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

List of which calculations are completed at ROMP2 /6-31G(2df,p)

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	CH₃^-	methyl anion	¹A₁	C_3v
86	SiH₃	Silyl radical	²A₁	C_3v
87	SiH₃^-	Silyl anion	¹A₁	C_3v
88	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
89	GeH₃	Germyl radical	²A₁	C_3v
90	GeH₃⁺	germyl cation	¹A₁^'	D_3h
91	N	Nitrogen atom	⁴S	K_h
92	N	Nitrogen atom	²D	K_h
93	N^-	Nitrogen atom anion	³S	K_h
94	N⁺	Nitrogen atom cation	³P	K_h
95	P	Phosphorus atom	⁴S	K_h
96	P^-	Phosphorus atom anion	³P	K_h
97	P⁺	Phosphorus atom cation	³P	K_h
98	V	Vanadium atom	⁴F	K_h
99	V⁺	Vanadium atom cation	⁵D	K_h
100	As	Arsenic atomic	⁴S	K_h
101	As^-	Arsenic anion	³P	K_h
102	PH	phosphorus monohydride	³Σ^-	C_∞v
103	AsH	Arsenic monohydride	³Σ	C_∞v
104	NH₂	Amino radical	²B₁	C_2v
105	NH₂⁺	Amino cation	³B₁	C_2v
106	PH₂^-	Phosphino anion	¹A₁	C_2v
107	PH₂⁺	Phosphino cation	¹A₁	C_2v
108	AsH₂	Arsenic dihydride	²A₁	C_2v
109	NH₃^-	Ammonia anion	²A₁	C_3v
110	NH₃⁺	ammonia cation	²A₂^"	D_3h
111	PH₃⁺	Phosphine cation	²A₁	C_3v
112	AsH₃⁺	Arsine cation	²A₁	C_3v
113	NH₄	Ammonium radical
114	PH₄	Phosphoranyl radical
115	O	Oxygen atom	³S	K_h
116	O^-	Oxygen atom anion	²P	K_h
117	O⁺	Oxygen atom cation	⁴S	K_h
118	S	Sulfur atom	³P	K_h
119	S^-	Sulfur atom anion	²P	K_h
120	S⁺	Sulfur atom cation	⁴S	K_h
121	Se	Selenium atom	³P	K_h
122	Se^-	Selenium atom anion	²P	K_h
123	Se⁺	Selenium atom cation	⁴S	K_h
124	OH	Hydroxyl radical	²Π	C_∞v
125	OH^-	hydroxide anion	¹Σ	C_∞v
126	OH⁺	hydoxyl cation	³Σ	C_∞v
127	HS	Mercapto radical	²Π	C_∞v
128	HS^-	mercapto anion	¹Σ	C_∞v
129	HS⁺	sulfur monohydride cation	³Σ	C_∞v
130	CrH	Chromium hydride	⁶Σ	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	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
158	Ne	Neon atom
159	Ne^-	Neon atom anion	²S	K_h
160	Ne⁺	Neon atom cation	²P	K_h
161	Ar^-	Argon atom anion	²S	K_h
162	Ar⁺	Argon atom cation	²P	K_h
163	Kr	Krypton atom	¹S	K_h
164	Kr⁺	Krypton cation	²P	K_h
165	NeH	neon hydrogen	²Σ	C_∞v
166	ArH⁺	Argon hydride cation	¹Σ	C_∞v
167	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
168	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
169	NaK⁺	Sodium Potassium diatomic cation		1
170	LiBe	Lithium Beryllium	²Σ	C_∞v
171	LiMg	Lithium magnesium	²Σ	C_∞v
172	NaBe	Sodium Beryllium	²Σ	C_∞v
173	NaMg	Sodium Magnesium	²Σ	C_∞v
174	Be₂	Beryllium diatomic	³Π_g	D_∞h
175	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
176	LiB	Lithium boride	³Π	C_∞v
177	NaAl	Sodium aluminum	¹Σ	C_∞v
178	BeB	Beryllium monoboride	²Π	C_∞v
179	B₂	Boron diatomic	³Σ_g	D_∞h
180	BAl	Boron Aluminum	³Σ	C_∞v
181	BGa	Boron Gallium	³Σ	C_∞v
182	AlGa	Aluminum Gallium	³Σ	C_∞v
183	Ga₂	Gallium diatomic	³P_iu
184	HBBH	Diborane(2)	³Σ_G	D_∞h
185	B₂H₆⁺	Diborane cation
186	LiC	Lithium Carbide	⁴Σ	C_∞v
187	BeC	Beryllium Carbide	³Σ^-	C_∞v
188	BeC	Beryllium Carbide
189	CaC	Calcium monocarbide
190	BC	boron monocarbide	⁴Σ^-	C_∞v
191	BC^-	boron monocarbide anion	³Π_u	C_∞v
192	AlC	Aluminum carbide	⁴Σ	C_∞v
193	BSi	Boron silicide	⁴Σ	C_∞v
194	BSi	Boron silicide	²Σ	C_∞v
195	C₂	Carbon diatomic	³Π_u	D_∞h
196	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
197	SiC	silicon monocarbide	³Σ	C_∞v
198	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
199	GeC	Germanium monocarbide	¹Σ	C_∞v
200	SiGe	Silicon Germanium
201	Ge₂	Germanium diatomic	³Σ_g	D_∞h
202	C₂H	Ethynyl radical	²Σ	C_∞v
203	ZnCH₂	Zinc methylene	³B₁	C_2v
204	ZnCH₂	Zinc methylene	¹A^'	C_s
205	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
206	CCH₂	vinylidene	³B₂	C_2v
207	H₂CC^-	vinylidene anion
208	HCCH^-	acetylene anion
209	HCCH^-	acetylene anion
210	ZnCH₃	Zinc monomethyl	²A₁	C_3v
211	C₂H₃	vinyl	²A^'	C_s
212	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
213	C₂H₄^-	Ethylene anion	²B_2g	D_2h
214	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
215	C₂H₄⁺	Ethylene cation	²B₃	D₂
216	CH₃CH	methylmethylene	³A^"	C_s
217	C₂H₅	Ethyl radical	²A^'	C_s
218	LiN	Lithium Nitride	³Σ	C_∞v
219	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
220	LiP	Lithium monophosphide
221	BeN	Beryllium mononitride	⁴Σ	C_∞v
222	BeN	Beryllium mononitride	²Π	C_∞v
223	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
224	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
225	MgN	Magnesium Nitride
226	MgN	Magnesium Nitride
227	BP	Boron monophosphide	³Π	C_∞v
228	AlP	Aluminum monophosphide	³Σ	C_∞v
229	AlP	Aluminum monophosphide	³Π	C_∞v
230	GaN	Gallium mononitride	³Π	C_∞v
231	GaP	Gallium monophosphide	³Σ	C_∞v
232	GaAs	Gallium arsenide	³Π
233	GaAs	Gallium arsenide	¹Σ
234	BN	boron nitride	³Π	C_∞v
235	CN	Cyano radical	²Σ	C_∞v
236	SiP	Silicon monophosphide	²Π	C_∞v
237	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
238	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
239	N₂	Nitrogen diatomic
240	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
241	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
242	HNB	hydrogen nitrogen boron	²Σ	C_∞v
243	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
244	HNC⁺	hydrogen isocyanide cation
245	HCP⁺	Phosphaethyne cation
246	CNH₂	Aminomethylidyne radical	²B₂	C_2v
247	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
248	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
249	HCNH	methyleneazane	²A^'	CS cis
250	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
251	CH₂NH⁺	Methanimine cation
252	CHNH₂⁺	Aminocarbene cation
253	N₂H₄⁺	hydrazine cation	²A_G	C_2h
254	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
255	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
256	LiO	lithium oxide	²Σ	C_∞v
257	LiO^-	lithium oxide anion	¹Σ	C_∞v
258	LiO^-	lithium oxide anion	³Σ	C_∞v
259	LiO⁺	lithium oxide cation	³Σ	C_∞v
260	LiS	Lithium monosulfide	²Π	C_∞v
261	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
262	NaO	sodium monoxide	²Σ	C_∞v
263	KO	Potassium monoxide	²Σ	C_∞v
264	KO⁺	Potassium monoxide cation	³Σ	C_∞v
265	NaS	Sodium sulfide	²Π	C_∞v
266	LiSe	Lithium monoselenide
267	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
268	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
269	BO	boron monoxide	²Σ	C_∞v
270	BO^-	boron monoxide anion	¹Σ	C_∞v
271	ScO	Scandium monoxide	²Σ	C_∞v
272	GaO	Gallium monoxide	²Σ	C_∞v
273	GaS	Gallium monosulfide
274	CO	Carbon monoxide	³Π	C_∞v
275	CO^-	carbon monoxide anion	²Π	C_∞v
276	CO⁺	carbon monoxide cation	²Σ	C_∞v
277	TiO	Titanium monoxide	³Δ	C_∞v
278	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
279	SiSe⁺	Silicon Monoselenide cation
280	NO	Nitric oxide	²Π	C_∞v
281	NO^-	nitric oxide anion	³Σ	C_∞v
282	NS	Mononitrogen monosulfide	²Π	C_∞v
283	NS^-	nitrogen sulfide anion	³Σ	C_∞v
284	PO	Phosphorus monoxide	²Π	C_∞v
285	PS	phosphorus sulfide	²Σ	C_∞v
286	VO	Vanadium monoxide	⁴Σ^-
287	AsO	Arsenic monoxide	²Π	C_∞v
288	NSe	Nitrogen monoselenide	²Π	C_∞v
289	AsS	Arsenic monosulfide	²Π	C_∞v
290	PSe	Phosphorus monoselenide	²Π	C_∞v
291	AsSe	Arsenic monoselenide	²Π	C_∞v
292	O₂	Oxygen diatomic	³Σ_g	D_∞h
293	O₂^-	oxygen diatomic anion	²Π	D_∞h
294	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
295	SO	Sulfur monoxide	³Σ	C_∞v
296	SO	Sulfur monoxide	¹Σ	C_∞v
297	SO⁺	sulfur monoxide cation	²Π	C_∞v
298	S₂	Sulfur diatomic	³Σ_g	D_∞h
299	SeO	Selenium monoxide	³Σ	C_∞v
300	Se₂	Selenium diatomic	³Σ_g	D_∞h
301	BeOH	beryllium monohydroxide	²A^'	C_s
302	COH	Hydroxymethylidyne
303	HCO	Formyl radical	²A^'	C_s
304	HCO^-	formyl anion	¹A^'	C_s
305	HCO⁺	Formyl cation	¹Σ	C_∞v
306	HCS⁺	Thioformyl cation	¹Σ	C_∞v
307	HNO	Nitrosyl hydride	¹A^'	C_s
308	HNO^-	Nitrosyl hydride anion	²A^"	C_s
309	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
310	NOH	Hydroxyimidogen	³A^"	C_s
311	NOH⁺	O-protonated nitric oxide	²A^'	C_s
312	HNS^-	Sulfur imide anion	²A	C_s
313	HO₂	Hydroperoxy radical	²A^"	C_s
314	HO₂^-	Hydroperoxy anion	¹A^'	C_s
315	HO₂⁺	Hydroperoxy cation	³A^"	C_s
316	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
317	SOH	Sulfur Hydroxide
318	SOH⁺	Sulfur Monoxide, protonated
319	HS₂	Thiosulfeno radical	²A^"	C_s
320	H₂CO^-	formaldehyde anion	²A^'	C_s
321	H₂CO^-	formaldehyde anion
322	H₂CO⁺	formaldehyde cation	²B₂	C_2v
323	H₂CS^-	thioformaldehyde anion
324	H₂CS^-	thioformaldehyde anion
325	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
326	H₂NO	nitroxide	²B₁	C_2v
327	H₂NO	nitroxide	²A^'	C_s
328	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
329	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
330	CH₂OH	Hydroxymethyl radical	²A	C₁
331	CH₃O⁺	Methoxy cation	³A₁	C_3v
332	NH₂OH⁺	Hydroxylamine cation
333	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
334	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
335	CH₃SH⁺	Methanethiol cation	²A^"	C_s
336	NH₂OH₂⁺	protonated hydroxylamine
337	NH₃OH⁺	N-protonated hydroxylamine
338	NaF⁺	sodium fluoride cation	²Σ	C_∞v
339	LiF^-	lithium fluoride anion	²Σ	C_∞v
340	LiF⁺	lithium fluoride cation	²Π	C_∞v
341	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
342	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
343	TiCl	Titanium Monochloride	⁴Σ	C_∞v
344	ZnF	Zinc monofluoride	²Σ	C_∞v
345	ZnCl	Zinc monochloride	²Σ	C_∞v
346	CaBr	Calcium monobromide
347	GaF	Gallium monofluoride	¹Σ	C_∞v
348	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
349	GaCl	Gallium monochloride	¹Σ_G	C_∞v
350	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
351	CF	Fluoromethylidyne	²Π	C_∞v
352	SiF	silicon monofluoride	²Π	C_∞v
353	SiF^-	silicon monofluoride anion	³Σ	C_∞v
354	SiCl	Clorosilylidyne	²Π	C_∞v
355	CBr	Carbon monobromide	²Π	C_∞v
356	GeF	Germanium monofluoride	²Π	C_∞v
357	GeCl	Germanium monochloride	²Π	C_∞v
358	SiBr	Silicon monobromide	²Π	C_∞v
359	SiBr⁺	Silicon monobromide cation
360	NCl	nitrogen monochloride	³Σ	C_∞v
361	NCl^-	nitrogen monochloride anion	²Π	C_∞v
362	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
363	AsF	Arsenic monofluoride	³Σ	C_∞v
364	NBr	nitrogen monobromide	³Σ^-	C_∞v
365	AsCl	Arsenic monochloride	³Σ	C_∞v
366	PBr	Phosphorus monobromide
367	FO	Oxygen monofluoride	²Π	C_∞v
368	ClO	Monochlorine monoxide	²Π	C_∞v
369	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
370	SF	Monosulfur monofluoride	²Π	C_∞v
