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

List of which calculations are completed at ROMP2 /3-21G*

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	Sn	Tin atom
71	CH	Methylidyne	²Π_1/2	C_∞v
72	SiH	Silylidyne	²Π	C_∞v
73	SiH^-	silicon monohydride anion	³Σ	C_∞v
74	GeH	germylidene	²Π	C_∞v
75	CH₂	Methylene	³B₁	C_2v
76	CH₂	Methylene	³Σ_G	D_∞h
77	CH₂^-	methylene anion	²B₁	C_2v
78	CH₂⁺	methylene cation	²A₁	C_2v
79	CH₂⁺	methylene cation	²Π	D_∞h
80	SiH₂	silicon dihydride	³B₁	C_2v
81	SiH₂^-	silicon dihydride anion	²B₁	C_2v
82	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
83	GeH₂	germylene	¹A₁	C_2v
84	GeH₂^-	germylene anion	²B₁	C_2v
85	CH₃	Methyl radical	²A₁	D_3h
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	Sb	Antimony atom
103	PH	phosphorus monohydride	³Σ^-	C_∞v
104	AsH	Arsenic monohydride	³Σ	C_∞v
105	SbH	Antimony monohydride
106	NH₂	Amino radical	²B₁	C_2v
107	NH₂⁺	Amino cation	³B₁	C_2v
108	PH₂^-	Phosphino anion	¹A₁	C_2v
109	PH₂⁺	Phosphino cation	¹A₁	C_2v
110	AsH₂	Arsenic dihydride	²A₁	C_2v
111	NH₃^-	Ammonia anion	²A₁	C_3v
112	NH₃⁺	ammonia cation	²A₂^"	D_3h
113	PH₃⁺	Phosphine cation	²A₁	C_3v
114	AsH₃⁺	Arsine cation	²A₁	C_3v
115	NH₄	Ammonium radical
116	PH₄	Phosphoranyl radical
117	O	Oxygen atom	³S	K_h
118	O^-	Oxygen atom anion	²P	K_h
119	O⁺	Oxygen atom cation	⁴S	K_h
120	S	Sulfur atom	³P	K_h
121	S^-	Sulfur atom anion	²P	K_h
122	S⁺	Sulfur atom cation	⁴S	K_h
123	Se	Selenium atom	³P	K_h
124	Se^-	Selenium atom anion	²P	K_h
125	Se⁺	Selenium atom cation	⁴S	K_h
126	Te	Tellurium atom
127	Te⁺	Tellurium atom cation
128	OH	Hydroxyl radical	²Π	C_∞v
129	OH^-	hydroxide anion	¹Σ	C_∞v
130	OH⁺	hydoxyl cation	³Σ	C_∞v
131	HS	Mercapto radical	²Π	C_∞v
132	HS^-	mercapto anion	¹Σ	C_∞v
133	HS⁺	sulfur monohydride cation	³Σ	C_∞v
134	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
135	HSe	Selenium monohydride	²Π	C_∞v
136	HSe⁺	selenium monohydride cation	³Σ	C_∞v
137	TeH	Telluryl radical
138	H₂O^-	water anion	²A₁	C_2v
139	H₂O^-	water anion	²A^'	C_s
140	H₂O⁺	water cation	²B₁	C_2v
141	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
142	H₂Se	Hydrogen selenide	¹A₁	C_2v
143	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
144	H₃S⁺	Sulfonium cation	¹A₁	C_3v
145	F	Fluorine atom	²P	K_h
146	F^-	Fluorine atom anion	¹S	K_h
147	F⁺	Fluorine atom cation	³S	K_h
148	F⁺	Fluorine atom cation	¹D	K_h
149	Cl	Chlorine atom	²P	K_h
150	Cl^-	Chlorine atom anion	¹S	K_h
151	Cl⁺	Chlorine atom cation	³P	K_h
152	Cl⁺	Chlorine atom cation	¹D	K_h
153	Br	Bromine atom	²P	K_h
154	Br^-	Bromine atom anion	¹S	K_h
155	Br⁺	Bromine atom cation	³P	K_h
156	HF^-	hydrogen fluoride anion	²Σ	C_∞v
157	HF⁺	hydrogen fluoride cation	²Π	C_∞v
158	HCl^-	hydrogen chloride anion	²Σ	C_∞v
159	HCl⁺	hydrogen chloride cation	²Π	C_∞v
160	HBr^-	hydrogen bromide anion	²Σ	C_∞v
161	HBr⁺	hydrogen bromide cation	²Π	C_∞v
162	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
163	Ne	Neon atom
164	Ne^-	Neon atom anion	²S	K_h
165	Ne⁺	Neon atom cation	²P	K_h
166	Ar^-	Argon atom anion	²S	K_h
167	Ar⁺	Argon atom cation	²P	K_h
168	Kr	Krypton atom	¹S	K_h
169	Kr⁺	Krypton cation	²P	K_h
170	NeH	neon hydrogen	²Σ	C_∞v
171	ArH⁺	Argon hydride cation	¹Σ	C_∞v
172	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
173	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
174	NaK⁺	Sodium Potassium diatomic cation		1
175	LiBe	Lithium Beryllium	²Σ	C_∞v
176	LiMg	Lithium magnesium	²Σ	C_∞v
177	NaBe	Sodium Beryllium	²Σ	C_∞v
178	NaMg	Sodium Magnesium	²Σ	C_∞v
179	Be₂	Beryllium diatomic	³Π_g	D_∞h
180	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
181	LiB	Lithium boride	³Π	C_∞v
182	NaAl	Sodium aluminum	¹Σ	C_∞v
183	BeB	Beryllium monoboride	²Π	C_∞v
184	B₂	Boron diatomic	³Σ_g	D_∞h
185	BAl	Boron Aluminum	³Σ	C_∞v
186	BGa	Boron Gallium	³Σ	C_∞v
187	AlGa	Aluminum Gallium	³Σ	C_∞v
188	Ga₂	Gallium diatomic	³P_iu
189	HBBH	Diborane(2)	³Σ_G	D_∞h
190	B₂H₆⁺	Diborane cation
191	LiC	Lithium Carbide	⁴Σ	C_∞v
192	BeC	Beryllium Carbide	³Σ^-	C_∞v
193	BeC	Beryllium Carbide
194	CaC	Calcium monocarbide
195	BC	boron monocarbide	⁴Σ^-	C_∞v
196	BC^-	boron monocarbide anion	³Π_u	C_∞v
197	AlC	Aluminum carbide	⁴Σ	C_∞v
198	BSi	Boron silicide	⁴Σ	C_∞v
199	BSi	Boron silicide	²Σ	C_∞v
200	C₂	Carbon diatomic	³Π_u	D_∞h
201	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
202	SiC	silicon monocarbide	³Σ	C_∞v
203	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
204	SiC⁺	silicon monocarbide cation	²Π	C_∞v
205	GeC	Germanium monocarbide	¹Σ	C_∞v
206	SiGe	Silicon Germanium
207	Ge₂	Germanium diatomic	³Σ_g	D_∞h
208	C₂H	Ethynyl radical	²Σ	C_∞v
209	ZnCH₂	Zinc methylene	³B₁	C_2v
210	ZnCH₂	Zinc methylene	¹A^'	C_s
211	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
212	CCH₂	vinylidene	³B₂	C_2v
213	H₂CC^-	vinylidene anion
214	HCCH^-	acetylene anion
215	HCCH^-	acetylene anion
216	ZnCH₃	Zinc monomethyl	²A₁	C_3v
217	C₂H₃	vinyl	²A^'	C_s
218	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
219	C₂H₄^-	Ethylene anion	²B_2g	D_2h
220	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
221	C₂H₄⁺	Ethylene cation	²B₃	D₂
222	CH₃CH	methylmethylene	³A^"	C_s
223	C₂H₅	Ethyl radical	²A^'	C_s
224	LiN	Lithium Nitride	³Σ	C_∞v
225	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
226	LiP	Lithium monophosphide
227	BeN	Beryllium mononitride	⁴Σ	C_∞v
228	BeN	Beryllium mononitride	²Π	C_∞v
229	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
230	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
231	MgN	Magnesium Nitride
232	MgN	Magnesium Nitride
233	BP	Boron monophosphide	³Π	C_∞v
234	AlP	Aluminum monophosphide	³Σ	C_∞v
235	AlP	Aluminum monophosphide	³Π	C_∞v
236	GaN	Gallium mononitride	³Π	C_∞v
237	GaP	Gallium monophosphide	³Σ	C_∞v
238	GaAs	Gallium arsenide	³Π
239	GaAs	Gallium arsenide	¹Σ
240	BN	boron nitride	³Π	C_∞v
241	CN	Cyano radical	²Σ	C_∞v
242	SiP	Silicon monophosphide	²Π	C_∞v
243	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
244	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
245	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
246	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
247	HNB	hydrogen nitrogen boron	²Σ	C_∞v
248	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
249	HNC⁺	hydrogen isocyanide cation
250	HCP⁺	Phosphaethyne cation
251	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
252	CNH₂	Aminomethylidyne radical	²B₂	C_2v
253	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
254	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
255	HCNH	methyleneazane	²A^'	CS cis
256	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
257	CH₂NH⁺	Methanimine cation
258	CHNH₂⁺	Aminocarbene cation
259	N₂H₄⁺	hydrazine cation	²A_G	C_2h
260	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
261	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
262	LiO	lithium oxide	²Σ	C_∞v
263	LiO^-	lithium oxide anion	¹Σ	C_∞v
264	LiO^-	lithium oxide anion	³Σ	C_∞v
265	LiO⁺	lithium oxide cation	³Σ	C_∞v
266	LiS	Lithium monosulfide	²Π	C_∞v
267	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
268	NaO	sodium monoxide	²Σ	C_∞v
269	KO⁺	Potassium monoxide cation	³Σ	C_∞v
270	NaS	Sodium sulfide	²Π	C_∞v
271	LiSe	Lithium monoselenide
272	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
273	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
274	BO	boron monoxide	²Σ	C_∞v
275	BO^-	boron monoxide anion	¹Σ	C_∞v
276	ScO	Scandium monoxide	²Σ	C_∞v
277	GaO	Gallium monoxide	²Σ	C_∞v
278	GaS	Gallium monosulfide
279	CO	Carbon monoxide	³Π	C_∞v
280	CO^-	carbon monoxide anion	²Π	C_∞v
281	CO⁺	carbon monoxide cation	²Σ	C_∞v
282	TiO	Titanium monoxide	³Δ	C_∞v
283	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
284	SiSe⁺	Silicon Monoselenide cation
285	NO	Nitric oxide	²Π	C_∞v
286	NO^-	nitric oxide anion	³Σ	C_∞v
287	NS	Mononitrogen monosulfide	²Π	C_∞v
288	NS^-	nitrogen sulfide anion	³Σ	C_∞v
289	PO	Phosphorus monoxide	²Π	C_∞v
290	PS	phosphorus sulfide	²Σ	C_∞v
291	VO	Vanadium monoxide	⁴Σ^-
292	AsO	Arsenic monoxide	²Π	C_∞v
293	NSe	Nitrogen monoselenide	²Π	C_∞v
294	AsS	Arsenic monosulfide	²Π	C_∞v
295	PSe	Phosphorus monoselenide	²Π	C_∞v
296	AsSe	Arsenic monoselenide	²Π	C_∞v
297	O₂	Oxygen diatomic	³Σ_g	D_∞h
298	O₂^-	oxygen diatomic anion	²Π	D_∞h
299	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
300	SO	Sulfur monoxide	³Σ	C_∞v
301	SO	Sulfur monoxide	¹Σ	C_∞v
302	SO⁺	sulfur monoxide cation	²Π	C_∞v
303	S₂	Sulfur diatomic	³Σ_g	D_∞h
304	SeO	Selenium monoxide	³Σ	C_∞v
305	TeO	Tellurium monoxide
306	Se₂	Selenium diatomic	³Σ_g	D_∞h
307	Te₂	Tellurium diatomic
308	BeOH	beryllium monohydroxide	²A^'	C_s
309	COH	Hydroxymethylidyne
310	HCO	Formyl radical	²A^'	C_s
311	HCO^-	formyl anion	¹A^'	C_s
312	HCO⁺	Formyl cation	¹Σ	C_∞v
313	HCS⁺	Thioformyl cation	¹Σ	C_∞v
314	HNO	Nitrosyl hydride	¹A^'	C_s
315	HNO^-	Nitrosyl hydride anion	²A^"	C_s
316	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
317	NOH	Hydroxyimidogen	³A^"	C_s
318	NOH⁺	O-protonated nitric oxide	²A^'	C_s
319	HNS^-	Sulfur imide anion	²A	C_s
320	HO₂	Hydroperoxy radical	²A^"	C_s
321	HO₂^-	Hydroperoxy anion	¹A^'	C_s
322	HO₂⁺	Hydroperoxy cation	³A^"	C_s
323	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
324	SOH	Sulfur Hydroxide
325	SOH⁺	Sulfur Monoxide, protonated
326	HS₂	Thiosulfeno radical	²A^"	C_s
327	H₂CO^-	formaldehyde anion	²A^'	C_s
328	H₂CO^-	formaldehyde anion
329	H₂CO⁺	formaldehyde cation	²B₂	C_2v
330	H₂CS^-	thioformaldehyde anion
331	H₂CS^-	thioformaldehyde anion
332	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
333	H₂NO	nitroxide	²B₁	C_2v
334	H₂NO	nitroxide	²A^'	C_s
335	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
336	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
337	CH₂OH	Hydroxymethyl radical	²A	C₁
338	CH₃O⁺	Methoxy cation	³A₁	C_3v
339	NH₂OH⁺	Hydroxylamine cation
340	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
341	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
342	CH₃SH⁺	Methanethiol cation	²A^"	C_s
343	NH₂OH₂⁺	protonated hydroxylamine
344	NH₃OH⁺	N-protonated hydroxylamine
345	NaF⁺	sodium fluoride cation	²Σ	C_∞v
346	LiF^-	lithium fluoride anion	²Σ	C_∞v
347	LiF⁺	lithium fluoride cation	²Π	C_∞v
348	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
349	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
350	TiCl	Titanium Monochloride	⁴Σ	C_∞v
351	ZnF	Zinc monofluoride	²Σ	C_∞v
352	ZnCl	Zinc monochloride	²Σ	C_∞v
353	CaBr	Calcium monobromide
