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

List of which calculations are completed at ROMP2 /6-311G*

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom
6	He^-	Helium atom anion	²S	K_h
7	He⁺	Helium atom cation	²S	K_h
8	HeH⁺	Helium hydride cation	¹Σ	C_∞v
9	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
10	Li	Lithium atom	²S	K_h
11	Li⁺	Lithium atom cation	¹S	K_h
12	Na	Sodium atom	²S	K_h
13	Na^-	Sodium atom anion	¹S	K_h
14	K	Potassium atom	²S	K_h
15	K^-	Potassium atom anion	¹S	K_h
16	K⁺	Potassium atom cation	¹S	K_h
17	Cu^-	Copper atom anion	¹S	K_h
18	Cu⁺	Copper atom cation	¹S	K_h
19	LiH⁺	lithium hydride cation	²Σ	C_∞v
20	NaH⁺	sodium hydride cation	²Σ	C_∞v
21	KH	Potassium hydride	¹Σ	C_∞v
22	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
23	CuH	Copper monohydride	¹Σ	C_∞v
24	Be⁺	Beryllium atom cation	²S	K_h
25	Mg^-	Magnesium atom anion	²P	K_h
26	Mg⁺	Magnesium atom cation	²S	K_h
27	Ca^-	Calcium atom anion	²D	K_h
28	Ca⁺	Calcium atom cation	²S	K_h
29	BeH	beryllium monohydride	²Σ	C_∞v
30	MgH	magnesium monohydride	²Σ	C_∞v
31	TiH	Titanium monohydride	⁴Φ	C_∞v
32	ZnH	Zinc monohydride	²Σ	C_∞v
33	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
34	BeH₂⁺	Beryllium dihydride cation
35	B	Boron atom	²P	K_h
36	B	Boron atom	⁴P	K_h
37	B⁺	Boron atom cation	¹S	K_h
38	Al	Aluminum atom	²P	K_h
39	Al^-	Aluminum atom anion	³P	K_h
40	Al⁺	Aluminum atom cation	¹S	K_h
41	Sc	Scandium atom	²D	K_h
42	Sc⁺	Scandium cation	³D	K_h
43	Ga	Gallium atom	²P
44	Ga^-	Gallium atom anion	³P	O_h
45	Ga⁺	Gallium atom cation	¹S
46	BH	Boron monohydride	³Π	C_∞v
47	BH^-	boron monohydride anion	⁴Σ	C_∞v
48	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
49	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
50	BH₂^-	boron dihydride anion	³B₁	C_2v
51	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
52	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
53	BH₃⁺	boron trihydride cation	²E^'	D_3h
54	BH₃⁺	boron trihydride cation	²B₂	C_2v
55	BH₃⁺	boron trihydride cation		C_2v
56	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
57	AlH₃^-	aluminum trihydride anion		C_3v
58	AlH₃⁺	aluminum trihydride cation	²E	D_3h
59	ScH₃	Scandium trihydride	¹A₁	C_3v
60	BH₄	borohydride	²B₂	C_2v
61	BH₄^-	borohydride anion	¹A₁	T_d
62	C	Carbon atom	³P₀	K_h
63	C^-	Carbon atom anion	²D	K_h
64	C⁺	Carbon atom cation	²P	K_h
65	Si	Silicon atom	³P	K_h
66	Si^-	Silicon atom anion	⁴S	K_h
67	Si⁺	Silicon atom cation	²P	K_h
68	Ge	Germanium atom	³P	K_h
69	Ge^-	Germanium anion	⁴S	K_h
70	CH	Methylidyne	²Π_1/2	C_∞v
71	SiH	Silylidyne	²Π	C_∞v
72	SiH^-	silicon monohydride anion	³Σ	C_∞v
73	GeH	germylidene	²Π	C_∞v
74	CH₂	Methylene	³B₁	C_2v
75	CH₂	Methylene	³Σ_G	D_∞h
76	CH₂^-	methylene anion	²B₁	C_2v
77	CH₂⁺	methylene cation	²A₁	C_2v
78	CH₂⁺	methylene cation	²Π	D_∞h
79	SiH₂	silicon dihydride	³B₁	C_2v
80	SiH₂^-	silicon dihydride anion	²B₁	C_2v
81	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
82	GeH₂	germylene	¹A₁	C_2v
83	GeH₂^-	germylene anion	²B₁	C_2v
84	CH₃	Methyl radical	²A₁	D_3h
85	SiH₃	Silyl radical	²A₁	C_3v
86	SiH₃^-	Silyl anion	¹A₁	C_3v
87	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
88	GeH₃	Germyl radical	²A₁	C_3v
89	GeH₃⁺	germyl cation	¹A₁^'	D_3h
90	N	Nitrogen atom	⁴S	K_h
91	N	Nitrogen atom	²D	K_h
92	N^-	Nitrogen atom anion	³S	K_h
93	N⁺	Nitrogen atom cation	³P	K_h
94	P	Phosphorus atom	⁴S	K_h
95	P^-	Phosphorus atom anion	³P	K_h
96	P⁺	Phosphorus atom cation	³P	K_h
97	V	Vanadium atom	⁴F	K_h
98	V⁺	Vanadium atom cation	⁵D	K_h
99	As	Arsenic atomic	⁴S	K_h
100	As^-	Arsenic anion	³P	K_h
101	PH	phosphorus monohydride	³Σ^-	C_∞v
102	AsH	Arsenic monohydride	³Σ	C_∞v
103	NH₂	Amino radical	²B₁	C_2v
104	NH₂⁺	Amino cation	³B₁	C_2v
105	PH₂^-	Phosphino anion	¹A₁	C_2v
106	PH₂⁺	Phosphino cation	¹A₁	C_2v
107	AsH₂	Arsenic dihydride	²A₁	C_2v
108	NH₃^-	Ammonia anion	²A₁	C_3v
109	NH₃⁺	ammonia cation	²A₂^"	D_3h
110	PH₃⁺	Phosphine cation	²A₁	C_3v
111	AsH₃⁺	Arsine cation	²A₁	C_3v
112	NH₄	Ammonium radical
113	PH₄	Phosphoranyl radical
114	O	Oxygen atom	³S	K_h
115	O^-	Oxygen atom anion	²P	K_h
116	O⁺	Oxygen atom cation	⁴S	K_h
117	S	Sulfur atom	³P	K_h
118	S^-	Sulfur atom anion	²P	K_h
119	S⁺	Sulfur atom cation	⁴S	K_h
120	Se	Selenium atom	³P	K_h
121	Se^-	Selenium atom anion	²P	K_h
122	Se⁺	Selenium atom cation	⁴S	K_h
123	OH	Hydroxyl radical	²Π	C_∞v
124	OH^-	hydroxide anion	¹Σ	C_∞v
125	OH⁺	hydoxyl cation	³Σ	C_∞v
126	HS	Mercapto radical	²Π	C_∞v
127	HS^-	mercapto anion	¹Σ	C_∞v
128	HS⁺	sulfur monohydride cation	³Σ	C_∞v
129	CrH	Chromium hydride	⁶Σ	C_∞v
130	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
131	HSe	Selenium monohydride	²Π	C_∞v
132	HSe⁺	selenium monohydride cation	³Σ	C_∞v
133	H₂O^-	water anion	²A₁	C_2v
134	H₂O^-	water anion	²A^'	C_s
135	H₂O⁺	water cation	²B₁	C_2v
136	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
137	H₂Se	Hydrogen selenide	¹A₁	C_2v
138	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
139	H₃S⁺	Sulfonium cation	¹A₁	C_3v
140	F	Fluorine atom	²P	K_h
141	F^-	Fluorine atom anion	¹S	K_h
142	F⁺	Fluorine atom cation	³S	K_h
143	F⁺	Fluorine atom cation	¹D	K_h
144	Cl	Chlorine atom	²P	K_h
145	Cl^-	Chlorine atom anion	¹S	K_h
146	Cl⁺	Chlorine atom cation	³P	K_h
147	Cl⁺	Chlorine atom cation	¹D	K_h
148	Br	Bromine atom	²P	K_h
149	Br^-	Bromine atom anion	¹S	K_h
150	Br⁺	Bromine atom cation	³P	K_h
151	HF^-	hydrogen fluoride anion	²Σ	C_∞v
152	HF⁺	hydrogen fluoride cation	²Π	C_∞v
153	HCl^-	hydrogen chloride anion	²Σ	C_∞v
154	HCl⁺	hydrogen chloride cation	²Π	C_∞v
155	HBr^-	hydrogen bromide anion	²Σ	C_∞v
156	HBr⁺	hydrogen bromide cation	²Π	C_∞v
157	HI⁺	Hydrogen iodide cation
158	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
159	Ne	Neon atom
160	Ne^-	Neon atom anion	²S	K_h
161	Ne⁺	Neon atom cation	²P	K_h
162	Ar^-	Argon atom anion	²S	K_h
163	Ar⁺	Argon atom cation	²P	K_h
164	Kr	Krypton atom	¹S	K_h
165	Kr⁺	Krypton cation	²P	K_h
166	NeH	neon hydrogen	²Σ	C_∞v
167	ArH⁺	Argon hydride cation	¹Σ	C_∞v
168	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
169	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
170	NaK⁺	Sodium Potassium diatomic cation		1
171	LiBe	Lithium Beryllium	²Σ	C_∞v
172	LiMg	Lithium magnesium	²Σ	C_∞v
173	NaBe	Sodium Beryllium	²Σ	C_∞v
174	NaMg	Sodium Magnesium	²Σ	C_∞v
175	Be₂	Beryllium diatomic	³Π_g	D_∞h
176	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
177	LiB	Lithium boride	³Π	C_∞v
178	NaAl	Sodium aluminum	¹Σ	C_∞v
179	BeB	Beryllium monoboride	²Π	C_∞v
180	B₂	Boron diatomic	³Σ_g	D_∞h
181	BAl	Boron Aluminum	³Σ	C_∞v
182	BGa	Boron Gallium	³Σ	C_∞v
183	AlGa	Aluminum Gallium	³Σ	C_∞v
184	Ga₂	Gallium diatomic	³P_iu
185	HBBH	Diborane(2)	³Σ_G	D_∞h
186	B₂H₆⁺	Diborane cation
187	LiC	Lithium Carbide	⁴Σ	C_∞v
188	BeC	Beryllium Carbide	³Σ^-	C_∞v
189	BeC	Beryllium Carbide
190	CaC	Calcium monocarbide
191	BC	boron monocarbide	⁴Σ^-	C_∞v
192	BC^-	boron monocarbide anion	³Π_u	C_∞v
193	AlC	Aluminum carbide	⁴Σ	C_∞v
194	BSi	Boron silicide	⁴Σ	C_∞v
195	BSi	Boron silicide	²Σ	C_∞v
196	C₂	Carbon diatomic	³Π_u	D_∞h
197	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
198	SiC	silicon monocarbide	³Σ	C_∞v
199	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
200	SiC⁺	silicon monocarbide cation	²Π	C_∞v
201	GeC	Germanium monocarbide	¹Σ	C_∞v
202	SiGe	Silicon Germanium
203	Ge₂	Germanium diatomic	³Σ_g	D_∞h
204	C₂H	Ethynyl radical	²Σ	C_∞v
205	ZnCH₂	Zinc methylene	³B₁	C_2v
206	ZnCH₂	Zinc methylene	¹A^'	C_s
207	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
208	CCH₂	vinylidene	³B₂	C_2v
209	H₂CC^-	vinylidene anion
210	HCCH^-	acetylene anion
211	HCCH^-	acetylene anion
212	ZnCH₃	Zinc monomethyl	²A₁	C_3v
213	C₂H₃	vinyl	²A^'	C_s
214	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
215	C₂H₄^-	Ethylene anion	²B_2g	D_2h
216	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
217	C₂H₄⁺	Ethylene cation	²B₃	D₂
218	CH₃CH	methylmethylene	³A^"	C_s
219	C₂H₅	Ethyl radical	²A^'	C_s
220	LiN	Lithium Nitride	³Σ	C_∞v
221	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
222	LiP	Lithium monophosphide
223	BeN	Beryllium mononitride	⁴Σ	C_∞v
224	BeN	Beryllium mononitride	²Π	C_∞v
225	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
226	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
227	MgN	Magnesium Nitride
228	MgN	Magnesium Nitride
229	BP	Boron monophosphide	³Π	C_∞v
230	AlP	Aluminum monophosphide	³Σ	C_∞v
231	AlP	Aluminum monophosphide	³Π	C_∞v
232	GaN	Gallium mononitride	³Π	C_∞v
233	GaP	Gallium monophosphide	³Σ	C_∞v
234	GaAs	Gallium arsenide	³Π
235	GaAs	Gallium arsenide	¹Σ
236	BN	boron nitride	³Π	C_∞v
237	CN	Cyano radical	²Σ	C_∞v
238	SiP	Silicon monophosphide	²Π	C_∞v
239	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
240	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
241	N₂	Nitrogen diatomic
242	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
243	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
244	HNB	hydrogen nitrogen boron	²Σ	C_∞v
245	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
246	HNC⁺	hydrogen isocyanide cation
247	HCP⁺	Phosphaethyne cation
248	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
249	CNH₂	Aminomethylidyne radical	²B₂	C_2v
250	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
251	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
252	HCNH	methyleneazane	²A^'	CS cis
253	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
254	CH₂NH⁺	Methanimine cation
255	CHNH₂⁺	Aminocarbene cation
256	N₂H₄⁺	hydrazine cation	²A_G	C_2h
257	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
258	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
259	LiO	lithium oxide	²Σ	C_∞v
260	LiO^-	lithium oxide anion	¹Σ	C_∞v
261	LiO^-	lithium oxide anion	³Σ	C_∞v
262	LiO⁺	lithium oxide cation	³Σ	C_∞v
263	LiS	Lithium monosulfide	²Π	C_∞v
264	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
265	NaO	sodium monoxide	²Σ	C_∞v
266	KO	Potassium monoxide	²Σ	C_∞v
267	KO⁺	Potassium monoxide cation	³Σ	C_∞v
268	NaS	Sodium sulfide	²Π	C_∞v
269	LiSe	Lithium monoselenide
270	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
271	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
272	BO	boron monoxide	²Σ	C_∞v
273	BO^-	boron monoxide anion	¹Σ	C_∞v
274	ScO	Scandium monoxide	²Σ	C_∞v
275	GaO	Gallium monoxide	²Σ	C_∞v
276	GaS	Gallium monosulfide
277	CO	Carbon monoxide	³Π	C_∞v
278	CO^-	carbon monoxide anion	²Π	C_∞v
279	CO⁺	carbon monoxide cation	²Σ	C_∞v
280	TiO	Titanium monoxide	³Δ	C_∞v
281	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
282	SiSe⁺	Silicon Monoselenide cation
283	NO	Nitric oxide	²Π	C_∞v
284	NO^-	nitric oxide anion	³Σ	C_∞v
285	NS	Mononitrogen monosulfide	²Π	C_∞v
286	NS^-	nitrogen sulfide anion	³Σ	C_∞v
287	PO	Phosphorus monoxide	²Π	C_∞v
288	PS	phosphorus sulfide	²Σ	C_∞v
289	VO	Vanadium monoxide	⁴Σ^-
290	AsO	Arsenic monoxide	²Π	C_∞v
291	NSe	Nitrogen monoselenide	²Π	C_∞v
292	AsS	Arsenic monosulfide	²Π	C_∞v
293	PSe	Phosphorus monoselenide	²Π	C_∞v