371	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
372	SCl	sulfur monochloride	²Π	C_∞v
373	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
374	BrO	Bromine monoxide	²Π	C_∞v
375	BrO⁺	Bromine monoxide cation
376	SeF	Selenium monofluoride	²Π	C_∞v
377	SBr	Sulfur monobromide radical
378	SBr⁺	Sulfur monobromide cation
379	SeCl	Selenium monochloride	²Π	C_∞v
380	SeBr	Selenium monobromide
381	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
382	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
383	ClF⁺	clorine monofluoride cation	²Π	C_∞v
384	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
385	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
386	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
387	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
388	HCF	Fluoromethylene	³A^"	C_s
389	HCCl	Chloromethylene	³A^"	C_s
390	CHBr	bromomethylene	³A^"	C_s
391	HOCl⁺	hypochlorous acid cation
392	HOBr⁺	Hypobromous acid cation	²A^"	C_s
393	CH₂Br	bromomethyl radical	²A^'	C_s
394	CH₂Br	bromomethyl radical
395	CH₂F	fluoromethyl radical	²A	C_s
396	CH₂Cl	chloromethyl radical	²A^'	C_s
397	CH₂Cl	chloromethyl radical	²B₁	C_2v
398	CH₃F⁺	methyl fluoride cation
399	CH₃Cl⁺	Methyl chloride cation
400	CH₃Br	methyl bromide	¹A₁	C_3v
401	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
402	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
403	Li₃	Lithium trimer	²B₂	C_2v
404	C₃	carbon trimer	¹A₁	C_2v
405	C₃H₃	cyclopropenyl radical	²A^'	C_s
406	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
407	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
408	CH₃CHCH	1-propenyl radical	²A^'	C_s
409	C₃H₇	n-Propyl radical	²A^"	C₁
410	CH₃CHCH₃	Isopropyl radical	²A	C₂
411	LiCN	lithium cyanide	¹Σ	C*V LiCN
412	KCN	Potassium cyanide	¹Σ	C_∞v
413	ZnCN	Zinc monocyanide	²Σ	C_∞v
414	ZnNC	Zinc isocyanide	²Σ	C_∞v
415	CNN	Diazocarbene
416	NCN	Cyanoimidogen	³Σ_g	D_∞h
417	N₃	azide radical	²Π_g	D_∞h
418	N₃⁺	azide cation	³Σ_g	D_∞h
419	N₃⁺	azide cation	³Σ	C_∞v
420	HCCN	cyanomethylene	³A^"	C_s
421	HCCN	cyanomethylene
422	HN₃	hydrogen azide	¹A^'	C_s
423	HN₃⁺	Hydrazoic acid cation
424	CH₃CN^-	acetonitrile anion	²E	C_3v
425	CH₃CN^-	acetonitrile anion	²A^'	C_s
426	HCNCH₂⁺	2H-Azirine cation
427	CH₂CHNH	vinylazine	²A^"	CS cis
428	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
429	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
430	LiO₂	Lithium dioxide
431	NaO₂	Sodium superoxide
432	CCO	Dicarbon monoxide	³Σ	C_∞v
433	NCO	isocyanato radical	²Π	C_∞v
434	SCN	thiocyanato radical	²Π	C_∞v
435	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
436	N₂O^-	Nitrous oxide anion	²A^'	C_s
437	CO₂^-	Carbon dioxide anion	²A₁	C_2v
438	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
439	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
440	CS₂^-	Carbon disulfide anion	²A₁	C_2v
441	NO₂	Nitrogen dioxide	²A₁	C_2v
442	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
443	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
444	NSO	sulfinyl amidogen
445	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
446	AsO₂	Aresenic dioxide	²A₁	C_2v
447	O₃^-	Ozone anion	²B₁	C_2v
448	O₃⁺	Ozone cation	²A₁	C_2v
449	SO₂	Sulfur dioxide	¹A₁	C_2v
450	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
451	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
452	S₃^-	Sulfur trimer anion	²B₁	C_2v
453	S₃⁺	Sulfur trimer cation	²B₂	C_2v
454	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
455	HCCO	ketenyl radical	²Π	C_∞v
456	HCCO	ketenyl radical	²A^"	C_s
457	HCOO	formate neutral radical	²A^'	C_s
458	HOCO	Hydrocarboxyl radical	¹A^'	cis
459	HOCO	Hydrocarboxyl radical	¹A^'	trans
460	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
461	CH₂CO⁺	Ketene cation	²B₁	C_2v
462	Be(OH)₂	Beryllium hydroxide
463	CH₂CHO	Vinyloxy radical	²A^"	C_s
464	CH₂OOH	CH2OOH radical	²A	C₁
465	C₂H₄O⁺	ethylene oxide cation
466	CH₃CHO⁺	acetaldehyde cation
467	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
468	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
469	CH₃CH₂O	Ethoxy radical	²A^'	C_s
470	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
471	CH₃OCH₂	methoxymethyl radical	²A	C₁
472	CH₃SCH₃⁺	dimethyl sulfide cation
473	CuF₂	Copper difluoride	²Π_g	D_∞h
474	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
475	ZnCl₂	Zinc dichloride	¹Σ_G	D_∞h
476	FCO	Carbonyl fluoride	²A^'	C_s
477	ClCO	carbonyl monochloride	²A^'	C_s
478	BF₂	Boron difluoride radical	²A₁	C_2v
479	CF₂	Difluoromethylene	³B₁	C_2v
480	CF₂^-	Difluoromethylene anion	²B₁	C_2v
481	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
482	SiF₂	Silicon difluoride	³B₁	C_2v
483	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
484	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
485	CBr₂	dibromomethylene	³B₁	C_2v
486	FOO⁺	Fluorine dioxide cation
487	ClOO⁺	chloroperoxy cation	¹A^'	C_s
488	OClO	Chlorine dioxide	²B₁	D_∞h
489	OClO^-	Chlorine dioxide anion	¹A^'	C_s
490	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
491	ClSO	Sulfur chloride oxide	²A^"	C_s
492	BrOO	Bromine dioxide
493	OBrO	Bromine dioxide radical	²B₁	C_2v
494	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
495	PF₂	Phosphorus difluoride
496	SF₂^-	sulfur difluoride anion	²A^'	C_s
497	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
498	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
499	HFCO⁺	formyl fluoride cation	²A^'	C_s
500	CHCl₂	dichloromethyl radical	²B₁	C_2v
501	CHCl₂	dichloromethyl radical	²A^'	C_s
502	CHF₂	difluoromethyl radical	²A	C_s
503	CHFCl	Chlorofluoromethyl radical
504	CHBr₂	dibromomethyl radical
505	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
506	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
507	CHClCH₃	1-chloroethyl radical	²A	C₁
508	C₄	Carbon tetramer	³Σ_g	D_∞h
509	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
510	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
511	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
512	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
513	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
514	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
515	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
516	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
517	HCO₃^-	bicarbonate anion
518	HSO₃	Hydroxysulfonyl radical	²A	C₁
519	C₂H₂O₂	Ethanedial	¹A_g	C_2h
520	CH₃COCH₂	Acetonyl radical	²A^"	C_s
521	C₂H₅OO	ethylperoxy radical	²A^'	C_s
522	CH₃COCH₃^-	acetone anion	²A^'	C_s
523	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
524	ClONO	chlorine nitrite	¹A^'	CS cis
525	CF₂O⁺	Carbonic difluoride cation
526	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
527	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
528	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
529	BF₃⁺	boron trifluoride cation
530	BCl₃⁺	Boron Trichloride cation
531	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
532	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
533	CF₂Cl	difluorochloromethyl radical
534	SiF₃	Silicon trifluoride radical	²A₁	C_3v
535	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
536	CFCl₂	dichlorofluoromethyl radical
537	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
538	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
539	CBr₃	tribromomethyl radical
540	NF₃	Nitrogen trifluoride	¹A₁	C_3v
541	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
542	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
543	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
544	SF₃	Sulfur trifluoride	²A^'	C_s
545	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
546	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
547	C₄H₄N	pyrrolide radical	²A₂	C_2v
548	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
549	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
550	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
551	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
552	SF₅	Sulfur pentafluoride	²A₁	C_4v
553	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
554	C₆H₅O	phenoxy radical	²B₁	C_2v
555	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
556	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 cation	ch3+
66	CD₄	methane-d4	cd4
67	CH₂D₂	methane-d2	ch2d2
68	CH₃D	methane-d	ch3d
69	CH₄	Methane	ch4
70	CH₄^-	Methane anion	ch4-
71	CH₄⁺	Methane cation	ch4+
72	CHD₃	methane-d3	chd3
73	SiH₂D₂	silane-d2	sih2d2
74	SiH₄	Silane	sih4
75	SiH₄⁺	Silane cation	sih4+
76	GeH₄	Germane	geh4
77	SnH₄	Stannane	snh4
78	SiH₅⁺	Silane, protonated	sih5+
79	As⁺	Arsenic cation	as+
80	Sb	Antimony atom	sb
81	NH	Imidogen	nh
82	NH^-	Imidogen anion	nh-
83	NH⁺	imidogen cation	nh+
84	PH^-	phosphorus monohydride anion	ph-
85	PH⁺	phosphorus monohydride cation	ph+
86	AsH⁺	Arsenic monohydride cation	ash+
87	SbH	Antimony monohydride	sbh
88	ND₂	Amidogen-d2	nd2
89	NH₂^-	amino anion	nh2-
90	PH₂	Phosphino radical	ph2
91	AsH₂⁺	Arsenic dihydride cation	ash2+
92	ND₃	Ammonia-d3	nd3
93	NH₃	Ammonia	nh3
94	PH₃	Phosphine	ph3
95	AsH₃	Arsine	ash3
96	SbH₃	Stibine	sbh3
97	AsH₄⁺	Arsonium	ash4+
98	NH₄⁺	ammonium cation	nh4+
99	PH₄⁺	phosphonium cation	ph4+
100	Cr	Chromium atom	cr
101	Te	Tellurium atom	te
102	Te⁺	Tellurium atom cation	te+
103	DO	Hydroxyl-d	od
104	DS	Mercapto-d	ds
105	CrH⁺	Chromium hydride cation	crh+
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	HI⁺	Hydrogen iodide cation	hi+
128	H₂F⁺	dihydrogen fluoride cation	h2f+
129	H₂Br⁺	protonated hydrogen bromide	h2br+
130	H₂I⁺	Iodonium	h2i+
131	Ne	Neon atom	ne
132	Ar	Argon atom	ar
133	Fe	Iron atom	fe
134	Xe	Xenon atom	xe
135	HeLi⁺	Helium Lithium cation	heli+
136	NeH⁺	neon hydrogen cation	neh+
137	KrH⁺	Protonated Krypton	krh+
138	XeH⁺	Xenon, protonated	xeh+
139	H₂Ar	H2 Ar dimer	h2ar
140	Co	Cobalt atom	cobalt
141	Ni	Nickel atom	ni
142	Li₂	Lithium diatomic	li2
143	Li₂^-	lithium diatomic anion	li2-
144	Li₂⁺	lithium diatomic cation	li2+
145	NaLi	lithium sodium	lina
146	NaLi^-	lithium sodium anion	lina-
147	NaLi⁺	lithium sodium cation	lina+
148	LiK	Lithium Potassium	lik
149	Na₂	Sodium diatomic	na2
150	NaK	Sodium Potassium	nak
151	K₂	Potassium diatomic	k2
152	Cu₂	Copper diatomic	cu2
153	Be₂	Beryllium diatomic	be2
