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

List of which calculations are completed at ROMP2 /cc-pVDZ

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	LiH⁺	lithium hydride cation	²Σ	C_∞v
15	NaH⁺	sodium hydride cation	²Σ	C_∞v
16	Be⁺	Beryllium atom cation	²S	K_h
17	Mg^-	Magnesium atom anion	²P	K_h
18	Mg⁺	Magnesium atom cation	²S	K_h
19	BeH	beryllium monohydride	²Σ	C_∞v
20	MgH	magnesium monohydride	²Σ	C_∞v
21	TiH	Titanium monohydride	⁴Φ	C_∞v
22	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
23	BeH₂⁺	Beryllium dihydride cation
24	B	Boron atom	²P	K_h
25	B	Boron atom	⁴P	K_h
26	B⁺	Boron atom cation	¹S	K_h
27	Al	Aluminum atom	²P	K_h
28	Al^-	Aluminum atom anion	³P	K_h
29	Al⁺	Aluminum atom cation	¹S	K_h
30	Sc	Scandium atom	²D	K_h
31	Sc⁺	Scandium cation	³D	K_h
32	Ga	Gallium atom	²P
33	Ga^-	Gallium atom anion	³P	O_h
34	Ga⁺	Gallium atom cation	¹S
35	BH	Boron monohydride	³Π	C_∞v
36	BH^-	boron monohydride anion	⁴Σ	C_∞v
37	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
38	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
39	BH₂^-	boron dihydride anion	³B₁	C_2v
40	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
41	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
42	BH₃⁺	boron trihydride cation	²E^'	D_3h
43	BH₃⁺	boron trihydride cation	²B₂	C_2v
44	BH₃⁺	boron trihydride cation		C_2v
45	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
46	AlH₃^-	aluminum trihydride anion		C_3v
47	AlH₃⁺	aluminum trihydride cation	²E	D_3h
48	ScH₃	Scandium trihydride	¹A₁	C_3v
49	BH₄	borohydride	²B₂	C_2v
50	BH₄^-	borohydride anion	¹A₁	T_d
51	C	Carbon atom	³P₀	K_h
52	C^-	Carbon atom anion	²D	K_h
53	C⁺	Carbon atom cation	²P	K_h
54	Si	Silicon atom	³P	K_h
55	Si^-	Silicon atom anion	⁴S	K_h
56	Si⁺	Silicon atom cation	²P	K_h
57	Ge	Germanium atom	³P	K_h
58	Ge^-	Germanium anion	⁴S	K_h
59	CH	Methylidyne	²Π_1/2	C_∞v
60	SiH	Silylidyne	²Π	C_∞v
61	SiH^-	silicon monohydride anion	³Σ	C_∞v
62	GeH	germylidene	²Π	C_∞v
63	CH₂	Methylene	³B₁	C_2v
64	CH₂	Methylene	³Σ_G	D_∞h
65	CH₂^-	methylene anion	²B₁	C_2v
66	CH₂⁺	methylene cation	²A₁	C_2v
67	CH₂⁺	methylene cation	²Π	D_∞h
68	SiH₂	silicon dihydride	³B₁	C_2v
69	SiH₂^-	silicon dihydride anion	²B₁	C_2v
70	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
71	GeH₂	germylene	¹A₁	C_2v
72	GeH₂^-	germylene anion	²B₁	C_2v
73	CH₃	Methyl radical	²A₁	D_3h
74	SiH₃	Silyl radical	²A₁	C_3v
75	SiH₃^-	Silyl anion	¹A₁	C_3v
76	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
77	GeH₃	Germyl radical	²A₁	C_3v
78	GeH₃⁺	germyl cation	¹A₁^'	D_3h
79	N	Nitrogen atom	⁴S	K_h
80	N	Nitrogen atom	²D	K_h
81	N^-	Nitrogen atom anion	³S	K_h
82	N⁺	Nitrogen atom cation	³P	K_h
83	P	Phosphorus atom	⁴S	K_h
84	P^-	Phosphorus atom anion	³P	K_h
85	P⁺	Phosphorus atom cation	³P	K_h
86	V	Vanadium atom	⁴F	K_h
87	V⁺	Vanadium atom cation	⁵D	K_h
88	As	Arsenic atomic	⁴S	K_h
89	As^-	Arsenic anion	³P	K_h
90	PH	phosphorus monohydride	³Σ^-	C_∞v
91	AsH	Arsenic monohydride	³Σ	C_∞v
92	NH₂	Amino radical	²B₁	C_2v
93	NH₂⁺	Amino cation	³B₁	C_2v
94	PH₂^-	Phosphino anion	¹A₁	C_2v
95	PH₂⁺	Phosphino cation	¹A₁	C_2v
96	AsH₂	Arsenic dihydride	²A₁	C_2v
97	NH₃^-	Ammonia anion	²A₁	C_3v
98	NH₃⁺	ammonia cation	²A₂^"	D_3h
99	PH₃⁺	Phosphine cation	²A₁	C_3v
100	AsH₃⁺	Arsine cation	²A₁	C_3v
101	NH₄	Ammonium radical
102	PH₄	Phosphoranyl radical
103	O	Oxygen atom	³S	K_h
104	O^-	Oxygen atom anion	²P	K_h
105	O⁺	Oxygen atom cation	⁴S	K_h
106	S	Sulfur atom	³P	K_h
107	S^-	Sulfur atom anion	²P	K_h
108	S⁺	Sulfur atom cation	⁴S	K_h
109	Se	Selenium atom	³P	K_h
110	Se^-	Selenium atom anion	²P	K_h
111	Se⁺	Selenium atom cation	⁴S	K_h
112	OH	Hydroxyl radical	²Π	C_∞v
113	OH^-	hydroxide anion	¹Σ	C_∞v
114	OH⁺	hydoxyl cation	³Σ	C_∞v
115	HS	Mercapto radical	²Π	C_∞v
116	HS^-	mercapto anion	¹Σ	C_∞v
117	HS⁺	sulfur monohydride cation	³Σ	C_∞v
118	CrH	Chromium hydride	⁶Σ	C_∞v
119	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
120	HSe	Selenium monohydride	²Π	C_∞v
121	HSe⁺	selenium monohydride cation	³Σ	C_∞v
122	H₂O^-	water anion	²A₁	C_2v
123	H₂O^-	water anion	²A^'	C_s
124	H₂O⁺	water cation	²B₁	C_2v
125	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
126	H₂Se	Hydrogen selenide	¹A₁	C_2v
127	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
128	H₃S⁺	Sulfonium cation	¹A₁	C_3v
129	F	Fluorine atom	²P	K_h
130	F^-	Fluorine atom anion	¹S	K_h
131	F⁺	Fluorine atom cation	³S	K_h
132	F⁺	Fluorine atom cation	¹D	K_h
133	Cl	Chlorine atom	²P	K_h
134	Cl^-	Chlorine atom anion	¹S	K_h
135	Cl⁺	Chlorine atom cation	³P	K_h
136	Cl⁺	Chlorine atom cation	¹D	K_h
137	Br	Bromine atom	²P	K_h
138	Br^-	Bromine atom anion	¹S	K_h
139	Br⁺	Bromine atom cation	³P	K_h
140	HF^-	hydrogen fluoride anion	²Σ	C_∞v
141	HF⁺	hydrogen fluoride cation	²Π	C_∞v
142	HCl^-	hydrogen chloride anion	²Σ	C_∞v
143	HCl⁺	hydrogen chloride cation	²Π	C_∞v
144	HBr^-	hydrogen bromide anion	²Σ	C_∞v
145	HBr⁺	hydrogen bromide cation	²Π	C_∞v
146	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
147	Ne	Neon atom
148	Ne^-	Neon atom anion	²S	K_h
149	Ne⁺	Neon atom cation	²P	K_h
150	Ar^-	Argon atom anion	²S	K_h
151	Ar⁺	Argon atom cation	²P	K_h
152	Kr	Krypton atom	¹S	K_h
153	Kr⁺	Krypton cation	²P	K_h
154	NeH	neon hydrogen	²Σ	C_∞v
155	ArH⁺	Argon hydride cation	¹Σ	C_∞v
156	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
157	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
158	LiBe	Lithium Beryllium	²Σ	C_∞v
159	LiMg	Lithium magnesium	²Σ	C_∞v
160	NaBe	Sodium Beryllium	²Σ	C_∞v
161	NaMg	Sodium Magnesium	²Σ	C_∞v
162	Be₂	Beryllium diatomic	³Π_g	D_∞h
163	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
164	LiB	Lithium boride	³Π	C_∞v
165	NaAl	Sodium aluminum	¹Σ	C_∞v
166	BeB	Beryllium monoboride	²Π	C_∞v
167	B₂	Boron diatomic	³Σ_g	D_∞h
168	BAl	Boron Aluminum	³Σ	C_∞v
169	BGa	Boron Gallium	³Σ	C_∞v
170	AlGa	Aluminum Gallium	³Σ	C_∞v
171	Ga₂	Gallium diatomic	³P_iu
172	HBBH	Diborane(2)	³Σ_G	D_∞h
173	B₂H₆⁺	Diborane cation
174	LiC	Lithium Carbide	⁴Σ	C_∞v
175	BeC	Beryllium Carbide	³Σ^-	C_∞v
176	BeC	Beryllium Carbide
177	CaC	Calcium monocarbide
178	BC	boron monocarbide	⁴Σ^-	C_∞v
179	BC^-	boron monocarbide anion	³Π_u	C_∞v
180	AlC	Aluminum carbide	⁴Σ	C_∞v
181	BSi	Boron silicide	⁴Σ	C_∞v
182	BSi	Boron silicide	²Σ	C_∞v
183	C₂	Carbon diatomic	³Π_u	D_∞h
184	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
185	SiC	silicon monocarbide	³Σ	C_∞v
186	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
187	SiC⁺	silicon monocarbide cation	²Π	C_∞v
188	GeC	Germanium monocarbide	¹Σ	C_∞v
189	SiGe	Silicon Germanium
190	Ge₂	Germanium diatomic	³Σ_g	D_∞h
191	C₂H	Ethynyl radical	²Σ	C_∞v
192	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
193	CCH₂	vinylidene	³B₂	C_2v
194	H₂CC^-	vinylidene anion
195	HCCH^-	acetylene anion
196	HCCH^-	acetylene anion
197	C₂H₃	vinyl	²A^'	C_s
198	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
199	C₂H₄^-	Ethylene anion	²B_2g	D_2h
200	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
201	C₂H₄⁺	Ethylene cation	²B₃	D₂
202	CH₃CH	methylmethylene	³A^"	C_s
203	C₂H₅	Ethyl radical	²A^'	C_s
204	LiN	Lithium Nitride	³Σ	C_∞v
205	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
206	LiP	Lithium monophosphide
207	BeN	Beryllium mononitride	⁴Σ	C_∞v
208	BeN	Beryllium mononitride	²Π	C_∞v
209	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
210	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
211	MgN	Magnesium Nitride
212	MgN	Magnesium Nitride
213	BP	Boron monophosphide	³Π	C_∞v
214	AlP	Aluminum monophosphide	³Σ	C_∞v
215	AlP	Aluminum monophosphide	³Π	C_∞v
216	GaN	Gallium mononitride	³Π	C_∞v
217	GaP	Gallium monophosphide	³Σ	C_∞v
218	GaAs	Gallium arsenide	³Π
219	GaAs	Gallium arsenide	¹Σ
220	BN	boron nitride	³Π	C_∞v
221	CN	Cyano radical	²Σ	C_∞v
222	SiP	Silicon monophosphide	²Π	C_∞v
223	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
224	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
225	N₂	Nitrogen diatomic
226	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
227	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
228	HNB	hydrogen nitrogen boron	²Σ	C_∞v
229	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
230	HNC⁺	hydrogen isocyanide cation
231	HCP⁺	Phosphaethyne cation
232	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
233	CNH₂	Aminomethylidyne radical	²B₂	C_2v
234	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
235	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
236	HCNH	methyleneazane	²A^'	CS cis
237	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
238	CH₂NH⁺	Methanimine cation
239	CHNH₂⁺	Aminocarbene cation
240	N₂H₄⁺	hydrazine cation	²A_G	C_2h
241	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
242	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
243	LiO	lithium oxide	²Σ	C_∞v
244	LiO^-	lithium oxide anion	¹Σ	C_∞v
245	LiO^-	lithium oxide anion	³Σ	C_∞v
246	LiO⁺	lithium oxide cation	³Σ	C_∞v
247	LiS	Lithium monosulfide	²Π	C_∞v
248	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
249	NaO	sodium monoxide	²Σ	C_∞v
250	NaS	Sodium sulfide	²Π	C_∞v
251	LiSe	Lithium monoselenide
252	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
253	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
254	BO	boron monoxide	²Σ	C_∞v
255	BO^-	boron monoxide anion	¹Σ	C_∞v
256	ScO	Scandium monoxide	²Σ	C_∞v
257	GaO	Gallium monoxide	²Σ	C_∞v
258	GaS	Gallium monosulfide
259	CO	Carbon monoxide	³Π	C_∞v
260	CO^-	carbon monoxide anion	²Π	C_∞v
261	CO⁺	carbon monoxide cation	²Σ	C_∞v
262	TiO	Titanium monoxide	³Δ	C_∞v
263	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
264	SiSe⁺	Silicon Monoselenide cation
265	NO	Nitric oxide	²Π	C_∞v
266	NO^-	nitric oxide anion	³Σ	C_∞v
267	NS	Mononitrogen monosulfide	²Π	C_∞v
268	NS^-	nitrogen sulfide anion	³Σ	C_∞v
269	PO	Phosphorus monoxide	²Π	C_∞v
270	PS	phosphorus sulfide	²Σ	C_∞v
271	VO	Vanadium monoxide	⁴Σ^-
272	AsO	Arsenic monoxide	²Π	C_∞v
273	NSe	Nitrogen monoselenide	²Π	C_∞v
274	AsS	Arsenic monosulfide	²Π	C_∞v
275	PSe	Phosphorus monoselenide	²Π	C_∞v
276	AsSe	Arsenic monoselenide	²Π	C_∞v
277	O₂	Oxygen diatomic	³Σ_g	D_∞h
278	O₂^-	oxygen diatomic anion	²Π	D_∞h
279	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
280	SO	Sulfur monoxide	³Σ	C_∞v
281	SO	Sulfur monoxide	¹Σ	C_∞v
282	SO⁺	sulfur monoxide cation	²Π	C_∞v
283	S₂	Sulfur diatomic	³Σ_g	D_∞h
284	SeO	Selenium monoxide	³Σ	C_∞v
285	Se₂	Selenium diatomic	³Σ_g	D_∞h
286	BeOH	beryllium monohydroxide	²A^'	C_s
287	COH	Hydroxymethylidyne
288	HCO	Formyl radical	²A^'	C_s
289	HCO^-	formyl anion	¹A^'	C_s
290	HCO⁺	Formyl cation	¹Σ	C_∞v
291	HCS⁺	Thioformyl cation	¹Σ	C_∞v
292	HNO	Nitrosyl hydride	¹A^'	C_s
293	HNO^-	Nitrosyl hydride anion	²A^"	C_s
294	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
295	NOH	Hydroxyimidogen	³A^"	C_s
296	NOH⁺	O-protonated nitric oxide	²A^'	C_s
297	HNS^-	Sulfur imide anion	²A	C_s
298	HO₂	Hydroperoxy radical	²A^"	C_s
299	HO₂^-	Hydroperoxy anion	¹A^'	C_s
300	HO₂⁺	Hydroperoxy cation	³A^"	C_s