294	AsSe	Arsenic monoselenide	²Π	C_∞v
295	O₂	Oxygen diatomic	³Σ_g	D_∞h
296	O₂^-	oxygen diatomic anion	²Π	D_∞h
297	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
298	SO	Sulfur monoxide	³Σ	C_∞v
299	SO	Sulfur monoxide	¹Σ	C_∞v
300	SO⁺	sulfur monoxide cation	²Π	C_∞v
301	S₂	Sulfur diatomic	³Σ_g	D_∞h
302	SeO	Selenium monoxide	³Σ	C_∞v
303	Se₂	Selenium diatomic	³Σ_g	D_∞h
304	BeOH	beryllium monohydroxide	²A^'	C_s
305	COH	Hydroxymethylidyne
306	HCO	Formyl radical	²A^'	C_s
307	HCO^-	formyl anion	¹A^'	C_s
308	HCO⁺	Formyl cation	¹Σ	C_∞v
309	HCS⁺	Thioformyl cation	¹Σ	C_∞v
310	HNO	Nitrosyl hydride	¹A^'	C_s
311	HNO^-	Nitrosyl hydride anion	²A^"	C_s
312	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
313	NOH	Hydroxyimidogen	³A^"	C_s
314	NOH⁺	O-protonated nitric oxide	²A^'	C_s
315	HNS^-	Sulfur imide anion	²A	C_s
316	HO₂	Hydroperoxy radical	²A^"	C_s
317	HO₂^-	Hydroperoxy anion	¹A^'	C_s
318	HO₂⁺	Hydroperoxy cation	³A^"	C_s
319	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
320	SOH	Sulfur Hydroxide
321	SOH⁺	Sulfur Monoxide, protonated
322	HS₂	Thiosulfeno radical	²A^"	C_s
323	H₂CO^-	formaldehyde anion	²A^'	C_s
324	H₂CO^-	formaldehyde anion
325	H₂CO⁺	formaldehyde cation	²B₂	C_2v
326	H₂CS^-	thioformaldehyde anion
327	H₂CS^-	thioformaldehyde anion
328	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
329	H₂NO	nitroxide	²B₁	C_2v
330	H₂NO	nitroxide	²A^'	C_s
331	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
332	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
333	CH₂OH	Hydroxymethyl radical	²A	C₁
334	CH₃O⁺	Methoxy cation	³A₁	C_3v
335	NH₂OH⁺	Hydroxylamine cation
336	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
337	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
338	CH₃SH⁺	Methanethiol cation	²A^"	C_s
339	NH₂OH₂⁺	protonated hydroxylamine
340	NH₃OH⁺	N-protonated hydroxylamine
341	NaF⁺	sodium fluoride cation	²Σ	C_∞v
342	LiF^-	lithium fluoride anion	²Σ	C_∞v
343	LiF⁺	lithium fluoride cation	²Π	C_∞v
344	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
345	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
346	TiCl	Titanium Monochloride	⁴Σ	C_∞v
347	ZnF	Zinc monofluoride	²Σ	C_∞v
348	ZnCl	Zinc monochloride	²Σ	C_∞v
349	CaBr	Calcium monobromide
350	GaF	Gallium monofluoride	¹Σ	C_∞v
351	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
352	GaCl	Gallium monochloride	¹Σ_G	C_∞v
353	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
354	CF	Fluoromethylidyne	²Π	C_∞v
355	SiF	silicon monofluoride	²Π	C_∞v
356	SiF^-	silicon monofluoride anion	³Σ	C_∞v
357	SiCl	Clorosilylidyne	²Π	C_∞v
358	CBr	Carbon monobromide	²Π	C_∞v
359	GeF	Germanium monofluoride	²Π	C_∞v
360	GeCl	Germanium monochloride	²Π	C_∞v
361	SiBr	Silicon monobromide	²Π	C_∞v
362	SiBr⁺	Silicon monobromide cation
363	NCl	nitrogen monochloride	³Σ	C_∞v
364	NCl^-	nitrogen monochloride anion	²Π	C_∞v
365	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
366	AsF	Arsenic monofluoride	³Σ	C_∞v
367	NBr	nitrogen monobromide	³Σ^-	C_∞v
368	AsCl	Arsenic monochloride	³Σ	C_∞v
369	PBr	Phosphorus monobromide
370	FO	Oxygen monofluoride	²Π	C_∞v
371	ClO	Monochlorine monoxide	²Π	C_∞v
372	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
373	SF	Monosulfur monofluoride	²Π	C_∞v
374	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
375	SCl	sulfur monochloride	²Π	C_∞v
376	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
377	BrO	Bromine monoxide	²Π	C_∞v
378	BrO⁺	Bromine monoxide cation
379	SeF	Selenium monofluoride	²Π	C_∞v
380	SBr	Sulfur monobromide radical
381	SBr⁺	Sulfur monobromide cation
382	SeCl	Selenium monochloride	²Π	C_∞v
383	SeBr	Selenium monobromide
384	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
385	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
386	ClF⁺	clorine monofluoride cation	²Π	C_∞v
387	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
388	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
389	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
390	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
391	I₂⁺	Iodine diatomic cation	²Π_g	D_∞v
392	HCF	Fluoromethylene	³A^"	C_s
393	HCCl	Chloromethylene	³A^"	C_s
394	CHBr	bromomethylene	³A^"	C_s
395	HOCl⁺	hypochlorous acid cation
396	HOBr⁺	Hypobromous acid cation	²A^"	C_s
397	CH₂Br	bromomethyl radical	²A^'	C_s
398	CH₂Br	bromomethyl radical
399	CH₂F	fluoromethyl radical	²A	C_s
400	CH₂Cl	chloromethyl radical	²A^'	C_s
401	CH₂Cl	chloromethyl radical	²B₁	C_2v
402	CH₃F⁺	methyl fluoride cation
403	CH₃Cl⁺	Methyl chloride cation
404	CH₃Br	methyl bromide	¹A₁	C_3v
405	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
406	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
407	Li₃	Lithium trimer	²B₂	C_2v
408	C₃	carbon trimer	¹A₁	C_2v
409	C₃H₃	cyclopropenyl radical	²A^'	C_s
410	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
411	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
412	CH₃CHCH	1-propenyl radical	²A^'	C_s
413	C₃H₇	n-Propyl radical	²A^"	C₁
414	CH₃CHCH₃	Isopropyl radical	²A	C₂
415	LiCN	lithium cyanide	¹Σ	C*V LiCN
416	KCN	Potassium cyanide	¹Σ	C_∞v
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
426	HN₃	hydrogen azide	¹A^'	C_s
427	HN₃⁺	Hydrazoic acid cation
428	CH₃CN^-	acetonitrile anion	²E	C_3v
429	CH₃CN^-	acetonitrile anion	²A^'	C_s
430	HCNCH₂⁺	2H-Azirine cation
431	CH₂CHNH	vinylazine	²A^"	CS cis
432	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
433	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
434	LiO₂	Lithium dioxide
435	NaO₂	Sodium superoxide
436	CCO	Dicarbon monoxide	³Σ	C_∞v
437	NCO	isocyanato radical	²Π	C_∞v
438	SCN	thiocyanato radical	²Π	C_∞v
439	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
440	N₂O^-	Nitrous oxide anion	²A^'	C_s
441	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
442	CO₂^-	Carbon dioxide anion	²A₁	C_2v
443	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
444	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
445	CS₂^-	Carbon disulfide anion	²A₁	C_2v
446	NO₂	Nitrogen dioxide	²A₁	C_2v
447	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
448	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
449	NSO	sulfinyl amidogen
450	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
451	SNO	Nitrogen oxide sulfide
452	AsO₂	Aresenic dioxide	²A₁	C_2v
453	O₃^-	Ozone anion	²B₁	C_2v
454	O₃⁺	Ozone cation	²A₁	C_2v
455	SO₂	Sulfur dioxide	¹A₁	C_2v
456	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
457	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
458	S₃^-	Sulfur trimer anion	²B₁	C_2v
459	S₃⁺	Sulfur trimer cation	²B₂	C_2v
460	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
461	HCCO	ketenyl radical	²Π	C_∞v
462	HCCO	ketenyl radical	²A^"	C_s
463	HCOO	formate neutral radical	²A^'	C_s
464	HOCO	Hydrocarboxyl radical	¹A^'	cis
465	HOCO	Hydrocarboxyl radical	¹A^'	trans
466	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
467	HNO₂⁺	nitrous acid cation	²A^'	C_s
468	CH₂CO⁺	Ketene cation	²B₁	C_2v
469	Be(OH)₂	Beryllium hydroxide
470	CH₂CHO	Vinyloxy radical	²A^"	C_s
471	CH₂OOH	CH2OOH radical	²A	C₁
472	C₂H₄O⁺	ethylene oxide cation
473	CH₃CHO⁺	acetaldehyde cation
474	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
475	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
476	CH₃CH₂O	Ethoxy radical	²A^'	C_s
477	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
478	CH₃OCH₂	methoxymethyl radical	²A	C₁
479	CH₃SCH₃⁺	dimethyl sulfide cation
480	CuF₂	Copper difluoride	²Π_g	D_∞h
481	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
482	ZnCl₂	Zinc dichloride	¹Σ_G	D_∞h
483	FCO	Carbonyl fluoride	²A^'	C_s
484	ClCO	carbonyl monochloride	²A^'	C_s
485	BF₂	Boron difluoride radical	²A₁	C_2v
486	CF₂	Difluoromethylene	³B₁	C_2v
487	CF₂^-	Difluoromethylene anion	²B₁	C_2v
488	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
489	SiF₂	Silicon difluoride	³B₁	C_2v
490	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
491	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
492	CBr₂	dibromomethylene	³B₁	C_2v
493	FOO⁺	Fluorine dioxide cation
494	ClOO⁺	chloroperoxy cation	¹A^'	C_s
495	OClO	Chlorine dioxide	²B₁	D_∞h
496	OClO^-	Chlorine dioxide anion	¹A^'	C_s
497	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
498	ClSO	Sulfur chloride oxide	²A^"	C_s
499	BrOO	Bromine dioxide
500	OBrO	Bromine dioxide radical	²B₁	C_2v
501	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
502	PF₂	Phosphorus difluoride
503	SF₂^-	sulfur difluoride anion	²A^'	C_s
504	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
505	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
506	HFCO⁺	formyl fluoride cation	²A^'	C_s
507	CHCl₂	dichloromethyl radical	²B₁	C_2v
508	CHCl₂	dichloromethyl radical	²A^'	C_s
509	CHF₂	difluoromethyl radical	²A	C_s
510	CHFCl	Chlorofluoromethyl radical
511	CHBr₂	dibromomethyl radical
512	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
513	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
514	CHClCH₃	1-chloroethyl radical	²A	C₁
515	C₄	Carbon tetramer	³Σ_g	D_∞h
516	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
517	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
518	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
519	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
520	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
521	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
522	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
523	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
524	HCO₃^-	bicarbonate anion
525	HSO₃	Hydroxysulfonyl radical	²A	C₁
526	C₂H₂O₂	Ethanedial	¹A_g	C_2h
527	CH₃COCH₂	Acetonyl radical	²A^"	C_s
528	C₂H₅OO	ethylperoxy radical	²A^'	C_s
529	CH₃COCH₃^-	acetone anion	²A^'	C_s
530	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
531	ClONO	chlorine nitrite	¹A^'	CS cis
532	CF₂O⁺	Carbonic difluoride cation
533	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
534	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
535	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
536	BF₃⁺	boron trifluoride cation
537	BCl₃⁺	Boron Trichloride cation
538	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
539	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
540	CF₂Cl	difluorochloromethyl radical
541	SiF₃	Silicon trifluoride radical	²A₁	C_3v
542	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
543	CFCl₂	dichlorofluoromethyl radical
544	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
545	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
546	CBr₃	tribromomethyl radical
547	NF₃	Nitrogen trifluoride	¹A₁	C_3v
548	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
549	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
550	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
551	SF₃	Sulfur trifluoride	²A^'	C_s
552	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
553	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
554	C₄H₄N	pyrrolide radical	²A₂	C_2v
555	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
556	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
557	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
558	SF₅	Sulfur pentafluoride	²A₁	C_4v
559	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
560	C₆H₅O	phenoxy radical	²B₁	C_2v
561	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
562	C₆H₅CHO	benzaldehyde	¹A^'	C_s

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He	Helium atom	he
10	HeH	Helium hydride	heh
11	Li^-	Lithium atom anion	li-
12	Na⁺	Sodium atom cation	na+
13	Cu	Copper atom	cu
14	LiH	Lithium Hydride	lih
15	LiH^-	lithium hydride anion	lih-
16	NaH	sodium hydride	nah
17	NaH^-	sodium hydride anion	nah-
18	Be	Beryllium atom	be
19	Be^-	Beryllium atom anion	be-
20	Mg	Magnesium atom	mg
21	Ca	Calcium atom	ca
22	Zn	Zinc atom	zn
23	Zn^-	Zinc atom anion	zn-
24	Zn⁺	Zinc atom cation	zn+
25	BeH^-	berylium monohydride anion	beh-
26	BeH⁺	beryllium monohydride cation	beh+
27	MgH^-	magnesium monohydride anion	mgh-
28	MgH⁺	magnesium monohydride cation	mgh+
29	CaH	Calcium monohydride	cah
30	CaH⁺	Calcium monohydride cation	cah+
31	ZnH⁺	Zinc, protonated	znh+
32	BeH₂	beryllium dihydride	beh2
33	MgH₂	magnesium dihydride	mgh2
34	CaH₂	Calcium Hydride	cah2
35	ZnH₂	Zinc hydride	znh2
36	B^-	Boron atom anion	b-
37	BH	Boron monohydride	bh
38	BH^-	boron monohydride anion	bh-
39	BH⁺	boron monohydride cation	bh+
40	AlH	aluminum monohydride	alh
41	AlH^-	aluminum monohydride anion	alh-
42	AlH⁺	aluminum monohydride cation	alh+
43	ScH	Scandium monohydride	sch
44	GaH	Gallium monohydride	gah
45	BH₂	boron dihydride	bh2
46	BH₂⁺	Boron dihydride cation	bh2+
47	AlH₂	aluminum dihydride	alh2
48	BH₃	boron trihydride	bh3
49	BH₃^-	boron trihydride anion	bh3-
50	AlH₃	aluminum trihydride	alh3
51	GaH₃	Gallium trihydride	gah3
52	AlH₄^-	Aluminum tetrahydride anion	alh4-
53	C^-	Carbon atom anion	c-
54	Ti	Titanium atom	ti
55	Ti^-	Titanium atom anion	ti-
56	Ti⁺	Titanium atom cation	ti+
57	Ge⁺	Germanium cation	ge+
58	Sn	Tin atom	sn
59	Sn⁺	Tin cation	sn+
60	CH^-	methylidyne anion	ch-
61	CH⁺	Methylidyne cation	ch+
62	SiH⁺	silicon monohydride cation	sih+
63	GeH⁺	Germaniun monohyrdide cation	geh+
64	SiH₂	silicon dihydride	sih2
65	CH₃^-	methyl anion	ch3-
66	CH₃⁺	methyl cation	ch3+
67	CD₄	methane-d4	cd4
68	CH₂D₂	methane-d2	ch2d2
69	CH₃D	methane-d	ch3d
70	CH₄	Methane	ch4
71	CH₄^-	Methane anion	ch4-
72	CH₄⁺	Methane cation	ch4+
73	CHD₃	methane-d3	chd3
74	SiH₂D₂	silane-d2	sih2d2
75	SiH₄	Silane	sih4
76	SiH₄⁺	Silane cation	sih4+
77	GeH₄	Germane	geh4
78	SnH₄	Stannane	snh4
79	SiH₅⁺	Silane, protonated	sih5+
80	As⁺	Arsenic cation	as+
81	Sb	Antimony atom	sb
82	NH	Imidogen	nh
83	NH^-	Imidogen anion	nh-
84	NH⁺	imidogen cation	nh+
85	PH^-	phosphorus monohydride anion	ph-
86	PH⁺	phosphorus monohydride cation	ph+
87	AsH⁺	Arsenic monohydride cation	ash+
88	SbH	Antimony monohydride	sbh
89	ND₂	Amidogen-d2	nd2
90	NH₂^-	amino anion	nh2-
91	PH₂	Phosphino radical	ph2
92	AsH₂⁺	Arsenic dihydride cation	ash2+
93	ND₃	Ammonia-d3	nd3
94	NH₃	Ammonia	nh3
95	PH₃	Phosphine	ph3
96	AsH₃	Arsine	ash3
97	SbH₃	Stibine	sbh3
98	AsH₄⁺	Arsonium	ash4+
99	NH₄⁺	ammonium cation	nh4+
100	PH₄⁺	phosphonium cation	ph4+
101	Cr	Chromium atom	cr
102	Te	Tellurium atom	te
103	Te⁺	Tellurium atom cation	te+
104	DO	Hydroxyl-d	od
105	DS	Mercapto-d	ds
106	HSe^-	selenium monohydride anion	hse-
107	TeH	Telluryl radical	teh
108	D₂O	Deuterium oxide	d2o
109	H₂O	Water	h2o
110	HDO	Water-d1	hdo
111	D₂S	Hydrogen sulfide-d2	d2s
112	H₂S	Hydrogen sulfide	h2s
113	H₂S^-	Hydrogen sulfide anion	h2s-
114	H₂Te	Hydrogen Telluride	h2te
115	H₃O⁺	hydronium cation	h3o+
116	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
117	Mn	Manganese atom	mn
118	I	Iodine atom	iodine
119	I^-	Iodine atom anion	iodine-
120	I⁺	Iodine atom cation	iodine+
121	DF	Hydrofluoric acid-d	df
122	HF	Hydrogen fluoride	hf
123	DCl	Hydrochloric acid-d	dcl
124	HCl	Hydrogen chloride	hcl
125	HBr	hydrogen bromide	hbr
126	HI	Hydrogen iodide	hi
127	H₂F⁺	dihydrogen fluoride cation	h2f+
128	H₂Br⁺	protonated hydrogen bromide	h2br+
129	H₂I⁺	Iodonium	h2i+
130	Ne	Neon atom	ne
131	Ar	Argon atom	ar
132	Fe	Iron atom	fe
133	Xe	Xenon atom	xe
134	HeLi⁺	Helium Lithium cation	heli+
135	NeH⁺	neon hydrogen cation	neh+
136	KrH⁺	Protonated Krypton	krh+
137	XeH⁺	Xenon, protonated	xeh+
138	H₂Ar	H2 Ar dimer	h2ar
139	Co	Cobalt atom	cobalt
140	Ni	Nickel atom	ni
141	Li₂	Lithium diatomic	li2
142	Li₂^-	lithium diatomic anion	li2-
143	Li₂⁺	lithium diatomic cation	li2+
144	NaLi	lithium sodium	lina
145	NaLi^-	lithium sodium anion	lina-
146	NaLi⁺	lithium sodium cation	lina+
147	LiK	Lithium Potassium	lik
148	Na₂	Sodium diatomic	na2
149	NaK	Sodium Potassium	nak
150	K₂	Potassium diatomic	k2
151	Cu₂	Copper diatomic	cu2
152	Be₂	Beryllium diatomic	be2
153	Be₂⁺	Beryllium diatomic cation	be2+
154	BeMg	Beryllium Magnesium	bemg
155	Mg₂	Magnesium diatomic	mg2
156	Mg₂^-	magnesium diatomic anion	mg2-
157	Mg₂⁺	magnesium diatomic cation	mg2+
158	Ca₂	Calcium diatomic	ca2
159	LiAl	Lithium Aluminum	lial
160	B₂^-	Boron diatomic anion	b2-
161	B₂⁺	Boron diatomic cation	b2+
162	Al₂	Aluminum diatomic	al2
163	Al₂^-	aluminum diatomic anion	al2-
164	Al₂⁺	aluminum diatomic cation	al2+
165	LiBH₄	Lithium borohydride	libh4
166	B₂H₄	Diborane(4) D2d	b2h4
167	HBHHBH	Diborane(4) C2V	hbhhbh
168	B₂H₆	Diborane	b2h6
169	Al₂H₆	dialane	al2h6
170	Ga₂H₆	digallane	ga2h6
171	BC⁺	boron monocarbide cation	bc+
172	C₂	Carbon diatomic	c2
173	C₂^-	carbon diatomic anion	c2-
174	Si₂	Silicon diatomic	si2
175	Si₂^-	silcon diatomic anion	si2-
176	Si₂⁺	silcon diatomic cation	si2+
177	C₂H^-	Ethynyl anion	c2h-
178	C₂H⁺	Ethynyl cation	c2h+
179	C₂H₂	Acetylene	c2h2
180	CCH₂	vinylidene	vinylidene
181	Si₂H₂	disilyne	si2h2
182	CH₃Li	methyl lithium	ch3li
183	CuCH₃	monomethyl copper	cuch3
184	CH₂BH	methyleneborane	ch2bh
185	C₂H₃^-	vinyl anion	c2h3-
186	C₂H₄	Ethylene	c2h4
187	CH₂SiH₂	silaethylene	ch2sih2
188	Si₂H₄	Disilene	si2h4
189	CH₃BH₂	methylborane	ch3bh2
190	C₂H₅^-	Ethyl anion	c2h5-
191	C₂H₅⁺	Ethyl cation	c2h5+
192	C₂H₆	Ethane	c2h6
193	C₂H₆⁺	ethane cation	c2h6+
194	CH₃SiH₃	methyl silane	ch3sih3
195	Si₂H₆	disilane	si2h6
196	GeH₃CH₃	methyl germane	geh3ch3
197	C₂H₇⁺	Ethane, protonated	c2h7+
198	BeN⁺	Beryllium mononitride cation	ben+
199	BN^-	boron nitride anion	bn-
200	AlN^-	aluminum mononitride anion	aln-
201	AlN⁺	aluminum mononitride cation	aln+
202	BN⁺	boron nitride cation	bn+
203	AlN	Aluminum nitride	aln
204	CN^-	cyanide anion	cn-
205	CN⁺	Cyano cation	cn+
206	CP	Carbon monophosphide	cp
207	CP^-	carbon monophosphide anion	cp-
208	CP⁺	carbon monophosphide cation	cp+
209	SiN	Silicon nitride	sin
210	SiN^-	silicon mononitride anion	sin-
211	SiN⁺	silicon mononitride cation	sin+
212	TiN	Titanium mononitride	tin
213	N₂	Nitrogen diatomic	n2
214	PN	Phosphorus mononitride	pn
215	PN^-	phosphorus nitride anion	pn-
216	PN⁺	phosphorus nitride cation	pn+
217	P₂	Phosphorus diatomic	p2
218	P₂^-	phosphorus diatomic anion	p2-
219	P₂⁺	phosphorus diatomic cation	p2+
220	AsN	Arsenic mononitride	asn
221	AsP	Arsenic monophosphide	asp
222	SbN	Antimony nitride	sbn
223	As₂	Arsenic diatomic	as2
224	HNC	hydrogen isocyanide	hnc
225	HCN	Hydrogen cyanide	hcn
226	HCN^-	Hydrogen cyanide anion	hcn-
227	HCP	Phosphaethyne	hcp
228	NNH	Dinitrogen monohydride	nnh
229	NNH⁺	Dinitrogen monohydride cation	nnh+
230	HPO	Hydrogen phosphorus oxide	hpo
231	LiNH₂	lithium amide	linh2
232	HBNH	Boranimine	hbnh
233	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
234	HCNH⁺	N-protonated HCN	hcnh+
235	H₂NN	Isodiazene	h2nn
236	N₂H₂	(E)-diazene	n2h2
237	N₂H₂	(Z)-Diazene	n2h2z
238	CH₂NH	Methanimine	ch3n
239	CHNH₂	aminomethylene	chnh2
240	CH₂PH	Phosphaethene	ch3p
241	BH₂NH₂	Boranamine	bh2nh2
242	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
243	N₂H₄	Hydrazine	n2h4
244	P₂H₄	Diphosphine	p2h4
245	CH₃NH₂	methyl amine	ch3nh2
246	CH₃PH₂	Methyl phosphine	ch3ph2
247	SiH₃NH₂	Silane, amino	sih3nh2
248	N₂H₅⁺	protonated hydrazine	n2h5+
249	BH₃PH₃	borane phosphine	bh3ph3
250	BH₃NH₃	borane ammonia	bh3nh3
251	CH₃NH₃⁺	protonated methylamine	ch3nh3+
252	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
253	NH₃NH₃	Ammonia Dimer	nh3nh3
254	N₂H₇⁺	ammonia ammonium dimer	n2h7+
255	NaO^-	sodium oxide anion	nao-
256	NaO⁺	sodium oxide cation	nao+
257	CuO	Copper Monoxide	cuo
258	BeO	beryllium oxide	beo
259	BeS	beryllium sulfide	bes
260	MgO	magnesium oxide	mgo
261	MgO^-	magnesium oxide anion	mgo-
262	MgO⁺	magnesium oxide cation	mgo+
263	CaO	Calcium monoxide	cao
264	MgS	magnesium sulfide	mgs
265	MgS^-	magnesium sulfide anion	mgs-
266	MgS⁺	magnesium sulfide cation	mgs+
267	CaS	Calcium sulfide	cas
268	ZnO	zinc monoxide	zno
269	ZnS	Zinc sulfide	zns
270	BeS^-	Beryllium monosulfide anion	bes-
271	BeS⁺	Beryllium monosulfide cation	bes+
272	AlO	Aluminum monoxide	alo
273	AlO^-	Aluminum monoxide anion	alo-
274	AlO⁺	aluminum monoxide cation	alo+
275	BS	boron sulfide	bs
276	BS^-	boron monosulfide anion	bs-
277	BS⁺	boron monosulfide cation	bs+
278	AlS	Aluminum sulfide	als
279	AlS^-	aluminum monosulfide anion	als-
280	AlS⁺	aluminum monosulfide cation	als+
281	BO⁺	boron monoxide cation	bo+
282	CO	Carbon monoxide	co
283	CS	carbon monosulfide	cs
284	CS^-	carbon monosulfide anion	cs-
285	CS⁺	carbon monosulfide cation	cs+
286	SiO	Silicon monoxide	sio
287	SiO^-	silicon monoxide anion	sio-
288	SiO⁺	silicon monoxide cation	sio+
289	SiS	silicon monosulfide	sis
290	SiS^-	silicon monosulfide anion	sis-
291	SiS⁺	silicon monosulfide cation	sis+
292	CSe	Carbon monoselenide	cse
293	CSe^-	Carbon monoselenide anion	cse-
294	CSe⁺	Carbon monoselenide cation	cse+
295	GeO	Germanium monoxide	geo
296	GeS	Germanium monosulfide	ges
297	SiSe	Silicon Monoselenide	sise
298	GeSe	Germanium monoselenide	gese
299	NO⁺	nitric oxide cation	no+
300	NS⁺	nitrogen sulfide cation	ns+
301	PO^-	phosphorus monoxide anion	po-
302	PO⁺	phosphorus monoxide cation	po+
303	PS^-	phosphorus monosulfide anion	ps-
304	PS⁺	phosphorus monosulfide cation	ps+
305	O₂^--	dioxygen dianion	o2--
306	SO^-	sulfur monoxide anion	so-
307	S₂^-	sulfur diatomic anion	s2-
308	S₂⁺	sulfur diatomic cation	s2+
309	SeO^-	selenium monoxide anion	seo-
310	SeO⁺	selenium monoxide cation	seo+
311	SeS	Selenium monosulfide	ses
312	SeS^-	selenium monosulfide anion	ses-
313	SeS⁺	selenium monosulfide cation	ses+
314	TeO	Tellurium monoxide	teo
315	Se₂^-	selenium diatomic anion	se2-
316	Se₂⁺	selenium diatomic cation	se2+
317	Te₂	Tellurium diatomic	te2
318	LiOH	lithium hydroxide	lioh
319	NaOH	sodium hydroxide	naoh
320	KOH	Potassium hydroxide	koh
321	MgOH	magnesium hydroxide	mgoh
322	CaOH	Calcium monohydroxide	caoh
323	HBO	Boron hydride oxide	hbo
324	HBS	hydrogen boron sulfide	hbs
325	COH⁺	Carbon Monoxide, protonated	coh+
326	HCS	Thioformyl radical	hcs
327	HCS^-	Thioformyl anion	hcs-
328	HNS	Sulfur imide	hns
329	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
330	H₂CO	Formaldehyde	h2co