154	Be₂⁺	Beryllium diatomic cation	be2+
155	BeMg	Beryllium Magnesium	bemg
156	Mg₂	Magnesium diatomic	mg2
157	Mg₂^-	magnesium diatomic anion	mg2-
158	Mg₂⁺	magnesium diatomic cation	mg2+
159	Ca₂	Calcium diatomic	ca2
160	LiAl	Lithium Aluminum	lial
161	B₂^-	Boron diatomic anion	b2-
162	B₂⁺	Boron diatomic cation	b2+
163	Al₂	Aluminum diatomic	al2
164	Al₂^-	aluminum diatomic anion	al2-
165	Al₂⁺	aluminum diatomic cation	al2+
166	LiBH₄	Lithium borohydride	libh4
167	B₂H₄	Diborane(4) D2d	b2h4
168	HBHHBH	Diborane(4) C2V	hbhhbh
169	B₂H₆	Diborane	b2h6
170	Al₂H₆	dialane	al2h6
171	Ga₂H₆	digallane	ga2h6
172	BC⁺	boron monocarbide cation	bc+
173	C₂	Carbon diatomic	c2
174	C₂^-	carbon diatomic anion	c2-
175	SiC⁺	silicon monocarbide cation	sic+
176	Si₂	Silicon diatomic	si2
177	Si₂^-	silcon diatomic anion	si2-
178	Si₂⁺	silcon diatomic cation	si2+
179	C₂H^-	Ethynyl anion	c2h-
180	C₂H⁺	Ethynyl cation	c2h+
181	C₂H₂	Acetylene	c2h2
182	CCH₂	vinylidene	vinylidene
183	Si₂H₂	disilyne	si2h2
184	CH₃Li	methyl lithium	ch3li
185	CuCH₃	monomethyl copper	cuch3
186	CH₂BH	methyleneborane	ch2bh
187	C₂H₃^-	vinyl anion	c2h3-
188	C₂H₄	Ethylene	c2h4
189	CH₂SiH₂	silaethylene	ch2sih2
190	Si₂H₄	Disilene	si2h4
191	CH₃BH₂	methylborane	ch3bh2
192	C₂H₅^-	Ethyl anion	c2h5-
193	C₂H₅⁺	Ethyl cation	c2h5+
194	C₂H₆	Ethane	c2h6
195	C₂H₆⁺	ethane cation	c2h6+
196	CH₃SiH₃	methyl silane	ch3sih3
197	Si₂H₆	disilane	si2h6
198	GeH₃CH₃	methyl germane	geh3ch3
199	C₂H₇⁺	Ethane, protonated	c2h7+
200	BeN⁺	Beryllium mononitride cation	ben+
201	BN^-	boron nitride anion	bn-
202	AlN^-	aluminum mononitride anion	aln-
203	AlN⁺	aluminum mononitride cation	aln+
204	BN⁺	boron nitride cation	bn+
205	AlN	Aluminum nitride	aln
206	CN^-	cyanide anion	cn-
207	CN⁺	Cyano cation	cn+
208	CP	Carbon monophosphide	cp
209	CP^-	carbon monophosphide anion	cp-
210	CP⁺	carbon monophosphide cation	cp+
211	SiN	Silicon nitride	sin
212	SiN^-	silicon mononitride anion	sin-
213	SiN⁺	silicon mononitride cation	sin+
214	TiN	Titanium mononitride	tin
215	N₂	Nitrogen diatomic	n2
216	PN	Phosphorus mononitride	pn
217	PN^-	phosphorus nitride anion	pn-
218	PN⁺	phosphorus nitride cation	pn+
219	P₂	Phosphorus diatomic	p2
220	P₂^-	phosphorus diatomic anion	p2-
221	P₂⁺	phosphorus diatomic cation	p2+
222	AsN	Arsenic mononitride	asn
223	AsP	Arsenic monophosphide	asp
224	SbN	Antimony nitride	sbn
225	As₂	Arsenic diatomic	as2
226	HNC	hydrogen isocyanide	hnc
227	HCN	Hydrogen cyanide	hcn
228	HCN^-	Hydrogen cyanide anion	hcn-
229	HCP	Phosphaethyne	hcp
230	NNH	Dinitrogen monohydride	nnh
231	NNH⁺	Dinitrogen monohydride cation	nnh+
232	HPO	Hydrogen phosphorus oxide	hpo
233	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
234	LiNH₂	lithium amide	linh2
235	HBNH	Boranimine	hbnh
236	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
237	HCNH⁺	N-protonated HCN	hcnh+
238	H₂NN	Isodiazene	h2nn
239	N₂H₂	(E)-diazene	n2h2
240	N₂H₂	(Z)-Diazene	n2h2z
241	CH₂NH	Methanimine	ch3n
242	CHNH₂	aminomethylene	chnh2
243	CH₂PH	Phosphaethene	ch3p
244	BH₂NH₂	Boranamine	bh2nh2
245	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
246	N₂H₄	Hydrazine	n2h4
247	P₂H₄	Diphosphine	p2h4
248	CH₃NH₂	methyl amine	ch3nh2
249	CH₃PH₂	Methyl phosphine	ch3ph2
250	SiH₃NH₂	Silane, amino	sih3nh2
251	N₂H₅⁺	protonated hydrazine	n2h5+
252	BH₃PH₃	borane phosphine	bh3ph3
253	BH₃NH₃	borane ammonia	bh3nh3
254	CH₃NH₃⁺	protonated methylamine	ch3nh3+
255	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
256	NH₃NH₃	Ammonia Dimer	nh3nh3
257	N₂H₇⁺	ammonia ammonium dimer	n2h7+
258	NaO^-	sodium oxide anion	nao-
259	NaO⁺	sodium oxide cation	nao+
260	CuO	Copper Monoxide	cuo
261	BeO	beryllium oxide	beo
262	BeS	beryllium sulfide	bes
263	MgO	magnesium oxide	mgo
264	MgO^-	magnesium oxide anion	mgo-
265	MgO⁺	magnesium oxide cation	mgo+
266	CaO	Calcium monoxide	cao
267	MgS	magnesium sulfide	mgs
268	MgS^-	magnesium sulfide anion	mgs-
269	MgS⁺	magnesium sulfide cation	mgs+
270	CaS	Calcium sulfide	cas
271	ZnO	zinc monoxide	zno
272	ZnS	Zinc sulfide	zns
273	BeS^-	Beryllium monosulfide anion	bes-
274	BeS⁺	Beryllium monosulfide cation	bes+
275	AlO	Aluminum monoxide	alo
276	AlO^-	Aluminum monoxide anion	alo-
277	AlO⁺	aluminum monoxide cation	alo+
278	BS	boron sulfide	bs
279	BS^-	boron monosulfide anion	bs-
280	BS⁺	boron monosulfide cation	bs+
281	AlS	Aluminum sulfide	als
282	AlS^-	aluminum monosulfide anion	als-
283	AlS⁺	aluminum monosulfide cation	als+
284	BO⁺	boron monoxide cation	bo+
285	CO	Carbon monoxide	co
286	CS	carbon monosulfide	cs
287	CS^-	carbon monosulfide anion	cs-
288	CS⁺	carbon monosulfide cation	cs+
289	SiO	Silicon monoxide	sio
290	SiO^-	silicon monoxide anion	sio-
291	SiO⁺	silicon monoxide cation	sio+
292	SiS	silicon monosulfide	sis
293	SiS^-	silicon monosulfide anion	sis-
294	SiS⁺	silicon monosulfide cation	sis+
295	CSe	Carbon monoselenide	cse
296	CSe^-	Carbon monoselenide anion	cse-
297	CSe⁺	Carbon monoselenide cation	cse+
298	GeO	Germanium monoxide	geo
299	GeS	Germanium monosulfide	ges
300	SiSe	Silicon Monoselenide	sise
301	GeSe	Germanium monoselenide	gese
302	NO⁺	nitric oxide cation	no+
303	NS⁺	nitrogen sulfide cation	ns+
304	PO^-	phosphorus monoxide anion	po-
305	PO⁺	phosphorus monoxide cation	po+
306	PS^-	phosphorus monosulfide anion	ps-
307	PS⁺	phosphorus monosulfide cation	ps+
308	O₂^--	dioxygen dianion	o2--
309	SO^-	sulfur monoxide anion	so-
310	S₂^-	sulfur diatomic anion	s2-
311	S₂⁺	sulfur diatomic cation	s2+
312	SeO^-	selenium monoxide anion	seo-
313	SeO⁺	selenium monoxide cation	seo+
314	SeS	Selenium monosulfide	ses
315	SeS^-	selenium monosulfide anion	ses-
316	SeS⁺	selenium monosulfide cation	ses+
317	TeO	Tellurium monoxide	teo
318	Se₂^-	selenium diatomic anion	se2-
319	Se₂⁺	selenium diatomic cation	se2+
320	Te₂	Tellurium diatomic	te2
321	LiOH	lithium hydroxide	lioh
322	NaOH	sodium hydroxide	naoh
323	KOH	Potassium hydroxide	koh
324	MgOH	magnesium hydroxide	mgoh
325	CaOH	Calcium monohydroxide	caoh
326	HBO	Boron hydride oxide	hbo
327	HBS	hydrogen boron sulfide	hbs
328	COH⁺	Carbon Monoxide, protonated	coh+
329	HCS	Thioformyl radical	hcs
330	HCS^-	Thioformyl anion	hcs-
331	HNS	Sulfur imide	hns
332	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
333	H₂CO	Formaldehyde	h2co
334	HOCH	hydroxycarbene	hoch
335	H₂CS	Thioformaldehyde	h2cs
336	H₂CSe	Selenoformaldehyde	h2cse
337	H₂O₂	Hydrogen peroxide	h2o2
338	H₂OO	water oxide	h2oo
339	HOSH	hydrogen thioperoxide	hosh
340	H₂S₂	Disulfane	h2s2
341	H₂Se₂	hydrogen diselenide	h2se2
342	CH₂OH⁺	hydroxymethyl cation	ch2oh+
343	CH₃O	Methoxy radical	ch3o
344	CH₃O^-	methoxy anion	ch3o-
345	CH₃S	thiomethoxy	ch3s
346	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
347	NH₂OH	hydroxylamine	nh2oh
348	NH₃O	Ammonia Oxide	nh3o
349	H₂POH	Phosphinous acid	h2poh
350	H₃PO	Phosphine oxide	h3po
351	NH₂SH	Thiohydroxylamine	nh2sh
352	NH₃S	sulfidoazane	nh3s
353	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
354	CH₃OH	Methyl alcohol	ch3oh
355	CH₃SH	Methanethiol	ch3sh
356	SiH₃OH	silanol	sih3oh
357	CH₃SeH	Methane selenol	ch3seh
358	H₂OH₂O	water dimer	h2oh2o
359	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
360	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
361	H₂ONH₃	Water Ammonia Dimer	h2onh3
362	H₅O₂⁺	Dihydroxonium ion	h5o2+
363	LiF	lithium fluoride	lif
364	LiCl	lithium chloride	licl
365	LiCl^-	lithium chloride anion	licl-
366	LiCl⁺	lithium chloride cation	licl+
367	NaF	sodium fluoride	naf
368	NaF^-	sodium fluoride anion	naf-
369	KF	Potassium Fluoride	kf
370	NaCl	Sodium Chloride	nacl
371	NaCl^-	sodium chloride anion	nacl-
372	NaCl⁺	sodium chloride cation	nacl+
373	KCl	Potassium Chloride	kcl
374	CuF	Copper monofluoride	cuf
375	LiBr	Lithium Bromide	libr
376	LiBr^-	lithium bromide anion	libr-
377	LiBr⁺	lithium bromide cation	libr+
378	CuCl	Copper monochloride	cucl
379	NaBr	Sodium Bromide	nabr
380	NaBr^-	sodium bromide anion	nabr-
381	NaBr⁺	sodium bromide cation	nabr+
382	KBr	Potassium Bromide	kbr
383	LiI	Lithium Iodide	lii
384	NaI	Sodium Iodide	nai
385	KI	Potassium Iodide	ki
386	BeF	Beryllium monofluoride	bef
387	BeCl	beryllium monochloride	becl
388	MgF	Magnesium monofluoride	mgf
389	MgF^-	magnesium fluoride anion	mgf-
390	MgF⁺	magnesium fluoride cation	mgf+
391	CaF	Calcium monofluoride	caf
392	MgCl	magnesium monochloride	mgcl
393	MgCl^-	magnesium monochloride anion	mgcl-
394	MgCl⁺	magnesium monochloride cation	mgcl+
395	CaCl	calcium monochloride	cacl
396	ZnF^-	Zinc monofluoride anion	znf-
397	ZnF⁺	Zinc monofluoride cation	znf+
398	BeCl^-	beryllium monochloride anion	becl-
399	BeCl⁺	beryllium monochloride cation	becl+
400	BF	Boron monofluoride	bf
401	BF^-	Boron monofluoride anion	bf-
402	BF⁺	Boron monofluoride cation	bf+
403	AlF	Aluminum monofluoride	alf
404	AlF^-	Aluminum monofluoride anion	alf-
405	AlF⁺	Aluminum monofluoride cation	alf+
406	BCl	boron monochloride	bcl
407	BCl^-	boron monochloride anion	bcl-
408	BCl⁺	boron monochloride cation	bcl+
409	AlCl	Aluminum monochloride	alcl
410	AlCl^-	aluminum monochloride anion	alcl-
411	AlCl⁺	aluminum monochloride cation	alcl+
412	ScF	Scandium monofluoride	scf
413	BBr	Boron monobromide	bbr
414	AlBr	Aluminum monobromide	albr
415	AlI	Aluminum monoiodide	ali
416	GaBr	Gallium monobromide	gabr
417	CF^-	carbon monofluoride anion	cf-
418	CF⁺	carbon monofluoride cation	cf+
419	CCl	carbon monochloride	ccl
420	CCl^-	carbon monochloride anion	ccl-
421	CCl⁺	carbon monochloride cation	ccl+
422	SiF⁺	silicon monofluoride cation	sif+
423	SiCl^-	silicon monochloride anion	sicl-
424	SiCl⁺	silicon monochloride cation	sicl+
425	GeF⁺	Germanium monofluoride cation	gef+
426	GeCl⁺	Germanium monochloride cation	gecl+
427	NF	nitrogen fluoride	nf
428	NF^-	nitrogen monofluorine anion	nf-
429	NF⁺	nitrogen monofluoirde cation	nf+
430	PF	phosphorus monofluoride	pf
431	PF^-	phosphorus monofluoride anion	pf-
432	PF⁺	phosphorus monofluoride cation	pf+
433	PCl	phosphorus chloride	pcl
434	PCl^-	phosphorus monochloride anion	pcl-
435	PCl⁺	phosphorus monochloride cation	pcl+
436	SbF	Antimony monofluoride	sbf
437	SbCl	Antimony monochloride	sbcl
438	FO^-	flourine oxide anion	fo-
439	FO⁺	fluorine monoxide cation	fo+
440	ClO^-	chlorine monoxide anion	clo-
441	SF^-	sulfur monofluoride anion	sf-