301	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
302	SOH	Sulfur Hydroxide
303	SOH⁺	Sulfur Monoxide, protonated
304	HS₂	Thiosulfeno radical	²A^"	C_s
305	H₂CO^-	formaldehyde anion	²A^'	C_s
306	H₂CO^-	formaldehyde anion
307	H₂CO⁺	formaldehyde cation	²B₂	C_2v
308	H₂CS^-	thioformaldehyde anion
309	H₂CS^-	thioformaldehyde anion
310	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
311	H₂NO	nitroxide	²B₁	C_2v
312	H₂NO	nitroxide	²A^'	C_s
313	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
314	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
315	CH₂OH	Hydroxymethyl radical	²A	C₁
316	CH₃O⁺	Methoxy cation	³A₁	C_3v
317	NH₂OH⁺	Hydroxylamine cation
318	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
319	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
320	CH₃SH⁺	Methanethiol cation	²A^"	C_s
321	NH₂OH₂⁺	protonated hydroxylamine
322	NH₃OH⁺	N-protonated hydroxylamine
323	NaF⁺	sodium fluoride cation	²Σ	C_∞v
324	LiF^-	lithium fluoride anion	²Σ	C_∞v
325	LiF⁺	lithium fluoride cation	²Π	C_∞v
326	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
327	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
328	TiCl	Titanium Monochloride	⁴Σ	C_∞v
329	ZnF	Zinc monofluoride	²Σ	C_∞v
330	CaBr	Calcium monobromide
331	GaF	Gallium monofluoride	¹Σ	C_∞v
332	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
333	GaCl	Gallium monochloride	¹Σ_G	C_∞v
334	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
335	CF	Fluoromethylidyne	²Π	C_∞v
336	SiF	silicon monofluoride	²Π	C_∞v
337	SiF^-	silicon monofluoride anion	³Σ	C_∞v
338	SiCl	Clorosilylidyne	²Π	C_∞v
339	CBr	Carbon monobromide	²Π	C_∞v
340	GeF	Germanium monofluoride	²Π	C_∞v
341	GeCl	Germanium monochloride	²Π	C_∞v
342	SiBr	Silicon monobromide	²Π	C_∞v
343	SiBr⁺	Silicon monobromide cation
344	NCl	nitrogen monochloride	³Σ	C_∞v
345	NCl^-	nitrogen monochloride anion	²Π	C_∞v
346	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
347	AsF	Arsenic monofluoride	³Σ	C_∞v
348	NBr	nitrogen monobromide	³Σ^-	C_∞v
349	AsCl	Arsenic monochloride	³Σ	C_∞v
350	PBr	Phosphorus monobromide
351	FO	Oxygen monofluoride	²Π	C_∞v
352	ClO	Monochlorine monoxide	²Π	C_∞v
353	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
354	SF	Monosulfur monofluoride	²Π	C_∞v
355	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
356	SCl	sulfur monochloride	²Π	C_∞v
357	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
358	BrO	Bromine monoxide	²Π	C_∞v
359	BrO⁺	Bromine monoxide cation
360	SeF	Selenium monofluoride	²Π	C_∞v
361	SBr	Sulfur monobromide radical
362	SBr⁺	Sulfur monobromide cation
363	SeCl	Selenium monochloride	²Π	C_∞v
364	SeBr	Selenium monobromide
365	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
366	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
367	ClF⁺	clorine monofluoride cation	²Π	C_∞v
368	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
369	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
370	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
371	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
372	HCF	Fluoromethylene	³A^"	C_s
373	HCCl	Chloromethylene	³A^"	C_s
374	CHBr	bromomethylene	³A^"	C_s
375	HOCl⁺	hypochlorous acid cation
376	HOBr⁺	Hypobromous acid cation	²A^"	C_s
377	CH₂Br	bromomethyl radical	²A^'	C_s
378	CH₂Br	bromomethyl radical
379	CH₂F	fluoromethyl radical	²A	C_s
380	CH₂Cl	chloromethyl radical	²A^'	C_s
381	CH₂Cl	chloromethyl radical	²B₁	C_2v
382	CH₃F⁺	methyl fluoride cation
383	CH₃Cl⁺	Methyl chloride cation
384	CH₃Br	methyl bromide	¹A₁	C_3v
385	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
386	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
387	Li₃	Lithium trimer	²B₂	C_2v
388	C₃	carbon trimer	¹A₁	C_2v
389	C₃H₃	cyclopropenyl radical	²A^'	C_s
390	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
391	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
392	CH₃CHCH	1-propenyl radical	²A^'	C_s
393	C₃H₇	n-Propyl radical	²A^"	C₁
394	CH₃CHCH₃	Isopropyl radical	²A	C₂
395	LiCN	lithium cyanide	¹Σ	C*V LiCN
396	ZnCN	Zinc monocyanide	²Σ	C_∞v
397	ZnNC	Zinc isocyanide	²Σ	C_∞v
398	CNN	Diazocarbene
399	NCN	Cyanoimidogen	³Σ_g	D_∞h
400	N₃	azide radical	²Π_g	D_∞h
401	N₃⁺	azide cation	³Σ_g	D_∞h
402	N₃⁺	azide cation	³Σ	C_∞v
403	HCCN	cyanomethylene	³A^"	C_s
404	HCCN	cyanomethylene
405	HN₃	hydrogen azide	¹A^'	C_s
406	HN₃⁺	Hydrazoic acid cation
407	CH₃CN^-	acetonitrile anion	²E	C_3v
408	CH₃CN^-	acetonitrile anion	²A^'	C_s
409	HCNCH₂⁺	2H-Azirine cation
410	CH₂CHNH	vinylazine	²A^"	CS cis
411	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
412	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
413	LiO₂	Lithium dioxide
414	NaO₂	Sodium superoxide
415	CCO	Dicarbon monoxide	³Σ	C_∞v
416	NCO	isocyanato radical	²Π	C_∞v
417	SCN	thiocyanato radical	²Π	C_∞v
418	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
419	N₂O^-	Nitrous oxide anion	²A^'	C_s
420	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
421	CO₂^-	Carbon dioxide anion	²A₁	C_2v
422	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
423	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
424	CS₂^-	Carbon disulfide anion	²A₁	C_2v
425	NO₂	Nitrogen dioxide	²A₁	C_2v
426	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
427	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
428	NSO	sulfinyl amidogen
429	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
430	SNO	Nitrogen oxide sulfide
431	AsO₂	Aresenic dioxide	²A₁	C_2v
432	O₃^-	Ozone anion	²B₁	C_2v
433	O₃⁺	Ozone cation	²A₁	C_2v
434	SO₂	Sulfur dioxide	¹A₁	C_2v
435	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
436	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
437	S₃^-	Sulfur trimer anion	²B₁	C_2v
438	S₃⁺	Sulfur trimer cation	²B₂	C_2v
439	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
440	HCCO	ketenyl radical	²Π	C_∞v
441	HCCO	ketenyl radical	²A^"	C_s
442	HCOO	formate neutral radical	²A^'	C_s
443	HOCO	Hydrocarboxyl radical	¹A^'	cis
444	HOCO	Hydrocarboxyl radical	¹A^'	trans
445	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
446	HNO₂⁺	nitrous acid cation	²A^'	C_s
447	CH₂CO⁺	Ketene cation	²B₁	C_2v
448	Be(OH)₂	Beryllium hydroxide
449	CH₂CHO	Vinyloxy radical	²A^"	C_s
450	CH₂OOH	CH2OOH radical	²A	C₁
451	C₂H₄O⁺	ethylene oxide cation
452	CH₃CHO⁺	acetaldehyde cation
453	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
454	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
455	CH₃CH₂O	Ethoxy radical	²A^'	C_s
456	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
457	CH₃OCH₂	methoxymethyl radical	²A	C₁
458	CH₃SCH₃⁺	dimethyl sulfide cation
459	CuF₂	Copper difluoride	²Π_g	D_∞h
460	FCO	Carbonyl fluoride	²A^'	C_s
461	ClCO	carbonyl monochloride	²A^'	C_s
462	BF₂	Boron difluoride radical	²A₁	C_2v
463	CF₂	Difluoromethylene	³B₁	C_2v
464	CF₂^-	Difluoromethylene anion	²B₁	C_2v
465	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
466	SiF₂	Silicon difluoride	³B₁	C_2v
467	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
468	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
469	CBr₂	dibromomethylene	³B₁	C_2v
470	FOO⁺	Fluorine dioxide cation
471	ClOO⁺	chloroperoxy cation	¹A^'	C_s
472	OClO	Chlorine dioxide	²B₁	D_∞h
473	OClO^-	Chlorine dioxide anion	¹A^'	C_s
474	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
475	ClSO	Sulfur chloride oxide	²A^"	C_s
476	BrOO	Bromine dioxide
477	OBrO	Bromine dioxide radical	²B₁	C_2v
478	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
479	PF₂	Phosphorus difluoride
480	SF₂^-	sulfur difluoride anion	²A^'	C_s
481	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
482	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
483	HFCO⁺	formyl fluoride cation	²A^'	C_s
484	CHCl₂	dichloromethyl radical	²B₁	C_2v
485	CHCl₂	dichloromethyl radical	²A^'	C_s
486	CHF₂	difluoromethyl radical	²A	C_s
487	CHFCl	Chlorofluoromethyl radical
488	CHBr₂	dibromomethyl radical
489	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
490	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
491	CHClCH₃	1-chloroethyl radical	²A	C₁
492	C₄	Carbon tetramer	³Σ_g	D_∞h
493	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
494	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
495	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
496	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
497	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
498	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
499	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
500	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
501	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
502	HCO₃^-	bicarbonate anion
503	HSO₃	Hydroxysulfonyl radical	²A	C₁
504	C₂H₂O₂	Ethanedial	¹A_g	C_2h
505	CH₃COCH₂	Acetonyl radical	²A^"	C_s
506	C₂H₅OO	ethylperoxy radical	²A^'	C_s
507	CH₃COCH₃^-	acetone anion	²A^'	C_s
508	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
509	ClONO	chlorine nitrite	¹A^'	CS cis
510	CF₂O⁺	Carbonic difluoride cation
511	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
512	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
513	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
514	BF₃⁺	boron trifluoride cation
515	BCl₃⁺	Boron Trichloride cation
516	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
517	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
518	CF₂Cl	difluorochloromethyl radical
519	SiF₃	Silicon trifluoride radical	²A₁	C_3v
520	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
521	CFCl₂	dichlorofluoromethyl radical
522	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
523	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
524	CBr₃	tribromomethyl radical
525	NF₃	Nitrogen trifluoride	¹A₁	C_3v
526	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
527	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
528	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
529	SF₃	Sulfur trifluoride	²A^'	C_s
530	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
531	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
532	C₄H₄N	pyrrolide radical	²A₂	C_2v
533	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
534	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
535	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
536	SF₅	Sulfur pentafluoride	²A₁	C_4v
537	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
538	C₆H₅O	phenoxy radical	²B₁	C_2v
539	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
540	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	K	Potassium atom	k
14	K^-	Potassium atom anion	k-
15	K⁺	Potassium atom cation	k+
16	Cu	Copper atom	cu
17	Cu^-	Copper atom anion	cu-
18	Cu⁺	Copper atom cation	cu+
19	LiH	Lithium Hydride	lih
20	LiH^-	lithium hydride anion	lih-
21	NaH	sodium hydride	nah
22	NaH^-	sodium hydride anion	nah-
23	KH	Potassium hydride	kh
24	KH⁺	Potassium hydrogen cation	kh+
25	CuH	Copper monohydride	cuh
26	Be	Beryllium atom	be
27	Be^-	Beryllium atom anion	be-