331	HOCH	hydroxycarbene	hoch
332	H₂CS	Thioformaldehyde	h2cs
333	H₂CSe	Selenoformaldehyde	h2cse
334	H₂O₂	Hydrogen peroxide	h2o2
335	H₂OO	water oxide	h2oo
336	HOSH	hydrogen thioperoxide	hosh
337	H₂S₂	Disulfane	h2s2
338	H₂Se₂	hydrogen diselenide	h2se2
339	CH₂OH⁺	hydroxymethyl cation	ch2oh+
340	CH₃O	Methoxy radical	ch3o
341	CH₃O^-	methoxy anion	ch3o-
342	CH₃S	thiomethoxy	ch3s
343	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
344	NH₂OH	hydroxylamine	nh2oh
345	NH₃O	Ammonia Oxide	nh3o
346	H₂POH	Phosphinous acid	h2poh
347	H₃PO	Phosphine oxide	h3po
348	NH₂SH	Thiohydroxylamine	nh2sh
349	NH₃S	sulfidoazane	nh3s
350	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
351	CH₃OH	Methyl alcohol	ch3oh
352	CH₃SH	Methanethiol	ch3sh
353	SiH₃OH	silanol	sih3oh
354	CH₃SeH	Methane selenol	ch3seh
355	H₂OH₂O	water dimer	h2oh2o
356	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
357	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
358	H₂ONH₃	Water Ammonia Dimer	h2onh3
359	H₅O₂⁺	Dihydroxonium ion	h5o2+
360	LiF	lithium fluoride	lif
361	LiCl	lithium chloride	licl
362	LiCl^-	lithium chloride anion	licl-
363	LiCl⁺	lithium chloride cation	licl+
364	NaF	sodium fluoride	naf
365	NaF^-	sodium fluoride anion	naf-
366	KF	Potassium Fluoride	kf
367	NaCl	Sodium Chloride	nacl
368	NaCl^-	sodium chloride anion	nacl-
369	NaCl⁺	sodium chloride cation	nacl+
370	KCl	Potassium Chloride	kcl
371	CuF	Copper monofluoride	cuf
372	LiBr	Lithium Bromide	libr
373	LiBr^-	lithium bromide anion	libr-
374	LiBr⁺	lithium bromide cation	libr+
375	CuCl	Copper monochloride	cucl
376	NaBr	Sodium Bromide	nabr
377	NaBr^-	sodium bromide anion	nabr-
378	NaBr⁺	sodium bromide cation	nabr+
379	KBr	Potassium Bromide	kbr
380	LiI	Lithium Iodide	lii
381	NaI	Sodium Iodide	nai
382	KI	Potassium Iodide	ki
383	BeF	Beryllium monofluoride	bef
384	BeCl	beryllium monochloride	becl
385	MgF	Magnesium monofluoride	mgf
386	MgF^-	magnesium fluoride anion	mgf-
387	MgF⁺	magnesium fluoride cation	mgf+
388	CaF	Calcium monofluoride	caf
389	MgCl	magnesium monochloride	mgcl
390	MgCl^-	magnesium monochloride anion	mgcl-
391	MgCl⁺	magnesium monochloride cation	mgcl+
392	CaCl	calcium monochloride	cacl
393	ZnF^-	Zinc monofluoride anion	znf-
394	ZnF⁺	Zinc monofluoride cation	znf+
395	BeCl^-	beryllium monochloride anion	becl-
396	BeCl⁺	beryllium monochloride cation	becl+
397	BF	Boron monofluoride	bf
398	BF^-	Boron monofluoride anion	bf-
399	BF⁺	Boron monofluoride cation	bf+
400	AlF	Aluminum monofluoride	alf
401	AlF^-	Aluminum monofluoride anion	alf-
402	AlF⁺	Aluminum monofluoride cation	alf+
403	BCl	boron monochloride	bcl
404	BCl^-	boron monochloride anion	bcl-
405	BCl⁺	boron monochloride cation	bcl+
406	AlCl	Aluminum monochloride	alcl
407	AlCl^-	aluminum monochloride anion	alcl-
408	AlCl⁺	aluminum monochloride cation	alcl+
409	ScF	Scandium monofluoride	scf
410	BBr	Boron monobromide	bbr
411	AlBr	Aluminum monobromide	albr
412	AlI	Aluminum monoiodide	ali
413	GaBr	Gallium monobromide	gabr
414	CF^-	carbon monofluoride anion	cf-
415	CF⁺	carbon monofluoride cation	cf+
416	CCl	carbon monochloride	ccl
417	CCl^-	carbon monochloride anion	ccl-
418	CCl⁺	carbon monochloride cation	ccl+
419	SiF⁺	silicon monofluoride cation	sif+
420	SiCl^-	silicon monochloride anion	sicl-
421	SiCl⁺	silicon monochloride cation	sicl+
422	GeF⁺	Germanium monofluoride cation	gef+
423	GeCl⁺	Germanium monochloride cation	gecl+
424	NF	nitrogen fluoride	nf
425	NF^-	nitrogen monofluorine anion	nf-
426	NF⁺	nitrogen monofluoirde cation	nf+
427	PF	phosphorus monofluoride	pf
428	PF^-	phosphorus monofluoride anion	pf-
429	PF⁺	phosphorus monofluoride cation	pf+
430	PCl	phosphorus chloride	pcl
431	PCl^-	phosphorus monochloride anion	pcl-
432	PCl⁺	phosphorus monochloride cation	pcl+
433	SbF	Antimony monofluoride	sbf
434	SbCl	Antimony monochloride	sbcl
435	FO^-	flourine oxide anion	fo-
436	FO⁺	fluorine monoxide cation	fo+
437	ClO^-	chlorine monoxide anion	clo-
438	SF^-	sulfur monofluoride anion	sf-
439	SCl^-	sulfur monochloride anion	scl-
440	BrO^-	Bromine monoxide anion	bro-
441	IO	Iodine monoxide	io
442	BrCl	Bromine monochloride	brcl
443	F₂	Fluorine diatomic	f2
444	ClF	Chlorine monofluoride	clf
445	ClF^-	clorine monofluoride anion	clf-
446	Cl₂	Chlorine diatomic	cl2
447	BrF	Bromine monofluoride	brf
448	BrF^-	bromine fluoride anion	brf-
449	BrF⁺	bromine fluoride cation	brf+
450	BrCl^-	bromine chloride anion	brcl-
451	BrCl⁺	bromine chloride cation	brcl+
452	IF	Iodine monofluoride	if
453	Br₂	Bromine diatomic	br2
454	ICl	Iodine monochloride	icl
455	IBr	Iodine monobromide	ibr
456	I₂	Iodine diatomic	i2
457	HCF	Fluoromethylene	hcf
458	HCCl	Chloromethylene	hccl
459	HSiF	fluorosilylene	hsif
460	HSiCl	Chlorosilylene	hsicl
461	HSiBr	monobromosilylene	hsibr
462	CHBr	bromomethylene	chbr
463	HOF	Hypofluorous acid	hfo
464	DOCl	Hypochlorous acid-d	docl
465	HOCl	hypochlorous acid	hocl
466	HOBr	Hypobromous acid	hobr
467	HOI	Hypoiodous acid	hoi
468	F₂H⁺	Fluorine, protonated	f2h+
469	FHF	Hydrogen difluoride	fhf
470	FHF^-	Hydrogen difluoride anion	fhf-
471	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
472	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
473	Cl₂H⁺	Chlorine, protonated	cl2h+
474	CH₂F⁺	fluoromethyl cation	ch2f+
475	CH₂Cl⁺	chloromethyl cation	ch2cl+
476	NH₂F	monofluoroamine	nh2f
477	NH₂Cl	chloramine	nh2cl
478	H₂F₂	Hydrogen fluoride dimer	h2f2
479	CD₃F	methylfluoride-d3	cd3f
480	CH₃F	Methyl fluoride	ch3f
481	CD₃Cl	methyl chloride d3	cd3cl
482	CH₃Cl	Methyl chloride	ch3cl
483	SiH₃F	monofluorosilane	sih3f
484	SiH₃Cl	chlorosilane	sih3cl
485	GeH₃F	monofluorogermane	geh3f
486	GeH₃Cl	monochlorogermane	geh3cl
487	SiH₃Br	bromosilane	sih3br
488	CH₃I	methyl iodide	ch3i
489	SiH₃I	Silyl Iodide	sih3i
490	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
491	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
492	NH₄Cl	Ammonium chloride	nh4cl
493	LiNe⁺	Lithium Neon cation	line+
494	Ne₂	Neon diatomic	ne2
495	Ar₂	Argon diatomic	ar2
496	Li₃⁺	Lithium trimer cation	li3+
497	C₃⁺	carbon trimer cation	c3+
498	SiC₂	Silicon dicarbide	sic2
499	C₃H₃	Propargyl radical	propargyl
500	C₃H₃^-	Propargyl anion	c3h3-
501	C₃H₄	cyclopropene	cprop
502	CH₂CCH₂	allene	allene
503	CH₃CCH	propyne	propyne
504	C₃H₅	Allyl radical	allyl
505	C₃H₅⁺	Allyl cation	allyl+
506	Zn(CH₃)₂	dimethyl zinc	dmz
507	C₃H₆	Cyclopropane	c3h6
508	CH₂CHCH₃	Propene	propene
509	C₃H₇⁺	cyclopropane, protonated	c3h7+
510	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
511	C₃H₈	Propane	propane
512	SiH₂(CH₃)₂	dimethylsilane	dms
513	Si₃H₈	trisilane	si3h8
514	NaCN	Sodium Cyanide	nacn
515	CuCN	Copper cyanide	cucn
516	AlCN	Aluminum monocyanide	alcn
517	AlNC	Aluminum isocyanide	alnc
518	CN₂	3H-Diazirin-3-ylidene	cn2
519	N₃^-	azide anion	n3-
520	HCNN	diazomethyl radical	hcnn
521	HNCNH	diiminomethane	hncnh
522	CH₂N₂	diazirine	ch2n2
523	CH₂NN	diazomethane	ch2nn
524	NH₂CN	cyanamide	cyanamide
525	HNNNH⁺	1,2-Triazadienium	n2h3+
526	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
527	CH₃CN	Acetonitrile	ch3cn
528	CH₃CN⁺	Acetonitrile cation	ch3cn+
529	CH₃NC	methyl isocyanide	ch3nc
530	CHNCH₂	2H-Azirine	c157164
531	CHNHCH	1H-Azirine	chnhch
532	H₂CCNH	Ethenimine	ch2cnh
533	H₂CNCH	methyleneaminomethylene	ch2nch
534	HCCNH₂	Ethynamine	hccnh2
535	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
536	NCNH₃⁺	Cyanamide, protonated	ncnh3+
537	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
538	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
539	NHCHNH₂	aminomethanimine	cn2h4
540	C₂H₅N	Aziridine	c2h5n
541	CH₂CHNH₂	aminoethene	aminoethene
542	CH₂NCH₃	N-methylmethanimine	nmm
543	CH₃CHNH	ethanimine	ethanimine
544	NH₂BHNH₂	diaminoborane	nh2bhnh2
545	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
546	C₂H₆N⁺	aziridine, protonated	c2h6n+
547	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
548	CH₃CH₂NH₂	Ethylamine	etam
549	CH₃NHCH₃	Dimethylamine	ch3nhch3
550	CH₃PHCH₃	dimethylphosphine	ch3phch3
551	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
552	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
553	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
554	Li₂O	dilithium oxide	li2o
555	Li₂S	dilithium sulfide	li2s
556	Na₂O	disodium monoxide	na2o
557	Na₂S	Sodium sulfide	na2s
558	CNO^-	fulminate	cno-
559	NCO^-	cyanate	nco-
560	SCN^-	thiocyanide anion	scn-
561	BO₂	Boron dioxide	bo2
562	BO₂^-	Boron dioxide anion	bo2-
563	N₂O	Nitrous oxide	n2o
564	NNS	Nitrogen sulfide	nns
565	PPO	Phosphorus oxide phosphide	ppo
566	CO₂	Carbon dioxide	co2
567	OCS	Carbonyl sulfide	cos
568	SiO₂	silicon dioxide	sio2
569	CS₂	Carbon disulfide	cs2
570	CS₂⁺	Carbon disulfide cation	cs2+
571	TiO₂	Titanium dioxide	tio2
572	SiS₂	Silicon disulfide	sis2
573	GeO₂	Germanium dioxide	geo2
574	OCSe	Carbonyl selenide	ocse
575	SCSe	Carbon sulfide selenide	scse
576	GeS₂	Germanium disulfide	ges2
577	CSe₂	Carbon diselenide	cse2
578	SCTe	Carbon sulfide Telluride	scte
579	PO₂	Phosphorus dioxide	po2
580	PO₂^-	Phosphorus dioxide anion	po2-
581	O₃	Ozone	o3
582	SSO	Disulfur monoxide	sso
583	S₃	Sulfur trimer	s3
584	SeO₂	Selenium dioxide	seo2
585	TeO₂	Tellurium Dioxide	teo2
586	CS₂H⁺	Carbon disulfide, protonated	cs2h+
587	HCNO	fulminic acid	hcno
588	HNCO	Isocyanic acid	hnco
589	HOCN	cyanic acid	hocn
590	HNCS	Isothiocyanic acid	hncs
591	HSCN	thiocyanic acid	hscn
592	HCO₂^-	formate anion	hco2-
593	HNNO	nitrosoazane	hnno
594	HNNO⁺	Nitrous oxide, N-protonated	hnno+
595	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
596	HNO₂	Nitrous acid	hno2
597	O₃H⁺	protonated ozone	o3h+
598	SO₂H⁺	protonated sulfur dioxide	so2h+
599	C₂H₂O	Oxirene	oxirene
600	CH₂CO	Ketene	ch2co
601	HCCOH	ethynol	hccoh
602	CH₂CS	Thioketene	ch2cs
603	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
604	NH₂NO	Nitrosamide	nh2no
605	CH₂O₂	Dioxirane	diox
606	H₂COO	Dioxymethyl radical	h2coo
607	H₂COO⁺	dioxymethyl cation	h2coo+
608	HCOOH	Formic acid	ch2o2
609	H₂O₃	Hydrogen trioxide	h2o3
610	HSSSH	trisulfane	hsssh
611	NaOCH₃	Sodium methoxide	naoch3
612	CH₂BOH	hydroxy(methylene)borane	ch2boh
613	BH₃CO	Borane carbonyl	bh3co
614	CH₃BO	Borane, methyloxo-	ch3bo
615	CH₂COH⁺	ketene, protonated	ch2coh+
616	CH₃CO	Acetyl radical	ch3co
617	CH₃CO^-	Acetyl anion	ch3co-
618	CH₃CO⁺	acetyl cation	ch3co+
619	CH₂NOH	formaldoxime	ch2noh
620	CH₃NO	nitrosomethane	ch3no
621	CHONH₂	formamide	formamide
622	CNOH₃	1,2-oxaziridine	cnoh3
623	HOCHNH	hydroxymethylimine	hochnh
624	CHSNH₂	thioformamide	chsnh2
625	NHCHSH	Methanimidothioic acid	nhchsh
626	CH₃OO	methylperoxy radical	ch3oo
627	CH₃OO^-	methylperoxy anion	ch3oo-
628	CH₃OO⁺	methylperoxy cation	ch3oo+
629	C₂H₄O	Ethylene oxide	c2h4o
630	CH₂CHOH	ethenol	ch2choh
631	CH₃CHO	Acetaldehyde	ch3cho
632	C₂H₄S	Thiirane	thiirane
633	CH₂CHSH	Ethenethiol	ch2chsh
634	CH₃CHS	Thioacetaldehyde	ch3chs
635	H₂CONH₂⁺	protonated formamide	h2conh2+
636	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
637	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
638	CH₂(OH)₂	methanediol	ch2o2h2
639	CH₃OOH	Methyl peroxide	ch3ooh
640	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
641	HSCH₂SH	Methanedithiol	ch4s2
642	H₂OH₂CO	water formaldehyde dimer	h2oh2co
643	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
644	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
645	NH₂CH₂OH	aminomethanol	nh2ch2oh
646	CH₃CH₂OH	Ethanol	etoh
647	CH₃OCH₃	Dimethyl ether	meome
648	CH₃CH₂SH	ethanethiol	etsh
649	CH₃SCH₃	Dimethyl sulfide	mesme
650	CH₃SeCH₃	dimethylselenide	dmse
651	CH₃OHH₂O	methanol water dimer	ch3ohh2o
652	H₂OCH₃OH	water methanol dimer	h2och3oh
653	CNF	iso cyanogen fluoride	cnf
654	FCN	Cyanogen fluoride	fcn
655	ClCN	chlorocyanogen	clcn
656	BrCN	Cyanogen bromide	brcn
657	ICN	Cyanogen iodide	icn
658	FBO	Boron monofluoride monoxide	fbo
659	BeF₂	Beryllium fluoride	bef2
660	MgF₂	Magnesium fluoride	mgf2
661	BeCl₂	Beryllium chloride	becl2
662	MgCl₂	Magnesium dichloride	mgcl2
663	CaCl₂	Calcium Chloride	cacl2
664	BeBr₂	Beryllium bromide	bebr2
665	CaBr₂	Calcium dibromide	cabr2
666	CaF₂	Calcium difluoride	caf2
667	FCO⁺	Carbonyl fluoride cation	fco+
668	FNO	Nitrosyl fluoride	fno
669	ClNO	Nitrosyl chloride	clno
670	FNS	Thionitrosyl fluoride	fns
671	FSN	Thiazyl fluoride	fsn
672	OPCl	Phosphorus oxychloride	opcl
673	BrNO	Nitrosyl bromide	brno
674	INO	Nitrosyl iodide	ino
675	CF₂	Difluoromethylene	cf2
676	CFCl	chlorofluoromethylene	cfcl
677	SiF₂	Silicon difluoride	sif2
678	CCl₂	dichloromethylene	ccl2
679	CCl₂^-	dichloromethylene anion	ccl2-
680	SiCl₂	Dichlorosilylene	sicl2
681	GeF₂	Germanium difluoride	gef2
682	GeCl₂	Germanium dichloride	gecl2
683	CBr₂	dibromomethylene	cbr2
684	FOO	Dioxygen monofluoride radical	foo
685	ClOO	chloroperoxy radical	cloo
686	ClS₂	Sulfur chloride	cls2
687	NF₂	Difluoroamino radical	nf2
688	PF₂⁺	Phosphorus difluoride cation	pf2+
689	FClO	chlorosyl fluoride	fclo
690	F₂O	Difluorine monoxide	f2o
691	ClOF	Chlorine hypofluorite	clof
692	SF₂	sulfur difluoride	sf2
693	Cl₂O	Dichlorine monoxide	cl2o
694	SCl₂	Sulfur dichloride	scl2
695	SeF₂	Selenium difluoride	sef2
696	BrOCl	Bromine hypochlorite	brocl
697	SeCl₂	Selenium Dichloride	secl2
698	SBr₂	Sulfur dibromide	sbr2
699	SeBr₂	Selenium dibromide	sebr2
700	BrOBr	Bromine oxide	brobr
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	COHCl	Formyl chloride	cohcl
711	COHBr	Formyl bromide	cohbr
712	BHF₂	Difluoroborane	bhf2
713	BHCl₂	Borane, dichloro-	bhcl2
714	CHF₂⁺	difluoromethyl cation	chf2+
715	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
716	CHCl₂⁺	dichloromethyl cation	chcl2+
717	HOClO	Chlorous acid	hoclo
718	NHF₂	difluoramine	nhf2
719	NHCl₂	dichloroamine	nhcl2
720	CH₂F₂	Methane, difluoro-	ch2f2
721	CH₂FCl	fluorochloromethane	ch2fcl
722	SiH₂F₂	difluorosilane	sih2f2
723	CH₂Cl₂	Methylene chloride	ch2cl2
724	CH₂BrF	Methane, bromofluoro-	ch2fbr
725	CH₂BrCl	Methane, bromochloro-	ch2clbr
726	CH₂FI	fluoroiodomethane	ch2fi
727	CH₂Br₂	dibromomethane	ch2br2
728	CH₂ClI	chloroiodomethane	ch2cli
729	CH₂BrI	bromoiodomethane	ch2bri
730	CH₂I₂	Diiodomethane	ch2i2
731	SiH₂Cl₂	dichlorosilane	sih2cl2
732	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
733	CH₂CHF⁺	fluoroethene cation	ch2chf+
734	C₂H₃Cl	Ethene, chloro-	ch2chcl
735	C₂H₃Br	vinyl bromide	c2h3br
736	C₂H₃I	Vinyl iodide	c2h3i
737	CH₂FOH	fluoromethanol	ch2foh
738	CH₃OCl	methyl hypochlorite	ch3ocl
739	C₂H₅F	fluoroethane	c2h5f
740	CH₃CH₂Cl	Ethyl chloride	c2h5cl
741	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
742	C₂H₅Br	Ethyl bromide	etbr
743	C₂H₅I	Ethyl iodide	c2h5i
744	KrF₂	Krypton difluoride	krf2
745	XeF₂	Xenon difluoride	xef2
746	B₄H₁₀	Tetraborane(10)	b4h10
747	C₄⁺	Carbon tetramer cation	c4+
748	C₄H₂	Diacetylene	c4h2
749	C₂H₃CCH	1-Buten-3-yne	c2h3cch
750	C₄H₄	cyclobutadiene	cbd
751	C₄H₄	Tetrahedrane	c4h4
752	H₂CCCCH₂	Butatriene	h2cccch2
753	C₄H₆	1-Methylcyclopropene	c3100047
754	C₄H₆	Cyclobutene	c822355
755	C₄H₆	Methylenecyclopropane	c6142730
756	CH₂CCHCH₃	1,2-Butadiene	butad12
757	CH₂CHCHCH₂	1,3-Butadiene	c106990
758	CH₃CCCH₃	2-Butyne	c503173
759	CHCCH₂CH₃	1-Butyne	c107006
760	CH₃CHCHCH₂	methylallyl radical	c4h7
761	C₄H₈	methylcyclopropane	mcp
762	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
763	CH₂CHCH₂CH₃	1-Butene	bute1
764	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
765	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
766	B(CH₃)₃	trimethylborane	bme3
767	Al(CH₃)₃	trimethyl aluminum	tma
768	C(CH₃)₃	Tert-butyl radical	tbutyl
769	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
770	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
771	CH₃CH(CH₃)CH₃	Isobutane	isobutane
772	CH₃CH₂CH₂CH₃	Butane	butane
773	SiH(CH₃)₃	trimethylsilane	trimsi
774	Li₃N	trilithium nitride	li3n
775	C₂N₂	Cyanogen	c2n2
776	P₄	Phosphorus tetramer	p4
777	As₄	Arsenic tetramer	as4
778	HCCCN	Cyanoacetylene	hcccn
779	H₂CNCN	cyanamide, methylene	ch2ncn
780	HNCCNH	Ethenediimine	hnccnh
781	C₃H₃N	acrylonitrile	ch2chcn
782	CH₃N₃	methyl azide	ch3n3
783	NH₂CCNH₂	Diaminoacetylene	daa
784	NH₂CH₂CN	Aminoacetonitrile	aan
785	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
786	C₂H₅CN	ethyl cyanide	c2h5cn
787	CH₅N₃	Guanidine	guanidine
788	C₄H₆	Bicyclo[1.1.0]butane	c157335
789	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
790	H₂NCHCHNH₂	diaminoethylene	dae
791	CH₆N₃⁺	guanidinium	ch6n3+
792	C₃H₇N	Cyclopropylamine	cpram
793	CH₇N₃	triaminomethane	tam
794	C₃H₇N	Azetidine	azet
795	C₄H₈	cyclobutane	cbutane
796	C₂H₈N₂	Ethylenediamine	ethdiam
797	CH₃NHNHCH₃	dimethyl hydrazine	dmh
798	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
799	N(CH₃)₃	Trimethylamine	trimeam
800	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
801	P(CH₃)₃	trimethylphosphine	tmp
802	N(SiH₃)₃	trisilylamine	tsa
803	As(CH₃)₃	trimethyl arsine	tmas
804	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
805	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
806	Li₂O₂	dilithium dioxide	li2o2
807	Na₂O₂	disodium dioxide	na2o2
808	K₂O₂	dipotassium dioxide	k2o2
809	C₃O	Tricarbon monoxide	c3o
810	B₂O₂	Diboron dioxide	b2o2
811	ONNO	NO dimer	onno
812	S₂N₂	Disulfur dinitride	s2n2
813	CO₃	Carbon trioxide	co3
814	CO₃^--	carbonate	co3--
815	CS₃^--	Carbonotrithioate	cs3--
816	NO₃	Nitrogen trioxide	no3
817	NO₃^-	nitrate anion	no3-
818	SO₃	Sulfur trioxide	so3
819	SO₃^--	Sulfate dianion	so3--
820	SeO₃	selenium trioxide	seo3
821	S₄	Sulfur tetramer	s4
822	TeO₃	Tellurium trioxide	teo3
823	HNO₃	Nitric acid	hno3
824	NH₂NO₂	nitramide	nh2no2
825	C₂H₂CO	cyclopropenone	c2h2co
826	C₃H₂O	Propadienal	c3h2o
827	HCCCHO	2-propynal	hcccho
828	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
829	H₂CO₃	Carbonic acid	h2co3
830	H₂CS₃	thiocarbonic acid	h2cs3
831	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
832	H₂SO₃	Sulfurous acid	h2so3
833	C₂H₃NO	Nitrosoethylene	c2h3no
834	CH₃NCO	methylisocyante	ch3nco
835	HOCH₂CN	cyanomethanol	hoch2cn
836	CH₃COO^-	acetate anion	ch3coo-
837	CH₃NO₂	Methane, nitro-	ch3no2
838	CH₃ONO	Methyl nitrite	ch3ono
839	NH₂COOH	Carbamic acid	nh2cooh
840	H₃BO₃	Boric acid	h3bo3
841	H₃AlO₃	Aluminum hydroxide	h3alo3
842	H₃CO₃⁺	carbonic acid, protonated	h3co3+
843	C₃H₄O	2-Propyn-1-ol	c107197
844	C₃H₄O	allenol	c9000071
845	C₃H₄O	Cyclopropanone	cpone
846	C₃H₄O	Methylketene	c6004440
847	CH₂CHCHO	Acrolein	c3h4o
848	NH₂CONH₂	Urea	urea
849	NH₂CONH₂⁺	Urea cation	urea+
850	NH₂CSNH₂	Thiourea	thiourea
851	C₂H₄O₂	1,3-dioxetane	c2h4o2
852	CH₃COOH	Acetic acid	ch3cooh
853	CH₃OCHO	methyl formate	ch3ocho
854	CHOCH₂OH	hydroxy acetaldehyde	haa
855	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
856	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
857	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
858	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
859	HCOOHH₂O	Formic acid water dimer	hcoohh2o
860	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
861	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
862	CH₃C(OH)=NH	Ethaninidic acid	eia
863	CH₃CHNOH	Acetaldoxime	acetaldoxime
864	CH₃CONH₂	Acetamide	acetamide
865	HCONHCH₃	N-methylformamide	nmfa
866	CH₃CSNH₂	Ethanethioamide	ch3csnh2
867	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
868	H₂NCOHNH₂⁺	urea, protonated	ureah+
869	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
870	C₃H₅OH	Cyclopropanol	cproh
871	C₃H₆O	2-Propen-1-ol	c107186
872	C₃H₆O	Acetone enol	enol
873	C₃H₆O	Oxetane	oxetane
874	C₃H₆O	Propylene oxide	prox
875	CH₃CH₂CHO	Propanal	propanal
876	CH₃COCH₃	Acetone	acetone
877	C₃H₆S	Thietane	thietane
878	C₃H₆S	Thiirane, methyl-	methiirane
879	CH₃CSCH₃	Thioacetone	ch3csch3
880	C₂H₆O₂	1,2-Ethanediol	ethdiol
881	CH₃OOCH₃	dimethylperoxide	dmp
882	CH₃SOCH₃	Dimethyl sulfoxide	dmso
883	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
884	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
885	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
886	HOCH₂CH₂NH₂	monoethanolamine	mea
887	C₃H₇OH	1-Propanol	proh
888	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
889	CH₃OC₂H₅	Ethane, methoxy-	etome
890	C₃H₇SH	1-Propanethiol	prsh
891	CH₃CHSHCH₃	2-Propanethiol	isoprsh
892	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
893	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
894	Li₂F₂	Lithium fluoride dimer	li2f2
895	Na₂F₂	Sodium Fluoride Dimer	na2f2
896	Na₂Cl₂	Disodium dichloride	na2cl2
897	C₂F₂	difluoroacetylene	c2f2
898	C₂Cl₂	dichloroacetylene	c2cl2
899	FNO₂	Nitryl fluoride	fno2
900	FONO	Nitrosyl hypofluorite	fono
901	ClNO₂	Nitryl chloride	clno2
902	BrONO	Bromine nitrite	brono
903	N₂F₂	(Z)-Difluorodiazene	n2f2_z
904	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
905	CF₂O	Carbonic difluoride	f2co
906	COFCl	Carbonic chloride fluoride	cofcl
907	CCl₂O	Phosgene	cl2co
908	Cl₂CS	Thiophosgene	cl2cs
909	COBr₂	Carbonic dibromide	cobr2
910	BF₃	Borane, trifluoro-	bf3
911	AlF₃	Aluminum trifluoride	alf3
912	BClF₂	Chlorodifluoroborane	bclf2
913	AlF₂Cl	Aluminum chloride difluoride	alclf2
914	ScF₃	Scandium trifluoride	ScF3
915	AlFCl₂	Aluminum dichloride fluoride	alcl2f
916	BCl₃	Borane, trichloro-	bcl3
917	GaF₃	Gallium trifluoride	gaf3
918	AlCl₃	Aluminum trichloride	alcl3
919	GaCl₃	Gallium trichloride	gacl3
920	BBr₃	Boron tribromide	bbr3
921	AlBr₃	Aluminum Bromide	albr3
922	ClO₃	Chlorine trioxide	clo3
923	ClO₃^-	chlorate anion	clo3-
924	BrO₃^-	Bromate anion	bro3-
925	CF₃	Trifluoromethyl radical	cf3
926	CCl₃	Trichloromethyl radical	ccl3
927	SiCl₃	trichlorosilyl radical	sicl3
928	SiCl₃⁺	trichlorosilyl cation	sicl3+
929	FOOF	Perfluoroperoxide	foof
930	ClO₂F	Chloryl fluoride	clo2f
931	F₂SO	Thionyl Fluoride	f2so
932	ClOOCl	Dichlorine dioxide	cloocl
933	FSSF	Difluorodisulfane	fssf
934	S₂F₂	Thio-thionyl fluoride	s2f2
935	SOCl₂	thionyl chloride	socl2
936	SSCl₂	Thiothionyl chloride	sscl2
937	SeOCl₂	selenium oxychloride	seocl2
938	PF₃	Phosphorus trifluoride	pf3
939	NCl₃	nitrogen trichloride	ncl3
940	AsF₃	Arsenic trifluoride	asf3
941	PCl₃	Phosphorus trichloride	pcl3
942	SbF₃	Antimony Trifluoride	sbf3
943	AsCl₃	Arsenous trichloride	ascl3
944	SbCl₃	Antimony Trichloride	sbcl3
945	PBr₃	Phosphorus tribromide	pbr3
946	AsBr₃	Arsenic tribromide	asbr3
947	NI₃	Nitrogen triiodide	ni3
948	PI₃	Phosphorus triiodide	pi3
949	ClSSCl	Disulfur dichloride	s2cl2
950	ClF₃	Chlorine trifluoride	clf3
951	BrF₃	Bromine trifluoride	brf3
952	IF₃	iodone trifluoride	if3
953	HClO₃	Chloric Acid	hclo3
954	CHF₃	Methane, trifluoro-	chf3
955	CHF₂Cl	difluorochloromethane	chf2cl
956	SiHF₃	trifluorosilane	sihf3
957	CHFCl₂	fluorodichloromethane	chfcl2
958	CDCl₃	trichloromethane-d	cdcl3
959	CHCl₃	Chloroform	chcl3
960	CHBrF₂	Methane, bromodifluoro-	chbrf2
961	SiHCl₃	Trichlorosilane	sihcl3
962	CHFClBr	fluorochlorobromomethane	chfclbr
963	CHBrCl₂	Methane, bromodichloro-	chbrcl2
964	CHF₂I	difluoroiodomethane	chf2i
965	CHBr₂F	dibromofluoromethane	chbr2f
966	CHFClI	fluorochloroiodomethane	chfcli
967	CHCl₂I	dichloroiodomethane	chcl2i
968	CHClBr₂	Methane, dibromochloro-	chclbr2
969	CHBr₃	bromoform	chbr3
970	CHI₃	Iodoform	chi3
971	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
972	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
973	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
974	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
975	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
976	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
977	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
978	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
979	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
980	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
981	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
982	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
983	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
984	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
985	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
986	CH₃COF	Acetyl fluoride	ch3cof
987	CH₂ClCHO	chloroacetaldehyde	ch2clcho
988	CH₃COCl	Acetyl Chloride	ch3cocl
989	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
990	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
991	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
992	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
993	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
994	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
995	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
996	CH₂CFCH₃	2-fluoropropene	2fpro
997	CH₂CHCH₂F	Allyl Fluoride	allylf
998	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
999	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1000	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1001	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1002	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1003	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1004	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1005	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1006	CH₃CHFCH₃	2-Fluoropropane	prf2
1007	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1008	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1009	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1010	CH₃CHBrCH₃	i-propyl bromide	iprbr
1011	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1012	B₅H₉	pentaborane9	b5h9
1013	C₅H₄	pentatetraene	ptrene
1014	C₅H₅	cyclopentadienyl radical	c5h5
1015	C₅H₅^-	cylopentadienyl anion	c5h5-
1016	C₅H₆	1,3-Cyclopentadiene	c542927
1017	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1018	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1019	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1020	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1021	C₅H₆	Cyclopropylacetylene	c6746947
1022	C₅H₆	Propellane	propellane
1023	C₅H₇	1,3-pentadienyl radical	pdyl
1024	C₅H₇	cyclopentenyl radical	cpyl
1025	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1026	C₅H₈	1,2-Pentadiene	c591957
1027	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1028	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1029	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1030	C₅H₈	1,4-Pentadiene	c591935
1031	C₅H₈	1-pentyne	a1pentyne
1032	C₅H₈	2,3-Pentadiene	c591968
1033	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1034	C₅H₈	Cyclobutane, methylene-	c1120565
1035	C₅H₈	Cyclopentene	c142290
1036	C₅H₈	Ethenylcyclopropane	c693867
1037	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1038	C₅H₁₀	1-Butene, 2-methyl-	c563462
1039	C₅H₁₀	2-Butene, 2-methyl-	c513359
1040	C₅H₁₀	2-Pentene, (E)-	c646048
1041	C₅H₁₀	2-Pentene, (Z)-	c627203
1042	C₅H₁₀	Cyclopentane	c287923
1043	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1044	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1045	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1046	C₅H₁₂	Butane, 2-methyl-	buta2
1047	C₅H₁₂	Pentane	pentane
1048	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1049	Si(CH₃)₄	tetramethylsilane	tms
1050	N₂O₃	Dinitrogen trioxide	n2o3
1051	C₃H₂N₂	Malononitrile	c3h2n2
1052	CH₂N₄	1H-Tetrazole	1htz
1053	C₃H₃N₂^-	imidizolyl anion	im-
1054	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1055	C₄H₄N^-	pyrrolide anion	c4h4n-
1056	C₃H₄N₂	1H-Pyrazole	1hpyraz
1057	C₃H₄N₂	2H-Imidazole	imid2h
1058	C₃H₄N₂	4H-Imidazole	imid4h
1059	C₄H₅N	(E)-2-Butenenitrile	c627269
1060	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1061	C₄H₅N	2H-pyrrole	pyrrole2
1062	C₄H₅N	3H-pyrrole	pyrrole3
1063	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1064	C₄H₅N	Pyrrole	pyrrole
1065	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1066	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1067	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1068	C₄H₆N⁺	pyrrole, protonated	ppyr
1069	C₃H₆N₂	3-Aminopropionitrile	c151188
1070	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1071	CH₃CH₂CH₂CN	Butanenitrile	c109740
1072	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1073	C₅H₈	Spiropentane	c157404
1074	C₄H₉N	Cyclobutylamine	cbam
1075	C₄H₉N	Pyrrolidine	pyrrolidine
1076	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1077	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1078	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1079	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1080	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1081	NH(C₂H₅)₂	diethylamine	dea
1082	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1083	C₃O₂	Carbon suboxide	c3o2
1084	C₃O₂⁺	Carbon suboxide cation	c3o2+
1085	B₂O₃	diboron trioxide	b2o3
1086	MgCO₃	Magnesium Carbonate	mgco3
1087	BeCO₃	Beryllium Carbonate	beco3
1088	CaCO₃	Calcium Carbonate	caco3
1089	ONONO	Nitrosyl nitrite	onono
1090	PO₄^---	phosphate	po4---
1091	SO₄^--	sulfate	so4--
1092	HOONO₂	peroxy nitric acid	hoono2
1093	HSO₄^-	bisulfate anion	hso4-
1094	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1095	C₃H₂O₂	Propiolic acid	c3h2o2
1096	CHOCOOH	oxo acetic acid	oaa
1097	CHOOCHO	diformyl ether	choocho
1098	H₂SO₄	Sulfuric acid	h2so4
1099	H₂SeO₄	Selenic acid	h2seo4
1100	C₃H₃NO	Isoxazole	isox
1101	C₃H₃NO	Oxazole	oxazole
1102	C₃H₃NS	Thiazole	thiazole
1103	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1104	CH₃NO₃	Methyl nitrate	ch3no3
1105	H₃PO₄	Phosphoric Acid	h3po4
1106	C₄H₄O	Furan	furan
1107	C₄H₄O⁺	Furan cation	furan+
1108	CH₃COCCH	3-butyn-2-one	c1423605
1109	C₄H₄S	Thiophene	furans
1110	C₄H₄Se	selenophene	c4h4se
1111	C₃H₄O₂	β–Propiolactone	beta
1112	C₃H₄O₂	2-Propenoic acid	propenoic2
1113	C₃H₄O₂	Methyl glyoxal	megly
1114	C₃H₄O₂	propanedial	propanedial
1115	C₃H₄O₂	propenalol	propenalol
1116	HOCHCCHOH	allenediol	aldiol
1117	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1118	C₂H₄O₃	trioxolane124	triox
1119	HOCH₂COOH	Hydroxyacetic acid	hac
1120	CH₂CHCONH₂	Acrylamide	c79061
1121	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1122	CH₅N₃S	Hydrazinecarbothioamide	c79196
1123	H₂NCH₂COOH	Glycine	glycine
1124	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1125	C₄H₆O	cis-2-butenal	butenal2c
1126	C₄H₆O	Cyclobutanone	cbutone
1127	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1128	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1129	CH₂CHOCHCH₂	Vinyl ether	vinylether
1130	CHOCHCHCH₃	2-Butenal	butenal2
1131	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1132	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1133	CH₂CHSCHCH₂	Divinyl sulfide	divis
1134	C₂H₆N₂O	Urea, methyl-	c598505
1135	C₃H₆O₂	1,3-Dioxolane	dioxolane
1136	CH₃CH₂COOH	Propanoic Acid	propanoic
1137	CH₃COOCH₃	methyl acetate	aame
1138	HCOOC₂H₅	Ethyl formate	faee
1139	C₂H₆O₂S	Dimethyl sulfone	c67710
1140	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1141	C₃H₇NO	dimethylformamide	dmf
1142	C₃H₇NO	Propanamide	propanam
1143	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1144	C₄H₈O	Cyclobutanol	c2919235
1145	C₄H₈O	Furan, tetrahydro-	thf
1146	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1147	CH₃COCH₂CH₃	2-Butanone	buta2one
1148	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1149	CHOCH₂CH₂CH₃	Butanal	butanal
1150	C₄H₈S	Thiophene, tetrahydro-	tht
1151	C₃H₈O₂	1,3-Propanediol	c504632
1152	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1153	C₃H₈O₂	Methane, dimethoxy-	c109875
1154	C₃H₈O₂	Propylene glycol	c57556
1155	C₃H₈S₂	1,3-Propanedithiol	c109808
1156	C₄H₁₀O	1-Butanol	butanol1
1157	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1158	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1159	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1160	C₄H₁₀O	Ethoxy ethane	etoet
1161	C₄H₁₀O	Methyl propyl ether	meopr
1162	C₄H₁₀O	Propane, 2-methoxy-	c598538
1163	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1164	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1165	C₂H₅SC₂H₅	Diethyl sulfide	etset
1166	C₄H₉SH	1-Butanethiol	bush
1167	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1168	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1169	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1170	FNO₃	Fluorine nitrate	fno3
1171	ClONO₂	Chlorine nitrate	clono2
1172	BrONO₂	Bromine nitrate	brono2
1173	TiCl₄	Titanium tetrachloride	ticl4
1174	ClO₄^-	perchlorate anion	clo4-
1175	BF₄^-	tetrafluoroboron anion	bf4-
1176	ClFO₃	Perchloryl fluoride	clfo3
1177	SO₂F₂	Sulfuryl fluoride	so2f2
1178	SO₂Cl₂	Sulfuryl chloride	so2cl2
1179	F₃NO	Nitrogen trifluoride oxide	f3no
1180	F₃PO	Phosphoryl fluoride	pf3o
1181	Cl₃PO	Phosphoryl chloride	pcl3o
1182	CF₄	Carbon tetrafluoride	cf4
1183	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1184	SiF₄	Silicon tetrafluoride	sif4
1185	CF₂Cl₂	difluorodichloromethane	cf2cl2
1186	TiF₄	Titanium tetrafluoride	tif4
1187	CFCl₃	Trichloromonofluoromethane	cfcl3
1188	CF₃Br	Bromotrifluoromethane	cf3br
1189	GeF₄	Germanium tetrafluoride	gef4
1190	CCl₄	Carbon tetrachloride	ccl4
1191	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1192	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1193	SiCl₄	Silane, tetrachloro-	sicl4
1194	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1195	CF₃I	trifluoroiodomethane	cf3i
1196	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1197	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1198	GeCl₄	Germanium Tetrachloride	gecl4
1199	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1200	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1201	CCl₃I	trichloroiodomethane	ccl3i
1202	CFBr₃	fluorotribromomethane	cfbr3
1203	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1204	CBr₃Cl	tribromochloromethane	cbr3cl
1205	CF₂I₂	difluorodiiodomethane	cf2i2
1206	CBr₄	Carbon tetrabromide	cbr4
1207	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1208	SiBr₄	Silicon tetrabromide	sibr4
1209	CBr₃I	tribromoiododmethane	cbr3i
1210	GeBr₄	Germanium tetrabromide	gebr4
1211	CI₄	tetraiodomethane	ci4
1212	SiI₄	silicon tetraiodide	sii4
1213	ClOF₃	Chlorine trifluoride oxide	clof3
1214	SF₄	Sulfur tetrafluoride	sf4
1215	SeF₄	Selenium tetrafluoride	sef4
1216	SCl₄	Sulfur tetrachloride	scl4
1217	C₂HF₃	Trifluoroethylene	c2hf3
1218	CHClCCl₂	Trichloroethylene	chclccl2
1219	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1220	HClO₄	perchloric acid	hclo4
1221	HSO₃F	Fluorosulfonic acid	hso3f
1222	CF₃OH	trifluoromethanol	cf3oh
1223	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1224	CHClCCHCl	1,3-dichloroallene	chclcchcl
1225	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1226	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1227	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1228	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1229	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1230	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1231	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1232	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1233	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1234	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1235	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1236	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1237	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1238	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1239	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1240	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1241	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1242	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1243	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1244	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1245	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1246	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1247	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1248	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1249	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1250	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1251	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1252	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1253	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1254	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1255	C₄H₉F	1-fluorobutane	butaf1
1256	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1257	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1258	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1259	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1260	XeF₄	Xenon tetrafluoride	xef4
1261	C₂H₂N₂O	Furazan	furazan
1262	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1263	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1264	C₆H₂	hexatriyne	c6h2
1265	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1266	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1267	C₆H₄	Benzyne	benzyne
1268	C₆H₅	phenyl	phenyl
1269	C₆H₅^-	phenyl anion	phenyl-
1270	C₆H₆	Prismane	prismane
1271	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1272	C₆H₆	2,4-Hexadiyne	hexadiyne
1273	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1274	C₆H₆	Benzene	benzene
1275	C₆H₆	Benzvalene	bv
1276	C₆H₆	Dewar Benzene	dewar
1277	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1278	C₆H₆	Trimethylenecycopropane	tmcp
1279	C₆H₆⁺	Benzene cation	c6h6+
1280	C₆H₇⁺	benzene, protonated	c6h7+
1281	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1282	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1283	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1284	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1285	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1286	C₆H₈	3-Methylenecyclopentene	c930267
1287	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1288	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1289	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1290	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1291	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1292	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1293	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1294	C₆H₁₀	1,5-Hexadiene	c592427
1295	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1296	C₆H₁₀	1-Hexyne	hexyne1
1297	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1298	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1299	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1300	C₆H₁₀	2-Hexyne	c764352
1301	C₆H₁₀	3-Hexyne	hexyne3
1302	C₆H₁₀	cyclohexene	cyclohexene
1303	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1304	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1305	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1306	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1307	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1308	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1309	C₆H₁₂	(E)-2-Hexene	e2hexene
1310	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1311	C₆H₁₂	(E)-hex-3-ene	e3hexene
1312	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1313	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1314	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1315	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1316	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1317	C₆H₁₂	3-methylenepentane	c760214
1318	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1319	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1320	C₆H₁₂	Cyclohexane	cyclohexane
1321	C₆H₁₂	Cyclopentane, methyl-	c96377
1322	C₆H₁₂	Ethylcyclobutane	c4806615
1323	C₆H₁₂	hex-1-ene	hexene1
1324	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1325	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1326	C₆H₁₄	Hexane	hexane
1327	C₆H₁₄	Pentane, 2-methyl-	penta2
1328	C₆H₁₄	Pentane, 3-methyl-	penta3
1329	C₄N₂	2-Butynedinitrile	c4n2
1330	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1331	C₄H₂N₂	Fumaronitrile	c4h2n2
1332	C₂H₂N₄	sym-tetrazine	ttz
1333	C₃H₃N₃	1,3,5-Triazine	triazine135
1334	CH₃N₅	5-Aminotetrazole	c4418615
1335	C₄H₄N₂	1,3-Diazine	diazine13
1336	C₄H₄N₂	Pyrazine	pyrazine
1337	C₄H₄N₂	Pyridazine	pyridazine
1338	C₄H₄N₂	Succinonitrile	c110612
1339	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1340	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1341	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1342	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1343	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1344	C₅H₅N	Pyridine	pyridine
1345	B₃N₃H₆	borazine	borazine
1346	C₆H₆	Fulvene	fulvene
1347	C₅H₆N⁺	Pyridinium	c5h6n
1348	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1349	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1350	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1351	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1352	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1353	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1354	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1355	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1356	C₅H₉N	Pentanenitrile	c110598
1357	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1358	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1359	C₅H₁₁N	Cyclopentanamine	cypentam
1360	C₅H₁₁N	Piperidine	piper
1361	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1362	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1363	Li₂CO₃	Lithium Carbonate	li2co3
1364	Na₂CO₃	Sodium Carbonate	na2co3
1365	C₂O₄^--	oxalate anion	c2o4
1366	MgSO₄	Magnesium Sulfate	mgso4
1367	N₂O₄	Dinitrogen tetroxide	n2o4
1368	C₃H₂O₃	vinylene carbonate	vica
1369	C₂H₂O₄	Oxalic Acid	oxalic
1370	C₂H₃NO₃	Oxamic acid	oxamic
1371	C₄H₄O₂	2(5H)-Furanone	furanone
1372	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1373	C₂H₄N₂O₂	Oxalamide	oxalamide
1374	C₂H₄N₂S₂	Ethanedithioamide	c79403
1375	C₂H₄CO₃	Ethylene carbonate	etco3
1376	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1377	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1378	C₂H₄O₄	Formic acid dimer	fadimer
1379	C₄H₅NO	3-Methylisoxazole	isox3m
1380	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1381	C₄H₅NS	4-Methylthiazole	c693958
1382	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1383	C₅H₆O	2H-Pyran	pyran2
1384	C₅H₆O	2-methylfuran	furan2m
1385	C₅H₆O	3-Methylfuran	furan3m
1386	C₅H₆O	Pentadienal	pdal
1387	C₅H₆S	Thiophene, 2-methyl-	c554143
1388	C₅H₆S	Thiophene, 3-methyl-	c616444
1389	C₄H₆O₂	γ–Butyrolactone	c96480
1390	C₄H₆O₂	2,3-Butanedione	c431038
1391	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1392	C₄H₆O₂	Crotonic Acid	crot
1393	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1394	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1395	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1396	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1397	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1398	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1399	C₄H₆OS	Vinyl sulfoxide	c1115157
1400	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1401	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1402	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1403	C₃H₆O₃	1,3,5-Trioxane	trioxane
1404	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1405	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1406	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1407	C₄H₇NO	2-Pyrrolidinone	c616455
1408	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1409	C₄H₇NO	Methacrylamide	c79390
1410	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1411	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1412	C₃H₇ONO	Propyl nitrite	prono
1413	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1414	CH₃CH(NH₂)COOH	Alanine	alanine
1415	CH₃NHCH₂COOH	Sarcosine	sarcosine
1416	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1417	NH₂COOC₂H₅	Urethane	urethane