442	SCl^-	sulfur monochloride anion	scl-
443	BrO^-	Bromine monoxide anion	bro-
444	IO	Iodine monoxide	io
445	BrCl	Bromine monochloride	brcl
446	F₂	Fluorine diatomic	f2
447	ClF	Chlorine monofluoride	clf
448	ClF^-	clorine monofluoride anion	clf-
449	Cl₂	Chlorine diatomic	cl2
450	BrF	Bromine monofluoride	brf
451	BrF^-	bromine fluoride anion	brf-
452	BrF⁺	bromine fluoride cation	brf+
453	BrCl^-	bromine chloride anion	brcl-
454	BrCl⁺	bromine chloride cation	brcl+
455	IF	Iodine monofluoride	if
456	Br₂	Bromine diatomic	br2
457	ICl	Iodine monochloride	icl
458	IBr	Iodine monobromide	ibr
459	I₂	Iodine diatomic	i2
460	I₂⁺	Iodine diatomic cation	i2+
461	HCF	Fluoromethylene	hcf
462	HCCl	Chloromethylene	hccl
463	HSiF	fluorosilylene	hsif
464	HSiCl	Chlorosilylene	hsicl
465	HSiBr	monobromosilylene	hsibr
466	CHBr	bromomethylene	chbr
467	HOF	Hypofluorous acid	hfo
468	DOCl	Hypochlorous acid-d	docl
469	HOCl	hypochlorous acid	hocl
470	HOBr	Hypobromous acid	hobr
471	HOI	Hypoiodous acid	hoi
472	F₂H⁺	Fluorine, protonated	f2h+
473	FHF	Hydrogen difluoride	fhf
474	FHF^-	Hydrogen difluoride anion	fhf-
475	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
476	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
477	Cl₂H⁺	Chlorine, protonated	cl2h+
478	CH₂F⁺	fluoromethyl cation	ch2f+
479	CH₂Cl⁺	chloromethyl cation	ch2cl+
480	NH₂F	monofluoroamine	nh2f
481	NH₂Cl	chloramine	nh2cl
482	H₂F₂	Hydrogen fluoride dimer	h2f2
483	CD₃F	methylfluoride-d3	cd3f
484	CH₃F	Methyl fluoride	ch3f
485	CD₃Cl	methyl chloride d3	cd3cl
486	CH₃Cl	Methyl chloride	ch3cl
487	SiH₃F	monofluorosilane	sih3f
488	SiH₃Cl	chlorosilane	sih3cl
489	GeH₃F	monofluorogermane	geh3f
490	GeH₃Cl	monochlorogermane	geh3cl
491	SiH₃Br	bromosilane	sih3br
492	CH₃I	methyl iodide	ch3i
493	SiH₃I	Silyl Iodide	sih3i
494	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
495	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
496	NH₄Cl	Ammonium chloride	nh4cl
497	LiNe⁺	Lithium Neon cation	line+
498	Ne₂	Neon diatomic	ne2
499	Ar₂	Argon diatomic	ar2
500	Li₃⁺	Lithium trimer cation	li3+
501	C₃⁺	carbon trimer cation	c3+
502	SiC₂	Silicon dicarbide	sic2
503	C₃H₃	Propargyl radical	propargyl
504	C₃H₃^-	Propargyl anion	c3h3-
505	C₃H₄	cyclopropene	cprop
506	CH₂CCH₂	allene	allene
507	CH₃CCH	propyne	propyne
508	C₃H₅	Allyl radical	allyl
509	C₃H₅⁺	Allyl cation	allyl+
510	Zn(CH₃)₂	dimethyl zinc	dmz
511	C₃H₆	Cyclopropane	c3h6
512	CH₂CHCH₃	Propene	propene
513	C₃H₇⁺	cyclopropane, protonated	c3h7+
514	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
515	C₃H₈	Propane	propane
516	SiH₂(CH₃)₂	dimethylsilane	dms
517	Si₃H₈	trisilane	si3h8
518	NaCN	Sodium Cyanide	nacn
519	CuCN	Copper cyanide	cucn
520	AlCN	Aluminum monocyanide	alcn
521	AlNC	Aluminum isocyanide	alnc
522	CN₂	3H-Diazirin-3-ylidene	cn2
523	N₃^-	azide anion	n3-
524	HCNN	diazomethyl radical	hcnn
525	HNCNH	diiminomethane	hncnh
526	CH₂N₂	diazirine	ch2n2
527	CH₂NN	diazomethane	ch2nn
528	NH₂CN	cyanamide	cyanamide
529	HNNNH⁺	1,2-Triazadienium	n2h3+
530	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
531	CH₃CN	Acetonitrile	ch3cn
532	CH₃CN⁺	Acetonitrile cation	ch3cn+
533	CH₃NC	methyl isocyanide	ch3nc
534	CHNCH₂	2H-Azirine	c157164
535	CHNHCH	1H-Azirine	chnhch
536	H₂CCNH	Ethenimine	ch2cnh
537	H₂CNCH	methyleneaminomethylene	ch2nch
538	HCCNH₂	Ethynamine	hccnh2
539	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
540	NCNH₃⁺	Cyanamide, protonated	ncnh3+
541	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
542	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
543	NHCHNH₂	aminomethanimine	cn2h4
544	C₂H₅N	Aziridine	c2h5n
545	CH₂CHNH₂	aminoethene	aminoethene
546	CH₂NCH₃	N-methylmethanimine	nmm
547	CH₃CHNH	ethanimine	ethanimine
548	NH₂BHNH₂	diaminoborane	nh2bhnh2
549	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
550	C₂H₆N⁺	aziridine, protonated	c2h6n+
551	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
552	CH₃CH₂NH₂	Ethylamine	etam
553	CH₃NHCH₃	Dimethylamine	ch3nhch3
554	CH₃PHCH₃	dimethylphosphine	ch3phch3
555	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
556	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
557	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
558	Li₂O	dilithium oxide	li2o
559	Li₂S	dilithium sulfide	li2s
560	Na₂O	disodium monoxide	na2o
561	Na₂S	Sodium sulfide	na2s
562	CNO^-	fulminate	cno-
563	NCO^-	cyanate	nco-
564	SCN^-	thiocyanide anion	scn-
565	BO₂	Boron dioxide	bo2
566	BO₂^-	Boron dioxide anion	bo2-
567	N₂O	Nitrous oxide	n2o
568	N₂O⁺	Nitrous oxide cation	n2o+
569	NNS	Nitrogen sulfide	nns
570	PPO	Phosphorus oxide phosphide	ppo
571	CO₂	Carbon dioxide	co2
572	OCS	Carbonyl sulfide	cos
573	SiO₂	silicon dioxide	sio2
574	CS₂	Carbon disulfide	cs2
575	CS₂⁺	Carbon disulfide cation	cs2+
576	TiO₂	Titanium dioxide	tio2
577	SiS₂	Silicon disulfide	sis2
578	GeO₂	Germanium dioxide	geo2
579	OCSe	Carbonyl selenide	ocse
580	SCSe	Carbon sulfide selenide	scse
581	GeS₂	Germanium disulfide	ges2
582	CSe₂	Carbon diselenide	cse2
583	SCTe	Carbon sulfide Telluride	scte
584	PO₂	Phosphorus dioxide	po2
585	PO₂^-	Phosphorus dioxide anion	po2-
586	SNO	Nitrogen oxide sulfide	sno
587	O₃	Ozone	o3
588	SSO	Disulfur monoxide	sso
589	S₃	Sulfur trimer	s3
590	SeO₂	Selenium dioxide	seo2
591	TeO₂	Tellurium Dioxide	teo2
592	CS₂H⁺	Carbon disulfide, protonated	cs2h+
593	HCNO	fulminic acid	hcno
594	HNCO	Isocyanic acid	hnco
595	HOCN	cyanic acid	hocn
596	HNCS	Isothiocyanic acid	hncs
597	HSCN	thiocyanic acid	hscn
598	HCO₂^-	formate anion	hco2-
599	HNNO	nitrosoazane	hnno
600	HNNO⁺	Nitrous oxide, N-protonated	hnno+
601	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
602	HNO₂	Nitrous acid	hno2
603	HNO₂⁺	nitrous acid cation	hno2+
604	O₃H⁺	protonated ozone	o3h+
605	SO₂H⁺	protonated sulfur dioxide	so2h+
606	C₂H₂O	Oxirene	oxirene
607	CH₂CO	Ketene	ch2co
608	HCCOH	ethynol	hccoh
609	CH₂CS	Thioketene	ch2cs
610	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
611	NH₂NO	Nitrosamide	nh2no
612	CH₂O₂	Dioxirane	diox
613	H₂COO	Dioxymethyl radical	h2coo
614	H₂COO⁺	dioxymethyl cation	h2coo+
615	HCOOH	Formic acid	ch2o2
616	H₂O₃	Hydrogen trioxide	h2o3
617	HSSSH	trisulfane	hsssh
618	NaOCH₃	Sodium methoxide	naoch3
619	CH₂BOH	hydroxy(methylene)borane	ch2boh
620	BH₃CO	Borane carbonyl	bh3co
621	CH₃BO	Borane, methyloxo-	ch3bo
622	CH₂COH⁺	ketene, protonated	ch2coh+
623	CH₃CO	Acetyl radical	ch3co
624	CH₃CO^-	Acetyl anion	ch3co-
625	CH₃CO⁺	acetyl cation	ch3co+
626	CH₂NOH	formaldoxime	ch2noh
627	CH₃NO	nitrosomethane	ch3no
628	CHONH₂	formamide	formamide
629	CNOH₃	1,2-oxaziridine	cnoh3
630	HOCHNH	hydroxymethylimine	hochnh
631	CHSNH₂	thioformamide	chsnh2
632	NHCHSH	Methanimidothioic acid	nhchsh
633	CH₃OO	methylperoxy radical	ch3oo
634	CH₃OO^-	methylperoxy anion	ch3oo-
635	CH₃OO⁺	methylperoxy cation	ch3oo+
636	C₂H₄O	Ethylene oxide	c2h4o
637	CH₂CHOH	ethenol	ch2choh
638	CH₃CHO	Acetaldehyde	ch3cho
639	C₂H₄S	Thiirane	thiirane
640	CH₂CHSH	Ethenethiol	ch2chsh
641	CH₃CHS	Thioacetaldehyde	ch3chs
642	H₂CONH₂⁺	protonated formamide	h2conh2+
643	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
644	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
645	CH₂(OH)₂	methanediol	ch2o2h2
646	CH₃OOH	Methyl peroxide	ch3ooh
647	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
648	HSCH₂SH	Methanedithiol	ch4s2
649	H₂OH₂CO	water formaldehyde dimer	h2oh2co
650	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
651	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
652	NH₂CH₂OH	aminomethanol	nh2ch2oh
653	CH₃CH₂OH	Ethanol	etoh
654	CH₃OCH₃	Dimethyl ether	meome
655	CH₃CH₂SH	ethanethiol	etsh
656	CH₃SCH₃	Dimethyl sulfide	mesme
657	CH₃SeCH₃	dimethylselenide	dmse
658	CH₃OHH₂O	methanol water dimer	ch3ohh2o
659	H₂OCH₃OH	water methanol dimer	h2och3oh
660	CNF	iso cyanogen fluoride	cnf
661	FCN	Cyanogen fluoride	fcn
662	ClCN	chlorocyanogen	clcn
663	BrCN	Cyanogen bromide	brcn
664	ICN	Cyanogen iodide	icn
665	FBO	Boron monofluoride monoxide	fbo
666	BeF₂	Beryllium fluoride	bef2
667	MgF₂	Magnesium fluoride	mgf2
668	BeCl₂	Beryllium chloride	becl2
669	MgCl₂	Magnesium dichloride	mgcl2
670	CaCl₂	Calcium Chloride	cacl2
671	BeBr₂	Beryllium bromide	bebr2
672	CaBr₂	Calcium dibromide	cabr2
673	CaF₂	Calcium difluoride	caf2
674	FCO⁺	Carbonyl fluoride cation	fco+
675	FNO	Nitrosyl fluoride	fno
676	ClNO	Nitrosyl chloride	clno
677	FNS	Thionitrosyl fluoride	fns
678	FSN	Thiazyl fluoride	fsn
679	OPCl	Phosphorus oxychloride	opcl
680	BrNO	Nitrosyl bromide	brno
681	INO	Nitrosyl iodide	ino
682	CF₂	Difluoromethylene	cf2
683	CFCl	chlorofluoromethylene	cfcl
684	SiF₂	Silicon difluoride	sif2
685	CCl₂	dichloromethylene	ccl2
686	CCl₂^-	dichloromethylene anion	ccl2-
687	SiCl₂	Dichlorosilylene	sicl2
688	GeF₂	Germanium difluoride	gef2
689	GeCl₂	Germanium dichloride	gecl2
690	CBr₂	dibromomethylene	cbr2
691	FOO	Dioxygen monofluoride radical	foo
692	ClOO	chloroperoxy radical	cloo
693	ClS₂	Sulfur chloride	cls2
694	NF₂	Difluoroamino radical	nf2
695	PF₂⁺	Phosphorus difluoride cation	pf2+
696	FClO	chlorosyl fluoride	fclo
697	F₂O	Difluorine monoxide	f2o
698	ClOF	Chlorine hypofluorite	clof
699	SF₂	sulfur difluoride	sf2
700	Cl₂O	Dichlorine monoxide	cl2o
701	SCl₂	Sulfur dichloride	scl2
702	SeF₂	Selenium difluoride	sef2
703	BrOCl	Bromine hypochlorite	brocl
704	SeCl₂	Selenium Dichloride	secl2
705	SBr₂	Sulfur dibromide	sbr2
706	SeBr₂	Selenium dibromide	sebr2
707	BrOBr	Bromine oxide	brobr
708	F₃^-	trifluoride anion	f3-
709	Cl₃^-	trichloride anion	cl3-
710	Br₃^-	tribromide anion	br3-
711	I₃^-	triiodide	i3-
712	SFCl	Sulfur chloride fluoride	sfcl
713	HCCF	Fluoroacetylene	hccf
714	HCCCl	Chloroacetylene	hcccl
715	HCCBr	bromoacetylene	hccbr
716	HFCO	formyl fluoride	hfco
717	COHCl	Formyl chloride	cohcl
718	COHBr	Formyl bromide	cohbr
719	BHF₂	Difluoroborane	bhf2
720	BHCl₂	Borane, dichloro-	bhcl2
721	CHF₂⁺	difluoromethyl cation	chf2+
722	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
723	CHCl₂⁺	dichloromethyl cation	chcl2+
724	HOClO	Chlorous acid	hoclo
725	NHF₂	difluoramine	nhf2
726	NHCl₂	dichloroamine	nhcl2
727	CH₂F₂	Methane, difluoro-	ch2f2
728	CH₂FCl	fluorochloromethane	ch2fcl
729	SiH₂F₂	difluorosilane	sih2f2
730	CH₂Cl₂	Methylene chloride	ch2cl2
731	CH₂BrF	Methane, bromofluoro-	ch2fbr
732	CH₂BrCl	Methane, bromochloro-	ch2clbr
733	CH₂FI	fluoroiodomethane	ch2fi
734	CH₂Br₂	dibromomethane	ch2br2
735	CH₂ClI	chloroiodomethane	ch2cli
736	CH₂BrI	bromoiodomethane	ch2bri
737	CH₂I₂	Diiodomethane	ch2i2
738	SiH₂Cl₂	dichlorosilane	sih2cl2
739	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
740	CH₂CHF⁺	fluoroethene cation	ch2chf+
741	C₂H₃Cl	Ethene, chloro-	ch2chcl
742	C₂H₃Br	vinyl bromide	c2h3br
743	C₂H₃I	Vinyl iodide	c2h3i
744	CH₂FOH	fluoromethanol	ch2foh
745	CH₃OCl	methyl hypochlorite	ch3ocl
746	C₂H₅F	fluoroethane	c2h5f
747	CH₃CH₂Cl	Ethyl chloride	c2h5cl
748	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
749	C₂H₅Br	Ethyl bromide	etbr
750	C₂H₅I	Ethyl iodide	c2h5i
751	KrF₂	Krypton difluoride	krf2
752	XeF₂	Xenon difluoride	xef2
753	B₄H₁₀	Tetraborane(10)	b4h10
754	C₄⁺	Carbon tetramer cation	c4+
755	C₄H₂	Diacetylene	c4h2
756	C₂H₃CCH	1-Buten-3-yne	c2h3cch
757	C₄H₄	cyclobutadiene	cbd
758	C₄H₄	Tetrahedrane	c4h4
759	H₂CCCCH₂	Butatriene	h2cccch2
760	C₄H₆	1-Methylcyclopropene	c3100047
761	C₄H₆	Cyclobutene	c822355
762	C₄H₆	Methylenecyclopropane	c6142730
763	CH₂CCHCH₃	1,2-Butadiene	butad12
764	CH₂CHCHCH₂	1,3-Butadiene	c106990
765	CH₃CCCH₃	2-Butyne	c503173
766	CHCCH₂CH₃	1-Butyne	c107006
767	CH₃CHCHCH₂	methylallyl radical	c4h7
768	C₄H₈	methylcyclopropane	mcp
769	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
770	CH₂CHCH₂CH₃	1-Butene	bute1
771	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
772	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
773	B(CH₃)₃	trimethylborane	bme3
774	Al(CH₃)₃	trimethyl aluminum	tma
775	C(CH₃)₃	Tert-butyl radical	tbutyl
776	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
777	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
778	CH₃CH(CH₃)CH₃	Isobutane	isobutane
779	CH₃CH₂CH₂CH₃	Butane	butane
780	SiH(CH₃)₃	trimethylsilane	trimsi
781	Li₃N	trilithium nitride	li3n
782	C₂N₂	Cyanogen	c2n2
783	P₄	Phosphorus tetramer	p4
784	As₄	Arsenic tetramer	as4
785	HCCCN	Cyanoacetylene	hcccn
786	H₂CNCN	cyanamide, methylene	ch2ncn
787	HNCCNH	Ethenediimine	hnccnh
788	C₃H₃N	acrylonitrile	ch2chcn
789	CH₃N₃	methyl azide	ch3n3
790	NH₂CCNH₂	Diaminoacetylene	daa
791	NH₂CH₂CN	Aminoacetonitrile	aan
792	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
793	C₂H₅CN	ethyl cyanide	c2h5cn
794	CH₅N₃	Guanidine	guanidine
795	C₄H₆	Bicyclo[1.1.0]butane	c157335
796	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
797	H₂NCHCHNH₂	diaminoethylene	dae
798	CH₆N₃⁺	guanidinium	ch6n3+
799	C₃H₇N	Cyclopropylamine	cpram
800	CH₇N₃	triaminomethane	tam
801	C₃H₇N	Azetidine	azet
802	C₄H₈	cyclobutane	cbutane
803	C₂H₈N₂	Ethylenediamine	ethdiam
804	CH₃NHNHCH₃	dimethyl hydrazine	dmh
805	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
806	N(CH₃)₃	Trimethylamine	trimeam
807	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
808	P(CH₃)₃	trimethylphosphine	tmp
809	N(SiH₃)₃	trisilylamine	tsa
810	As(CH₃)₃	trimethyl arsine	tmas
811	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
812	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
813	Li₂O₂	dilithium dioxide	li2o2
814	Na₂O₂	disodium dioxide	na2o2
815	K₂O₂	dipotassium dioxide	k2o2
816	C₃O	Tricarbon monoxide	c3o
817	B₂O₂	Diboron dioxide	b2o2
818	ONNO	NO dimer	onno
819	S₂N₂	Disulfur dinitride	s2n2
820	CO₃	Carbon trioxide	co3
821	CO₃^--	carbonate	co3--
822	CS₃^--	Carbonotrithioate	cs3--
823	NO₃	Nitrogen trioxide	no3
824	NO₃^-	nitrate anion	no3-
825	SO₃	Sulfur trioxide	so3
826	SO₃^--	Sulfate dianion	so3--
827	SeO₃	selenium trioxide	seo3
828	S₄	Sulfur tetramer	s4
829	TeO₃	Tellurium trioxide	teo3
830	HNO₃	Nitric acid	hno3
831	NH₂NO₂	nitramide	nh2no2
832	C₂H₂CO	cyclopropenone	c2h2co
833	C₃H₂O	Propadienal	c3h2o
834	HCCCHO	2-propynal	hcccho
835	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
836	H₂CO₃	Carbonic acid	h2co3
837	H₂CS₃	thiocarbonic acid	h2cs3
838	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
839	H₂SO₃	Sulfurous acid	h2so3
840	C₂H₃NO	Nitrosoethylene	c2h3no
841	CH₃NCO	methylisocyante	ch3nco
842	HOCH₂CN	cyanomethanol	hoch2cn
843	CH₃COO^-	acetate anion	ch3coo-
844	CH₃NO₂	Methane, nitro-	ch3no2
845	CH₃ONO	Methyl nitrite	ch3ono
846	NH₂COOH	Carbamic acid	nh2cooh
847	H₃BO₃	Boric acid	h3bo3
848	H₃AlO₃	Aluminum hydroxide	h3alo3
849	H₃CO₃⁺	carbonic acid, protonated	h3co3+
850	C₃H₄O	2-Propyn-1-ol	c107197
851	C₃H₄O	allenol	c9000071
852	C₃H₄O	Cyclopropanone	cpone
853	C₃H₄O	Methylketene	c6004440
854	CH₂CHCHO	Acrolein	c3h4o
855	NH₂CONH₂	Urea	urea
856	NH₂CONH₂⁺	Urea cation	urea+
857	NH₂CSNH₂	Thiourea	thiourea
858	C₂H₄O₂	1,3-dioxetane	c2h4o2
859	CH₃COOH	Acetic acid	ch3cooh
860	CH₃OCHO	methyl formate	ch3ocho
861	CHOCH₂OH	hydroxy acetaldehyde	haa
862	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
863	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
864	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
865	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
866	HCOOHH₂O	Formic acid water dimer	hcoohh2o
867	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
868	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
869	CH₃C(OH)=NH	Ethaninidic acid	eia
870	CH₃CHNOH	Acetaldoxime	acetaldoxime
871	CH₃CONH₂	Acetamide	acetamide
872	HCONHCH₃	N-methylformamide	nmfa
873	CH₃CSNH₂	Ethanethioamide	ch3csnh2
874	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
875	H₂NCOHNH₂⁺	urea, protonated	ureah+
876	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
877	C₃H₅OH	Cyclopropanol	cproh
878	C₃H₆O	2-Propen-1-ol	c107186
879	C₃H₆O	Acetone enol	enol
880	C₃H₆O	Oxetane	oxetane
881	C₃H₆O	Propylene oxide	prox
882	CH₃CH₂CHO	Propanal	propanal
883	CH₃COCH₃	Acetone	acetone
884	C₃H₆S	Thietane	thietane
885	C₃H₆S	Thiirane, methyl-	methiirane
886	CH₃CSCH₃	Thioacetone	ch3csch3
887	C₂H₆O₂	1,2-Ethanediol	ethdiol
888	CH₃OOCH₃	dimethylperoxide	dmp
889	CH₃SOCH₃	Dimethyl sulfoxide	dmso
890	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
891	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
892	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
893	HOCH₂CH₂NH₂	monoethanolamine	mea
894	C₃H₇OH	1-Propanol	proh
895	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
896	CH₃OC₂H₅	Ethane, methoxy-	etome
897	C₃H₇SH	1-Propanethiol	prsh
898	CH₃CHSHCH₃	2-Propanethiol	isoprsh
899	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
900	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
901	Li₂F₂	Lithium fluoride dimer	li2f2
902	Na₂F₂	Sodium Fluoride Dimer	na2f2
903	Na₂Cl₂	Disodium dichloride	na2cl2
904	C₂F₂	difluoroacetylene	c2f2
905	C₂Cl₂	dichloroacetylene	c2cl2
906	FNO₂	Nitryl fluoride	fno2
907	FONO	Nitrosyl hypofluorite	fono
908	ClNO₂	Nitryl chloride	clno2
909	BrONO	Bromine nitrite	brono
910	N₂F₂	(Z)-Difluorodiazene	n2f2_z
911	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
912	CF₂O	Carbonic difluoride	f2co
913	COFCl	Carbonic chloride fluoride	cofcl
914	CCl₂O	Phosgene	cl2co
915	Cl₂CS	Thiophosgene	cl2cs
916	COBr₂	Carbonic dibromide	cobr2
917	BF₃	Borane, trifluoro-	bf3
918	AlF₃	Aluminum trifluoride	alf3
919	BClF₂	Chlorodifluoroborane	bclf2
920	AlF₂Cl	Aluminum chloride difluoride	alclf2
921	ScF₃	Scandium trifluoride	ScF3
922	AlFCl₂	Aluminum dichloride fluoride	alcl2f
923	BCl₃	Borane, trichloro-	bcl3
924	GaF₃	Gallium trifluoride	gaf3
925	AlCl₃	Aluminum trichloride	alcl3
926	GaCl₃	Gallium trichloride	gacl3
927	BBr₃	Boron tribromide	bbr3
928	AlBr₃	Aluminum Bromide	albr3
929	ClO₃	Chlorine trioxide	clo3
930	ClO₃^-	chlorate anion	clo3-
931	BrO₃^-	Bromate anion	bro3-
932	CF₃	Trifluoromethyl radical	cf3
933	CCl₃	Trichloromethyl radical	ccl3
934	SiCl₃	trichlorosilyl radical	sicl3
935	SiCl₃⁺	trichlorosilyl cation	sicl3+
936	FOOF	Perfluoroperoxide	foof
937	ClO₂F	Chloryl fluoride	clo2f
938	F₂SO	Thionyl Fluoride	f2so
939	ClOOCl	Dichlorine dioxide	cloocl
940	FSSF	Difluorodisulfane	fssf
941	S₂F₂	Thio-thionyl fluoride	s2f2
942	SOCl₂	thionyl chloride	socl2
943	SSCl₂	Thiothionyl chloride	sscl2
944	SeOCl₂	selenium oxychloride	seocl2
945	PF₃	Phosphorus trifluoride	pf3
946	NCl₃	nitrogen trichloride	ncl3
947	AsF₃	Arsenic trifluoride	asf3
948	PCl₃	Phosphorus trichloride	pcl3
949	SbF₃	Antimony Trifluoride	sbf3
950	AsCl₃	Arsenous trichloride	ascl3
951	SbCl₃	Antimony Trichloride	sbcl3
952	PBr₃	Phosphorus tribromide	pbr3
953	AsBr₃	Arsenic tribromide	asbr3
954	NI₃	Nitrogen triiodide	ni3
955	PI₃	Phosphorus triiodide	pi3
956	ClSSCl	Disulfur dichloride	s2cl2
957	ClF₃	Chlorine trifluoride	clf3
958	BrF₃	Bromine trifluoride	brf3
959	IF₃	iodone trifluoride	if3
960	HClO₃	Chloric Acid	hclo3
961	CHF₃	Methane, trifluoro-	chf3
962	CHF₂Cl	difluorochloromethane	chf2cl
963	SiHF₃	trifluorosilane	sihf3
964	CHFCl₂	fluorodichloromethane	chfcl2
965	CDCl₃	trichloromethane-d	cdcl3
966	CHCl₃	Chloroform	chcl3
967	CHBrF₂	Methane, bromodifluoro-	chbrf2
968	SiHCl₃	Trichlorosilane	sihcl3
969	CHFClBr	fluorochlorobromomethane	chfclbr
970	CHBrCl₂	Methane, bromodichloro-	chbrcl2
971	CHF₂I	difluoroiodomethane	chf2i
972	CHBr₂F	dibromofluoromethane	chbr2f
973	CHFClI	fluorochloroiodomethane	chfcli
974	CHCl₂I	dichloroiodomethane	chcl2i
975	CHClBr₂	Methane, dibromochloro-	chclbr2
976	CHBr₃	bromoform	chbr3
977	CHI₃	Iodoform	chi3
978	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
979	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
980	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
981	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
982	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
983	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
984	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
985	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
986	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
987	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
988	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
989	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
990	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
991	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
992	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
993	CH₃COF	Acetyl fluoride	ch3cof
994	CH₂ClCHO	chloroacetaldehyde	ch2clcho
995	CH₃COCl	Acetyl Chloride	ch3cocl
996	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
997	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
998	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
999	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1000	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1001	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1002	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1003	CH₂CFCH₃	2-fluoropropene	2fpro
1004	CH₂CHCH₂F	Allyl Fluoride	allylf
1005	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1006	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1007	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1008	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1009	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1010	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1011	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1012	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1013	CH₃CHFCH₃	2-Fluoropropane	prf2
1014	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1015	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1016	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1017	CH₃CHBrCH₃	i-propyl bromide	iprbr
1018	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1019	B₅H₉	pentaborane9	b5h9
1020	C₅H₄	pentatetraene	ptrene
1021	C₅H₅	cyclopentadienyl radical	c5h5
1022	C₅H₅^-	cylopentadienyl anion	c5h5-
1023	C₅H₆	1,3-Cyclopentadiene	c542927
1024	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1025	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1026	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1027	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1028	C₅H₆	Cyclopropylacetylene	c6746947
1029	C₅H₆	Propellane	propellane
1030	C₅H₇	1,3-pentadienyl radical	pdyl
1031	C₅H₇	cyclopentenyl radical	cpyl
1032	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1033	C₅H₈	1,2-Pentadiene	c591957
1034	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1035	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1036	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1037	C₅H₈	1,4-Pentadiene	c591935
1038	C₅H₈	1-pentyne	a1pentyne
1039	C₅H₈	2,3-Pentadiene	c591968
1040	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1041	C₅H₈	Cyclobutane, methylene-	c1120565
1042	C₅H₈	Cyclopentene	c142290
1043	C₅H₈	Ethenylcyclopropane	c693867
1044	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1045	C₅H₁₀	1-Butene, 2-methyl-	c563462
1046	C₅H₁₀	2-Butene, 2-methyl-	c513359
1047	C₅H₁₀	2-Pentene, (E)-	c646048
1048	C₅H₁₀	2-Pentene, (Z)-	c627203
1049	C₅H₁₀	Cyclopentane	c287923
1050	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1051	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1052	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1053	C₅H₁₂	Butane, 2-methyl-	buta2
1054	C₅H₁₂	Pentane	pentane
1055	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1056	Si(CH₃)₄	tetramethylsilane	tms
1057	N₂O₃	Dinitrogen trioxide	n2o3
1058	C₃H₂N₂	Malononitrile	c3h2n2
1059	CH₂N₄	1H-Tetrazole	1htz
1060	C₃H₃N₂^-	imidizolyl anion	im-
1061	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1062	C₄H₄N^-	pyrrolide anion	c4h4n-
1063	C₃H₄N₂	1H-Pyrazole	1hpyraz
1064	C₃H₄N₂	2H-Imidazole	imid2h
1065	C₃H₄N₂	4H-Imidazole	imid4h
1066	C₄H₅N	(E)-2-Butenenitrile	c627269
1067	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1068	C₄H₅N	2H-pyrrole	pyrrole2
1069	C₄H₅N	3H-pyrrole	pyrrole3
1070	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1071	C₄H₅N	Pyrrole	pyrrole
1072	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1073	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1074	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1075	C₄H₆N⁺	pyrrole, protonated	ppyr
1076	C₃H₆N₂	3-Aminopropionitrile	c151188
1077	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1078	CH₃CH₂CH₂CN	Butanenitrile	c109740
1079	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1080	C₅H₈	Spiropentane	c157404
1081	C₄H₉N	Cyclobutylamine	cbam
1082	C₄H₉N	Pyrrolidine	pyrrolidine
1083	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1084	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1085	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1086	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1087	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1088	NH(C₂H₅)₂	diethylamine	dea
1089	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1090	C₃O₂	Carbon suboxide	c3o2
1091	B₂O₃	diboron trioxide	b2o3
1092	MgCO₃	Magnesium Carbonate	mgco3
1093	BeCO₃	Beryllium Carbonate	beco3
1094	CaCO₃	Calcium Carbonate	caco3
1095	ONONO	Nitrosyl nitrite	onono
1096	PO₄^---	phosphate	po4---
1097	SO₄^--	sulfate	so4--
1098	HOONO₂	peroxy nitric acid	hoono2
1099	HSO₄^-	bisulfate anion	hso4-
1100	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1101	C₃H₂O₂	Propiolic acid	c3h2o2
1102	CHOCOOH	oxo acetic acid	oaa
1103	CHOOCHO	diformyl ether	choocho
1104	H₂SO₄	Sulfuric acid	h2so4
1105	H₂SeO₄	Selenic acid	h2seo4
1106	C₃H₃NO	Isoxazole	isox
1107	C₃H₃NO	Oxazole	oxazole
1108	C₃H₃NS	Thiazole	thiazole
1109	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1110	CH₃NO₃	Methyl nitrate	ch3no3
1111	H₃PO₄	Phosphoric Acid	h3po4
1112	C₄H₄O	Furan	furan
1113	C₄H₄O⁺	Furan cation	furan+
1114	CH₃COCCH	3-butyn-2-one	c1423605
1115	C₄H₄S	Thiophene	furans
1116	C₄H₄Se	selenophene	c4h4se
1117	C₃H₄O₂	β–Propiolactone	beta
1118	C₃H₄O₂	2-Propenoic acid	propenoic2
1119	C₃H₄O₂	Methyl glyoxal	megly
1120	C₃H₄O₂	propanedial	propanedial
1121	C₃H₄O₂	propenalol	propenalol
1122	HOCHCCHOH	allenediol	aldiol
1123	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1124	C₂H₄O₃	trioxolane124	triox
1125	HOCH₂COOH	Hydroxyacetic acid	hac
1126	CH₂CHCONH₂	Acrylamide	c79061
1127	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1128	CH₅N₃S	Hydrazinecarbothioamide	c79196
1129	H₂NCH₂COOH	Glycine	glycine
1130	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1131	C₄H₆O	cis-2-butenal	butenal2c
1132	C₄H₆O	Cyclobutanone	cbutone
1133	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1134	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1135	CH₂CHOCHCH₂	Vinyl ether	vinylether
1136	CHOCHCHCH₃	2-Butenal	butenal2
1137	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1138	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1139	CH₂CHSCHCH₂	Divinyl sulfide	divis
1140	C₂H₆N₂O	Urea, methyl-	c598505
1141	C₃H₆O₂	1,3-Dioxolane	dioxolane
1142	CH₃CH₂COOH	Propanoic Acid	propanoic
1143	CH₃COOCH₃	methyl acetate	aame
1144	HCOOC₂H₅	Ethyl formate	faee
1145	C₂H₆O₂S	Dimethyl sulfone	c67710
1146	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1147	C₃H₇NO	dimethylformamide	dmf
1148	C₃H₇NO	Propanamide	propanam
1149	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1150	C₄H₈O	Cyclobutanol	c2919235
1151	C₄H₈O	Furan, tetrahydro-	thf
1152	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1153	CH₃COCH₂CH₃	2-Butanone	buta2one
1154	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1155	CHOCH₂CH₂CH₃	Butanal	butanal
1156	C₄H₈S	Thiophene, tetrahydro-	tht
1157	C₃H₈O₂	1,3-Propanediol	c504632
1158	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1159	C₃H₈O₂	Methane, dimethoxy-	c109875
1160	C₃H₈O₂	Propylene glycol	c57556
1161	C₃H₈S₂	1,3-Propanedithiol	c109808
1162	C₄H₁₀O	1-Butanol	butanol1
1163	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1164	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1165	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1166	C₄H₁₀O	Ethoxy ethane	etoet
1167	C₄H₁₀O	Methyl propyl ether	meopr
1168	C₄H₁₀O	Propane, 2-methoxy-	c598538
1169	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1170	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1171	C₂H₅SC₂H₅	Diethyl sulfide	etset
1172	C₄H₉SH	1-Butanethiol	bush
1173	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1174	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1175	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1176	FNO₃	Fluorine nitrate	fno3
1177	ClONO₂	Chlorine nitrate	clono2
1178	BrONO₂	Bromine nitrate	brono2
1179	TiCl₄	Titanium tetrachloride	ticl4
1180	ClO₄^-	perchlorate anion	clo4-
1181	BF₄^-	tetrafluoroboron anion	bf4-
1182	ClFO₃	Perchloryl fluoride	clfo3
1183	SO₂F₂	Sulfuryl fluoride	so2f2
1184	SO₂Cl₂	Sulfuryl chloride	so2cl2
1185	F₃NO	Nitrogen trifluoride oxide	f3no
1186	F₃PO	Phosphoryl fluoride	pf3o
1187	Cl₃PO	Phosphoryl chloride	pcl3o
1188	CF₄	Carbon tetrafluoride	cf4
1189	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1190	SiF₄	Silicon tetrafluoride	sif4
1191	CF₂Cl₂	difluorodichloromethane	cf2cl2
1192	TiF₄	Titanium tetrafluoride	tif4
1193	CFCl₃	Trichloromonofluoromethane	cfcl3
1194	CF₃Br	Bromotrifluoromethane	cf3br
1195	GeF₄	Germanium tetrafluoride	gef4
1196	CCl₄	Carbon tetrachloride	ccl4
1197	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1198	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1199	SiCl₄	Silane, tetrachloro-	sicl4
1200	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1201	CF₃I	trifluoroiodomethane	cf3i
1202	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1203	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1204	GeCl₄	Germanium Tetrachloride	gecl4
1205	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1206	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1207	CCl₃I	trichloroiodomethane	ccl3i
1208	CFBr₃	fluorotribromomethane	cfbr3
1209	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1210	CBr₃Cl	tribromochloromethane	cbr3cl
1211	CF₂I₂	difluorodiiodomethane	cf2i2
1212	CBr₄	Carbon tetrabromide	cbr4
1213	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1214	SiBr₄	Silicon tetrabromide	sibr4
1215	CBr₃I	tribromoiododmethane	cbr3i
1216	GeBr₄	Germanium tetrabromide	gebr4
1217	CI₄	tetraiodomethane	ci4
1218	SiI₄	silicon tetraiodide	sii4
1219	ClOF₃	Chlorine trifluoride oxide	clof3
1220	SF₄	Sulfur tetrafluoride	sf4
1221	SeF₄	Selenium tetrafluoride	sef4
1222	SCl₄	Sulfur tetrachloride	scl4
1223	C₂HF₃	Trifluoroethylene	c2hf3
1224	CHClCCl₂	Trichloroethylene	chclccl2
1225	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1226	HClO₄	perchloric acid	hclo4
1227	HSO₃F	Fluorosulfonic acid	hso3f
1228	CF₃OH	trifluoromethanol	cf3oh
1229	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1230	CHClCCHCl	1,3-dichloroallene	chclcchcl
1231	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1232	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1233	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1234	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1235	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1236	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1237	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1238	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1239	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1240	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1241	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1242	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1243	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1244	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1245	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1246	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1247	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1248	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1249	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1250	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1251	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1252	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1253	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1254	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1255	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1256	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1257	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1258	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1259	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1260	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1261	C₄H₉F	1-fluorobutane	butaf1
1262	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1263	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1264	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1265	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1266	XeF₄	Xenon tetrafluoride	xef4
1267	C₂H₂N₂O	Furazan	furazan
1268	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1269	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1270	C₆H₂	hexatriyne	c6h2
1271	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1272	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1273	C₆H₄	Benzyne	benzyne
1274	C₆H₅	phenyl	phenyl
1275	C₆H₅^-	phenyl anion	phenyl-
1276	C₆H₆	Prismane	prismane
1277	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1278	C₆H₆	2,4-Hexadiyne	hexadiyne
1279	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1280	C₆H₆	Benzene	benzene
1281	C₆H₆	Benzvalene	bv
1282	C₆H₆	Dewar Benzene	dewar
1283	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1284	C₆H₆	Trimethylenecycopropane	tmcp
1285	C₆H₆⁺	Benzene cation	c6h6+
1286	C₆H₇⁺	benzene, protonated	c6h7+
1287	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1288	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1289	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1290	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1291	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1292	C₆H₈	3-Methylenecyclopentene	c930267
1293	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1294	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1295	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1296	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1297	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1298	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1299	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1300	C₆H₁₀	1,5-Hexadiene	c592427
1301	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1302	C₆H₁₀	1-Hexyne	hexyne1
1303	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1304	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1305	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1306	C₆H₁₀	2-Hexyne	c764352
1307	C₆H₁₀	3-Hexyne	hexyne3
1308	C₆H₁₀	cyclohexene	cyclohexene
1309	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1310	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1311	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1312	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1313	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1314	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1315	C₆H₁₂	(E)-2-Hexene	e2hexene
1316	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1317	C₆H₁₂	(E)-hex-3-ene	e3hexene
1318	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1319	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1320	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1321	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1322	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1323	C₆H₁₂	3-methylenepentane	c760214
1324	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1325	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1326	C₆H₁₂	Cyclohexane	cyclohexane
1327	C₆H₁₂	Cyclopentane, methyl-	c96377
1328	C₆H₁₂	Ethylcyclobutane	c4806615
1329	C₆H₁₂	hex-1-ene	hexene1
1330	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1331	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1332	C₆H₁₄	Hexane	hexane
1333	C₆H₁₄	Pentane, 2-methyl-	penta2
1334	C₆H₁₄	Pentane, 3-methyl-	penta3
1335	C₄N₂	2-Butynedinitrile	c4n2
1336	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1337	C₄H₂N₂	Fumaronitrile	c4h2n2
1338	C₂H₂N₄	sym-tetrazine	ttz
1339	C₃H₃N₃	1,3,5-Triazine	triazine135
1340	CH₃N₅	5-Aminotetrazole	c4418615
1341	C₄H₄N₂	1,3-Diazine	diazine13
1342	C₄H₄N₂	Pyrazine	pyrazine
1343	C₄H₄N₂	Pyridazine	pyridazine
1344	C₄H₄N₂	Succinonitrile	c110612
1345	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1346	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1347	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1348	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1349	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1350	C₅H₅N	Pyridine	pyridine
1351	B₃N₃H₆	borazine	borazine
1352	C₆H₆	Fulvene	fulvene
1353	C₅H₆N⁺	Pyridinium	c5h6n
1354	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1355	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1356	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1357	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1358	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1359	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1360	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1361	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1362	C₅H₉N	Pentanenitrile	c110598
1363	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1364	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1365	C₅H₁₁N	Cyclopentanamine	cypentam
1366	C₅H₁₁N	Piperidine	piper
1367	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1368	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1369	Li₂CO₃	Lithium Carbonate	li2co3
1370	Na₂CO₃	Sodium Carbonate	na2co3
1371	C₂O₄^--	oxalate anion	c2o4
1372	MgSO₄	Magnesium Sulfate	mgso4
1373	N₂O₄	Dinitrogen tetroxide	n2o4
1374	C₃H₂O₃	vinylene carbonate	vica
1375	C₂H₂O₄	Oxalic Acid	oxalic
1376	C₂H₃NO₃	Oxamic acid	oxamic
1377	C₄H₄O₂	2(5H)-Furanone	furanone
1378	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1379	C₂H₄N₂O₂	Oxalamide	oxalamide
1380	C₂H₄N₂S₂	Ethanedithioamide	c79403
1381	C₂H₄CO₃	Ethylene carbonate	etco3
1382	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1383	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1384	C₂H₄O₄	Formic acid dimer	fadimer
1385	C₄H₅NO	3-Methylisoxazole	isox3m
1386	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1387	C₄H₅NS	4-Methylthiazole	c693958
1388	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1389	C₅H₆O	2H-Pyran	pyran2
1390	C₅H₆O	2-methylfuran	furan2m
1391	C₅H₆O	3-Methylfuran	furan3m
1392	C₅H₆O	Pentadienal	pdal
1393	C₅H₆S	Thiophene, 2-methyl-	c554143
1394	C₅H₆S	Thiophene, 3-methyl-	c616444
1395	C₄H₆O₂	γ–Butyrolactone	c96480
1396	C₄H₆O₂	2,3-Butanedione	c431038
1397	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1398	C₄H₆O₂	Crotonic Acid	crot
1399	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1400	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1401	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1402	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1403	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1404	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1405	C₄H₆OS	Vinyl sulfoxide	c1115157
1406	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1407	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1408	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1409	C₃H₆O₃	1,3,5-Trioxane	trioxane
1410	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1411	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1412	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1413	C₄H₇NO	2-Pyrrolidinone	c616455
1414	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1415	C₄H₇NO	Methacrylamide	c79390
1416	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1417	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1418	C₃H₇ONO	Propyl nitrite	prono
1419	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1420	CH₃CH(NH₂)COOH	Alanine	alanine
1421	CH₃NHCH₂COOH	Sarcosine	sarcosine
1422	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1423	NH₂COOC₂H₅	Urethane	urethane
1424	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1425	C₅H₈O	Cyclopentanone	c120923
1426	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1427	C₅H₈O	Methyl cyclopropyl ketone	c765435
1428	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1429	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1430	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1431	C₄H₈O₂	1,3-Dioxane	dioxan13
1432	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1433	C₄H₈O₂	1,4-Dioxane	dioxan14
1434	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1435	C₄H₈O₂	Ethyl acetate	c141786
1436	C₄H₈OS	s-Ethyl thioacetate	c625605
1437	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1438	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1439	C₄H₉NO	Butanamide	c541355
1440	C₄H₉NO	Propanamide, 2-methyl-	c563837
1441	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1442	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1443	C₅H₁₀O	2-methylbutyraldehyde	2meba
1444	C₅H₁₀O	2-Pentanone	mpk
1445	C₅H₁₀O	3-Pentanone	dek
1446	C₅H₁₀O	Cyclopentanol	c96413
1447	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1448	C₅H₁₀O	Pentanal	pal
1449	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1450	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1451	C₅H₁₀S	Cyclopentanethiol	c1679078
1452	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1453	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1454	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1455	C₄H₁₀O₂	1,3-Butanediol	budiol13
1456	C₄H₁₀O₂	1,4-Butanediol	budiol14
1457	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1458	C₄H₁₀OS	Diethyl sulfoxide	c70291
1459	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1460	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1461	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1462	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1463	C₅H₁₂O	1-Pentanol	pentanol1
1464	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1465	C₅H₁₂O	2-Pentanol	peol2
1466	C₅H₁₂O	3-Pentanol	pentan3ol
1467	C₅H₁₂O	Butane, 1-methoxy-	meobu
1468	C₅H₁₂O	Propane, 1-ethoxy-	proet
1469	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1470	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1471	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1472	C₅H₁₂S	1-Pentanethiol	c110667
1473	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1474	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1475	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1476	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1477	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1478	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1479	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1480	C₄F₂	difluorobutadiyne	c4f2
1481	ClCOClCO	Oxalyl chloride	oxcl
1482	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1483	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1484	B₂F₄	Diboron tetrafluoride	b2f4
1485	B₂Cl₄	Diboron tetrachloride	b2cl4
1486	C₂F₄	Tetrafluoroethylene	c2f4
1487	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1488	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1489	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1490	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1491	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1492	C₂FCl₃	fluorotrichloroethene	c2fcl3
1493	C₂Cl₄	Tetrachloroethylene	c2cl4
1494	C₂Br₄	tetrabromoethene	c2br4
1495	CF₃OF	Trifluoromethylhypofluorite	cf3of
1496	SiF₅^-	silicon pentafluoride anion	sif5-
1497	SOF₄	Sulfur tetrafluoride oxide	sof4
1498	PF₅	Phosphorus pentafluoride	pf5
1499	AsF₅	Arsenic pentafluoride	asf5
1500	PCl₅	Phosphorus pentachloride	pcl5
1501	SF₅⁺	pentafluoro sulfur cation	sf5+
1502	SbCl₅	Antimony pentachloride	sbcl5
1503	BrF₅	bromine pentafluoride	brf5
1504	ClF₅	chlorinepentafluoride	clf5
1505	IF₅	pentafluoroiodine	if5
1506	CF₃CHO	trifluoroacetaldehyde	cf3cho
1507	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1508	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1509	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1510	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1511	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1512	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1513	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1514	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1515	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1516	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1517	CF₃COOH	trifluoroacetic acid	cf3cooh
1518	C₄H₃ClO	Furan, 2-chloro	fur2cl
1519	C₄H₃ClO	Furan,3-chloro	fur3cl
1520	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1521	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1522	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1523	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1524	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1525	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1526	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1527	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1528	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1529	C₄H₈O₂	Butanoic acid	bua
1530	C₆H₅CH₂	benzyl radical	benzyl
1531	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1532	C₆H₅CH₃	toluene	toluene
1533	C₇H₈	cycloheptatriene	cht
1534	C₇H₈	Norbornadiene	norbor
1535	C₇H₈	Quadricyclane	qucy
1536	C₇H₁₂	Norbornane	nor
1537	C₇H₁₄	cycloheptane	c7h14
1538	C₇H₁₆	2-methylhexane	2mhex
1539	C₇H₁₆	3-methylhexane	hex3m
1540	C₇H₁₆	heptane	heptane
1541	CH(CN)₃	tricyanomethane	mecn3
1542	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1543	C₆H₇N	2-Methylpyridine	mp
1544	C₆H₅NH₂	aniline	aniline
1545	C₆H₁₃N	2-Methylpiperidine	pip2m
1546	C₆H₁₃N	cyclohexanamine	cham
1547	C₆H₁₅N	triethylamine	tea
1548	N₂O₅	Dinitrogen pentoxide	n2o5
1549	C₄H₂O₃	Maleic Anhydride	malan
1550	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1551	C₅H₄O₂	furfural	furfural
1552	C₅H₅NO	2(1H)-Pyridinone	c72762006
1553	C₅H₅NO	2(3H)-Pyridinone	c9000048
1554	C₅H₅NO	2(5H)-Pyridinone	c9000037
1555	C₅H₅NO	2-Pyridinol	c109104
1556	C₅H₅NO	3(2H)-Pyridinone	c9000004
1557	C₅H₅NO	3(4H)-Pyridinone	c9000026
1558	C₅H₅NO	3(6H)-Pyridinone	c9000015
1559	C₅H₅NO	3-Pyridinol	c109002
1560	C₅H₅NO	4(1H)-Pryidinone	c9000060
1561	C₅H₅NO	4(3H)-Pryidinone	c9000059
1562	C₅H₅NO	4-Pyridinol	c626642
1563	C₆H₅OH	phenol	phenol
1564	C₆H₆O	2,4-Cyclohexadienone	c24599573
1565	C₆H₆O	2,5-Cyclohexadienone	c5664335
1566	C₆H₅SH	Benzenethiol	phsh
1567	HO₂CCHNH₂CH₂OH	Serine	serine
1568	C₅H₈O₂	Acetylacetone	acac
1569	C₄H₈O₂S	Sulfolane	sulfolane
1570	C₇H₁₀	Norbornene	norbornene
1571	CH(C₂H₃)₃	trivinyl methane	tvm
1572	C₆H₁₀O	cyclohexanone	chexo
1573	C₆H₁₂O	hexanal	c6h12o
1574	C₆H₁₂O	Oxepane	oxepane
1575	C₃H₇OC₃H₇	di-n-propyl ether	propr
1576	F₂CCCF₂	tetrafluoroallene	pfa
1577	CF₃COO^-	trifluoro acetate anion	cf3coo-
1578	CF₃COF	trifluoroacetyl fluoride	cf3cof
1579	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1580	PF₆^-	Hexafluorophosphate ion	pf6-
1581	SF₆	Sulfur Hexafluoride	sf6
1582	SeF₆	Selenium hexafluoride	sef6
1583	SF₅Cl	sulfur chloropentafluoride	sf5cl
1584	CF₃CHF₂	pentafluoroethane	cf3chf2
1585	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1586	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1587	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1588	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1589	C₆H₅F	Fluorobenzene	bzf
1590	C₆H₅Cl	chlorobenzene	bzcl
1591	C₆H₅Br	bromobenzene	bzbr
1592	C₈H₆	Calicene	calicene
1593	C₆H₅CCH	phenylacetylene	phac
1594	C₈H₆	benzocyclobutadiene	bcbd
1595	C₈H₆	Pentalene	pentalene
1596	C₆H₅CHCH₂	Styrene	styrene
1597	C₈H₈	cubane	cubane
1598	C₈H₈	cyclooctatetraene	cot
1599	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1600	CH₃C₆H₄CH₃	meta-xylene	mxylene
1601	CH₃C₆H₄CH₃	paraxylene	pxylene
1602	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1603	C₈H₁₆	cyclooctane	cyclooct
1604	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1605	C₈H₁₈	Octane	c8h18
1606	C₆H₅CN	phenyl cyanide	phcn
1607	C₆H₁₂N₂	Triethylenediamine	ted
1608	C₄O₄^--	squarate dianion	c4o4--
1609	S₄N₄	Tetrasulfur tetranitride	s4n4
1610	S₈	Octasulfur	s8
1611	C₆H₄O₂	parabenzoquinone	pbq
1612	C₄H₄N₂O₂	Uracil	uracil
1613	C₆H₅OCH₃	Anisole	anisole
1614	C₅H₉NO₂	Proline	proline
1615	C₆H₁₂O₂	Methyl pivalate	c598981
1616	C₆H₁₂O₂	Hexanoic acid	hexa
1617	C₄F₄	tetrafluorcyclobutadiene	c4f4
1618	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1619	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1620	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1621	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1622	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1623	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1624	C₂F₆	hexafluoroethane	c2f6
1625	C₂Cl₆	hexachloroethane	c2cl6
1626	IF₇	Iodine heptafluoride	if7
1627	C₆H₄F₂	metadifluorobenzene	mdfb
1628	C₆H₄F₂	orthodifluorobenzene	odfb
1629	C₆H₄F₂	1,4-difluorobenzene	pdfb
1630	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1631	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1632	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1633	C₆H₅NO	nitrosobenzene	bzno
1634	C₉H₈	Indene	indene
1635	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1636	C₉H₁₂	n-propyl benzene	prbz
1637	C₉H₂₀	Nonane	nonane
1638	C(CN)₄	tetracyanomethane	c5n4
1639	C₅H₄N₄	purine	purine
1640	C₈H₇N	Indole	indole
1641	C₃H₃N₃O₃	cyanuric acid	cyanuric
1642	C₆H₅NO₂	Nitrobenzene	c6h5no2
1643	C₆H₅COOH	benzoic acid	benzo
1644	CH₃COC₆H₅	acetophenone	acph
1645	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1646	C₃F₆	hexafluoropropene	c3f6
1647	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1648	C₈H₁₈O	1-Octanol	octanol
1649	C₁₀H₈	Azulene	azu
1650	C₁₀H₈	naphthalene	naph
1651	C₁₀H₁₀	bullvalene	bullv
1652	C₁₀H₁₆	adamantane	adamantane
1653	C₆N₄	Tetracyanoethylene	tcne
1654	C₆N₄^-	tetracyanoethylene anion	tcne-
1655	C₁₀H₂₂	Decane	decane
1656	C₄F₆	perfluorobutadiene	c4f6
1657	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1658	C₃F₈	perfluoropropane	c3f8
1659	Fe(CO)₅	Iron pentacarbonyl	ipc
1660	Fe(C₅H₅)₂	ferrocene	fecp2
1661	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1662	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1663	C₁₂H₈	Acenaphthylene	acenaph
1664	C₁₂H₈	biphenylene	biph
1665	C₁₂H₁₀	biphenyl	biphenyl
1666	C₁₂H₁₀	Heptalene	heptalene
1667	C₆H₁₂O₆	Inositol	inositol
1668	C₆F₆	hexafluorobenzene	c6f6
1669	S₂F₁₀	disulphur decafluoride	s2f10
1670	C₁₃H₁₀	Fluorene	fluorene
1671	C₁₄H₁₀	Anthracene	anth
1672	C₁₄H₁₀	Phenanthrene	phenanthrene
1673	C₁₄H₁₄	Bibenzyl	bibenzyl
1674	C₁₂H₁₀N₂	azobenzene	azobenzene
1675	C₆H₅COC₆H₅	benzophenone	benzophenone
1676	C₁₆H₁₀	Pyrene	pyrene
1677	C₁₈H₁₂	Tetracene	tetracene
1678	C₁₉H₁₆	Triphenylmethane	tpm
1679	C₂₄H₁₂	Coronene	coronene
1680	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