354	GaF	Gallium monofluoride	¹Σ	C_∞v
355	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
356	GaCl	Gallium monochloride	¹Σ_G	C_∞v
357	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
358	CF	Fluoromethylidyne	²Π	C_∞v
359	SiF	silicon monofluoride	²Π	C_∞v
360	SiF^-	silicon monofluoride anion	³Σ	C_∞v
361	SiCl	Clorosilylidyne	²Π	C_∞v
362	CBr	Carbon monobromide	²Π	C_∞v
363	GeF	Germanium monofluoride	²Π	C_∞v
364	GeCl	Germanium monochloride	²Π	C_∞v
365	SiBr	Silicon monobromide	²Π	C_∞v
366	SiBr⁺	Silicon monobromide cation
367	NCl	nitrogen monochloride	³Σ	C_∞v
368	NCl^-	nitrogen monochloride anion	²Π	C_∞v
369	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
370	AsF	Arsenic monofluoride	³Σ	C_∞v
371	NBr	nitrogen monobromide	³Σ^-	C_∞v
372	AsCl	Arsenic monochloride	³Σ	C_∞v
373	PBr	Phosphorus monobromide
374	FO	Oxygen monofluoride	²Π	C_∞v
375	ClO	Monochlorine monoxide	²Π	C_∞v
376	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
377	SF	Monosulfur monofluoride	²Π	C_∞v
378	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
379	SCl	sulfur monochloride	²Π	C_∞v
380	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
381	BrO	Bromine monoxide	²Π	C_∞v
382	BrO⁺	Bromine monoxide cation
383	SeF	Selenium monofluoride	²Π	C_∞v
384	SBr	Sulfur monobromide radical
385	SBr⁺	Sulfur monobromide cation
386	SeCl	Selenium monochloride	²Π	C_∞v
387	SeBr	Selenium monobromide
388	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
389	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
390	ClF⁺	clorine monofluoride cation	²Π	C_∞v
391	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
392	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
393	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
394	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
395	I₂⁺	Iodine diatomic cation	²Π_g	D_∞v
396	HCF	Fluoromethylene	³A^"	C_s
397	HCCl	Chloromethylene	³A^"	C_s
398	CHBr	bromomethylene	³A^"	C_s
399	HOCl⁺	hypochlorous acid cation
400	HOBr⁺	Hypobromous acid cation	²A^"	C_s
401	CH₂Br	bromomethyl radical	²A^'	C_s
402	CH₂Br	bromomethyl radical
403	CH₂F	fluoromethyl radical	²A	C_s
404	CH₂Cl	chloromethyl radical	²A^'	C_s
405	CH₂Cl	chloromethyl radical	²B₁	C_2v
406	CH₃F⁺	methyl fluoride cation
407	CH₃Cl⁺	Methyl chloride cation
408	CH₃Br	methyl bromide	¹A₁	C_3v
409	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
410	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
411	Li₃	Lithium trimer	²B₂	C_2v
412	C₃	carbon trimer	¹A₁	C_2v
413	C₃H₃	cyclopropenyl radical	²A^'	C_s
414	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
415	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
416	CH₃CHCH	1-propenyl radical	²A^'	C_s
417	C₃H₇	n-Propyl radical	²A^"	C₁
418	CH₃CHCH₃	Isopropyl radical	²A	C₂
419	LiCN	lithium cyanide	¹Σ	C*V LiCN
420	KCN	Potassium cyanide	¹Σ	C_∞v
421	ZnCN	Zinc monocyanide	²Σ	C_∞v
422	ZnNC	Zinc isocyanide	²Σ	C_∞v
423	CNN	Diazocarbene
424	NCN	Cyanoimidogen	³Σ_g	D_∞h
425	N₃	azide radical	²Π_g	D_∞h
426	N₃⁺	azide cation	³Σ_g	D_∞h
427	N₃⁺	azide cation	³Σ	C_∞v
428	HCCN	cyanomethylene	³A^"	C_s
429	HCCN	cyanomethylene
430	HN₃	hydrogen azide	¹A^'	C_s
431	HN₃⁺	Hydrazoic acid cation
432	CH₃CN^-	acetonitrile anion	²E	C_3v
433	CH₃CN^-	acetonitrile anion	²A^'	C_s
434	HCNCH₂⁺	2H-Azirine cation
435	CH₂CHNH	vinylazine	²A^"	CS cis
436	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
437	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
438	LiO₂	Lithium dioxide
439	NaO₂	Sodium superoxide
440	CCO	Dicarbon monoxide	³Σ	C_∞v
441	NCO	isocyanato radical	²Π	C_∞v
442	SCN	thiocyanato radical	²Π	C_∞v
443	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
444	N₂O^-	Nitrous oxide anion	²A^'	C_s
445	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
446	CO₂^-	Carbon dioxide anion	²A₁	C_2v
447	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
448	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
449	CS₂^-	Carbon disulfide anion	²A₁	C_2v
450	NO₂	Nitrogen dioxide	²A₁	C_2v
451	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
452	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
453	NSO	sulfinyl amidogen
454	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
455	SNO	Nitrogen oxide sulfide
456	AsO₂	Aresenic dioxide	²A₁	C_2v
457	O₃^-	Ozone anion	²B₁	C_2v
458	SO₂	Sulfur dioxide	¹A₁	C_2v
459	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
460	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
461	S₃^-	Sulfur trimer anion	²B₁	C_2v
462	S₃⁺	Sulfur trimer cation	²B₂	C_2v
463	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
464	HCCO	ketenyl radical	²Π	C_∞v
465	HCCO	ketenyl radical	²A^"	C_s
466	HCOO	formate neutral radical	²A^'	C_s
467	HOCO	Hydrocarboxyl radical	¹A^'	cis
468	HOCO	Hydrocarboxyl radical	¹A^'	trans
469	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
470	CH₂CO⁺	Ketene cation	²B₁	C_2v
471	Be(OH)₂	Beryllium hydroxide
472	CH₂CHO	Vinyloxy radical	²A^"	C_s
473	CH₂OOH	CH2OOH radical	²A	C₁
474	C₂H₄O⁺	ethylene oxide cation
475	CH₃CHO⁺	acetaldehyde cation
476	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
477	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
478	CH₃CH₂O	Ethoxy radical	²A^'	C_s
479	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
480	CH₃OCH₂	methoxymethyl radical	²A	C₁
481	CH₃SCH₃⁺	dimethyl sulfide cation
482	CuF₂	Copper difluoride	²Π_g	D_∞h
483	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
484	ICN	Cyanogen iodide	¹Σ	C_∞v
485	FCO	Carbonyl fluoride	²A^'	C_s
486	ClCO	carbonyl monochloride	²A^'	C_s
487	BF₂	Boron difluoride radical	²A₁	C_2v
488	CF₂	Difluoromethylene	³B₁	C_2v
489	CF₂^-	Difluoromethylene anion	²B₁	C_2v
490	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
491	SiF₂	Silicon difluoride	³B₁	C_2v
492	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
493	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
494	CBr₂	dibromomethylene	³B₁	C_2v
495	FOO⁺	Fluorine dioxide cation
496	OClO	Chlorine dioxide	²B₁	D_∞h
497	OClO^-	Chlorine dioxide anion	¹A^'	C_s
498	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
499	ClSO	Sulfur chloride oxide	²A^"	C_s
500	BrOO	Bromine dioxide
501	OBrO	Bromine dioxide radical	²B₁	C_2v
502	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
503	PF₂	Phosphorus difluoride
504	SF₂^-	sulfur difluoride anion	²A^'	C_s
505	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
506	I₃^-	triiodide
507	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
508	HFCO⁺	formyl fluoride cation	²A^'	C_s
509	CHCl₂	dichloromethyl radical	²B₁	C_2v
510	CHCl₂	dichloromethyl radical	²A^'	C_s
511	CHF₂	difluoromethyl radical	²A	C_s
512	CHFCl	Chlorofluoromethyl radical
513	CHBr₂	dibromomethyl radical
514	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
515	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
516	CHClCH₃	1-chloroethyl radical	²A	C₁
517	C₄	Carbon tetramer	³Σ_g	D_∞h
518	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
519	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
520	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
521	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
522	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
523	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
524	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
525	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
526	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
527	HCO₃^-	bicarbonate anion
528	HSO₃	Hydroxysulfonyl radical	²A	C₁
529	C₂H₂O₂	Ethanedial	¹A_g	C_2h
530	CH₃COCH₂	Acetonyl radical	²A^"	C_s
531	C₂H₅OO	ethylperoxy radical	²A^'	C_s
532	CH₃COCH₃^-	acetone anion	²A^'	C_s
533	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
534	ClONO	chlorine nitrite	¹A^'	CS cis
535	CF₂O⁺	Carbonic difluoride cation
536	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
537	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
538	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
539	BF₃⁺	boron trifluoride cation
540	BCl₃⁺	Boron Trichloride cation
541	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
542	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
543	CF₂Cl	difluorochloromethyl radical
544	SiF₃	Silicon trifluoride radical	²A₁	C_3v
545	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
546	CFCl₂	dichlorofluoromethyl radical
547	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
548	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
549	CBr₃	tribromomethyl radical
550	NF₃	Nitrogen trifluoride	¹A₁	C_3v
551	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
552	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
553	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
554	SF₃	Sulfur trifluoride	²A^'	C_s
555	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
556	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
557	C₄H₄N	pyrrolide radical	²A₂	C_2v
558	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
559	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
560	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
561	XeF₄	Xenon tetrafluoride
562	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
563	SF₅	Sulfur pentafluoride	²A₁	C_4v
564	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
565	C₆H₅O	phenoxy radical	²B₁	C_2v
566	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
567	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 cation	sn+
59	CH^-	methylidyne anion	ch-
60	CH⁺	Methylidyne cation	ch+
61	SiH⁺	silicon monohydride cation	sih+
62	GeH⁺	Germaniun monohyrdide cation	geh+
63	SiH₂	silicon dihydride	sih2
64	CH₃^-	methyl anion	ch3-
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	NH	Imidogen	nh
81	NH^-	Imidogen anion	nh-
82	NH⁺	imidogen cation	nh+
83	PH^-	phosphorus monohydride anion	ph-
84	PH⁺	phosphorus monohydride cation	ph+
85	AsH⁺	Arsenic monohydride cation	ash+
86	ND₂	Amidogen-d2	nd2
87	NH₂^-	amino anion	nh2-
88	PH₂	Phosphino radical	ph2
89	AsH₂⁺	Arsenic dihydride cation	ash2+
90	ND₃	Ammonia-d3	nd3
91	NH₃	Ammonia	nh3
92	PH₃	Phosphine	ph3
93	AsH₃	Arsine	ash3
94	SbH₃	Stibine	sbh3
95	AsH₄⁺	Arsonium	ash4+
96	NH₄⁺	ammonium cation	nh4+
97	PH₄⁺	phosphonium cation	ph4+
98	Cr	Chromium atom	cr
99	DO	Hydroxyl-d	od
100	DS	Mercapto-d	ds
101	CrH	Chromium hydride	crh
102	HSe^-	selenium monohydride anion	hse-
103	D₂O	Deuterium oxide	d2o
104	H₂O	Water	h2o
105	HDO	Water-d1	hdo
106	D₂S	Hydrogen sulfide-d2	d2s
107	H₂S	Hydrogen sulfide	h2s
108	H₂S^-	Hydrogen sulfide anion	h2s-
109	H₂Te	Hydrogen Telluride	h2te
110	H₃O⁺	hydronium cation	h3o+
111	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
112	Mn	Manganese atom	mn
113	I	Iodine atom	iodine
114	I^-	Iodine atom anion	iodine-
115	I⁺	Iodine atom cation	iodine+
116	DF	Hydrofluoric acid-d	df
117	HF	Hydrogen fluoride	hf
118	DCl	Hydrochloric acid-d	dcl
119	HCl	Hydrogen chloride	hcl
120	HBr	hydrogen bromide	hbr
121	HI	Hydrogen iodide	hi
122	HI⁺	Hydrogen iodide cation	hi+
123	H₂F⁺	dihydrogen fluoride cation	h2f+
124	H₂Br⁺	protonated hydrogen bromide	h2br+
125	H₂I⁺	Iodonium	h2i+
126	Ne	Neon atom	ne
127	Ar	Argon atom	ar
128	Fe	Iron atom	fe
129	Xe	Xenon atom	xe
130	HeLi⁺	Helium Lithium cation	heli+
131	NeH⁺	neon hydrogen cation	neh+
132	KrH⁺	Protonated Krypton	krh+
133	XeH⁺	Xenon, protonated	xeh+
134	H₂Ar	H2 Ar dimer	h2ar
135	Co	Cobalt atom	cobalt
136	Ni	Nickel atom	ni
137	Li₂	Lithium diatomic	li2
138	Li₂^-	lithium diatomic anion	li2-
139	Li₂⁺	lithium diatomic cation	li2+
140	NaLi	lithium sodium	lina
141	NaLi^-	lithium sodium anion	lina-
142	NaLi⁺	lithium sodium cation	lina+
143	LiK	Lithium Potassium	lik
144	Na₂	Sodium diatomic	na2
145	NaK	Sodium Potassium	nak
146	K₂	Potassium diatomic	k2
147	Cu₂	Copper diatomic	cu2
148	Be₂	Beryllium diatomic	be2
149	Be₂⁺	Beryllium diatomic cation	be2+
150	BeMg	Beryllium Magnesium	bemg
151	Mg₂	Magnesium diatomic	mg2
152	Mg₂^-	magnesium diatomic anion	mg2-
153	Mg₂⁺	magnesium diatomic cation	mg2+
154	Ca₂	Calcium diatomic	ca2
155	LiAl	Lithium Aluminum	lial
156	B₂^-	Boron diatomic anion	b2-
157	B₂⁺	Boron diatomic cation	b2+
158	Al₂	Aluminum diatomic	al2
159	Al₂^-	aluminum diatomic anion	al2-
160	Al₂⁺	aluminum diatomic cation	al2+
161	LiBH₄	Lithium borohydride	libh4
162	B₂H₄	Diborane(4) D2d	b2h4
163	HBHHBH	Diborane(4) C2V	hbhhbh
164	B₂H₆	Diborane	b2h6
165	Al₂H₆	dialane	al2h6
166	Ga₂H₆	digallane	ga2h6
167	BC⁺	boron monocarbide cation	bc+
168	C₂	Carbon diatomic	c2
169	C₂^-	carbon diatomic anion	c2-
170	Si₂	Silicon diatomic	si2
171	Si₂^-	silcon diatomic anion	si2-
172	Si₂⁺	silcon diatomic cation	si2+
173	C₂H^-	Ethynyl anion	c2h-
174	C₂H⁺	Ethynyl cation	c2h+
175	C₂H₂	Acetylene	c2h2
176	CCH₂	vinylidene	vinylidene
177	Si₂H₂	disilyne	si2h2
178	CH₃Li	methyl lithium	ch3li
179	CuCH₃	monomethyl copper	cuch3
180	CH₂BH	methyleneborane	ch2bh
181	C₂H₃^-	vinyl anion	c2h3-
182	C₂H₄	Ethylene	c2h4
183	CH₂SiH₂	silaethylene	ch2sih2
184	Si₂H₄	Disilene	si2h4
185	CH₃BH₂	methylborane	ch3bh2
186	C₂H₅^-	Ethyl anion	c2h5-
187	C₂H₅⁺	Ethyl cation	c2h5+
188	C₂H₆	Ethane	c2h6
189	C₂H₆⁺	ethane cation	c2h6+
190	CH₃SiH₃	methyl silane	ch3sih3
191	Si₂H₆	disilane	si2h6
192	GeH₃CH₃	methyl germane	geh3ch3
193	C₂H₇⁺	Ethane, protonated	c2h7+
194	BeN⁺	Beryllium mononitride cation	ben+
195	BN^-	boron nitride anion	bn-
196	AlN^-	aluminum mononitride anion	aln-
197	AlN⁺	aluminum mononitride cation	aln+
198	BN⁺	boron nitride cation	bn+
199	AlN	Aluminum nitride	aln
200	CN^-	cyanide anion	cn-
201	CN⁺	Cyano cation	cn+
202	CP	Carbon monophosphide	cp
203	CP^-	carbon monophosphide anion	cp-
204	CP⁺	carbon monophosphide cation	cp+
205	SiN	Silicon nitride	sin
206	SiN^-	silicon mononitride anion	sin-
207	SiN⁺	silicon mononitride cation	sin+
208	TiN	Titanium mononitride	tin
209	N₂	Nitrogen diatomic	n2
210	PN	Phosphorus mononitride	pn
211	PN^-	phosphorus nitride anion	pn-
212	PN⁺	phosphorus nitride cation	pn+
213	P₂	Phosphorus diatomic	p2
214	P₂^-	phosphorus diatomic anion	p2-
215	P₂⁺	phosphorus diatomic cation	p2+
216	AsN	Arsenic mononitride	asn
217	AsP	Arsenic monophosphide	asp
218	SbN	Antimony nitride	sbn
219	As₂	Arsenic diatomic	as2
220	HNC	hydrogen isocyanide	hnc
221	HCN	Hydrogen cyanide	hcn
222	HCN^-	Hydrogen cyanide anion	hcn-
223	HCP	Phosphaethyne	hcp
224	NNH	Dinitrogen monohydride	nnh
225	NNH⁺	Dinitrogen monohydride cation	nnh+
226	HPO	Hydrogen phosphorus oxide	hpo
227	LiNH₂	lithium amide	linh2
228	HBNH	Boranimine	hbnh
229	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
230	HCNH⁺	N-protonated HCN	hcnh+
231	H₂NN	Isodiazene	h2nn
232	N₂H₂	(E)-diazene	n2h2
233	N₂H₂	(Z)-Diazene	n2h2z
234	CH₂NH	Methanimine	ch3n
235	CHNH₂	aminomethylene	chnh2
236	CH₂PH	Phosphaethene	ch3p
237	BH₂NH₂	Boranamine	bh2nh2
238	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
239	N₂H₄	Hydrazine	n2h4
240	P₂H₄	Diphosphine	p2h4
241	CH₃NH₂	methyl amine	ch3nh2
242	CH₃PH₂	Methyl phosphine	ch3ph2
243	SiH₃NH₂	Silane, amino	sih3nh2
244	N₂H₅⁺	protonated hydrazine	n2h5+
245	BH₃PH₃	borane phosphine	bh3ph3
246	BH₃NH₃	borane ammonia	bh3nh3
247	CH₃NH₃⁺	protonated methylamine	ch3nh3+
248	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
249	NH₃NH₃	Ammonia Dimer	nh3nh3
250	N₂H₇⁺	ammonia ammonium dimer	n2h7+
251	NaO^-	sodium oxide anion	nao-
252	NaO⁺	sodium oxide cation	nao+
253	KO	Potassium monoxide	ko
254	CuO	Copper Monoxide	cuo
255	BeO	beryllium oxide	beo
256	BeS	beryllium sulfide	bes
257	MgO	magnesium oxide	mgo
258	MgO^-	magnesium oxide anion	mgo-
259	MgO⁺	magnesium oxide cation	mgo+
260	CaO	Calcium monoxide	cao
261	MgS	magnesium sulfide	mgs
262	MgS^-	magnesium sulfide anion	mgs-
263	MgS⁺	magnesium sulfide cation	mgs+
264	CaS	Calcium sulfide	cas
265	ZnO	zinc monoxide	zno
266	ZnS	Zinc sulfide	zns
267	BeS^-	Beryllium monosulfide anion	bes-
268	BeS⁺	Beryllium monosulfide cation	bes+
269	AlO	Aluminum monoxide	alo
270	AlO^-	Aluminum monoxide anion	alo-
271	AlO⁺	aluminum monoxide cation	alo+
272	BS	boron sulfide	bs
273	BS^-	boron monosulfide anion	bs-
274	BS⁺	boron monosulfide cation	bs+
275	AlS	Aluminum sulfide	als
276	AlS^-	aluminum monosulfide anion	als-
277	AlS⁺	aluminum monosulfide cation	als+
278	BO⁺	boron monoxide cation	bo+
279	CO	Carbon monoxide	co
280	CS	carbon monosulfide	cs
281	CS^-	carbon monosulfide anion	cs-
282	CS⁺	carbon monosulfide cation	cs+
283	SiO	Silicon monoxide	sio
284	SiO^-	silicon monoxide anion	sio-
285	SiO⁺	silicon monoxide cation	sio+
286	SiS	silicon monosulfide	sis
287	SiS^-	silicon monosulfide anion	sis-
288	SiS⁺	silicon monosulfide cation	sis+
289	CSe	Carbon monoselenide	cse
290	CSe^-	Carbon monoselenide anion	cse-
291	CSe⁺	Carbon monoselenide cation	cse+
292	GeO	Germanium monoxide	geo
293	GeS	Germanium monosulfide	ges
294	SiSe	Silicon Monoselenide	sise
295	GeSe	Germanium monoselenide	gese
296	NO⁺	nitric oxide cation	no+
297	NS⁺	nitrogen sulfide cation	ns+
298	PO^-	phosphorus monoxide anion	po-
299	PO⁺	phosphorus monoxide cation	po+
300	PS^-	phosphorus monosulfide anion	ps-
301	PS⁺	phosphorus monosulfide cation	ps+
302	O₂^--	dioxygen dianion	o2--
303	SO^-	sulfur monoxide anion	so-
304	S₂^-	sulfur diatomic anion	s2-
305	S₂⁺	sulfur diatomic cation	s2+
306	SeO^-	selenium monoxide anion	seo-
307	SeO⁺	selenium monoxide cation	seo+
308	SeS	Selenium monosulfide	ses
309	SeS^-	selenium monosulfide anion	ses-
310	SeS⁺	selenium monosulfide cation	ses+
311	Se₂^-	selenium diatomic anion	se2-
312	Se₂⁺	selenium diatomic cation	se2+
313	LiOH	lithium hydroxide	lioh
314	NaOH	sodium hydroxide	naoh
315	KOH	Potassium hydroxide	koh
316	MgOH	magnesium hydroxide	mgoh
317	CaOH	Calcium monohydroxide	caoh
318	HBO	Boron hydride oxide	hbo
319	HBS	hydrogen boron sulfide	hbs
320	COH⁺	Carbon Monoxide, protonated	coh+
321	HCS	Thioformyl radical	hcs
322	HCS^-	Thioformyl anion	hcs-
323	HNS	Sulfur imide	hns
324	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
325	H₂CO	Formaldehyde	h2co
326	HOCH	hydroxycarbene	hoch
327	H₂CS	Thioformaldehyde	h2cs
328	H₂CSe	Selenoformaldehyde	h2cse
329	H₂O₂	Hydrogen peroxide	h2o2
330	H₂OO	water oxide	h2oo
331	HOSH	hydrogen thioperoxide	hosh
332	H₂S₂	Disulfane	h2s2
333	H₂Se₂	hydrogen diselenide	h2se2
334	CH₂OH⁺	hydroxymethyl cation	ch2oh+
335	CH₃O	Methoxy radical	ch3o
336	CH₃O^-	methoxy anion	ch3o-
337	CH₃S	thiomethoxy	ch3s
338	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
339	NH₂OH	hydroxylamine	nh2oh
340	NH₃O	Ammonia Oxide	nh3o
341	H₂POH	Phosphinous acid	h2poh
342	H₃PO	Phosphine oxide	h3po
343	NH₂SH	Thiohydroxylamine	nh2sh
344	NH₃S	sulfidoazane	nh3s
345	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
346	CH₃OH	Methyl alcohol	ch3oh
347	CH₃SH	Methanethiol	ch3sh
348	SiH₃OH	silanol	sih3oh
349	CH₃SeH	Methane selenol	ch3seh
350	H₂OH₂O	water dimer	h2oh2o
351	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
352	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
353	H₂ONH₃	Water Ammonia Dimer	h2onh3
354	H₅O₂⁺	Dihydroxonium ion	h5o2+
355	LiF	lithium fluoride	lif
356	LiCl	lithium chloride	licl
357	LiCl^-	lithium chloride anion	licl-
358	LiCl⁺	lithium chloride cation	licl+
359	NaF	sodium fluoride	naf
360	NaF^-	sodium fluoride anion	naf-
361	KF	Potassium Fluoride	kf
362	NaCl	Sodium Chloride	nacl
363	NaCl^-	sodium chloride anion	nacl-
364	NaCl⁺	sodium chloride cation	nacl+
365	KCl	Potassium Chloride	kcl
366	CuF	Copper monofluoride	cuf
367	LiBr	Lithium Bromide	libr
368	LiBr^-	lithium bromide anion	libr-
369	LiBr⁺	lithium bromide cation	libr+
370	CuCl	Copper monochloride	cucl
371	NaBr	Sodium Bromide	nabr
372	NaBr^-	sodium bromide anion	nabr-
373	NaBr⁺	sodium bromide cation	nabr+
374	KBr	Potassium Bromide	kbr
375	LiI	Lithium Iodide	lii
376	NaI	Sodium Iodide	nai
377	KI	Potassium Iodide	ki
378	BeF	Beryllium monofluoride	bef
379	BeCl	beryllium monochloride	becl
380	MgF	Magnesium monofluoride	mgf
381	MgF^-	magnesium fluoride anion	mgf-
382	MgF⁺	magnesium fluoride cation	mgf+
383	CaF	Calcium monofluoride	caf
384	MgCl	magnesium monochloride	mgcl
385	MgCl^-	magnesium monochloride anion	mgcl-
386	MgCl⁺	magnesium monochloride cation	mgcl+
387	CaCl	calcium monochloride	cacl
388	ZnF^-	Zinc monofluoride anion	znf-
389	ZnF⁺	Zinc monofluoride cation	znf+
390	BeCl^-	beryllium monochloride anion	becl-
391	BeCl⁺	beryllium monochloride cation	becl+
392	BF	Boron monofluoride	bf
393	BF^-	Boron monofluoride anion	bf-
394	BF⁺	Boron monofluoride cation	bf+
395	AlF	Aluminum monofluoride	alf
396	AlF^-	Aluminum monofluoride anion	alf-
397	AlF⁺	Aluminum monofluoride cation	alf+
398	BCl	boron monochloride	bcl
399	BCl^-	boron monochloride anion	bcl-
400	BCl⁺	boron monochloride cation	bcl+
401	AlCl	Aluminum monochloride	alcl
402	AlCl^-	aluminum monochloride anion	alcl-
403	AlCl⁺	aluminum monochloride cation	alcl+
404	ScF	Scandium monofluoride	scf
405	BBr	Boron monobromide	bbr
406	AlBr	Aluminum monobromide	albr
407	AlI	Aluminum monoiodide	ali
408	GaBr	Gallium monobromide	gabr
409	CF^-	carbon monofluoride anion	cf-
410	CF⁺	carbon monofluoride cation	cf+
411	CCl	carbon monochloride	ccl
412	CCl^-	carbon monochloride anion	ccl-
413	CCl⁺	carbon monochloride cation	ccl+
414	SiF⁺	silicon monofluoride cation	sif+
415	SiCl^-	silicon monochloride anion	sicl-
416	SiCl⁺	silicon monochloride cation	sicl+
417	GeF⁺	Germanium monofluoride cation	gef+
418	GeCl⁺	Germanium monochloride cation	gecl+
419	NF	nitrogen fluoride	nf
420	NF^-	nitrogen monofluorine anion	nf-
421	NF⁺	nitrogen monofluoirde cation	nf+
422	PF	phosphorus monofluoride	pf
423	PF^-	phosphorus monofluoride anion	pf-
424	PF⁺	phosphorus monofluoride cation	pf+
425	PCl	phosphorus chloride	pcl
426	PCl^-	phosphorus monochloride anion	pcl-
427	PCl⁺	phosphorus monochloride cation	pcl+
428	SbF	Antimony monofluoride	sbf
429	SbCl	Antimony monochloride	sbcl
430	FO^-	flourine oxide anion	fo-
431	FO⁺	fluorine monoxide cation	fo+
432	ClO^-	chlorine monoxide anion	clo-
433	SF^-	sulfur monofluoride anion	sf-
434	SCl^-	sulfur monochloride anion	scl-
435	BrO^-	Bromine monoxide anion	bro-
436	IO	Iodine monoxide	io
437	BrCl	Bromine monochloride	brcl
438	F₂	Fluorine diatomic	f2
439	ClF	Chlorine monofluoride	clf
440	ClF^-	clorine monofluoride anion	clf-
441	Cl₂	Chlorine diatomic	cl2
442	BrF	Bromine monofluoride	brf
443	BrF^-	bromine fluoride anion	brf-
444	BrF⁺	bromine fluoride cation	brf+
445	BrCl^-	bromine chloride anion	brcl-
446	BrCl⁺	bromine chloride cation	brcl+
447	IF	Iodine monofluoride	if
448	Br₂	Bromine diatomic	br2
449	ICl	Iodine monochloride	icl
450	IBr	Iodine monobromide	ibr
451	I₂	Iodine diatomic	i2
452	HCF	Fluoromethylene	hcf
453	HCCl	Chloromethylene	hccl
454	HSiF	fluorosilylene	hsif
455	HSiCl	Chlorosilylene	hsicl
456	HSiBr	monobromosilylene	hsibr
457	CHBr	bromomethylene	chbr
458	HOF	Hypofluorous acid	hfo
459	DOCl	Hypochlorous acid-d	docl
460	HOCl	hypochlorous acid	hocl
461	HOBr	Hypobromous acid	hobr
462	HOI	Hypoiodous acid	hoi
463	F₂H⁺	Fluorine, protonated	f2h+
464	FHF	Hydrogen difluoride	fhf
465	FHF^-	Hydrogen difluoride anion	fhf-
466	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
467	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
468	Cl₂H⁺	Chlorine, protonated	cl2h+
469	CH₂F⁺	fluoromethyl cation	ch2f+
470	CH₂Cl⁺	chloromethyl cation	ch2cl+
471	NH₂F	monofluoroamine	nh2f
472	NH₂Cl	chloramine	nh2cl
473	H₂F₂	Hydrogen fluoride dimer	h2f2
474	CD₃F	methylfluoride-d3	cd3f
475	CH₃F	Methyl fluoride	ch3f
476	CD₃Cl	methyl chloride d3	cd3cl
477	CH₃Cl	Methyl chloride	ch3cl
478	SiH₃F	monofluorosilane	sih3f
479	SiH₃Cl	chlorosilane	sih3cl
480	GeH₃F	monofluorogermane	geh3f
481	GeH₃Cl	monochlorogermane	geh3cl
482	SiH₃Br	bromosilane	sih3br
483	CH₃I	methyl iodide	ch3i
484	SiH₃I	Silyl Iodide	sih3i
485	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
486	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
487	NH₄Cl	Ammonium chloride	nh4cl
488	LiNe⁺	Lithium Neon cation	line+
489	Ne₂	Neon diatomic	ne2
490	Ar₂	Argon diatomic	ar2
491	Li₃⁺	Lithium trimer cation	li3+
492	C₃⁺	carbon trimer cation	c3+
493	SiC₂	Silicon dicarbide	sic2
494	C₃H₃	Propargyl radical	propargyl
495	C₃H₃^-	Propargyl anion	c3h3-
496	C₃H₄	cyclopropene	cprop
497	CH₂CCH₂	allene	allene
498	CH₃CCH	propyne	propyne
499	C₃H₅	Allyl radical	allyl
500	C₃H₅⁺	Allyl cation	allyl+
501	Zn(CH₃)₂	dimethyl zinc	dmz
502	C₃H₆	Cyclopropane	c3h6
503	CH₂CHCH₃	Propene	propene
504	C₃H₇⁺	cyclopropane, protonated	c3h7+
505	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
506	C₃H₈	Propane	propane
507	SiH₂(CH₃)₂	dimethylsilane	dms
508	Si₃H₈	trisilane	si3h8
509	NaCN	Sodium Cyanide	nacn
510	CuCN	Copper cyanide	cucn
511	AlCN	Aluminum monocyanide	alcn
512	AlNC	Aluminum isocyanide	alnc
513	CN₂	3H-Diazirin-3-ylidene	cn2
514	N₃^-	azide anion	n3-
515	HCNN	diazomethyl radical	hcnn
516	HNCNH	diiminomethane	hncnh
517	CH₂N₂	diazirine	ch2n2
518	CH₂NN	diazomethane	ch2nn
519	NH₂CN	cyanamide	cyanamide
520	HNNNH⁺	1,2-Triazadienium	n2h3+
521	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
522	CH₃CN	Acetonitrile	ch3cn
523	CH₃CN⁺	Acetonitrile cation	ch3cn+
524	CH₃NC	methyl isocyanide	ch3nc
525	CHNCH₂	2H-Azirine	c157164
526	CHNHCH	1H-Azirine	chnhch
527	H₂CCNH	Ethenimine	ch2cnh
528	H₂CNCH	methyleneaminomethylene	ch2nch
529	HCCNH₂	Ethynamine	hccnh2
530	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
531	NCNH₃⁺	Cyanamide, protonated	ncnh3+
532	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
533	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
534	NHCHNH₂	aminomethanimine	cn2h4
535	C₂H₅N	Aziridine	c2h5n
536	CH₂CHNH₂	aminoethene	aminoethene
537	CH₂NCH₃	N-methylmethanimine	nmm
538	CH₃CHNH	ethanimine	ethanimine
539	NH₂BHNH₂	diaminoborane	nh2bhnh2
540	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
541	C₂H₆N⁺	aziridine, protonated	c2h6n+
542	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
543	CH₃CH₂NH₂	Ethylamine	etam
544	CH₃NHCH₃	Dimethylamine	ch3nhch3
545	CH₃PHCH₃	dimethylphosphine	ch3phch3
546	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
547	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
548	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
549	Li₂O	dilithium oxide	li2o
550	Li₂S	dilithium sulfide	li2s
551	Na₂O	disodium monoxide	na2o
552	Na₂S	Sodium sulfide	na2s
553	CNO^-	fulminate	cno-
554	NCO^-	cyanate	nco-
555	SCN^-	thiocyanide anion	scn-
556	BO₂	Boron dioxide	bo2
557	BO₂^-	Boron dioxide anion	bo2-
558	N₂O	Nitrous oxide	n2o
559	NNS	Nitrogen sulfide	nns
560	PPO	Phosphorus oxide phosphide	ppo
561	CO₂	Carbon dioxide	co2
562	OCS	Carbonyl sulfide	cos
563	SiO₂	silicon dioxide	sio2
564	CS₂	Carbon disulfide	cs2
565	CS₂⁺	Carbon disulfide cation	cs2+
566	TiO₂	Titanium dioxide	tio2
567	SiS₂	Silicon disulfide	sis2
568	GeO₂	Germanium dioxide	geo2
569	OCSe	Carbonyl selenide	ocse
570	SCSe	Carbon sulfide selenide	scse
571	GeS₂	Germanium disulfide	ges2
572	CSe₂	Carbon diselenide	cse2
573	SCTe	Carbon sulfide Telluride	scte
574	PO₂	Phosphorus dioxide	po2
575	PO₂^-	Phosphorus dioxide anion	po2-
576	O₃	Ozone	o3
577	O₃⁺	Ozone cation	o3+
578	SSO	Disulfur monoxide	sso
579	S₃	Sulfur trimer	s3
580	SeO₂	Selenium dioxide	seo2
581	TeO₂	Tellurium Dioxide	teo2
582	CS₂H⁺	Carbon disulfide, protonated	cs2h+
583	HCNO	fulminic acid	hcno
584	HNCO	Isocyanic acid	hnco
585	HOCN	cyanic acid	hocn
586	HNCS	Isothiocyanic acid	hncs
587	HSCN	thiocyanic acid	hscn
588	HCO₂^-	formate anion	hco2-
589	HNNO	nitrosoazane	hnno
590	HNNO⁺	Nitrous oxide, N-protonated	hnno+
591	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
592	HNO₂	Nitrous acid	hno2
593	HNO₂⁺	nitrous acid cation	hno2+
594	O₃H⁺	protonated ozone	o3h+
595	SO₂H⁺	protonated sulfur dioxide	so2h+
596	C₂H₂O	Oxirene	oxirene
597	CH₂CO	Ketene	ch2co
598	HCCOH	ethynol	hccoh
599	CH₂CS	Thioketene	ch2cs
600	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
601	NH₂NO	Nitrosamide	nh2no
602	CH₂O₂	Dioxirane	diox
603	H₂COO	Dioxymethyl radical	h2coo
604	H₂COO⁺	dioxymethyl cation	h2coo+
605	HCOOH	Formic acid	ch2o2
606	H₂O₃	Hydrogen trioxide	h2o3
607	HSSSH	trisulfane	hsssh
608	NaOCH₃	Sodium methoxide	naoch3
609	CH₂BOH	hydroxy(methylene)borane	ch2boh
610	BH₃CO	Borane carbonyl	bh3co
611	CH₃BO	Borane, methyloxo-	ch3bo
612	CH₂COH⁺	ketene, protonated	ch2coh+
613	CH₃CO	Acetyl radical	ch3co
614	CH₃CO^-	Acetyl anion	ch3co-
615	CH₃CO⁺	acetyl cation	ch3co+
616	CH₂NOH	formaldoxime	ch2noh
617	CH₃NO	nitrosomethane	ch3no
618	CHONH₂	formamide	formamide
619	CNOH₃	1,2-oxaziridine	cnoh3
620	HOCHNH	hydroxymethylimine	hochnh
621	CHSNH₂	thioformamide	chsnh2
622	NHCHSH	Methanimidothioic acid	nhchsh
623	CH₃OO	methylperoxy radical	ch3oo
624	CH₃OO^-	methylperoxy anion	ch3oo-
625	CH₃OO⁺	methylperoxy cation	ch3oo+
626	C₂H₄O	Ethylene oxide	c2h4o
627	CH₂CHOH	ethenol	ch2choh
628	CH₃CHO	Acetaldehyde	ch3cho
629	C₂H₄S	Thiirane	thiirane
630	CH₂CHSH	Ethenethiol	ch2chsh
631	CH₃CHS	Thioacetaldehyde	ch3chs
632	H₂CONH₂⁺	protonated formamide	h2conh2+
633	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
634	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
635	CH₂(OH)₂	methanediol	ch2o2h2
636	CH₃OOH	Methyl peroxide	ch3ooh
637	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
638	HSCH₂SH	Methanedithiol	ch4s2
639	H₂OH₂CO	water formaldehyde dimer	h2oh2co
640	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
641	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
642	NH₂CH₂OH	aminomethanol	nh2ch2oh
643	CH₃CH₂OH	Ethanol	etoh
644	CH₃OCH₃	Dimethyl ether	meome
645	CH₃CH₂SH	ethanethiol	etsh
646	CH₃SCH₃	Dimethyl sulfide	mesme
647	CH₃SeCH₃	dimethylselenide	dmse
648	CH₃OHH₂O	methanol water dimer	ch3ohh2o
649	H₂OCH₃OH	water methanol dimer	h2och3oh
650	CNF	iso cyanogen fluoride	cnf
651	FCN	Cyanogen fluoride	fcn
652	ClCN	chlorocyanogen	clcn
653	BrCN	Cyanogen bromide	brcn
654	FBO	Boron monofluoride monoxide	fbo
655	BeF₂	Beryllium fluoride	bef2
656	MgF₂	Magnesium fluoride	mgf2
657	BeCl₂	Beryllium chloride	becl2
658	MgCl₂	Magnesium dichloride	mgcl2
659	CaCl₂	Calcium Chloride	cacl2
660	ZnCl₂	Zinc dichloride	zncl2
661	BeBr₂	Beryllium bromide	bebr2
662	CaBr₂	Calcium dibromide	cabr2
663	CaF₂	Calcium difluoride	caf2
664	FCO⁺	Carbonyl fluoride cation	fco+
665	FNO	Nitrosyl fluoride	fno
666	ClNO	Nitrosyl chloride	clno
667	FNS	Thionitrosyl fluoride	fns
668	FSN	Thiazyl fluoride	fsn
669	OPCl	Phosphorus oxychloride	opcl
670	BrNO	Nitrosyl bromide	brno
671	INO	Nitrosyl iodide	ino
672	CF₂	Difluoromethylene	cf2
673	CFCl	chlorofluoromethylene	cfcl
674	SiF₂	Silicon difluoride	sif2
675	CCl₂	dichloromethylene	ccl2
676	CCl₂^-	dichloromethylene anion	ccl2-
677	SiCl₂	Dichlorosilylene	sicl2
678	GeF₂	Germanium difluoride	gef2
679	GeCl₂	Germanium dichloride	gecl2
680	CBr₂	dibromomethylene	cbr2
681	FOO	Dioxygen monofluoride radical	foo
682	ClOO	chloroperoxy radical	cloo
683	ClOO⁺	chloroperoxy cation	cloo+
684	ClS₂	Sulfur chloride	cls2
685	NF₂	Difluoroamino radical	nf2
686	PF₂⁺	Phosphorus difluoride cation	pf2+
687	FClO	chlorosyl fluoride	fclo
688	F₂O	Difluorine monoxide	f2o
689	ClOF	Chlorine hypofluorite	clof
690	SF₂	sulfur difluoride	sf2
691	Cl₂O	Dichlorine monoxide	cl2o
692	SCl₂	Sulfur dichloride	scl2
693	SeF₂	Selenium difluoride	sef2
694	BrOCl	Bromine hypochlorite	brocl
695	SeCl₂	Selenium Dichloride	secl2
696	SBr₂	Sulfur dibromide	sbr2
697	SeBr₂	Selenium dibromide	sebr2
698	BrOBr	Bromine oxide	brobr
699	F₃^-	trifluoride anion	f3-
700	Cl₃^-	trichloride anion	cl3-
701	Br₃^-	tribromide anion	br3-
702	SFCl	Sulfur chloride fluoride	sfcl
703	HCCF	Fluoroacetylene	hccf
704	HCCCl	Chloroacetylene	hcccl
705	HCCBr	bromoacetylene	hccbr
706	HFCO	formyl fluoride	hfco
707	COHCl	Formyl chloride	cohcl
708	COHBr	Formyl bromide	cohbr
709	BHF₂	Difluoroborane	bhf2
710	BHCl₂	Borane, dichloro-	bhcl2
711	CHF₂⁺	difluoromethyl cation	chf2+
712	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
713	CHCl₂⁺	dichloromethyl cation	chcl2+
714	HOClO	Chlorous acid	hoclo
715	NHF₂	difluoramine	nhf2
716	NHCl₂	dichloroamine	nhcl2
717	CH₂F₂	Methane, difluoro-	ch2f2
718	CH₂FCl	fluorochloromethane	ch2fcl
719	SiH₂F₂	difluorosilane	sih2f2
720	CH₂Cl₂	Methylene chloride	ch2cl2
721	CH₂BrF	Methane, bromofluoro-	ch2fbr
722	CH₂BrCl	Methane, bromochloro-	ch2clbr
723	CH₂FI	fluoroiodomethane	ch2fi
724	CH₂Br₂	dibromomethane	ch2br2
725	CH₂ClI	chloroiodomethane	ch2cli
726	CH₂BrI	bromoiodomethane	ch2bri
727	CH₂I₂	Diiodomethane	ch2i2
728	SiH₂Cl₂	dichlorosilane	sih2cl2
729	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
730	CH₂CHF⁺	fluoroethene cation	ch2chf+
731	C₂H₃Cl	Ethene, chloro-	ch2chcl
732	C₂H₃Br	vinyl bromide	c2h3br
733	C₂H₃I	Vinyl iodide	c2h3i
734	CH₂FOH	fluoromethanol	ch2foh
735	CH₃OCl	methyl hypochlorite	ch3ocl
736	C₂H₅F	fluoroethane	c2h5f
737	CH₃CH₂Cl	Ethyl chloride	c2h5cl
738	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
739	C₂H₅Br	Ethyl bromide	etbr
740	C₂H₅I	Ethyl iodide	c2h5i
741	KrF₂	Krypton difluoride	krf2
742	XeF₂	Xenon difluoride	xef2
743	B₄H₁₀	Tetraborane(10)	b4h10
744	C₄⁺	Carbon tetramer cation	c4+
745	C₄H₂	Diacetylene	c4h2
746	C₂H₃CCH	1-Buten-3-yne	c2h3cch
747	C₄H₄	cyclobutadiene	cbd
748	C₄H₄	Tetrahedrane	c4h4
749	H₂CCCCH₂	Butatriene	h2cccch2
750	C₄H₆	1-Methylcyclopropene	c3100047
751	C₄H₆	Cyclobutene	c822355
752	C₄H₆	Methylenecyclopropane	c6142730
753	CH₂CCHCH₃	1,2-Butadiene	butad12
754	CH₂CHCHCH₂	1,3-Butadiene	c106990
755	CH₃CCCH₃	2-Butyne	c503173
756	CHCCH₂CH₃	1-Butyne	c107006
757	CH₃CHCHCH₂	methylallyl radical	c4h7
758	C₄H₈	methylcyclopropane	mcp
759	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
760	CH₂CHCH₂CH₃	1-Butene	bute1
761	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
762	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
763	B(CH₃)₃	trimethylborane	bme3
764	Al(CH₃)₃	trimethyl aluminum	tma
765	C(CH₃)₃	Tert-butyl radical	tbutyl
766	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
767	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
768	CH₃CH(CH₃)CH₃	Isobutane	isobutane
769	CH₃CH₂CH₂CH₃	Butane	butane
770	SiH(CH₃)₃	trimethylsilane	trimsi
771	Li₃N	trilithium nitride	li3n
772	C₂N₂	Cyanogen	c2n2
773	P₄	Phosphorus tetramer	p4
774	As₄	Arsenic tetramer	as4
775	HCCCN	Cyanoacetylene	hcccn
776	H₂CNCN	cyanamide, methylene	ch2ncn
777	HNCCNH	Ethenediimine	hnccnh
778	C₃H₃N	acrylonitrile	ch2chcn
779	CH₃N₃	methyl azide	ch3n3
780	NH₂CCNH₂	Diaminoacetylene	daa
781	NH₂CH₂CN	Aminoacetonitrile	aan
782	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
783	C₂H₅CN	ethyl cyanide	c2h5cn
784	CH₅N₃	Guanidine	guanidine
785	C₄H₆	Bicyclo[1.1.0]butane	c157335
786	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
787	H₂NCHCHNH₂	diaminoethylene	dae
788	CH₆N₃⁺	guanidinium	ch6n3+
789	C₃H₇N	Cyclopropylamine	cpram
790	CH₇N₃	triaminomethane	tam
791	C₃H₇N	Azetidine	azet
792	C₄H₈	cyclobutane	cbutane
793	C₂H₈N₂	Ethylenediamine	ethdiam
794	CH₃NHNHCH₃	dimethyl hydrazine	dmh
795	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
796	N(CH₃)₃	Trimethylamine	trimeam
797	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
798	P(CH₃)₃	trimethylphosphine	tmp
799	N(SiH₃)₃	trisilylamine	tsa
800	As(CH₃)₃	trimethyl arsine	tmas
801	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
802	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
803	Li₂O₂	dilithium dioxide	li2o2
804	Na₂O₂	disodium dioxide	na2o2
805	K₂O₂	dipotassium dioxide	k2o2
806	C₃O	Tricarbon monoxide	c3o
807	B₂O₂	Diboron dioxide	b2o2
808	ONNO	NO dimer	onno
809	S₂N₂	Disulfur dinitride	s2n2
810	CO₃	Carbon trioxide	co3
811	CO₃^--	carbonate	co3--
812	CS₃^--	Carbonotrithioate	cs3--
813	NO₃	Nitrogen trioxide	no3
814	NO₃^-	nitrate anion	no3-
815	SO₃	Sulfur trioxide	so3
816	SO₃^--	Sulfate dianion	so3--
817	SeO₃	selenium trioxide	seo3
818	S₄	Sulfur tetramer	s4
819	TeO₃	Tellurium trioxide	teo3
820	HNO₃	Nitric acid	hno3
821	NH₂NO₂	nitramide	nh2no2
822	C₂H₂CO	cyclopropenone	c2h2co
823	C₃H₂O	Propadienal	c3h2o
824	HCCCHO	2-propynal	hcccho
825	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
826	H₂CO₃	Carbonic acid	h2co3
827	H₂CS₃	thiocarbonic acid	h2cs3
828	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
829	H₂SO₃	Sulfurous acid	h2so3
830	C₂H₃NO	Nitrosoethylene	c2h3no
831	CH₃NCO	methylisocyante	ch3nco
832	HOCH₂CN	cyanomethanol	hoch2cn
833	CH₃COO^-	acetate anion	ch3coo-
834	CH₃NO₂	Methane, nitro-	ch3no2
835	CH₃ONO	Methyl nitrite	ch3ono
836	NH₂COOH	Carbamic acid	nh2cooh
837	H₃BO₃	Boric acid	h3bo3
838	H₃AlO₃	Aluminum hydroxide	h3alo3
839	H₃CO₃⁺	carbonic acid, protonated	h3co3+
840	C₃H₄O	2-Propyn-1-ol	c107197
841	C₃H₄O	allenol	c9000071
842	C₃H₄O	Cyclopropanone	cpone
843	C₃H₄O	Methylketene	c6004440
844	CH₂CHCHO	Acrolein	c3h4o
845	NH₂CONH₂	Urea	urea
846	NH₂CONH₂⁺	Urea cation	urea+
847	NH₂CSNH₂	Thiourea	thiourea
848	C₂H₄O₂	1,3-dioxetane	c2h4o2
849	CH₃COOH	Acetic acid	ch3cooh
850	CH₃OCHO	methyl formate	ch3ocho
851	CHOCH₂OH	hydroxy acetaldehyde	haa
852	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
853	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
854	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
855	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
856	HCOOHH₂O	Formic acid water dimer	hcoohh2o
857	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
858	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
859	CH₃C(OH)=NH	Ethaninidic acid	eia
860	CH₃CHNOH	Acetaldoxime	acetaldoxime
861	CH₃CONH₂	Acetamide	acetamide
862	HCONHCH₃	N-methylformamide	nmfa
863	CH₃CSNH₂	Ethanethioamide	ch3csnh2
864	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
865	H₂NCOHNH₂⁺	urea, protonated	ureah+
866	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
867	C₃H₅OH	Cyclopropanol	cproh
868	C₃H₆O	2-Propen-1-ol	c107186
869	C₃H₆O	Acetone enol	enol
870	C₃H₆O	Oxetane	oxetane
871	C₃H₆O	Propylene oxide	prox
872	CH₃CH₂CHO	Propanal	propanal
873	CH₃COCH₃	Acetone	acetone
874	C₃H₆S	Thietane	thietane
875	C₃H₆S	Thiirane, methyl-	methiirane
876	CH₃CSCH₃	Thioacetone	ch3csch3
877	C₂H₆O₂	1,2-Ethanediol	ethdiol
878	CH₃OOCH₃	dimethylperoxide	dmp
879	CH₃SOCH₃	Dimethyl sulfoxide	dmso
880	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
881	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
882	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
883	HOCH₂CH₂NH₂	monoethanolamine	mea
884	C₃H₇OH	1-Propanol	proh
885	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
886	CH₃OC₂H₅	Ethane, methoxy-	etome
887	C₃H₇SH	1-Propanethiol	prsh
888	CH₃CHSHCH₃	2-Propanethiol	isoprsh
889	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
890	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
891	Li₂F₂	Lithium fluoride dimer	li2f2
892	Na₂F₂	Sodium Fluoride Dimer	na2f2
893	Na₂Cl₂	Disodium dichloride	na2cl2
894	C₂F₂	difluoroacetylene	c2f2
895	C₂Cl₂	dichloroacetylene	c2cl2
896	FNO₂	Nitryl fluoride	fno2
897	FONO	Nitrosyl hypofluorite	fono
898	ClNO₂	Nitryl chloride	clno2
899	BrONO	Bromine nitrite	brono
900	N₂F₂	(Z)-Difluorodiazene	n2f2_z
901	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
902	CF₂O	Carbonic difluoride	f2co
903	COFCl	Carbonic chloride fluoride	cofcl
904	CCl₂O	Phosgene	cl2co
905	Cl₂CS	Thiophosgene	cl2cs
906	COBr₂	Carbonic dibromide	cobr2
907	BF₃	Borane, trifluoro-	bf3
908	AlF₃	Aluminum trifluoride	alf3
909	BClF₂	Chlorodifluoroborane	bclf2
910	AlF₂Cl	Aluminum chloride difluoride	alclf2
911	ScF₃	Scandium trifluoride	ScF3
912	AlFCl₂	Aluminum dichloride fluoride	alcl2f
913	BCl₃	Borane, trichloro-	bcl3
914	GaF₃	Gallium trifluoride	gaf3
915	AlCl₃	Aluminum trichloride	alcl3
916	GaCl₃	Gallium trichloride	gacl3
917	BBr₃	Boron tribromide	bbr3
918	AlBr₃	Aluminum Bromide	albr3
919	ClO₃	Chlorine trioxide	clo3
920	ClO₃^-	chlorate anion	clo3-
921	BrO₃^-	Bromate anion	bro3-
922	CF₃	Trifluoromethyl radical	cf3
923	CCl₃	Trichloromethyl radical	ccl3
924	SiCl₃	trichlorosilyl radical	sicl3
925	SiCl₃⁺	trichlorosilyl cation	sicl3+
926	FOOF	Perfluoroperoxide	foof
927	ClO₂F	Chloryl fluoride	clo2f
928	F₂SO	Thionyl Fluoride	f2so
929	ClOOCl	Dichlorine dioxide	cloocl
930	FSSF	Difluorodisulfane	fssf
931	S₂F₂	Thio-thionyl fluoride	s2f2
932	SOCl₂	thionyl chloride	socl2
933	SSCl₂	Thiothionyl chloride	sscl2
934	SeOCl₂	selenium oxychloride	seocl2
935	PF₃	Phosphorus trifluoride	pf3
936	NCl₃	nitrogen trichloride	ncl3
937	AsF₃	Arsenic trifluoride	asf3
938	PCl₃	Phosphorus trichloride	pcl3
939	SbF₃	Antimony Trifluoride	sbf3
940	AsCl₃	Arsenous trichloride	ascl3
941	SbCl₃	Antimony Trichloride	sbcl3
942	PBr₃	Phosphorus tribromide	pbr3
943	AsBr₃	Arsenic tribromide	asbr3
944	NI₃	Nitrogen triiodide	ni3
945	PI₃	Phosphorus triiodide	pi3
946	ClSSCl	Disulfur dichloride	s2cl2
947	ClF₃	Chlorine trifluoride	clf3
948	BrF₃	Bromine trifluoride	brf3
949	IF₃	iodone trifluoride	if3
950	HClO₃	Chloric Acid	hclo3
951	CHF₃	Methane, trifluoro-	chf3
952	CHF₂Cl	difluorochloromethane	chf2cl
953	SiHF₃	trifluorosilane	sihf3
954	CHFCl₂	fluorodichloromethane	chfcl2
955	CDCl₃	trichloromethane-d	cdcl3
956	CHCl₃	Chloroform	chcl3
957	CHBrF₂	Methane, bromodifluoro-	chbrf2
958	SiHCl₃	Trichlorosilane	sihcl3
959	CHFClBr	fluorochlorobromomethane	chfclbr
960	CHBrCl₂	Methane, bromodichloro-	chbrcl2
961	CHF₂I	difluoroiodomethane	chf2i
962	CHBr₂F	dibromofluoromethane	chbr2f
963	CHFClI	fluorochloroiodomethane	chfcli
964	CHCl₂I	dichloroiodomethane	chcl2i
965	CHClBr₂	Methane, dibromochloro-	chclbr2
966	CHBr₃	bromoform	chbr3
967	CHI₃	Iodoform	chi3
968	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
969	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
970	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
971	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
972	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
973	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
974	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
975	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
976	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
977	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
978	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
979	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
980	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
981	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
982	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
983	CH₃COF	Acetyl fluoride	ch3cof
984	CH₂ClCHO	chloroacetaldehyde	ch2clcho
985	CH₃COCl	Acetyl Chloride	ch3cocl
986	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
987	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
988	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
989	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
990	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
991	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
992	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
993	CH₂CFCH₃	2-fluoropropene	2fpro
994	CH₂CHCH₂F	Allyl Fluoride	allylf
995	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
996	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
997	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
998	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
999	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1000	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1001	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1002	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1003	CH₃CHFCH₃	2-Fluoropropane	prf2
1004	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1005	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1006	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1007	CH₃CHBrCH₃	i-propyl bromide	iprbr
1008	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1009	B₅H₉	pentaborane9	b5h9
1010	C₅H₄	pentatetraene	ptrene
1011	C₅H₅	cyclopentadienyl radical	c5h5
1012	C₅H₅^-	cylopentadienyl anion	c5h5-
1013	C₅H₆	1,3-Cyclopentadiene	c542927
1014	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1015	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1016	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1017	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1018	C₅H₆	Cyclopropylacetylene	c6746947
1019	C₅H₆	Propellane	propellane
1020	C₅H₇	1,3-pentadienyl radical	pdyl
1021	C₅H₇	cyclopentenyl radical	cpyl
1022	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1023	C₅H₈	1,2-Pentadiene	c591957
1024	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1025	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1026	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1027	C₅H₈	1,4-Pentadiene	c591935
1028	C₅H₈	1-pentyne	a1pentyne
1029	C₅H₈	2,3-Pentadiene	c591968
1030	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1031	C₅H₈	Cyclobutane, methylene-	c1120565
1032	C₅H₈	Cyclopentene	c142290
1033	C₅H₈	Ethenylcyclopropane	c693867
1034	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1035	C₅H₁₀	1-Butene, 2-methyl-	c563462
1036	C₅H₁₀	2-Butene, 2-methyl-	c513359
1037	C₅H₁₀	2-Pentene, (E)-	c646048
1038	C₅H₁₀	2-Pentene, (Z)-	c627203
1039	C₅H₁₀	Cyclopentane	c287923
1040	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1041	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1042	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1043	C₅H₁₂	Butane, 2-methyl-	buta2
1044	C₅H₁₂	Pentane	pentane
1045	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1046	Si(CH₃)₄	tetramethylsilane	tms
1047	N₂O₃	Dinitrogen trioxide	n2o3
1048	C₃H₂N₂	Malononitrile	c3h2n2
1049	CH₂N₄	1H-Tetrazole	1htz
1050	C₃H₃N₂^-	imidizolyl anion	im-
1051	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1052	C₄H₄N^-	pyrrolide anion	c4h4n-
1053	C₃H₄N₂	1H-Pyrazole	1hpyraz
1054	C₃H₄N₂	2H-Imidazole	imid2h
1055	C₃H₄N₂	4H-Imidazole	imid4h
1056	C₄H₅N	(E)-2-Butenenitrile	c627269
1057	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1058	C₄H₅N	2H-pyrrole	pyrrole2
1059	C₄H₅N	3H-pyrrole	pyrrole3
1060	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1061	C₄H₅N	Pyrrole	pyrrole
1062	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1063	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1064	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1065	C₄H₆N⁺	pyrrole, protonated	ppyr
1066	C₃H₆N₂	3-Aminopropionitrile	c151188
1067	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1068	CH₃CH₂CH₂CN	Butanenitrile	c109740
1069	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1070	C₅H₈	Spiropentane	c157404
1071	C₄H₉N	Cyclobutylamine	cbam
1072	C₄H₉N	Pyrrolidine	pyrrolidine
1073	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1074	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1075	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1076	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1077	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1078	NH(C₂H₅)₂	diethylamine	dea
1079	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1080	C₃O₂	Carbon suboxide	c3o2
1081	B₂O₃	diboron trioxide	b2o3
1082	MgCO₃	Magnesium Carbonate	mgco3
1083	BeCO₃	Beryllium Carbonate	beco3
1084	CaCO₃	Calcium Carbonate	caco3
1085	ONONO	Nitrosyl nitrite	onono
1086	PO₄^---	phosphate	po4---
1087	SO₄^--	sulfate	so4--
1088	HOONO₂	peroxy nitric acid	hoono2
1089	HSO₄^-	bisulfate anion	hso4-
1090	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1091	C₃H₂O₂	Propiolic acid	c3h2o2
1092	CHOCOOH	oxo acetic acid	oaa
1093	CHOOCHO	diformyl ether	choocho
1094	H₂SO₄	Sulfuric acid	h2so4
1095	H₂SeO₄	Selenic acid	h2seo4
1096	C₃H₃NO	Isoxazole	isox
1097	C₃H₃NO	Oxazole	oxazole
1098	C₃H₃NS	Thiazole	thiazole
1099	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1100	CH₃NO₃	Methyl nitrate	ch3no3
1101	H₃PO₄	Phosphoric Acid	h3po4
1102	C₄H₄O	Furan	furan
1103	C₄H₄O⁺	Furan cation	furan+
1104	CH₃COCCH	3-butyn-2-one	c1423605
1105	C₄H₄S	Thiophene	furans
1106	C₄H₄Se	selenophene	c4h4se
1107	C₃H₄O₂	β–Propiolactone	beta
1108	C₃H₄O₂	2-Propenoic acid	propenoic2
1109	C₃H₄O₂	Methyl glyoxal	megly
1110	C₃H₄O₂	propanedial	propanedial
1111	C₃H₄O₂	propenalol	propenalol
1112	HOCHCCHOH	allenediol	aldiol
1113	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1114	C₂H₄O₃	trioxolane124	triox
1115	HOCH₂COOH	Hydroxyacetic acid	hac
1116	CH₂CHCONH₂	Acrylamide	c79061
1117	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1118	CH₅N₃S	Hydrazinecarbothioamide	c79196
1119	H₂NCH₂COOH	Glycine	glycine
1120	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1121	C₄H₆O	cis-2-butenal	butenal2c
1122	C₄H₆O	Cyclobutanone	cbutone
1123	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1124	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1125	CH₂CHOCHCH₂	Vinyl ether	vinylether
1126	CHOCHCHCH₃	2-Butenal	butenal2
1127	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1128	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1129	CH₂CHSCHCH₂	Divinyl sulfide	divis
1130	C₂H₆N₂O	Urea, methyl-	c598505
1131	C₃H₆O₂	1,3-Dioxolane	dioxolane
1132	CH₃CH₂COOH	Propanoic Acid	propanoic
1133	CH₃COOCH₃	methyl acetate	aame
1134	HCOOC₂H₅	Ethyl formate	faee
1135	C₂H₆O₂S	Dimethyl sulfone	c67710
1136	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1137	C₃H₇NO	dimethylformamide	dmf
1138	C₃H₇NO	Propanamide	propanam
1139	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1140	C₄H₈O	Cyclobutanol	c2919235
1141	C₄H₈O	Furan, tetrahydro-	thf
1142	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1143	CH₃COCH₂CH₃	2-Butanone	buta2one
1144	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1145	CHOCH₂CH₂CH₃	Butanal	butanal
1146	C₄H₈S	Thiophene, tetrahydro-	tht
1147	C₃H₈O₂	1,3-Propanediol	c504632
1148	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1149	C₃H₈O₂	Methane, dimethoxy-	c109875
1150	C₃H₈O₂	Propylene glycol	c57556
1151	C₃H₈S₂	1,3-Propanedithiol	c109808
1152	C₄H₁₀O	1-Butanol	butanol1
1153	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1154	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1155	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1156	C₄H₁₀O	Ethoxy ethane	etoet
1157	C₄H₁₀O	Methyl propyl ether	meopr
1158	C₄H₁₀O	Propane, 2-methoxy-	c598538
1159	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1160	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1161	C₂H₅SC₂H₅	Diethyl sulfide	etset
1162	C₄H₉SH	1-Butanethiol	bush
1163	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1164	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1165	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1166	FNO₃	Fluorine nitrate	fno3
1167	ClONO₂	Chlorine nitrate	clono2
1168	BrONO₂	Bromine nitrate	brono2
1169	TiCl₄	Titanium tetrachloride	ticl4
1170	ClO₄^-	perchlorate anion	clo4-
1171	BF₄^-	tetrafluoroboron anion	bf4-
1172	ClFO₃	Perchloryl fluoride	clfo3
1173	SO₂F₂	Sulfuryl fluoride	so2f2
1174	SO₂Cl₂	Sulfuryl chloride	so2cl2
1175	F₃NO	Nitrogen trifluoride oxide	f3no
1176	F₃PO	Phosphoryl fluoride	pf3o
1177	Cl₃PO	Phosphoryl chloride	pcl3o
1178	CF₄	Carbon tetrafluoride	cf4
1179	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1180	SiF₄	Silicon tetrafluoride	sif4
1181	CF₂Cl₂	difluorodichloromethane	cf2cl2
1182	TiF₄	Titanium tetrafluoride	tif4
1183	CFCl₃	Trichloromonofluoromethane	cfcl3
1184	CF₃Br	Bromotrifluoromethane	cf3br
1185	GeF₄	Germanium tetrafluoride	gef4
1186	CCl₄	Carbon tetrachloride	ccl4
1187	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1188	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1189	SiCl₄	Silane, tetrachloro-	sicl4
1190	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1191	CF₃I	trifluoroiodomethane	cf3i
1192	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1193	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1194	GeCl₄	Germanium Tetrachloride	gecl4
1195	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1196	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1197	CCl₃I	trichloroiodomethane	ccl3i
1198	CFBr₃	fluorotribromomethane	cfbr3
1199	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1200	CBr₃Cl	tribromochloromethane	cbr3cl
1201	CF₂I₂	difluorodiiodomethane	cf2i2
1202	CBr₄	Carbon tetrabromide	cbr4
1203	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1204	SiBr₄	Silicon tetrabromide	sibr4
1205	CBr₃I	tribromoiododmethane	cbr3i
1206	GeBr₄	Germanium tetrabromide	gebr4
1207	CI₄	tetraiodomethane	ci4
1208	SiI₄	silicon tetraiodide	sii4
1209	ClOF₃	Chlorine trifluoride oxide	clof3
1210	SF₄	Sulfur tetrafluoride	sf4
1211	SeF₄	Selenium tetrafluoride	sef4
1212	SCl₄	Sulfur tetrachloride	scl4
1213	C₂HF₃	Trifluoroethylene	c2hf3
1214	CHClCCl₂	Trichloroethylene	chclccl2
1215	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1216	HClO₄	perchloric acid	hclo4
1217	HSO₃F	Fluorosulfonic acid	hso3f
1218	CF₃OH	trifluoromethanol	cf3oh
1219	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1220	CHClCCHCl	1,3-dichloroallene	chclcchcl
1221	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1222	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1223	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1224	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1225	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1226	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1227	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1228	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1229	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1230	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1231	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1232	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1233	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1234	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1235	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1236	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1237	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1238	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1239	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1240	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1241	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1242	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1243	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1244	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1245	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1246	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1247	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1248	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1249	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1250	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1251	C₄H₉F	1-fluorobutane	butaf1
1252	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1253	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1254	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1255	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1256	C₂H₂N₂O	Furazan	furazan
1257	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1258	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1259	C₆H₂	hexatriyne	c6h2
1260	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1261	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1262	C₆H₄	Benzyne	benzyne
1263	C₆H₅	phenyl	phenyl
1264	C₆H₅^-	phenyl anion	phenyl-
1265	C₆H₆	Prismane	prismane
1266	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1267	C₆H₆	2,4-Hexadiyne	hexadiyne
1268	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1269	C₆H₆	Benzene	benzene
1270	C₆H₆	Benzvalene	bv
1271	C₆H₆	Dewar Benzene	dewar
1272	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1273	C₆H₆	Trimethylenecycopropane	tmcp
1274	C₆H₆⁺	Benzene cation	c6h6+
1275	C₆H₇⁺	benzene, protonated	c6h7+
1276	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1277	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1278	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1279	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1280	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1281	C₆H₈	3-Methylenecyclopentene	c930267
1282	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1283	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1284	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1285	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1286	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1287	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1288	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1289	C₆H₁₀	1,5-Hexadiene	c592427
1290	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1291	C₆H₁₀	1-Hexyne	hexyne1
1292	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1293	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1294	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1295	C₆H₁₀	2-Hexyne	c764352
1296	C₆H₁₀	3-Hexyne	hexyne3
1297	C₆H₁₀	cyclohexene	cyclohexene
1298	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1299	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1300	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1301	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1302	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1303	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1304	C₆H₁₂	(E)-2-Hexene	e2hexene
1305	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1306	C₆H₁₂	(E)-hex-3-ene	e3hexene
1307	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1308	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1309	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1310	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1311	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1312	C₆H₁₂	3-methylenepentane	c760214
1313	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1314	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1315	C₆H₁₂	Cyclohexane	cyclohexane
1316	C₆H₁₂	Cyclopentane, methyl-	c96377
1317	C₆H₁₂	Ethylcyclobutane	c4806615
1318	C₆H₁₂	hex-1-ene	hexene1
1319	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1320	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1321	C₆H₁₄	Hexane	hexane
1322	C₆H₁₄	Pentane, 2-methyl-	penta2
1323	C₆H₁₄	Pentane, 3-methyl-	penta3
1324	C₄N₂	2-Butynedinitrile	c4n2
1325	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1326	C₄H₂N₂	Fumaronitrile	c4h2n2
1327	C₂H₂N₄	sym-tetrazine	ttz
1328	C₃H₃N₃	1,3,5-Triazine	triazine135
1329	CH₃N₅	5-Aminotetrazole	c4418615
1330	C₄H₄N₂	1,3-Diazine	diazine13
1331	C₄H₄N₂	Pyrazine	pyrazine
1332	C₄H₄N₂	Pyridazine	pyridazine
1333	C₄H₄N₂	Succinonitrile	c110612
1334	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1335	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1336	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1337	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1338	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1339	C₅H₅N	Pyridine	pyridine
1340	B₃N₃H₆	borazine	borazine
1341	C₆H₆	Fulvene	fulvene
1342	C₅H₆N⁺	Pyridinium	c5h6n
1343	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1344	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1345	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1346	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1347	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1348	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1349	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1350	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1351	C₅H₉N	Pentanenitrile	c110598
1352	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1353	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1354	C₅H₁₁N	Cyclopentanamine	cypentam
1355	C₅H₁₁N	Piperidine	piper
1356	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1357	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1358	Li₂CO₃	Lithium Carbonate	li2co3
1359	Na₂CO₃	Sodium Carbonate	na2co3
1360	C₂O₄^--	oxalate anion	c2o4
1361	MgSO₄	Magnesium Sulfate	mgso4
1362	N₂O₄	Dinitrogen tetroxide	n2o4
1363	C₃H₂O₃	vinylene carbonate	vica
1364	C₂H₂O₄	Oxalic Acid	oxalic
1365	C₂H₃NO₃	Oxamic acid	oxamic
1366	C₄H₄O₂	2(5H)-Furanone	furanone
1367	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1368	C₂H₄N₂O₂	Oxalamide	oxalamide
1369	C₂H₄N₂S₂	Ethanedithioamide	c79403
1370	C₂H₄CO₃	Ethylene carbonate	etco3
1371	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1372	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1373	C₂H₄O₄	Formic acid dimer	fadimer
1374	C₄H₅NO	3-Methylisoxazole	isox3m
1375	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1376	C₄H₅NS	4-Methylthiazole	c693958
1377	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1378	C₅H₆O	2H-Pyran	pyran2
1379	C₅H₆O	2-methylfuran	furan2m
1380	C₅H₆O	3-Methylfuran	furan3m
1381	C₅H₆O	Pentadienal	pdal
1382	C₅H₆S	Thiophene, 2-methyl-	c554143
1383	C₅H₆S	Thiophene, 3-methyl-	c616444
1384	C₄H₆O₂	γ–Butyrolactone	c96480
1385	C₄H₆O₂	2,3-Butanedione	c431038
1386	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1387	C₄H₆O₂	Crotonic Acid	crot
1388	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1389	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1390	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1391	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1392	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1393	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1394	C₄H₆OS	Vinyl sulfoxide	c1115157
1395	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1396	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1397	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1398	C₃H₆O₃	1,3,5-Trioxane	trioxane
1399	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1400	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1401	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1402	C₄H₇NO	2-Pyrrolidinone	c616455
1403	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1404	C₄H₇NO	Methacrylamide	c79390
1405	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1406	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1407	C₃H₇ONO	Propyl nitrite	prono
1408	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1409	CH₃CH(NH₂)COOH	Alanine	alanine
1410	CH₃NHCH₂COOH	Sarcosine	sarcosine
1411	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1412	NH₂COOC₂H₅	Urethane	urethane
1413	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1414	C₅H₈O	Cyclopentanone	c120923
1415	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1416	C₅H₈O	Methyl cyclopropyl ketone	c765435
1417	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1418	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1419	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1420	C₄H₈O₂	1,3-Dioxane	dioxan13
1421	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1422	C₄H₈O₂	1,4-Dioxane	dioxan14
1423	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1424	C₄H₈O₂	Ethyl acetate	c141786
1425	C₄H₈OS	s-Ethyl thioacetate	c625605
1426	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1427	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1428	C₄H₉NO	Butanamide	c541355
1429	C₄H₉NO	Propanamide, 2-methyl-	c563837
1430	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1431	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1432	C₅H₁₀O	2-methylbutyraldehyde	2meba
1433	C₅H₁₀O	2-Pentanone	mpk
1434	C₅H₁₀O	3-Pentanone	dek
1435	C₅H₁₀O	Cyclopentanol	c96413
1436	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1437	C₅H₁₀O	Pentanal	pal
1438	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1439	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1440	C₅H₁₀S	Cyclopentanethiol	c1679078
1441	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1442	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1443	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1444	C₄H₁₀O₂	1,3-Butanediol	budiol13
1445	C₄H₁₀O₂	1,4-Butanediol	budiol14
1446	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1447	C₄H₁₀OS	Diethyl sulfoxide	c70291
1448	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1449	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1450	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1451	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1452	C₅H₁₂O	1-Pentanol	pentanol1
1453	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1454	C₅H₁₂O	2-Pentanol	peol2
1455	C₅H₁₂O	3-Pentanol	pentan3ol
1456	C₅H₁₂O	Butane, 1-methoxy-	meobu
1457	C₅H₁₂O	Propane, 1-ethoxy-	proet
1458	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1459	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1460	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1461	C₅H₁₂S	1-Pentanethiol	c110667
1462	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1463	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1464	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1465	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1466	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1467	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1468	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1469	C₄F₂	difluorobutadiyne	c4f2
1470	ClCOClCO	Oxalyl chloride	oxcl
1471	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1472	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1473	B₂F₄	Diboron tetrafluoride	b2f4
1474	B₂Cl₄	Diboron tetrachloride	b2cl4
1475	C₂F₄	Tetrafluoroethylene	c2f4
1476	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1477	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1478	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1479	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1480	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1481	C₂FCl₃	fluorotrichloroethene	c2fcl3
1482	C₂Cl₄	Tetrachloroethylene	c2cl4
1483	C₂Br₄	tetrabromoethene	c2br4
1484	CF₃OF	Trifluoromethylhypofluorite	cf3of
1485	SiF₅^-	silicon pentafluoride anion	sif5-
1486	SOF₄	Sulfur tetrafluoride oxide	sof4
1487	PF₅	Phosphorus pentafluoride	pf5
1488	AsF₅	Arsenic pentafluoride	asf5
1489	PCl₅	Phosphorus pentachloride	pcl5
1490	SF₅⁺	pentafluoro sulfur cation	sf5+
1491	SbCl₅	Antimony pentachloride	sbcl5
1492	BrF₅	bromine pentafluoride	brf5
1493	ClF₅	chlorinepentafluoride	clf5
1494	IF₅	pentafluoroiodine	if5
1495	CF₃CHO	trifluoroacetaldehyde	cf3cho
1496	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1497	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1498	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1499	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1500	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1501	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1502	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1503	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1504	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1505	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1506	CF₃COOH	trifluoroacetic acid	cf3cooh
1507	C₄H₃ClO	Furan, 2-chloro	fur2cl
1508	C₄H₃ClO	Furan,3-chloro	fur3cl
1509	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1510	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1511	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1512	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1513	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1514	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1515	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1516	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1517	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1518	C₄H₈O₂	Butanoic acid	bua
1519	C₆H₅CH₂	benzyl radical	benzyl
1520	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1521	C₆H₅CH₃	toluene	toluene
1522	C₇H₈	cycloheptatriene	cht
1523	C₇H₈	Norbornadiene	norbor
1524	C₇H₈	Quadricyclane	qucy
1525	C₇H₁₂	Norbornane	nor
1526	C₇H₁₄	cycloheptane	c7h14
1527	C₇H₁₆	2-methylhexane	2mhex
1528	C₇H₁₆	3-methylhexane	hex3m
1529	C₇H₁₆	heptane	heptane
1530	CH(CN)₃	tricyanomethane	mecn3
1531	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1532	C₆H₇N	2-Methylpyridine	mp
1533	C₆H₅NH₂	aniline	aniline
1534	C₆H₁₃N	2-Methylpiperidine	pip2m
1535	C₆H₁₃N	cyclohexanamine	cham
1536	C₆H₁₅N	triethylamine	tea
1537	N₂O₅	Dinitrogen pentoxide	n2o5
1538	C₄H₂O₃	Maleic Anhydride	malan
1539	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1540	C₅H₄O₂	furfural	furfural
1541	C₅H₅NO	2(1H)-Pyridinone	c72762006
1542	C₅H₅NO	2(3H)-Pyridinone	c9000048
1543	C₅H₅NO	2(5H)-Pyridinone	c9000037
1544	C₅H₅NO	2-Pyridinol	c109104
1545	C₅H₅NO	3(2H)-Pyridinone	c9000004
1546	C₅H₅NO	3(4H)-Pyridinone	c9000026
1547	C₅H₅NO	3(6H)-Pyridinone	c9000015
1548	C₅H₅NO	3-Pyridinol	c109002
1549	C₅H₅NO	4(1H)-Pryidinone	c9000060
1550	C₅H₅NO	4(3H)-Pryidinone	c9000059
1551	C₅H₅NO	4-Pyridinol	c626642
1552	C₆H₅OH	phenol	phenol
1553	C₆H₆O	2,4-Cyclohexadienone	c24599573
1554	C₆H₆O	2,5-Cyclohexadienone	c5664335
1555	C₆H₅SH	Benzenethiol	phsh
1556	HO₂CCHNH₂CH₂OH	Serine	serine
1557	C₅H₈O₂	Acetylacetone	acac
1558	C₄H₈O₂S	Sulfolane	sulfolane
1559	C₇H₁₀	Norbornene	norbornene
1560	CH(C₂H₃)₃	trivinyl methane	tvm
1561	C₆H₁₀O	cyclohexanone	chexo
1562	C₆H₁₂O	hexanal	c6h12o
1563	C₆H₁₂O	Oxepane	oxepane
1564	C₃H₇OC₃H₇	di-n-propyl ether	propr
1565	F₂CCCF₂	tetrafluoroallene	pfa
1566	CF₃COO^-	trifluoro acetate anion	cf3coo-
1567	CF₃COF	trifluoroacetyl fluoride	cf3cof
1568	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1569	PF₆^-	Hexafluorophosphate ion	pf6-
1570	SF₆	Sulfur Hexafluoride	sf6
1571	SeF₆	Selenium hexafluoride	sef6
1572	SF₅Cl	sulfur chloropentafluoride	sf5cl
1573	CF₃CHF₂	pentafluoroethane	cf3chf2
1574	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1575	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1576	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1577	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1578	C₆H₅F	Fluorobenzene	bzf
1579	C₆H₅Cl	chlorobenzene	bzcl
1580	C₆H₅Br	bromobenzene	bzbr
1581	C₈H₆	Calicene	calicene
1582	C₆H₅CCH	phenylacetylene	phac
1583	C₈H₆	benzocyclobutadiene	bcbd
1584	C₈H₆	Pentalene	pentalene
1585	C₆H₅CHCH₂	Styrene	styrene
1586	C₈H₈	cubane	cubane
1587	C₈H₈	cyclooctatetraene	cot
1588	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1589	CH₃C₆H₄CH₃	meta-xylene	mxylene
1590	CH₃C₆H₄CH₃	paraxylene	pxylene
1591	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1592	C₈H₁₆	cyclooctane	cyclooct
1593	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1594	C₈H₁₈	Octane	c8h18
1595	C₆H₅CN	phenyl cyanide	phcn
1596	C₆H₁₂N₂	Triethylenediamine	ted
1597	C₄O₄^--	squarate dianion	c4o4--
1598	S₄N₄	Tetrasulfur tetranitride	s4n4
1599	S₈	Octasulfur	s8
1600	C₆H₄O₂	parabenzoquinone	pbq
1601	C₄H₄N₂O₂	Uracil	uracil
1602	C₆H₅OCH₃	Anisole	anisole
1603	C₅H₉NO₂	Proline	proline
1604	C₆H₁₂O₂	Methyl pivalate	c598981
1605	C₆H₁₂O₂	Hexanoic acid	hexa
1606	C₄F₄	tetrafluorcyclobutadiene	c4f4
1607	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1608	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1609	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1610	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1611	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1612	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1613	C₂F₆	hexafluoroethane	c2f6
1614	C₂Cl₆	hexachloroethane	c2cl6
1615	IF₇	Iodine heptafluoride	if7
1616	C₆H₄F₂	metadifluorobenzene	mdfb
1617	C₆H₄F₂	orthodifluorobenzene	odfb
1618	C₆H₄F₂	1,4-difluorobenzene	pdfb
1619	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1620	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1621	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1622	C₆H₅NO	nitrosobenzene	bzno
1623	C₉H₈	Indene	indene
1624	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1625	C₉H₁₂	n-propyl benzene	prbz
1626	C₉H₂₀	Nonane	nonane
1627	C(CN)₄	tetracyanomethane	c5n4
1628	C₅H₄N₄	purine	purine
1629	C₈H₇N	Indole	indole
1630	C₃H₃N₃O₃	cyanuric acid	cyanuric
1631	C₆H₅NO₂	Nitrobenzene	c6h5no2
1632	C₆H₅COOH	benzoic acid	benzo
1633	CH₃COC₆H₅	acetophenone	acph
1634	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1635	C₃F₆	hexafluoropropene	c3f6
1636	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1637	C₈H₁₈O	1-Octanol	octanol
1638	C₁₀H₈	Azulene	azu
1639	C₁₀H₈	naphthalene	naph
1640	C₁₀H₁₀	bullvalene	bullv
1641	C₁₀H₁₆	adamantane	adamantane
1642	C₆N₄	Tetracyanoethylene	tcne
1643	C₆N₄^-	tetracyanoethylene anion	tcne-
1644	C₁₀H₂₂	Decane	decane
1645	C₄F₆	perfluorobutadiene	c4f6
1646	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1647	C₃F₈	perfluoropropane	c3f8
1648	Fe(CO)₅	Iron pentacarbonyl	ipc
1649	Fe(C₅H₅)₂	ferrocene	fecp2
1650	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1651	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1652	C₁₂H₈	Acenaphthylene	acenaph
1653	C₁₂H₈	biphenylene	biph
1654	C₁₂H₁₀	biphenyl	biphenyl
1655	C₁₂H₁₀	Heptalene	heptalene
1656	C₆H₁₂O₆	Inositol	inositol
1657	C₆F₆	hexafluorobenzene	c6f6
1658	S₂F₁₀	disulphur decafluoride	s2f10
1659	C₁₃H₁₀	Fluorene	fluorene
1660	C₁₄H₁₀	Anthracene	anth
1661	C₁₄H₁₀	Phenanthrene	phenanthrene
1662	C₁₄H₁₄	Bibenzyl	bibenzyl
1663	C₁₂H₁₀N₂	azobenzene	azobenzene
1664	C₆H₅COC₆H₅	benzophenone	benzophenone
1665	C₁₆H₁₀	Pyrene	pyrene
1666	C₁₈H₁₂	Tetracene	tetracene
1667	C₁₉H₁₆	Triphenylmethane	tpm
1668	C₂₄H₁₂	Coronene	coronene
1669	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