1418	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1419	C₅H₈O	Cyclopentanone	c120923
1420	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1421	C₅H₈O	Methyl cyclopropyl ketone	c765435
1422	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1423	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1424	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1425	C₄H₈O₂	1,3-Dioxane	dioxan13
1426	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1427	C₄H₈O₂	1,4-Dioxane	dioxan14
1428	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1429	C₄H₈O₂	Ethyl acetate	c141786
1430	C₄H₈OS	s-Ethyl thioacetate	c625605
1431	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1432	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1433	C₄H₉NO	Butanamide	c541355
1434	C₄H₉NO	Propanamide, 2-methyl-	c563837
1435	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1436	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1437	C₅H₁₀O	2-methylbutyraldehyde	2meba
1438	C₅H₁₀O	2-Pentanone	mpk
1439	C₅H₁₀O	3-Pentanone	dek
1440	C₅H₁₀O	Cyclopentanol	c96413
1441	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1442	C₅H₁₀O	Pentanal	pal
1443	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1444	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1445	C₅H₁₀S	Cyclopentanethiol	c1679078
1446	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1447	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1448	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1449	C₄H₁₀O₂	1,3-Butanediol	budiol13
1450	C₄H₁₀O₂	1,4-Butanediol	budiol14
1451	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1452	C₄H₁₀OS	Diethyl sulfoxide	c70291
1453	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1454	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1455	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1456	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1457	C₅H₁₂O	1-Pentanol	pentanol1
1458	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1459	C₅H₁₂O	2-Pentanol	peol2
1460	C₅H₁₂O	3-Pentanol	pentan3ol
1461	C₅H₁₂O	Butane, 1-methoxy-	meobu
1462	C₅H₁₂O	Propane, 1-ethoxy-	proet
1463	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1464	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1465	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1466	C₅H₁₂S	1-Pentanethiol	c110667
1467	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1468	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1469	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1470	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1471	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1472	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1473	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1474	C₄F₂	difluorobutadiyne	c4f2
1475	ClCOClCO	Oxalyl chloride	oxcl
1476	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1477	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1478	B₂F₄	Diboron tetrafluoride	b2f4
1479	B₂Cl₄	Diboron tetrachloride	b2cl4
1480	C₂F₄	Tetrafluoroethylene	c2f4
1481	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1482	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1483	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1484	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1485	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1486	C₂FCl₃	fluorotrichloroethene	c2fcl3
1487	C₂Cl₄	Tetrachloroethylene	c2cl4
1488	C₂Br₄	tetrabromoethene	c2br4
1489	CF₃OF	Trifluoromethylhypofluorite	cf3of
1490	SiF₅^-	silicon pentafluoride anion	sif5-
1491	SOF₄	Sulfur tetrafluoride oxide	sof4
1492	PF₅	Phosphorus pentafluoride	pf5
1493	AsF₅	Arsenic pentafluoride	asf5
1494	PCl₅	Phosphorus pentachloride	pcl5
1495	SF₅⁺	pentafluoro sulfur cation	sf5+
1496	SbCl₅	Antimony pentachloride	sbcl5
1497	BrF₅	bromine pentafluoride	brf5
1498	ClF₅	chlorinepentafluoride	clf5
1499	IF₅	pentafluoroiodine	if5
1500	CF₃CHO	trifluoroacetaldehyde	cf3cho
1501	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1502	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1503	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1504	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1505	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1506	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1507	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1508	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1509	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1510	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1511	CF₃COOH	trifluoroacetic acid	cf3cooh
1512	C₄H₃ClO	Furan, 2-chloro	fur2cl
1513	C₄H₃ClO	Furan,3-chloro	fur3cl
1514	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1515	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1516	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1517	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1518	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1519	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1520	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1521	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1522	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1523	C₄H₈O₂	Butanoic acid	bua
1524	C₆H₅CH₂	benzyl radical	benzyl
1525	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1526	C₆H₅CH₃	toluene	toluene
1527	C₇H₈	cycloheptatriene	cht
1528	C₇H₈	Norbornadiene	norbor
1529	C₇H₈	Quadricyclane	qucy
1530	C₇H₁₂	Norbornane	nor
1531	C₇H₁₄	cycloheptane	c7h14
1532	C₇H₁₆	2-methylhexane	2mhex
1533	C₇H₁₆	3-methylhexane	hex3m
1534	C₇H₁₆	heptane	heptane
1535	CH(CN)₃	tricyanomethane	mecn3
1536	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1537	C₆H₇N	2-Methylpyridine	mp
1538	C₆H₅NH₂	aniline	aniline
1539	C₆H₁₃N	2-Methylpiperidine	pip2m
1540	C₆H₁₃N	cyclohexanamine	cham
1541	C₆H₁₅N	triethylamine	tea
1542	N₂O₅	Dinitrogen pentoxide	n2o5
1543	C₄H₂O₃	Maleic Anhydride	malan
1544	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1545	C₅H₄O₂	furfural	furfural
1546	C₅H₅NO	2(1H)-Pyridinone	c72762006
1547	C₅H₅NO	2(3H)-Pyridinone	c9000048
1548	C₅H₅NO	2(5H)-Pyridinone	c9000037
1549	C₅H₅NO	2-Pyridinol	c109104
1550	C₅H₅NO	3(2H)-Pyridinone	c9000004
1551	C₅H₅NO	3(4H)-Pyridinone	c9000026
1552	C₅H₅NO	3(6H)-Pyridinone	c9000015
1553	C₅H₅NO	3-Pyridinol	c109002
1554	C₅H₅NO	4(1H)-Pryidinone	c9000060
1555	C₅H₅NO	4(3H)-Pryidinone	c9000059
1556	C₅H₅NO	4-Pyridinol	c626642
1557	C₆H₅OH	phenol	phenol
1558	C₆H₆O	2,4-Cyclohexadienone	c24599573
1559	C₆H₆O	2,5-Cyclohexadienone	c5664335
1560	C₆H₅SH	Benzenethiol	phsh
1561	HO₂CCHNH₂CH₂OH	Serine	serine
1562	C₅H₈O₂	Acetylacetone	acac
1563	C₄H₈O₂S	Sulfolane	sulfolane
1564	C₇H₁₀	Norbornene	norbornene
1565	CH(C₂H₃)₃	trivinyl methane	tvm
1566	C₆H₁₀O	cyclohexanone	chexo
1567	C₆H₁₂O	hexanal	c6h12o
1568	C₆H₁₂O	Oxepane	oxepane
1569	C₃H₇OC₃H₇	di-n-propyl ether	propr
1570	F₂CCCF₂	tetrafluoroallene	pfa
1571	CF₃COO^-	trifluoro acetate anion	cf3coo-
1572	CF₃COF	trifluoroacetyl fluoride	cf3cof
1573	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1574	PF₆^-	Hexafluorophosphate ion	pf6-
1575	SF₆	Sulfur Hexafluoride	sf6
1576	SeF₆	Selenium hexafluoride	sef6
1577	SF₅Cl	sulfur chloropentafluoride	sf5cl
1578	CF₃CHF₂	pentafluoroethane	cf3chf2
1579	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1580	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1581	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1582	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1583	C₆H₅F	Fluorobenzene	bzf
1584	C₆H₅Cl	chlorobenzene	bzcl
1585	C₆H₅Br	bromobenzene	bzbr
1586	C₈H₆	Calicene	calicene
1587	C₆H₅CCH	phenylacetylene	phac
1588	C₈H₆	benzocyclobutadiene	bcbd
1589	C₈H₆	Pentalene	pentalene
1590	C₆H₅CHCH₂	Styrene	styrene
1591	C₈H₈	cubane	cubane
1592	C₈H₈	cyclooctatetraene	cot
1593	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1594	CH₃C₆H₄CH₃	meta-xylene	mxylene
1595	CH₃C₆H₄CH₃	paraxylene	pxylene
1596	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1597	C₈H₁₆	cyclooctane	cyclooct
1598	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1599	C₈H₁₈	Octane	c8h18
1600	C₆H₅CN	phenyl cyanide	phcn
1601	C₆H₁₂N₂	Triethylenediamine	ted
1602	C₄O₄^--	squarate dianion	c4o4--
1603	S₄N₄	Tetrasulfur tetranitride	s4n4
1604	S₈	Octasulfur	s8
1605	C₆H₄O₂	parabenzoquinone	pbq
1606	C₄H₄N₂O₂	Uracil	uracil
1607	C₆H₅OCH₃	Anisole	anisole
1608	C₅H₉NO₂	Proline	proline
1609	C₆H₁₂O₂	Methyl pivalate	c598981
1610	C₆H₁₂O₂	Hexanoic acid	hexa
1611	C₄F₄	tetrafluorcyclobutadiene	c4f4
1612	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1613	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1614	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1615	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1616	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1617	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1618	C₂F₆	hexafluoroethane	c2f6
1619	C₂Cl₆	hexachloroethane	c2cl6
1620	IF₇	Iodine heptafluoride	if7
1621	C₆H₄F₂	metadifluorobenzene	mdfb
1622	C₆H₄F₂	orthodifluorobenzene	odfb
1623	C₆H₄F₂	1,4-difluorobenzene	pdfb
1624	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1625	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1626	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1627	C₆H₅NO	nitrosobenzene	bzno
1628	C₉H₈	Indene	indene
1629	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1630	C₉H₁₂	n-propyl benzene	prbz
1631	C₉H₂₀	Nonane	nonane
1632	C(CN)₄	tetracyanomethane	c5n4
1633	C₅H₄N₄	purine	purine
1634	C₈H₇N	Indole	indole
1635	C₃H₃N₃O₃	cyanuric acid	cyanuric
1636	C₆H₅NO₂	Nitrobenzene	c6h5no2
1637	C₆H₅COOH	benzoic acid	benzo
1638	CH₃COC₆H₅	acetophenone	acph
1639	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1640	C₃F₆	hexafluoropropene	c3f6
1641	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1642	C₈H₁₈O	1-Octanol	octanol
1643	C₁₀H₈	Azulene	azu
1644	C₁₀H₈	naphthalene	naph
1645	C₁₀H₁₀	bullvalene	bullv
1646	C₁₀H₁₆	adamantane	adamantane
1647	C₆N₄	Tetracyanoethylene	tcne
1648	C₆N₄^-	tetracyanoethylene anion	tcne-
1649	C₁₀H₂₂	Decane	decane
1650	C₄F₆	perfluorobutadiene	c4f6
1651	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1652	C₃F₈	perfluoropropane	c3f8
1653	Fe(CO)₅	Iron pentacarbonyl	ipc
1654	Fe(C₅H₅)₂	ferrocene	fecp2
1655	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1656	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1657	C₁₂H₈	Acenaphthylene	acenaph
1658	C₁₂H₈	biphenylene	biph
1659	C₁₂H₁₀	biphenyl	biphenyl
1660	C₁₂H₁₀	Heptalene	heptalene
1661	C₆H₁₂O₆	Inositol	inositol
1662	C₆F₆	hexafluorobenzene	c6f6
1663	S₂F₁₀	disulphur decafluoride	s2f10
1664	C₁₃H₁₀	Fluorene	fluorene
1665	C₁₄H₁₀	Anthracene	anth
1666	C₁₄H₁₀	Phenanthrene	phenanthrene
1667	C₁₄H₁₄	Bibenzyl	bibenzyl
1668	C₁₂H₁₀N₂	azobenzene	azobenzene
1669	C₆H₅COC₆H₅	benzophenone	benzophenone
1670	C₁₆H₁₀	Pyrene	pyrene
1671	C₁₈H₁₂	Tetracene	tetracene
1672	C₁₉H₁₆	Triphenylmethane	tpm
1673	C₂₄H₁₂	Coronene	coronene
1674	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