28	Mg	Magnesium atom	mg
29	Ca	Calcium atom	ca
30	Ca^-	Calcium atom anion	ca-
31	Ca⁺	Calcium atom cation	ca+
32	Zn	Zinc atom	zn
33	Zn^-	Zinc atom anion	zn-
34	Zn⁺	Zinc atom cation	zn+
35	BeH^-	berylium monohydride anion	beh-
36	BeH⁺	beryllium monohydride cation	beh+
37	MgH^-	magnesium monohydride anion	mgh-
38	MgH⁺	magnesium monohydride cation	mgh+
39	CaH	Calcium monohydride	cah
40	CaH⁺	Calcium monohydride cation	cah+
41	ZnH	Zinc monohydride	znh
42	ZnH⁺	Zinc, protonated	znh+
43	BeH₂	beryllium dihydride	beh2
44	MgH₂	magnesium dihydride	mgh2
45	CaH₂	Calcium Hydride	cah2
46	ZnH₂	Zinc hydride	znh2
47	B^-	Boron atom anion	b-
48	BH	Boron monohydride	bh
49	BH^-	boron monohydride anion	bh-
50	BH⁺	boron monohydride cation	bh+
51	AlH	aluminum monohydride	alh
52	AlH^-	aluminum monohydride anion	alh-
53	AlH⁺	aluminum monohydride cation	alh+
54	ScH	Scandium monohydride	sch
55	GaH	Gallium monohydride	gah
56	BH₂	boron dihydride	bh2
57	BH₂⁺	Boron dihydride cation	bh2+
58	AlH₂	aluminum dihydride	alh2
59	BH₃	boron trihydride	bh3
60	BH₃^-	boron trihydride anion	bh3-
61	AlH₃	aluminum trihydride	alh3
62	GaH₃	Gallium trihydride	gah3
63	AlH₄^-	Aluminum tetrahydride anion	alh4-
64	C^-	Carbon atom anion	c-
65	Ti	Titanium atom	ti
66	Ti^-	Titanium atom anion	ti-
67	Ti⁺	Titanium atom cation	ti+
68	Ge⁺	Germanium cation	ge+
69	Sn	Tin atom	sn
70	Sn⁺	Tin cation	sn+
71	CH^-	methylidyne anion	ch-
72	CH⁺	Methylidyne cation	ch+
73	SiH⁺	silicon monohydride cation	sih+
74	GeH⁺	Germaniun monohyrdide cation	geh+
75	SiH₂	silicon dihydride	sih2
76	CH₃^-	methyl anion	ch3-
77	CH₃⁺	methyl cation	ch3+
78	CD₄	methane-d4	cd4
79	CH₂D₂	methane-d2	ch2d2
80	CH₃D	methane-d	ch3d
81	CH₄	Methane	ch4
82	CH₄^-	Methane anion	ch4-
83	CH₄⁺	Methane cation	ch4+
84	CHD₃	methane-d3	chd3
85	SiH₂D₂	silane-d2	sih2d2
86	SiH₄	Silane	sih4
87	SiH₄⁺	Silane cation	sih4+
88	GeH₄	Germane	geh4
89	SnH₄	Stannane	snh4
90	SiH₅⁺	Silane, protonated	sih5+
91	As⁺	Arsenic cation	as+
92	Sb	Antimony atom	sb
93	NH	Imidogen	nh
94	NH^-	Imidogen anion	nh-
95	NH⁺	imidogen cation	nh+
96	PH^-	phosphorus monohydride anion	ph-
97	PH⁺	phosphorus monohydride cation	ph+
98	AsH⁺	Arsenic monohydride cation	ash+
99	SbH	Antimony monohydride	sbh
100	ND₂	Amidogen-d2	nd2
101	NH₂^-	amino anion	nh2-
102	PH₂	Phosphino radical	ph2
103	AsH₂⁺	Arsenic dihydride cation	ash2+
104	ND₃	Ammonia-d3	nd3
105	NH₃	Ammonia	nh3
106	PH₃	Phosphine	ph3
107	AsH₃	Arsine	ash3
108	SbH₃	Stibine	sbh3
109	AsH₄⁺	Arsonium	ash4+
110	NH₄⁺	ammonium cation	nh4+
111	PH₄⁺	phosphonium cation	ph4+
112	Cr	Chromium atom	cr
113	Te	Tellurium atom	te
114	Te⁺	Tellurium atom cation	te+
115	DO	Hydroxyl-d	od
116	DS	Mercapto-d	ds
117	HSe^-	selenium monohydride anion	hse-
118	TeH	Telluryl radical	teh
119	D₂O	Deuterium oxide	d2o
120	H₂O	Water	h2o
121	HDO	Water-d1	hdo
122	D₂S	Hydrogen sulfide-d2	d2s
123	H₂S	Hydrogen sulfide	h2s
124	H₂S^-	Hydrogen sulfide anion	h2s-
125	H₂Te	Hydrogen Telluride	h2te
126	H₃O⁺	hydronium cation	h3o+
127	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
128	Mn	Manganese atom	mn
129	I	Iodine atom	iodine
130	I^-	Iodine atom anion	iodine-
131	I⁺	Iodine atom cation	iodine+
132	DF	Hydrofluoric acid-d	df
133	HF	Hydrogen fluoride	hf
134	DCl	Hydrochloric acid-d	dcl
135	HCl	Hydrogen chloride	hcl
136	HBr	hydrogen bromide	hbr
137	HI	Hydrogen iodide	hi
138	HI⁺	Hydrogen iodide cation	hi+
139	H₂F⁺	dihydrogen fluoride cation	h2f+
140	H₂Br⁺	protonated hydrogen bromide	h2br+
141	H₂I⁺	Iodonium	h2i+
142	Ne	Neon atom	ne
143	Ar	Argon atom	ar
144	Fe	Iron atom	fe
145	Xe	Xenon atom	xe
146	HeLi⁺	Helium Lithium cation	heli+
147	NeH⁺	neon hydrogen cation	neh+
148	KrH⁺	Protonated Krypton	krh+
149	XeH⁺	Xenon, protonated	xeh+
150	H₂Ar	H2 Ar dimer	h2ar
151	Co	Cobalt atom	cobalt
152	Ni	Nickel atom	ni
153	Li₂	Lithium diatomic	li2
154	Li₂^-	lithium diatomic anion	li2-
155	Li₂⁺	lithium diatomic cation	li2+
156	NaLi	lithium sodium	lina
157	NaLi^-	lithium sodium anion	lina-
158	NaLi⁺	lithium sodium cation	lina+
159	LiK	Lithium Potassium	lik
160	Na₂	Sodium diatomic	na2
161	NaK	Sodium Potassium	nak
162	NaK⁺	Sodium Potassium diatomic cation	nak+
163	K₂	Potassium diatomic	k2
164	Cu₂	Copper diatomic	cu2
165	Be₂	Beryllium diatomic	be2
166	Be₂⁺	Beryllium diatomic cation	be2+
167	BeMg	Beryllium Magnesium	bemg
168	Mg₂	Magnesium diatomic	mg2
169	Mg₂^-	magnesium diatomic anion	mg2-
170	Mg₂⁺	magnesium diatomic cation	mg2+
171	Ca₂	Calcium diatomic	ca2
172	LiAl	Lithium Aluminum	lial
173	B₂^-	Boron diatomic anion	b2-
174	B₂⁺	Boron diatomic cation	b2+
175	Al₂	Aluminum diatomic	al2
176	Al₂^-	aluminum diatomic anion	al2-
177	Al₂⁺	aluminum diatomic cation	al2+
178	LiBH₄	Lithium borohydride	libh4
179	B₂H₄	Diborane(4) D2d	b2h4
180	HBHHBH	Diborane(4) C2V	hbhhbh
181	B₂H₆	Diborane	b2h6
182	Al₂H₆	dialane	al2h6
183	Ga₂H₆	digallane	ga2h6
184	BC⁺	boron monocarbide cation	bc+
185	C₂	Carbon diatomic	c2
186	C₂^-	carbon diatomic anion	c2-
187	Si₂	Silicon diatomic	si2
188	Si₂^-	silcon diatomic anion	si2-
189	Si₂⁺	silcon diatomic cation	si2+
190	C₂H^-	Ethynyl anion	c2h-
191	C₂H⁺	Ethynyl cation	c2h+
192	ZnCH₂	Zinc methylene	znch2
193	C₂H₂	Acetylene	c2h2
194	CCH₂	vinylidene	vinylidene
195	Si₂H₂	disilyne	si2h2
196	CH₃Li	methyl lithium	ch3li
197	CuCH₃	monomethyl copper	cuch3
198	ZnCH₃	Zinc monomethyl	znch3
199	CH₂BH	methyleneborane	ch2bh
200	C₂H₃^-	vinyl anion	c2h3-
201	C₂H₄	Ethylene	c2h4
202	CH₂SiH₂	silaethylene	ch2sih2
203	Si₂H₄	Disilene	si2h4
204	CH₃BH₂	methylborane	ch3bh2
205	C₂H₅^-	Ethyl anion	c2h5-
206	C₂H₅⁺	Ethyl cation	c2h5+
207	C₂H₆	Ethane	c2h6
208	C₂H₆⁺	ethane cation	c2h6+
209	CH₃SiH₃	methyl silane	ch3sih3
210	Si₂H₆	disilane	si2h6
211	GeH₃CH₃	methyl germane	geh3ch3
212	C₂H₇⁺	Ethane, protonated	c2h7+
213	BeN⁺	Beryllium mononitride cation	ben+
214	BN^-	boron nitride anion	bn-
215	AlN^-	aluminum mononitride anion	aln-
216	AlN⁺	aluminum mononitride cation	aln+
217	BN⁺	boron nitride cation	bn+
218	AlN	Aluminum nitride	aln
219	CN^-	cyanide anion	cn-
220	CN⁺	Cyano cation	cn+
221	CP	Carbon monophosphide	cp
222	CP^-	carbon monophosphide anion	cp-
223	CP⁺	carbon monophosphide cation	cp+
224	SiN	Silicon nitride	sin
225	SiN^-	silicon mononitride anion	sin-
226	SiN⁺	silicon mononitride cation	sin+
227	TiN	Titanium mononitride	tin
228	N₂	Nitrogen diatomic	n2
229	PN	Phosphorus mononitride	pn
230	PN^-	phosphorus nitride anion	pn-
231	PN⁺	phosphorus nitride cation	pn+
232	P₂	Phosphorus diatomic	p2
233	P₂^-	phosphorus diatomic anion	p2-
234	P₂⁺	phosphorus diatomic cation	p2+
235	AsN	Arsenic mononitride	asn
236	AsP	Arsenic monophosphide	asp
237	SbN	Antimony nitride	sbn
238	As₂	Arsenic diatomic	as2
239	HNC	hydrogen isocyanide	hnc
240	HCN	Hydrogen cyanide	hcn
241	HCN^-	Hydrogen cyanide anion	hcn-
242	HCP	Phosphaethyne	hcp
243	NNH	Dinitrogen monohydride	nnh
244	NNH⁺	Dinitrogen monohydride cation	nnh+
245	HPO	Hydrogen phosphorus oxide	hpo
246	LiNH₂	lithium amide	linh2
247	HBNH	Boranimine	hbnh
248	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
249	HCNH⁺	N-protonated HCN	hcnh+
250	H₂NN	Isodiazene	h2nn
251	N₂H₂	(E)-diazene	n2h2
252	N₂H₂	(Z)-Diazene	n2h2z
253	CH₂NH	Methanimine	ch3n
254	CHNH₂	aminomethylene	chnh2
255	CH₂PH	Phosphaethene	ch3p
256	BH₂NH₂	Boranamine	bh2nh2
257	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
258	N₂H₄	Hydrazine	n2h4
259	P₂H₄	Diphosphine	p2h4
260	CH₃NH₂	methyl amine	ch3nh2
261	CH₃PH₂	Methyl phosphine	ch3ph2
262	SiH₃NH₂	Silane, amino	sih3nh2
263	N₂H₅⁺	protonated hydrazine	n2h5+
264	BH₃PH₃	borane phosphine	bh3ph3
265	BH₃NH₃	borane ammonia	bh3nh3
266	CH₃NH₃⁺	protonated methylamine	ch3nh3+
267	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
268	NH₃NH₃	Ammonia Dimer	nh3nh3
269	N₂H₇⁺	ammonia ammonium dimer	n2h7+
270	NaO^-	sodium oxide anion	nao-
271	NaO⁺	sodium oxide cation	nao+
272	KO	Potassium monoxide	ko
273	KO⁺	Potassium monoxide cation	ko+
274	CuO	Copper Monoxide	cuo
275	BeO	beryllium oxide	beo
276	BeS	beryllium sulfide	bes
277	MgO	magnesium oxide	mgo
278	MgO^-	magnesium oxide anion	mgo-
279	MgO⁺	magnesium oxide cation	mgo+
280	CaO	Calcium monoxide	cao
281	MgS	magnesium sulfide	mgs
282	MgS^-	magnesium sulfide anion	mgs-
283	MgS⁺	magnesium sulfide cation	mgs+
284	CaS	Calcium sulfide	cas
285	ZnO	zinc monoxide	zno
286	ZnS	Zinc sulfide	zns
287	BeS^-	Beryllium monosulfide anion	bes-
288	BeS⁺	Beryllium monosulfide cation	bes+
289	AlO	Aluminum monoxide	alo
290	AlO^-	Aluminum monoxide anion	alo-
291	AlO⁺	aluminum monoxide cation	alo+
292	BS	boron sulfide	bs
293	BS^-	boron monosulfide anion	bs-
294	BS⁺	boron monosulfide cation	bs+
295	AlS	Aluminum sulfide	als
296	AlS^-	aluminum monosulfide anion	als-
297	AlS⁺	aluminum monosulfide cation	als+
298	BO⁺	boron monoxide cation	bo+
299	CO	Carbon monoxide	co
300	CS	carbon monosulfide	cs
301	CS^-	carbon monosulfide anion	cs-
302	CS⁺	carbon monosulfide cation	cs+
303	SiO	Silicon monoxide	sio
304	SiO^-	silicon monoxide anion	sio-
305	SiO⁺	silicon monoxide cation	sio+
306	SiS	silicon monosulfide	sis
307	SiS^-	silicon monosulfide anion	sis-
308	SiS⁺	silicon monosulfide cation	sis+
309	CSe	Carbon monoselenide	cse
310	CSe^-	Carbon monoselenide anion	cse-
311	CSe⁺	Carbon monoselenide cation	cse+
312	GeO	Germanium monoxide	geo
313	GeS	Germanium monosulfide	ges
314	SiSe	Silicon Monoselenide	sise
315	GeSe	Germanium monoselenide	gese
316	NO⁺	nitric oxide cation	no+
317	NS⁺	nitrogen sulfide cation	ns+
318	PO^-	phosphorus monoxide anion	po-
319	PO⁺	phosphorus monoxide cation	po+
320	PS^-	phosphorus monosulfide anion	ps-
321	PS⁺	phosphorus monosulfide cation	ps+
322	O₂^--	dioxygen dianion	o2--
323	SO^-	sulfur monoxide anion	so-
324	S₂^-	sulfur diatomic anion	s2-
325	S₂⁺	sulfur diatomic cation	s2+
326	SeO^-	selenium monoxide anion	seo-
327	SeO⁺	selenium monoxide cation	seo+
328	SeS	Selenium monosulfide	ses
329	SeS^-	selenium monosulfide anion	ses-
330	SeS⁺	selenium monosulfide cation	ses+
331	TeO	Tellurium monoxide	teo
332	Se₂^-	selenium diatomic anion	se2-
333	Se₂⁺	selenium diatomic cation	se2+
334	Te₂	Tellurium diatomic	te2
335	LiOH	lithium hydroxide	lioh
336	NaOH	sodium hydroxide	naoh
337	KOH	Potassium hydroxide	koh
338	MgOH	magnesium hydroxide	mgoh
339	CaOH	Calcium monohydroxide	caoh
340	HBO	Boron hydride oxide	hbo
341	HBS	hydrogen boron sulfide	hbs
342	COH⁺	Carbon Monoxide, protonated	coh+
343	HCS	Thioformyl radical	hcs
344	HCS^-	Thioformyl anion	hcs-
345	HNS	Sulfur imide	hns
346	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
347	H₂CO	Formaldehyde	h2co
348	HOCH	hydroxycarbene	hoch
349	H₂CS	Thioformaldehyde	h2cs
350	H₂CSe	Selenoformaldehyde	h2cse
351	H₂O₂	Hydrogen peroxide	h2o2
352	H₂OO	water oxide	h2oo
353	HOSH	hydrogen thioperoxide	hosh
354	H₂S₂	Disulfane	h2s2
355	H₂Se₂	hydrogen diselenide	h2se2
356	CH₂OH⁺	hydroxymethyl cation	ch2oh+
357	CH₃O	Methoxy radical	ch3o
358	CH₃O^-	methoxy anion	ch3o-
359	CH₃S	thiomethoxy	ch3s
360	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
361	NH₂OH	hydroxylamine	nh2oh
362	NH₃O	Ammonia Oxide	nh3o
363	H₂POH	Phosphinous acid	h2poh
364	H₃PO	Phosphine oxide	h3po
365	NH₂SH	Thiohydroxylamine	nh2sh
366	NH₃S	sulfidoazane	nh3s
367	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
368	CH₃OH	Methyl alcohol	ch3oh
369	CH₃SH	Methanethiol	ch3sh
370	SiH₃OH	silanol	sih3oh
371	CH₃SeH	Methane selenol	ch3seh
372	H₂OH₂O	water dimer	h2oh2o
373	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
374	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
375	H₂ONH₃	Water Ammonia Dimer	h2onh3
376	H₅O₂⁺	Dihydroxonium ion	h5o2+
377	LiF	lithium fluoride	lif
378	LiCl	lithium chloride	licl
379	LiCl^-	lithium chloride anion	licl-
380	LiCl⁺	lithium chloride cation	licl+
381	NaF	sodium fluoride	naf
382	NaF^-	sodium fluoride anion	naf-
383	KF	Potassium Fluoride	kf
384	NaCl	Sodium Chloride	nacl
385	NaCl^-	sodium chloride anion	nacl-
386	NaCl⁺	sodium chloride cation	nacl+
387	KCl	Potassium Chloride	kcl
388	CuF	Copper monofluoride	cuf
389	LiBr	Lithium Bromide	libr
390	LiBr^-	lithium bromide anion	libr-
391	LiBr⁺	lithium bromide cation	libr+
392	CuCl	Copper monochloride	cucl
393	NaBr	Sodium Bromide	nabr
394	NaBr^-	sodium bromide anion	nabr-
395	NaBr⁺	sodium bromide cation	nabr+
396	KBr	Potassium Bromide	kbr
397	LiI	Lithium Iodide	lii
398	NaI	Sodium Iodide	nai
399	KI	Potassium Iodide	ki
400	BeF	Beryllium monofluoride	bef
401	BeCl	beryllium monochloride	becl
402	MgF	Magnesium monofluoride	mgf
403	MgF^-	magnesium fluoride anion	mgf-
404	MgF⁺	magnesium fluoride cation	mgf+
405	CaF	Calcium monofluoride	caf
406	MgCl	magnesium monochloride	mgcl
407	MgCl^-	magnesium monochloride anion	mgcl-
408	MgCl⁺	magnesium monochloride cation	mgcl+
409	CaCl	calcium monochloride	cacl
410	ZnF^-	Zinc monofluoride anion	znf-
411	ZnF⁺	Zinc monofluoride cation	znf+
412	ZnCl	Zinc monochloride	zncl
413	BeCl^-	beryllium monochloride anion	becl-
414	BeCl⁺	beryllium monochloride cation	becl+
415	BF	Boron monofluoride	bf
416	BF^-	Boron monofluoride anion	bf-
417	BF⁺	Boron monofluoride cation	bf+
418	AlF	Aluminum monofluoride	alf
419	AlF^-	Aluminum monofluoride anion	alf-
420	AlF⁺	Aluminum monofluoride cation	alf+
421	BCl	boron monochloride	bcl
422	BCl^-	boron monochloride anion	bcl-
423	BCl⁺	boron monochloride cation	bcl+
424	AlCl	Aluminum monochloride	alcl
425	AlCl^-	aluminum monochloride anion	alcl-
426	AlCl⁺	aluminum monochloride cation	alcl+
427	ScF	Scandium monofluoride	scf
428	BBr	Boron monobromide	bbr
429	AlBr	Aluminum monobromide	albr
430	AlI	Aluminum monoiodide	ali
431	GaBr	Gallium monobromide	gabr
432	CF^-	carbon monofluoride anion	cf-
433	CF⁺	carbon monofluoride cation	cf+
434	CCl	carbon monochloride	ccl
435	CCl^-	carbon monochloride anion	ccl-
436	CCl⁺	carbon monochloride cation	ccl+
437	SiF⁺	silicon monofluoride cation	sif+
438	SiCl^-	silicon monochloride anion	sicl-
439	SiCl⁺	silicon monochloride cation	sicl+
440	GeF⁺	Germanium monofluoride cation	gef+
441	GeCl⁺	Germanium monochloride cation	gecl+
442	NF	nitrogen fluoride	nf
443	NF^-	nitrogen monofluorine anion	nf-
444	NF⁺	nitrogen monofluoirde cation	nf+
445	PF	phosphorus monofluoride	pf
446	PF^-	phosphorus monofluoride anion	pf-
447	PF⁺	phosphorus monofluoride cation	pf+
448	PCl	phosphorus chloride	pcl
449	PCl^-	phosphorus monochloride anion	pcl-
450	PCl⁺	phosphorus monochloride cation	pcl+
451	SbF	Antimony monofluoride	sbf
452	SbCl	Antimony monochloride	sbcl
453	FO^-	flourine oxide anion	fo-
454	FO⁺	fluorine monoxide cation	fo+
455	ClO^-	chlorine monoxide anion	clo-
456	SF^-	sulfur monofluoride anion	sf-
457	SCl^-	sulfur monochloride anion	scl-
458	BrO^-	Bromine monoxide anion	bro-
459	IO	Iodine monoxide	io
460	BrCl	Bromine monochloride	brcl
461	F₂	Fluorine diatomic	f2
462	ClF	Chlorine monofluoride	clf
463	ClF^-	clorine monofluoride anion	clf-
464	Cl₂	Chlorine diatomic	cl2
465	BrF	Bromine monofluoride	brf
466	BrF^-	bromine fluoride anion	brf-
467	BrF⁺	bromine fluoride cation	brf+
468	BrCl^-	bromine chloride anion	brcl-
469	BrCl⁺	bromine chloride cation	brcl+
470	IF	Iodine monofluoride	if
471	Br₂	Bromine diatomic	br2
472	ICl	Iodine monochloride	icl
473	IBr	Iodine monobromide	ibr
474	I₂	Iodine diatomic	i2
475	I₂⁺	Iodine diatomic cation	i2+
476	HCF	Fluoromethylene	hcf
477	HCCl	Chloromethylene	hccl
478	HSiF	fluorosilylene	hsif
479	HSiCl	Chlorosilylene	hsicl
480	HSiBr	monobromosilylene	hsibr
481	CHBr	bromomethylene	chbr
482	HOF	Hypofluorous acid	hfo
483	DOCl	Hypochlorous acid-d	docl
484	HOCl	hypochlorous acid	hocl
485	HOBr	Hypobromous acid	hobr
486	HOI	Hypoiodous acid	hoi
487	F₂H⁺	Fluorine, protonated	f2h+
488	FHF	Hydrogen difluoride	fhf
489	FHF^-	Hydrogen difluoride anion	fhf-
490	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
491	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
492	Cl₂H⁺	Chlorine, protonated	cl2h+
493	CH₂F⁺	fluoromethyl cation	ch2f+
494	CH₂Cl⁺	chloromethyl cation	ch2cl+
495	NH₂F	monofluoroamine	nh2f
496	NH₂Cl	chloramine	nh2cl
497	H₂F₂	Hydrogen fluoride dimer	h2f2
498	CD₃F	methylfluoride-d3	cd3f
499	CH₃F	Methyl fluoride	ch3f
500	CD₃Cl	methyl chloride d3	cd3cl
501	CH₃Cl	Methyl chloride	ch3cl
502	SiH₃F	monofluorosilane	sih3f
503	SiH₃Cl	chlorosilane	sih3cl
504	GeH₃F	monofluorogermane	geh3f
505	GeH₃Cl	monochlorogermane	geh3cl
506	SiH₃Br	bromosilane	sih3br
507	CH₃I	methyl iodide	ch3i
508	SiH₃I	Silyl Iodide	sih3i
509	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
510	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
511	NH₄Cl	Ammonium chloride	nh4cl
512	LiNe⁺	Lithium Neon cation	line+
513	Ne₂	Neon diatomic	ne2
514	Ar₂	Argon diatomic	ar2
515	Li₃⁺	Lithium trimer cation	li3+
516	C₃⁺	carbon trimer cation	c3+
517	SiC₂	Silicon dicarbide	sic2
518	C₃H₃	Propargyl radical	propargyl
519	C₃H₃^-	Propargyl anion	c3h3-
520	C₃H₄	cyclopropene	cprop
521	CH₂CCH₂	allene	allene
522	CH₃CCH	propyne	propyne
523	C₃H₅	Allyl radical	allyl
524	C₃H₅⁺	Allyl cation	allyl+
525	Zn(CH₃)₂	dimethyl zinc	dmz
526	C₃H₆	Cyclopropane	c3h6
527	CH₂CHCH₃	Propene	propene
528	C₃H₇⁺	cyclopropane, protonated	c3h7+
529	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
530	C₃H₈	Propane	propane
531	SiH₂(CH₃)₂	dimethylsilane	dms
532	Si₃H₈	trisilane	si3h8
533	NaCN	Sodium Cyanide	nacn
534	KCN	Potassium cyanide	kcn
535	CuCN	Copper cyanide	cucn
536	AlCN	Aluminum monocyanide	alcn
537	AlNC	Aluminum isocyanide	alnc
538	CN₂	3H-Diazirin-3-ylidene	cn2
539	N₃^-	azide anion	n3-
540	HCNN	diazomethyl radical	hcnn
541	HNCNH	diiminomethane	hncnh
542	CH₂N₂	diazirine	ch2n2
543	CH₂NN	diazomethane	ch2nn
544	NH₂CN	cyanamide	cyanamide
545	HNNNH⁺	1,2-Triazadienium	n2h3+
546	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
547	CH₃CN	Acetonitrile	ch3cn
548	CH₃CN⁺	Acetonitrile cation	ch3cn+
549	CH₃NC	methyl isocyanide	ch3nc
550	CHNCH₂	2H-Azirine	c157164
551	CHNHCH	1H-Azirine	chnhch
552	H₂CCNH	Ethenimine	ch2cnh
553	H₂CNCH	methyleneaminomethylene	ch2nch
554	HCCNH₂	Ethynamine	hccnh2
555	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
556	NCNH₃⁺	Cyanamide, protonated	ncnh3+
557	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
558	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
559	NHCHNH₂	aminomethanimine	cn2h4
560	C₂H₅N	Aziridine	c2h5n
561	CH₂CHNH₂	aminoethene	aminoethene
562	CH₂NCH₃	N-methylmethanimine	nmm
563	CH₃CHNH	ethanimine	ethanimine
564	NH₂BHNH₂	diaminoborane	nh2bhnh2
565	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
566	C₂H₆N⁺	aziridine, protonated	c2h6n+
567	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
568	CH₃CH₂NH₂	Ethylamine	etam
569	CH₃NHCH₃	Dimethylamine	ch3nhch3
570	CH₃PHCH₃	dimethylphosphine	ch3phch3
571	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
572	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
573	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
574	Li₂O	dilithium oxide	li2o
575	Li₂S	dilithium sulfide	li2s
576	Na₂O	disodium monoxide	na2o
577	Na₂S	Sodium sulfide	na2s
578	CNO^-	fulminate	cno-
579	NCO^-	cyanate	nco-
580	SCN^-	thiocyanide anion	scn-
581	BO₂	Boron dioxide	bo2
582	BO₂^-	Boron dioxide anion	bo2-
583	N₂O	Nitrous oxide	n2o
584	NNS	Nitrogen sulfide	nns
585	PPO	Phosphorus oxide phosphide	ppo
586	CO₂	Carbon dioxide	co2
587	OCS	Carbonyl sulfide	cos
588	SiO₂	silicon dioxide	sio2
589	CS₂	Carbon disulfide	cs2
590	CS₂⁺	Carbon disulfide cation	cs2+
591	TiO₂	Titanium dioxide	tio2
592	SiS₂	Silicon disulfide	sis2
593	GeO₂	Germanium dioxide	geo2
594	OCSe	Carbonyl selenide	ocse
595	SCSe	Carbon sulfide selenide	scse
596	GeS₂	Germanium disulfide	ges2
597	CSe₂	Carbon diselenide	cse2
598	SCTe	Carbon sulfide Telluride	scte
599	PO₂	Phosphorus dioxide	po2
600	PO₂^-	Phosphorus dioxide anion	po2-
601	O₃	Ozone	o3
602	SSO	Disulfur monoxide	sso
603	S₃	Sulfur trimer	s3
604	SeO₂	Selenium dioxide	seo2
605	TeO₂	Tellurium Dioxide	teo2
606	CS₂H⁺	Carbon disulfide, protonated	cs2h+
607	HCNO	fulminic acid	hcno
608	HNCO	Isocyanic acid	hnco
609	HOCN	cyanic acid	hocn
610	HNCS	Isothiocyanic acid	hncs
611	HSCN	thiocyanic acid	hscn
612	HCO₂^-	formate anion	hco2-
613	HNNO	nitrosoazane	hnno
614	HNNO⁺	Nitrous oxide, N-protonated	hnno+
615	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
616	HNO₂	Nitrous acid	hno2
617	O₃H⁺	protonated ozone	o3h+
618	SO₂H⁺	protonated sulfur dioxide	so2h+
619	C₂H₂O	Oxirene	oxirene
620	CH₂CO	Ketene	ch2co
621	HCCOH	ethynol	hccoh
622	CH₂CS	Thioketene	ch2cs
623	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
624	NH₂NO	Nitrosamide	nh2no
625	CH₂O₂	Dioxirane	diox
626	H₂COO	Dioxymethyl radical	h2coo
627	H₂COO⁺	dioxymethyl cation	h2coo+
628	HCOOH	Formic acid	ch2o2
629	H₂O₃	Hydrogen trioxide	h2o3
630	HSSSH	trisulfane	hsssh
631	NaOCH₃	Sodium methoxide	naoch3
632	CH₂BOH	hydroxy(methylene)borane	ch2boh
633	BH₃CO	Borane carbonyl	bh3co
634	CH₃BO	Borane, methyloxo-	ch3bo
635	CH₂COH⁺	ketene, protonated	ch2coh+
636	CH₃CO	Acetyl radical	ch3co
637	CH₃CO^-	Acetyl anion	ch3co-
638	CH₃CO⁺	acetyl cation	ch3co+
639	CH₂NOH	formaldoxime	ch2noh
640	CH₃NO	nitrosomethane	ch3no
641	CHONH₂	formamide	formamide
642	CNOH₃	1,2-oxaziridine	cnoh3
643	HOCHNH	hydroxymethylimine	hochnh
644	CHSNH₂	thioformamide	chsnh2
645	NHCHSH	Methanimidothioic acid	nhchsh
646	CH₃OO	methylperoxy radical	ch3oo
647	CH₃OO^-	methylperoxy anion	ch3oo-
648	CH₃OO⁺	methylperoxy cation	ch3oo+
649	C₂H₄O	Ethylene oxide	c2h4o
650	CH₂CHOH	ethenol	ch2choh
651	CH₃CHO	Acetaldehyde	ch3cho
652	C₂H₄S	Thiirane	thiirane
653	CH₂CHSH	Ethenethiol	ch2chsh
654	CH₃CHS	Thioacetaldehyde	ch3chs
655	H₂CONH₂⁺	protonated formamide	h2conh2+
656	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
657	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
658	CH₂(OH)₂	methanediol	ch2o2h2
659	CH₃OOH	Methyl peroxide	ch3ooh
660	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
661	HSCH₂SH	Methanedithiol	ch4s2
662	H₂OH₂CO	water formaldehyde dimer	h2oh2co
663	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
664	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
665	NH₂CH₂OH	aminomethanol	nh2ch2oh
666	CH₃CH₂OH	Ethanol	etoh
667	CH₃OCH₃	Dimethyl ether	meome
668	CH₃CH₂SH	ethanethiol	etsh
669	CH₃SCH₃	Dimethyl sulfide	mesme
670	CH₃SeCH₃	dimethylselenide	dmse
671	CH₃OHH₂O	methanol water dimer	ch3ohh2o
672	H₂OCH₃OH	water methanol dimer	h2och3oh
673	ZnF₂	Zinc difluoride	znf2
674	CNF	iso cyanogen fluoride	cnf
675	FCN	Cyanogen fluoride	fcn
676	ClCN	chlorocyanogen	clcn
677	BrCN	Cyanogen bromide	brcn
678	ICN	Cyanogen iodide	icn
679	FBO	Boron monofluoride monoxide	fbo
680	BeF₂	Beryllium fluoride	bef2
681	MgF₂	Magnesium fluoride	mgf2
682	BeCl₂	Beryllium chloride	becl2
683	MgCl₂	Magnesium dichloride	mgcl2
684	CaCl₂	Calcium Chloride	cacl2
685	ZnCl₂	Zinc dichloride	zncl2
686	BeBr₂	Beryllium bromide	bebr2
687	CaBr₂	Calcium dibromide	cabr2
688	CaF₂	Calcium difluoride	caf2
689	FCO⁺	Carbonyl fluoride cation	fco+
690	FNO	Nitrosyl fluoride	fno
691	ClNO	Nitrosyl chloride	clno
692	FNS	Thionitrosyl fluoride	fns
693	FSN	Thiazyl fluoride	fsn
694	OPCl	Phosphorus oxychloride	opcl
695	BrNO	Nitrosyl bromide	brno
696	INO	Nitrosyl iodide	ino
697	CF₂	Difluoromethylene	cf2
698	CFCl	chlorofluoromethylene	cfcl
699	SiF₂	Silicon difluoride	sif2
700	CCl₂	dichloromethylene	ccl2
701	CCl₂^-	dichloromethylene anion	ccl2-
702	SiCl₂	Dichlorosilylene	sicl2
703	GeF₂	Germanium difluoride	gef2
704	GeCl₂	Germanium dichloride	gecl2
705	CBr₂	dibromomethylene	cbr2
706	FOO	Dioxygen monofluoride radical	foo
707	ClOO	chloroperoxy radical	cloo
708	ClS₂	Sulfur chloride	cls2
709	NF₂	Difluoroamino radical	nf2
710	PF₂⁺	Phosphorus difluoride cation	pf2+
711	FClO	chlorosyl fluoride	fclo
712	F₂O	Difluorine monoxide	f2o
713	ClOF	Chlorine hypofluorite	clof
714	SF₂	sulfur difluoride	sf2
715	Cl₂O	Dichlorine monoxide	cl2o
716	SCl₂	Sulfur dichloride	scl2
717	SeF₂	Selenium difluoride	sef2
718	BrOCl	Bromine hypochlorite	brocl
719	SeCl₂	Selenium Dichloride	secl2
720	SBr₂	Sulfur dibromide	sbr2
721	SeBr₂	Selenium dibromide	sebr2
722	BrOBr	Bromine oxide	brobr
723	F₃^-	trifluoride anion	f3-
724	Cl₃^-	trichloride anion	cl3-
725	Br₃^-	tribromide anion	br3-
726	I₃^-	triiodide	i3-
727	SFCl	Sulfur chloride fluoride	sfcl
728	HCCF	Fluoroacetylene	hccf
729	HCCCl	Chloroacetylene	hcccl
730	HCCBr	bromoacetylene	hccbr
731	HFCO	formyl fluoride	hfco
732	COHCl	Formyl chloride	cohcl
733	COHBr	Formyl bromide	cohbr
734	BHF₂	Difluoroborane	bhf2
735	BHCl₂	Borane, dichloro-	bhcl2
736	CHF₂⁺	difluoromethyl cation	chf2+
737	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
738	CHCl₂⁺	dichloromethyl cation	chcl2+
739	HOClO	Chlorous acid	hoclo
740	NHF₂	difluoramine	nhf2
741	NHCl₂	dichloroamine	nhcl2
742	CH₂F₂	Methane, difluoro-	ch2f2
743	CH₂FCl	fluorochloromethane	ch2fcl
744	SiH₂F₂	difluorosilane	sih2f2
745	CH₂Cl₂	Methylene chloride	ch2cl2
746	CH₂BrF	Methane, bromofluoro-	ch2fbr
747	CH₂BrCl	Methane, bromochloro-	ch2clbr
748	CH₂FI	fluoroiodomethane	ch2fi
749	CH₂Br₂	dibromomethane	ch2br2
750	CH₂ClI	chloroiodomethane	ch2cli
751	CH₂BrI	bromoiodomethane	ch2bri
752	CH₂I₂	Diiodomethane	ch2i2
753	SiH₂Cl₂	dichlorosilane	sih2cl2
754	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
755	CH₂CHF⁺	fluoroethene cation	ch2chf+
756	C₂H₃Cl	Ethene, chloro-	ch2chcl
757	C₂H₃Br	vinyl bromide	c2h3br
758	C₂H₃I	Vinyl iodide	c2h3i
759	CH₂FOH	fluoromethanol	ch2foh
760	CH₃OCl	methyl hypochlorite	ch3ocl
761	C₂H₅F	fluoroethane	c2h5f
762	CH₃CH₂Cl	Ethyl chloride	c2h5cl
763	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
764	C₂H₅Br	Ethyl bromide	etbr
765	C₂H₅I	Ethyl iodide	c2h5i
766	KrF₂	Krypton difluoride	krf2
767	XeF₂	Xenon difluoride	xef2
768	B₄H₁₀	Tetraborane(10)	b4h10
769	C₄⁺	Carbon tetramer cation	c4+
770	C₄H₂	Diacetylene	c4h2
771	C₂H₃CCH	1-Buten-3-yne	c2h3cch
772	C₄H₄	cyclobutadiene	cbd
773	C₄H₄	Tetrahedrane	c4h4
774	H₂CCCCH₂	Butatriene	h2cccch2
775	C₄H₆	1-Methylcyclopropene	c3100047
776	C₄H₆	Cyclobutene	c822355
777	C₄H₆	Methylenecyclopropane	c6142730
778	CH₂CCHCH₃	1,2-Butadiene	butad12
779	CH₂CHCHCH₂	1,3-Butadiene	c106990
780	CH₃CCCH₃	2-Butyne	c503173
781	CHCCH₂CH₃	1-Butyne	c107006
782	C₄H₈	methylcyclopropane	mcp
783	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
784	CH₂CHCH₂CH₃	1-Butene	bute1
785	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
786	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
787	B(CH₃)₃	trimethylborane	bme3
788	Al(CH₃)₃	trimethyl aluminum	tma
789	C(CH₃)₃	Tert-butyl radical	tbutyl
790	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
791	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
792	CH₃CH(CH₃)CH₃	Isobutane	isobutane
793	CH₃CH₂CH₂CH₃	Butane	butane
794	SiH(CH₃)₃	trimethylsilane	trimsi
795	Li₃N	trilithium nitride	li3n
796	C₂N₂	Cyanogen	c2n2
797	P₄	Phosphorus tetramer	p4
798	As₄	Arsenic tetramer	as4
799	HCCCN	Cyanoacetylene	hcccn
800	H₂CNCN	cyanamide, methylene	ch2ncn
801	HNCCNH	Ethenediimine	hnccnh
802	C₃H₃N	acrylonitrile	ch2chcn
803	CH₃N₃	methyl azide	ch3n3
804	NH₂CCNH₂	Diaminoacetylene	daa
805	NH₂CH₂CN	Aminoacetonitrile	aan
806	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
807	C₂H₅CN	ethyl cyanide	c2h5cn
808	CH₅N₃	Guanidine	guanidine
809	C₄H₆	Bicyclo[1.1.0]butane	c157335
810	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
811	H₂NCHCHNH₂	diaminoethylene	dae
812	CH₆N₃⁺	guanidinium	ch6n3+
813	C₃H₇N	Cyclopropylamine	cpram
814	CH₇N₃	triaminomethane	tam
815	C₃H₇N	Azetidine	azet
816	C₄H₈	cyclobutane	cbutane
817	C₂H₈N₂	Ethylenediamine	ethdiam
818	CH₃NHNHCH₃	dimethyl hydrazine	dmh
819	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
820	N(CH₃)₃	Trimethylamine	trimeam
821	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
822	P(CH₃)₃	trimethylphosphine	tmp
823	N(SiH₃)₃	trisilylamine	tsa
824	As(CH₃)₃	trimethyl arsine	tmas
825	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
826	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
827	Li₂O₂	dilithium dioxide	li2o2
828	Na₂O₂	disodium dioxide	na2o2
829	K₂O₂	dipotassium dioxide	k2o2
830	C₃O	Tricarbon monoxide	c3o
831	B₂O₂	Diboron dioxide	b2o2
832	ONNO	NO dimer	onno
833	S₂N₂	Disulfur dinitride	s2n2
834	CO₃	Carbon trioxide	co3
835	CO₃^--	carbonate	co3--
836	CS₃^--	Carbonotrithioate	cs3--
837	NO₃	Nitrogen trioxide	no3
838	NO₃^-	nitrate anion	no3-
839	SO₃	Sulfur trioxide	so3
840	SO₃^--	Sulfate dianion	so3--
841	SeO₃	selenium trioxide	seo3
842	S₄	Sulfur tetramer	s4
843	TeO₃	Tellurium trioxide	teo3
844	HNO₃	Nitric acid	hno3
845	NH₂NO₂	nitramide	nh2no2
846	C₂H₂CO	cyclopropenone	c2h2co
847	C₃H₂O	Propadienal	c3h2o
848	HCCCHO	2-propynal	hcccho
849	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
850	H₂CO₃	Carbonic acid	h2co3
851	H₂CS₃	thiocarbonic acid	h2cs3
852	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
853	H₂SO₃	Sulfurous acid	h2so3
854	C₂H₃NO	Nitrosoethylene	c2h3no
855	CH₃NCO	methylisocyante	ch3nco
856	HOCH₂CN	cyanomethanol	hoch2cn
857	CH₃COO^-	acetate anion	ch3coo-
858	CH₃NO₂	Methane, nitro-	ch3no2
859	CH₃ONO	Methyl nitrite	ch3ono
860	NH₂COOH	Carbamic acid	nh2cooh
861	H₃BO₃	Boric acid	h3bo3
862	H₃AlO₃	Aluminum hydroxide	h3alo3
863	H₃CO₃⁺	carbonic acid, protonated	h3co3+
864	C₃H₄O	2-Propyn-1-ol	c107197
865	C₃H₄O	allenol	c9000071
866	C₃H₄O	Cyclopropanone	cpone
867	C₃H₄O	Methylketene	c6004440
868	CH₂CHCHO	Acrolein	c3h4o
869	NH₂CONH₂	Urea	urea
870	NH₂CONH₂⁺	Urea cation	urea+
871	NH₂CSNH₂	Thiourea	thiourea
872	C₂H₄O₂	1,3-dioxetane	c2h4o2
873	CH₃COOH	Acetic acid	ch3cooh
874	CH₃OCHO	methyl formate	ch3ocho
875	CHOCH₂OH	hydroxy acetaldehyde	haa
876	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
877	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
878	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
879	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
880	HCOOHH₂O	Formic acid water dimer	hcoohh2o
881	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
882	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
883	CH₃C(OH)=NH	Ethaninidic acid	eia
884	CH₃CHNOH	Acetaldoxime	acetaldoxime
885	CH₃CONH₂	Acetamide	acetamide
886	HCONHCH₃	N-methylformamide	nmfa
887	CH₃CSNH₂	Ethanethioamide	ch3csnh2
888	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
889	H₂NCOHNH₂⁺	urea, protonated	ureah+
890	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
891	C₃H₅OH	Cyclopropanol	cproh
892	C₃H₆O	2-Propen-1-ol	c107186
893	C₃H₆O	Acetone enol	enol
894	C₃H₆O	Oxetane	oxetane
895	C₃H₆O	Propylene oxide	prox
896	CH₃CH₂CHO	Propanal	propanal
897	CH₃COCH₃	Acetone	acetone
898	C₃H₆S	Thietane	thietane
899	C₃H₆S	Thiirane, methyl-	methiirane
900	CH₃CSCH₃	Thioacetone	ch3csch3
901	C₂H₆O₂	1,2-Ethanediol	ethdiol
902	CH₃OOCH₃	dimethylperoxide	dmp
903	CH₃SOCH₃	Dimethyl sulfoxide	dmso
904	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
905	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
906	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
907	HOCH₂CH₂NH₂	monoethanolamine	mea
908	C₃H₇OH	1-Propanol	proh
909	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
910	CH₃OC₂H₅	Ethane, methoxy-	etome
911	C₃H₇SH	1-Propanethiol	prsh
912	CH₃CHSHCH₃	2-Propanethiol	isoprsh
913	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
914	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
915	Li₂F₂	Lithium fluoride dimer	li2f2
916	Na₂F₂	Sodium Fluoride Dimer	na2f2
917	Na₂Cl₂	Disodium dichloride	na2cl2
918	C₂F₂	difluoroacetylene	c2f2
919	C₂Cl₂	dichloroacetylene	c2cl2
920	FNO₂	Nitryl fluoride	fno2
921	FONO	Nitrosyl hypofluorite	fono
922	ClNO₂	Nitryl chloride	clno2
923	BrONO	Bromine nitrite	brono
924	N₂F₂	(Z)-Difluorodiazene	n2f2_z
925	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
926	CF₂O	Carbonic difluoride	f2co
927	COFCl	Carbonic chloride fluoride	cofcl
928	CCl₂O	Phosgene	cl2co
929	Cl₂CS	Thiophosgene	cl2cs
930	COBr₂	Carbonic dibromide	cobr2
931	BF₃	Borane, trifluoro-	bf3
932	AlF₃	Aluminum trifluoride	alf3
933	BClF₂	Chlorodifluoroborane	bclf2
934	AlF₂Cl	Aluminum chloride difluoride	alclf2
935	ScF₃	Scandium trifluoride	ScF3
936	AlFCl₂	Aluminum dichloride fluoride	alcl2f
937	BCl₃	Borane, trichloro-	bcl3
938	GaF₃	Gallium trifluoride	gaf3
939	AlCl₃	Aluminum trichloride	alcl3
940	GaCl₃	Gallium trichloride	gacl3
941	BBr₃	Boron tribromide	bbr3
942	AlBr₃	Aluminum Bromide	albr3
943	ClO₃	Chlorine trioxide	clo3
944	ClO₃^-	chlorate anion	clo3-
945	BrO₃^-	Bromate anion	bro3-
946	CF₃	Trifluoromethyl radical	cf3
947	CCl₃	Trichloromethyl radical	ccl3
948	SiCl₃	trichlorosilyl radical	sicl3
949	SiCl₃⁺	trichlorosilyl cation	sicl3+
950	FOOF	Perfluoroperoxide	foof
951	ClO₂F	Chloryl fluoride	clo2f
952	F₂SO	Thionyl Fluoride	f2so
953	ClOOCl	Dichlorine dioxide	cloocl
954	FSSF	Difluorodisulfane	fssf
955	S₂F₂	Thio-thionyl fluoride	s2f2
956	SOCl₂	thionyl chloride	socl2
957	SSCl₂	Thiothionyl chloride	sscl2
958	SeOCl₂	selenium oxychloride	seocl2
959	PF₃	Phosphorus trifluoride	pf3
960	NCl₃	nitrogen trichloride	ncl3
961	AsF₃	Arsenic trifluoride	asf3
962	PCl₃	Phosphorus trichloride	pcl3
963	SbF₃	Antimony Trifluoride	sbf3
964	AsCl₃	Arsenous trichloride	ascl3
965	SbCl₃	Antimony Trichloride	sbcl3
966	PBr₃	Phosphorus tribromide	pbr3
967	AsBr₃	Arsenic tribromide	asbr3
968	NI₃	Nitrogen triiodide	ni3
969	PI₃	Phosphorus triiodide	pi3
970	ClSSCl	Disulfur dichloride	s2cl2
971	ClF₃	Chlorine trifluoride	clf3
972	BrF₃	Bromine trifluoride	brf3
973	IF₃	iodone trifluoride	if3
974	HClO₃	Chloric Acid	hclo3
975	CHF₃	Methane, trifluoro-	chf3
976	CHF₂Cl	difluorochloromethane	chf2cl
977	SiHF₃	trifluorosilane	sihf3
978	CHFCl₂	fluorodichloromethane	chfcl2
979	CDCl₃	trichloromethane-d	cdcl3
980	CHCl₃	Chloroform	chcl3
981	CHBrF₂	Methane, bromodifluoro-	chbrf2
982	SiHCl₃	Trichlorosilane	sihcl3
983	CHFClBr	fluorochlorobromomethane	chfclbr
984	CHBrCl₂	Methane, bromodichloro-	chbrcl2
985	CHF₂I	difluoroiodomethane	chf2i
986	CHBr₂F	dibromofluoromethane	chbr2f
987	CHFClI	fluorochloroiodomethane	chfcli
988	CHCl₂I	dichloroiodomethane	chcl2i
989	CHClBr₂	Methane, dibromochloro-	chclbr2
990	CHBr₃	bromoform	chbr3
991	CHI₃	Iodoform	chi3
992	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
993	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
994	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
995	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
996	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
997	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
998	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
999	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1000	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1001	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1002	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1003	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1004	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1005	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1006	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1007	CH₃COF	Acetyl fluoride	ch3cof
1008	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1009	CH₃COCl	Acetyl Chloride	ch3cocl
1010	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1011	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1012	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1013	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1014	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1015	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1016	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1017	CH₂CFCH₃	2-fluoropropene	2fpro
1018	CH₂CHCH₂F	Allyl Fluoride	allylf
1019	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1020	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1021	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1022	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1023	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1024	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1025	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1026	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1027	CH₃CHFCH₃	2-Fluoropropane	prf2
1028	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1029	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1030	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1031	CH₃CHBrCH₃	i-propyl bromide	iprbr
1032	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1033	B₅H₉	pentaborane9	b5h9
1034	C₅H₄	pentatetraene	ptrene
1035	C₅H₅	cyclopentadienyl radical	c5h5
1036	C₅H₅^-	cylopentadienyl anion	c5h5-
1037	C₅H₆	1,3-Cyclopentadiene	c542927
1038	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1039	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1040	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1041	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1042	C₅H₆	Cyclopropylacetylene	c6746947
1043	C₅H₆	Propellane	propellane
1044	C₅H₇	1,3-pentadienyl radical	pdyl
1045	C₅H₇	cyclopentenyl radical	cpyl
1046	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1047	C₅H₈	1,2-Pentadiene	c591957
1048	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1049	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1050	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1051	C₅H₈	1,4-Pentadiene	c591935
1052	C₅H₈	1-pentyne	a1pentyne
1053	C₅H₈	2,3-Pentadiene	c591968
1054	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1055	C₅H₈	Cyclobutane, methylene-	c1120565
1056	C₅H₈	Cyclopentene	c142290
1057	C₅H₈	Ethenylcyclopropane	c693867
1058	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1059	C₅H₁₀	1-Butene, 2-methyl-	c563462
1060	C₅H₁₀	2-Butene, 2-methyl-	c513359
1061	C₅H₁₀	2-Pentene, (E)-	c646048
1062	C₅H₁₀	2-Pentene, (Z)-	c627203
1063	C₅H₁₀	Cyclopentane	c287923
1064	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1065	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1066	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1067	C₅H₁₂	Butane, 2-methyl-	buta2
1068	C₅H₁₂	Pentane	pentane
1069	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1070	Si(CH₃)₄	tetramethylsilane	tms
1071	N₂O₃	Dinitrogen trioxide	n2o3
1072	C₃H₂N₂	Malononitrile	c3h2n2
1073	CH₂N₄	1H-Tetrazole	1htz
1074	C₃H₃N₂^-	imidizolyl anion	im-
1075	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1076	C₄H₄N^-	pyrrolide anion	c4h4n-
1077	C₃H₄N₂	1H-Pyrazole	1hpyraz
1078	C₃H₄N₂	2H-Imidazole	imid2h
1079	C₃H₄N₂	4H-Imidazole	imid4h
1080	C₄H₅N	(E)-2-Butenenitrile	c627269
1081	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1082	C₄H₅N	2H-pyrrole	pyrrole2
1083	C₄H₅N	3H-pyrrole	pyrrole3
1084	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1085	C₄H₅N	Pyrrole	pyrrole
1086	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1087	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1088	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1089	C₄H₆N⁺	pyrrole, protonated	ppyr
1090	C₃H₆N₂	3-Aminopropionitrile	c151188
1091	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1092	CH₃CH₂CH₂CN	Butanenitrile	c109740
1093	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1094	C₅H₈	Spiropentane	c157404
1095	C₄H₉N	Cyclobutylamine	cbam
1096	C₄H₉N	Pyrrolidine	pyrrolidine
1097	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1098	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1099	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1100	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1101	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1102	NH(C₂H₅)₂	diethylamine	dea
1103	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1104	C₃O₂	Carbon suboxide	c3o2
1105	C₃O₂⁺	Carbon suboxide cation	c3o2+
1106	B₂O₃	diboron trioxide	b2o3
1107	MgCO₃	Magnesium Carbonate	mgco3
1108	BeCO₃	Beryllium Carbonate	beco3
1109	CaCO₃	Calcium Carbonate	caco3
1110	ONONO	Nitrosyl nitrite	onono
1111	PO₄^---	phosphate	po4---
1112	SO₄^--	sulfate	so4--
1113	HOONO₂	peroxy nitric acid	hoono2
1114	HSO₄^-	bisulfate anion	hso4-
1115	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1116	C₃H₂O₂	Propiolic acid	c3h2o2
1117	CHOCOOH	oxo acetic acid	oaa
1118	CHOOCHO	diformyl ether	choocho
1119	H₂SO₄	Sulfuric acid	h2so4
1120	H₂SeO₄	Selenic acid	h2seo4
1121	C₃H₃NO	Isoxazole	isox
1122	C₃H₃NO	Oxazole	oxazole
1123	C₃H₃NS	Thiazole	thiazole
1124	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1125	CH₃NO₃	Methyl nitrate	ch3no3
1126	H₃PO₄	Phosphoric Acid	h3po4
1127	C₄H₄O	Furan	furan
1128	C₄H₄O⁺	Furan cation	furan+
1129	CH₃COCCH	3-butyn-2-one	c1423605
1130	C₄H₄S	Thiophene	furans
1131	C₄H₄Se	selenophene	c4h4se
1132	C₃H₄O₂	β–Propiolactone	beta
1133	C₃H₄O₂	2-Propenoic acid	propenoic2
1134	C₃H₄O₂	Methyl glyoxal	megly
1135	C₃H₄O₂	propanedial	propanedial
1136	C₃H₄O₂	propenalol	propenalol
1137	HOCHCCHOH	allenediol	aldiol
1138	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1139	C₂H₄O₃	trioxolane124	triox
1140	HOCH₂COOH	Hydroxyacetic acid	hac
1141	CH₂CHCONH₂	Acrylamide	c79061
1142	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1143	CH₅N₃S	Hydrazinecarbothioamide	c79196
1144	H₂NCH₂COOH	Glycine	glycine
1145	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1146	C₄H₆O	cis-2-butenal	butenal2c
1147	C₄H₆O	Cyclobutanone	cbutone
1148	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1149	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1150	CH₂CHOCHCH₂	Vinyl ether	vinylether
1151	CHOCHCHCH₃	2-Butenal	butenal2
1152	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1153	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1154	CH₂CHSCHCH₂	Divinyl sulfide	divis
1155	C₂H₆N₂O	Urea, methyl-	c598505
1156	C₃H₆O₂	1,3-Dioxolane	dioxolane
1157	CH₃CH₂COOH	Propanoic Acid	propanoic
1158	CH₃COOCH₃	methyl acetate	aame
1159	HCOOC₂H₅	Ethyl formate	faee
1160	C₂H₆O₂S	Dimethyl sulfone	c67710
1161	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1162	C₃H₇NO	dimethylformamide	dmf
1163	C₃H₇NO	Propanamide	propanam
1164	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1165	C₄H₈O	Cyclobutanol	c2919235
1166	C₄H₈O	Furan, tetrahydro-	thf
1167	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1168	CH₃COCH₂CH₃	2-Butanone	buta2one
1169	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1170	CHOCH₂CH₂CH₃	Butanal	butanal
1171	C₄H₈S	Thiophene, tetrahydro-	tht
1172	C₃H₈O₂	1,3-Propanediol	c504632
1173	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1174	C₃H₈O₂	Methane, dimethoxy-	c109875
1175	C₃H₈O₂	Propylene glycol	c57556
1176	C₃H₈S₂	1,3-Propanedithiol	c109808
1177	C₄H₁₀O	1-Butanol	butanol1
1178	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1179	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1180	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1181	C₄H₁₀O	Ethoxy ethane	etoet
1182	C₄H₁₀O	Methyl propyl ether	meopr
1183	C₄H₁₀O	Propane, 2-methoxy-	c598538
1184	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1185	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1186	C₂H₅SC₂H₅	Diethyl sulfide	etset
1187	C₄H₉SH	1-Butanethiol	bush
1188	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1189	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1190	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1191	FNO₃	Fluorine nitrate	fno3
1192	ClONO₂	Chlorine nitrate	clono2
1193	BrONO₂	Bromine nitrate	brono2
1194	TiCl₄	Titanium tetrachloride	ticl4
1195	ClO₄^-	perchlorate anion	clo4-
1196	BF₄^-	tetrafluoroboron anion	bf4-
1197	ClFO₃	Perchloryl fluoride	clfo3
1198	SO₂F₂	Sulfuryl fluoride	so2f2
1199	SO₂Cl₂	Sulfuryl chloride	so2cl2
1200	F₃NO	Nitrogen trifluoride oxide	f3no
1201	F₃PO	Phosphoryl fluoride	pf3o
1202	Cl₃PO	Phosphoryl chloride	pcl3o
1203	CF₄	Carbon tetrafluoride	cf4
1204	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1205	SiF₄	Silicon tetrafluoride	sif4
1206	CF₂Cl₂	difluorodichloromethane	cf2cl2
1207	TiF₄	Titanium tetrafluoride	tif4
1208	CFCl₃	Trichloromonofluoromethane	cfcl3
1209	CF₃Br	Bromotrifluoromethane	cf3br
1210	GeF₄	Germanium tetrafluoride	gef4
1211	CCl₄	Carbon tetrachloride	ccl4
1212	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1213	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1214	SiCl₄	Silane, tetrachloro-	sicl4
1215	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1216	CF₃I	trifluoroiodomethane	cf3i
1217	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1218	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1219	GeCl₄	Germanium Tetrachloride	gecl4
1220	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1221	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1222	CCl₃I	trichloroiodomethane	ccl3i
1223	CFBr₃	fluorotribromomethane	cfbr3
1224	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1225	CBr₃Cl	tribromochloromethane	cbr3cl
1226	CF₂I₂	difluorodiiodomethane	cf2i2
1227	CBr₄	Carbon tetrabromide	cbr4
1228	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1229	SiBr₄	Silicon tetrabromide	sibr4
1230	CBr₃I	tribromoiododmethane	cbr3i
1231	GeBr₄	Germanium tetrabromide	gebr4
1232	CI₄	tetraiodomethane	ci4
1233	SiI₄	silicon tetraiodide	sii4
1234	ClOF₃	Chlorine trifluoride oxide	clof3
1235	SF₄	Sulfur tetrafluoride	sf4
1236	SeF₄	Selenium tetrafluoride	sef4
1237	SCl₄	Sulfur tetrachloride	scl4
1238	C₂HF₃	Trifluoroethylene	c2hf3
1239	CHClCCl₂	Trichloroethylene	chclccl2
1240	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1241	HClO₄	perchloric acid	hclo4
1242	HSO₃F	Fluorosulfonic acid	hso3f
1243	CF₃OH	trifluoromethanol	cf3oh
1244	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1245	CHClCCHCl	1,3-dichloroallene	chclcchcl
1246	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1247	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1248	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1249	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1250	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1251	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1252	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1253	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1254	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1255	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1256	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1257	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1258	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1259	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1260	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1261	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1262	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1263	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1264	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1265	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1266	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1267	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1268	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1269	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1270	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1271	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1272	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1273	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1274	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1275	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1276	C₄H₉F	1-fluorobutane	butaf1
1277	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1278	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1279	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1280	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1281	XeF₄	Xenon tetrafluoride	xef4
1282	C₂H₂N₂O	Furazan	furazan
1283	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1284	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1285	C₆H₂	hexatriyne	c6h2
1286	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1287	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1288	C₆H₄	Benzyne	benzyne
1289	C₆H₅	phenyl	phenyl
1290	C₆H₅^-	phenyl anion	phenyl-
1291	C₆H₆	Prismane	prismane
1292	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1293	C₆H₆	2,4-Hexadiyne	hexadiyne
1294	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1295	C₆H₆	Benzene	benzene
1296	C₆H₆	Benzvalene	bv
1297	C₆H₆	Dewar Benzene	dewar
1298	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1299	C₆H₆	Trimethylenecycopropane	tmcp
1300	C₆H₆⁺	Benzene cation	c6h6+
1301	C₆H₇⁺	benzene, protonated	c6h7+
1302	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1303	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1304	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1305	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1306	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1307	C₆H₈	3-Methylenecyclopentene	c930267
1308	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1309	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1310	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1311	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1312	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1313	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1314	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1315	C₆H₁₀	1,5-Hexadiene	c592427
1316	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1317	C₆H₁₀	1-Hexyne	hexyne1
1318	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1319	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1320	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1321	C₆H₁₀	2-Hexyne	c764352
1322	C₆H₁₀	3-Hexyne	hexyne3
1323	C₆H₁₀	cyclohexene	cyclohexene
1324	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1325	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1326	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1327	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1328	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1329	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1330	C₆H₁₂	(E)-2-Hexene	e2hexene
1331	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1332	C₆H₁₂	(E)-hex-3-ene	e3hexene
1333	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1334	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1335	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1336	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1337	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1338	C₆H₁₂	3-methylenepentane	c760214
1339	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1340	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1341	C₆H₁₂	Cyclohexane	cyclohexane
1342	C₆H₁₂	Cyclopentane, methyl-	c96377
1343	C₆H₁₂	Ethylcyclobutane	c4806615
1344	C₆H₁₂	hex-1-ene	hexene1
1345	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1346	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1347	C₆H₁₄	Hexane	hexane
1348	C₆H₁₄	Pentane, 2-methyl-	penta2
1349	C₆H₁₄	Pentane, 3-methyl-	penta3
1350	C₄N₂	2-Butynedinitrile	c4n2
1351	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1352	C₄H₂N₂	Fumaronitrile	c4h2n2
1353	C₂H₂N₄	sym-tetrazine	ttz
1354	C₃H₃N₃	1,3,5-Triazine	triazine135
1355	CH₃N₅	5-Aminotetrazole	c4418615
1356	C₄H₄N₂	1,3-Diazine	diazine13
1357	C₄H₄N₂	Pyrazine	pyrazine
1358	C₄H₄N₂	Pyridazine	pyridazine
1359	C₄H₄N₂	Succinonitrile	c110612
1360	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1361	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1362	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1363	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1364	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1365	C₅H₅N	Pyridine	pyridine
1366	B₃N₃H₆	borazine	borazine
1367	C₆H₆	Fulvene	fulvene
1368	C₅H₆N⁺	Pyridinium	c5h6n
1369	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1370	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1371	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1372	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1373	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1374	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1375	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1376	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1377	C₅H₉N	Pentanenitrile	c110598
1378	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1379	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1380	C₅H₁₁N	Cyclopentanamine	cypentam
1381	C₅H₁₁N	Piperidine	piper
1382	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1383	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1384	Li₂CO₃	Lithium Carbonate	li2co3
1385	Na₂CO₃	Sodium Carbonate	na2co3
1386	C₂O₄^--	oxalate anion	c2o4
1387	MgSO₄	Magnesium Sulfate	mgso4
1388	N₂O₄	Dinitrogen tetroxide	n2o4
1389	C₃H₂O₃	vinylene carbonate	vica
1390	C₂H₂O₄	Oxalic Acid	oxalic
1391	C₂H₃NO₃	Oxamic acid	oxamic
1392	C₄H₄O₂	2(5H)-Furanone	furanone
1393	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1394	C₂H₄N₂O₂	Oxalamide	oxalamide
1395	C₂H₄N₂S₂	Ethanedithioamide	c79403
1396	C₂H₄CO₃	Ethylene carbonate	etco3
1397	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1398	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1399	C₂H₄O₄	Formic acid dimer	fadimer
1400	C₄H₅NO	3-Methylisoxazole	isox3m
1401	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1402	C₄H₅NS	4-Methylthiazole	c693958
1403	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1404	C₅H₆O	2H-Pyran	pyran2
1405	C₅H₆O	2-methylfuran	furan2m
1406	C₅H₆O	3-Methylfuran	furan3m
1407	C₅H₆O	Pentadienal	pdal
1408	C₅H₆S	Thiophene, 2-methyl-	c554143
1409	C₅H₆S	Thiophene, 3-methyl-	c616444
1410	C₄H₆O₂	γ–Butyrolactone	c96480
1411	C₄H₆O₂	2,3-Butanedione	c431038
1412	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1413	C₄H₆O₂	Crotonic Acid	crot
1414	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1415	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1416	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1417	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1418	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1419	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1420	C₄H₆OS	Vinyl sulfoxide	c1115157
1421	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1422	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1423	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1424	C₃H₆O₃	1,3,5-Trioxane	trioxane
1425	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1426	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1427	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1428	C₄H₇NO	2-Pyrrolidinone	c616455
1429	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1430	C₄H₇NO	Methacrylamide	c79390
1431	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1432	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1433	C₃H₇ONO	Propyl nitrite	prono
1434	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1435	CH₃CH(NH₂)COOH	Alanine	alanine
1436	CH₃NHCH₂COOH	Sarcosine	sarcosine
1437	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1438	NH₂COOC₂H₅	Urethane	urethane
1439	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1440	C₅H₈O	Cyclopentanone	c120923
1441	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1442	C₅H₈O	Methyl cyclopropyl ketone	c765435
1443	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1444	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1445	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1446	C₄H₈O₂	1,3-Dioxane	dioxan13
1447	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1448	C₄H₈O₂	1,4-Dioxane	dioxan14
1449	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1450	C₄H₈O₂	Ethyl acetate	c141786
1451	C₄H₈OS	s-Ethyl thioacetate	c625605
1452	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1453	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1454	C₄H₉NO	Butanamide	c541355
1455	C₄H₉NO	Propanamide, 2-methyl-	c563837
1456	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1457	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1458	C₅H₁₀O	2-methylbutyraldehyde	2meba
1459	C₅H₁₀O	2-Pentanone	mpk
1460	C₅H₁₀O	3-Pentanone	dek
1461	C₅H₁₀O	Cyclopentanol	c96413
1462	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1463	C₅H₁₀O	Pentanal	pal
1464	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1465	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1466	C₅H₁₀S	Cyclopentanethiol	c1679078
1467	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1468	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1469	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1470	C₄H₁₀O₂	1,3-Butanediol	budiol13
1471	C₄H₁₀O₂	1,4-Butanediol	budiol14
1472	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1473	C₄H₁₀OS	Diethyl sulfoxide	c70291
1474	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1475	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1476	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1477	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1478	C₅H₁₂O	1-Pentanol	pentanol1
1479	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1480	C₅H₁₂O	2-Pentanol	peol2
1481	C₅H₁₂O	3-Pentanol	pentan3ol
1482	C₅H₁₂O	Butane, 1-methoxy-	meobu
1483	C₅H₁₂O	Propane, 1-ethoxy-	proet
1484	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1485	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1486	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1487	C₅H₁₂S	1-Pentanethiol	c110667
1488	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1489	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1490	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1491	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1492	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1493	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1494	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1495	C₄F₂	difluorobutadiyne	c4f2
1496	ClCOClCO	Oxalyl chloride	oxcl
1497	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1498	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1499	B₂F₄	Diboron tetrafluoride	b2f4
1500	B₂Cl₄	Diboron tetrachloride	b2cl4
1501	C₂F₄	Tetrafluoroethylene	c2f4
1502	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1503	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1504	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1505	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1506	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1507	C₂FCl₃	fluorotrichloroethene	c2fcl3
1508	C₂Cl₄	Tetrachloroethylene	c2cl4
1509	C₂Br₄	tetrabromoethene	c2br4
1510	CF₃OF	Trifluoromethylhypofluorite	cf3of
1511	SiF₅^-	silicon pentafluoride anion	sif5-
1512	SOF₄	Sulfur tetrafluoride oxide	sof4
1513	PF₅	Phosphorus pentafluoride	pf5
1514	AsF₅	Arsenic pentafluoride	asf5
1515	PCl₅	Phosphorus pentachloride	pcl5
1516	SF₅⁺	pentafluoro sulfur cation	sf5+
1517	SbCl₅	Antimony pentachloride	sbcl5
1518	BrF₅	bromine pentafluoride	brf5
1519	ClF₅	chlorinepentafluoride	clf5
1520	IF₅	pentafluoroiodine	if5
1521	CF₃CHO	trifluoroacetaldehyde	cf3cho
1522	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1523	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1524	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1525	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1526	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1527	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1528	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1529	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1530	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1531	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1532	CF₃COOH	trifluoroacetic acid	cf3cooh
1533	C₄H₃ClO	Furan, 2-chloro	fur2cl
1534	C₄H₃ClO	Furan,3-chloro	fur3cl
1535	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1536	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1537	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1538	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1539	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1540	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1541	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1542	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1543	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1544	C₄H₈O₂	Butanoic acid	bua
1545	C₆H₅CH₂	benzyl radical	benzyl
1546	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1547	C₆H₅CH₃	toluene	toluene
1548	C₇H₈	cycloheptatriene	cht
1549	C₇H₈	Norbornadiene	norbor
1550	C₇H₈	Quadricyclane	qucy
1551	C₇H₁₂	Norbornane	nor
1552	C₇H₁₄	cycloheptane	c7h14
1553	C₇H₁₆	2-methylhexane	2mhex
1554	C₇H₁₆	3-methylhexane	hex3m
1555	C₇H₁₆	heptane	heptane
1556	CH(CN)₃	tricyanomethane	mecn3
1557	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1558	C₆H₇N	2-Methylpyridine	mp
1559	C₆H₅NH₂	aniline	aniline
1560	C₆H₁₃N	2-Methylpiperidine	pip2m
1561	C₆H₁₃N	cyclohexanamine	cham
1562	C₆H₁₅N	triethylamine	tea
1563	N₂O₅	Dinitrogen pentoxide	n2o5
1564	C₄H₂O₃	Maleic Anhydride	malan
1565	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1566	C₅H₄O₂	furfural	furfural
1567	C₅H₅NO	2(1H)-Pyridinone	c72762006
1568	C₅H₅NO	2(3H)-Pyridinone	c9000048
1569	C₅H₅NO	2(5H)-Pyridinone	c9000037
1570	C₅H₅NO	2-Pyridinol	c109104
1571	C₅H₅NO	3(2H)-Pyridinone	c9000004
1572	C₅H₅NO	3(4H)-Pyridinone	c9000026
1573	C₅H₅NO	3(6H)-Pyridinone	c9000015
1574	C₅H₅NO	3-Pyridinol	c109002
1575	C₅H₅NO	4(1H)-Pryidinone	c9000060
1576	C₅H₅NO	4(3H)-Pryidinone	c9000059
1577	C₅H₅NO	4-Pyridinol	c626642
1578	C₆H₅OH	phenol	phenol
1579	C₆H₆O	2,4-Cyclohexadienone	c24599573
1580	C₆H₆O	2,5-Cyclohexadienone	c5664335
1581	C₆H₅SH	Benzenethiol	phsh
1582	HO₂CCHNH₂CH₂OH	Serine	serine
1583	C₅H₈O₂	Acetylacetone	acac
1584	C₄H₈O₂S	Sulfolane	sulfolane
1585	C₇H₁₀	Norbornene	norbornene
1586	CH(C₂H₃)₃	trivinyl methane	tvm
1587	C₆H₁₀O	cyclohexanone	chexo
1588	C₆H₁₂O	hexanal	c6h12o
1589	C₆H₁₂O	Oxepane	oxepane
1590	C₃H₇OC₃H₇	di-n-propyl ether	propr
1591	F₂CCCF₂	tetrafluoroallene	pfa
1592	CF₃COO^-	trifluoro acetate anion	cf3coo-
1593	CF₃COF	trifluoroacetyl fluoride	cf3cof
1594	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1595	PF₆^-	Hexafluorophosphate ion	pf6-
1596	SF₆	Sulfur Hexafluoride	sf6
1597	SeF₆	Selenium hexafluoride	sef6
1598	SF₅Cl	sulfur chloropentafluoride	sf5cl
1599	CF₃CHF₂	pentafluoroethane	cf3chf2
1600	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1601	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1602	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1603	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1604	C₆H₅F	Fluorobenzene	bzf
1605	C₆H₅Cl	chlorobenzene	bzcl
1606	C₆H₅Br	bromobenzene	bzbr
1607	C₈H₆	Calicene	calicene
1608	C₆H₅CCH	phenylacetylene	phac
1609	C₈H₆	benzocyclobutadiene	bcbd
1610	C₈H₆	Pentalene	pentalene
1611	C₆H₅CHCH₂	Styrene	styrene
1612	C₈H₈	cubane	cubane
1613	C₈H₈	cyclooctatetraene	cot
1614	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1615	CH₃C₆H₄CH₃	meta-xylene	mxylene
1616	CH₃C₆H₄CH₃	paraxylene	pxylene
1617	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1618	C₈H₁₆	cyclooctane	cyclooct
1619	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1620	C₈H₁₈	Octane	c8h18
1621	C₆H₅CN	phenyl cyanide	phcn
1622	C₆H₁₂N₂	Triethylenediamine	ted
1623	C₄O₄^--	squarate dianion	c4o4--
1624	S₄N₄	Tetrasulfur tetranitride	s4n4
1625	S₈	Octasulfur	s8
1626	C₆H₄O₂	parabenzoquinone	pbq
1627	C₄H₄N₂O₂	Uracil	uracil
1628	C₆H₅OCH₃	Anisole	anisole
1629	C₅H₉NO₂	Proline	proline
1630	C₆H₁₂O₂	Methyl pivalate	c598981
1631	C₆H₁₂O₂	Hexanoic acid	hexa
1632	C₄F₄	tetrafluorcyclobutadiene	c4f4
1633	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1634	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1635	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1636	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1637	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1638	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1639	C₂F₆	hexafluoroethane	c2f6
1640	C₂Cl₆	hexachloroethane	c2cl6
1641	IF₇	Iodine heptafluoride	if7
1642	C₆H₄F₂	metadifluorobenzene	mdfb
1643	C₆H₄F₂	orthodifluorobenzene	odfb
1644	C₆H₄F₂	1,4-difluorobenzene	pdfb
1645	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1646	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1647	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1648	C₆H₅NO	nitrosobenzene	bzno
1649	C₉H₈	Indene	indene
1650	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1651	C₉H₁₂	n-propyl benzene	prbz
1652	C₉H₂₀	Nonane	nonane
1653	C(CN)₄	tetracyanomethane	c5n4
1654	C₅H₄N₄	purine	purine
1655	C₈H₇N	Indole	indole
1656	C₃H₃N₃O₃	cyanuric acid	cyanuric
1657	C₆H₅NO₂	Nitrobenzene	c6h5no2
1658	C₆H₅COOH	benzoic acid	benzo
1659	CH₃COC₆H₅	acetophenone	acph
1660	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1661	C₃F₆	hexafluoropropene	c3f6
1662	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1663	C₈H₁₈O	1-Octanol	octanol
1664	C₁₀H₈	Azulene	azu
1665	C₁₀H₈	naphthalene	naph
1666	C₁₀H₁₀	bullvalene	bullv
1667	C₁₀H₁₆	adamantane	adamantane
1668	C₆N₄	Tetracyanoethylene	tcne
1669	C₆N₄^-	tetracyanoethylene anion	tcne-
1670	C₁₀H₂₂	Decane	decane
1671	C₄F₆	perfluorobutadiene	c4f6
1672	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1673	C₃F₈	perfluoropropane	c3f8
1674	Fe(CO)₅	Iron pentacarbonyl	ipc
1675	Fe(C₅H₅)₂	ferrocene	fecp2
1676	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1677	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1678	C₁₂H₈	Acenaphthylene	acenaph
1679	C₁₂H₈	biphenylene	biph
1680	C₁₂H₁₀	biphenyl	biphenyl
1681	C₁₂H₁₀	Heptalene	heptalene
1682	C₆H₁₂O₆	Inositol	inositol
1683	C₆F₆	hexafluorobenzene	c6f6
1684	S₂F₁₀	disulphur decafluoride	s2f10
1685	C₁₃H₁₀	Fluorene	fluorene
1686	C₁₄H₁₀	Anthracene	anth
1687	C₁₄H₁₀	Phenanthrene	phenanthrene
1688	C₁₄H₁₄	Bibenzyl	bibenzyl
1689	C₁₂H₁₀N₂	azobenzene	azobenzene
1690	C₆H₅COC₆H₅	benzophenone	benzophenone
1691	C₁₆H₁₀	Pyrene	pyrene
1692	C₁₈H₁₂	Tetracene	tetracene
1693	C₁₉H₁₆	Triphenylmethane	tpm
1694	C₂₄H₁₂	Coronene	coronene
1695	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