1613	CF₃CHF₂	pentafluoroethane	cf3chf2
1614	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1615	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1616	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1617	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1618	C₆H₅F	Fluorobenzene	bzf
1619	C₆H₅Cl	chlorobenzene	bzcl
1620	C₆H₅Br	bromobenzene	bzbr
1621	C₈H₆	Calicene	calicene
1622	C₆H₅CCH	phenylacetylene	phac
1623	C₈H₆	benzocyclobutadiene	bcbd
1624	C₈H₆	Pentalene	pentalene
1625	C₆H₅CHCH₂	Styrene	styrene
1626	C₈H₈	cubane	cubane
1627	C₈H₈	cyclooctatetraene	cot
1628	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1629	CH₃C₆H₄CH₃	meta-xylene	mxylene
1630	CH₃C₆H₄CH₃	paraxylene	pxylene
1631	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1632	C₈H₁₆	cyclooctane	cyclooct
1633	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1634	C₈H₁₈	Octane	c8h18
1635	C₆H₅CN	phenyl cyanide	phcn
1636	C₆H₁₂N₂	Triethylenediamine	ted
1637	C₄O₄^--	squarate dianion	c4o4--
1638	S₄N₄	Tetrasulfur tetranitride	s4n4
1639	S₈	Octasulfur	s8
1640	C₆H₄O₂	parabenzoquinone	pbq
1641	C₄H₄N₂O₂	Uracil	uracil
1642	C₆H₅CHO	benzaldehyde	benzal
1643	C₆H₅OCH₃	Anisole	anisole
1644	C₅H₉NO₂	Proline	proline
1645	C₆H₁₂O₂	Hexanoic acid	hexa
1646	C₄F₄	tetrafluorcyclobutadiene	c4f4
1647	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1648	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1649	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1650	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1651	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1652	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1653	C₂F₆	hexafluoroethane	c2f6
1654	C₂Cl₆	hexachloroethane	c2cl6
1655	IF₇	Iodine heptafluoride	if7
1656	C₆H₄F₂	metadifluorobenzene	mdfb
1657	C₆H₄F₂	orthodifluorobenzene	odfb
1658	C₆H₄F₂	1,4-difluorobenzene	pdfb
1659	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1660	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1661	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1662	C₆H₅NO	nitrosobenzene	bzno
1663	C₉H₈	Indene	indene
1664	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1665	C₉H₁₂	n-propyl benzene	prbz
1666	C₉H₂₀	Nonane	nonane
1667	C(CN)₄	tetracyanomethane	c5n4
1668	C₅H₄N₄	purine	purine
1669	C₈H₇N	Indole	indole
1670	C₃H₃N₃O₃	cyanuric acid	cyanuric
1671	C₆H₅NO₂	Nitrobenzene	c6h5no2
1672	C₆H₅COOH	benzoic acid	benzo
1673	CH₃COC₆H₅	acetophenone	acph
1674	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1675	C₃F₆	hexafluoropropene	c3f6
1676	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1677	C₈H₁₈O	1-Octanol	octanol
1678	C₁₀H₈	Azulene	azu
1679	C₁₀H₈	naphthalene	naph
1680	C₁₀H₁₀	bullvalene	bullv
1681	C₁₀H₁₆	adamantane	adamantane
1682	C₆N₄	Tetracyanoethylene	tcne
1683	C₆N₄^-	tetracyanoethylene anion	tcne-
1684	C₁₀H₂₂	Decane	decane
1685	C₄F₆	perfluorobutadiene	c4f6
1686	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1687	C₃F₈	perfluoropropane	c3f8
1688	Fe(CO)₅	Iron pentacarbonyl	ipc
1689	Fe(C₅H₅)₂	ferrocene	fecp2
1690	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1691	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1692	C₁₂H₈	Acenaphthylene	acenaph
1693	C₁₂H₈	biphenylene	biph
1694	C₁₂H₁₀	biphenyl	biphenyl
1695	C₁₂H₁₀	Heptalene	heptalene
1696	C₆H₁₂O₆	Inositol	inositol
1697	C₆F₆	hexafluorobenzene	c6f6
1698	S₂F₁₀	disulphur decafluoride	s2f10
1699	C₁₃H₁₀	Fluorene	fluorene
1700	C₁₄H₁₀	Anthracene	anth
1701	C₁₄H₁₀	Phenanthrene	phenanthrene
1702	C₁₄H₁₄	Bibenzyl	bibenzyl
1703	C₁₂H₁₀N₂	azobenzene	azobenzene
1704	C₆H₅COC₆H₅	benzophenone	benzophenone
1705	C₁₆H₁₀	Pyrene	pyrene
1706	C₁₈H₁₂	Tetracene	tetracene
1707	C₁₉H₁₆	Triphenylmethane	tpm
1708	C₂₄H₁₂	Coronene	coronene
1709	C₆₀	Buckminsterfullerene	c60

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities