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

List of which calculations are completed at ROMP2 /TZVP

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom
6	He⁺	Helium atom cation	²S	K_h
7	HeH⁺	Helium hydride cation	¹Σ	C_∞v
8	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
9	Li	Lithium atom	²S	K_h
10	Na	Sodium atom	²S	K_h
11	K	Potassium atom	²S	K_h
12	LiH⁺	lithium hydride cation	²Σ	C_∞v
13	NaH⁺	sodium hydride cation	²Σ	C_∞v
14	KH	Potassium hydride	¹Σ	C_∞v
15	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
16	Be⁺	Beryllium atom cation	²S	K_h
17	Mg⁺	Magnesium atom cation	²S	K_h
18	BeH	beryllium monohydride	²Σ	C_∞v
19	MgH	magnesium monohydride	²Σ	C_∞v
20	TiH	Titanium monohydride	⁴Φ	C_∞v
21	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
22	BeH₂⁺	Beryllium dihydride cation
23	B	Boron atom	²P	K_h
24	B	Boron atom	⁴P	K_h
25	B⁺	Boron atom cation	¹S	K_h
26	Al	Aluminum atom	²P	K_h
27	Al^-	Aluminum atom anion	³P	K_h
28	Al⁺	Aluminum atom cation	¹S	K_h
29	Sc	Scandium atom	²D	K_h
30	Sc⁺	Scandium cation	³D	K_h
31	Ga	Gallium atom	²P
32	Ga^-	Gallium atom anion	³P	O_h
33	Ga⁺	Gallium atom cation	¹S
34	BH	Boron monohydride	³Π	C_∞v
35	BH^-	boron monohydride anion	⁴Σ	C_∞v
36	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
37	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
38	BH₂^-	boron dihydride anion	³B₁	C_2v
39	BH₃⁺	boron trihydride cation	²B₂	C_2v
40	BH₃⁺	boron trihydride cation		C_2v
41	AlH₃^-	aluminum trihydride anion		C_3v
42	ScH₃	Scandium trihydride	¹A₁	C_3v
43	BH₄	borohydride	²B₂	C_2v
44	BH₄^-	borohydride anion	¹A₁	T_d
45	C	Carbon atom	³P₀	K_h
46	C^-	Carbon atom anion	²D	K_h
47	Si	Silicon atom	³P	K_h
48	Si^-	Silicon atom anion	⁴S	K_h
49	Ge	Germanium atom	³P	K_h
50	Ge^-	Germanium anion	⁴S	K_h
51	CH	Methylidyne	²Π_1/2	C_∞v
52	SiH	Silylidyne	²Π	C_∞v
53	SiH^-	silicon monohydride anion	³Σ	C_∞v
54	GeH	germylidene	²Π	C_∞v
55	CH₂	Methylene	³B₁	C_2v
56	CH₂	Methylene	³Σ_G	D_∞h
57	CH₂^-	methylene anion	²B₁	C_2v
58	CH₂⁺	methylene cation	²A₁	C_2v
59	CH₂⁺	methylene cation	²Π	D_∞h
60	SiH₂	silicon dihydride	³B₁	C_2v
61	GeH₂^-	germylene anion	²B₁	C_2v
62	CH₃	Methyl radical	²A₁	D_3h
63	SiH₃	Silyl radical	²A₁	C_3v
64	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
65	GeH₃	Germyl radical	²A₁	C_3v
66	GeH₃⁺	germyl cation	¹A₁^'	D_3h
67	N	Nitrogen atom	⁴S	K_h
68	N	Nitrogen atom	²D	K_h
69	P	Phosphorus atom	⁴S	K_h
70	V	Vanadium atom	⁴F	K_h
71	V⁺	Vanadium atom cation	⁵D	K_h
72	As	Arsenic atomic	⁴S	K_h
73	As^-	Arsenic anion	³P	K_h
74	PH	phosphorus monohydride	³Σ^-	C_∞v
75	AsH	Arsenic monohydride	³Σ	C_∞v
76	NH₂	Amino radical	²B₁	C_2v
77	NH₂⁺	Amino cation	³B₁	C_2v
78	NH₃^-	Ammonia anion	²A₁	C_3v
79	NH₃⁺	ammonia cation	²A₂^"	D_3h
80	AsH₃⁺	Arsine cation	²A₁	C_3v
81	NH₄	Ammonium radical
82	PH₄	Phosphoranyl radical
83	O	Oxygen atom	³S	K_h
84	S	Sulfur atom	³P	K_h
85	S^-	Sulfur atom anion	²P	K_h
86	S⁺	Sulfur atom cation	⁴S	K_h
87	Se	Selenium atom	³P	K_h
88	Se^-	Selenium atom anion	²P	K_h
89	Se⁺	Selenium atom cation	⁴S	K_h
90	OH	Hydroxyl radical	²Π	C_∞v
91	OH^-	hydroxide anion	¹Σ	C_∞v
92	OH⁺	hydoxyl cation	³Σ	C_∞v
93	HS	Mercapto radical	²Π	C_∞v
94	HS^-	mercapto anion	¹Σ	C_∞v
95	HS⁺	sulfur monohydride cation	³Σ	C_∞v
96	CrH	Chromium hydride	⁶Σ	C_∞v
97	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
98	HSe	Selenium monohydride	²Π	C_∞v
99	HSe⁺	selenium monohydride cation	³Σ	C_∞v
100	H₂O^-	water anion	²A₁	C_2v
101	H₂O^-	water anion	²A^'	C_s
102	H₂O⁺	water cation	²B₁	C_2v
103	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
104	H₂Se	Hydrogen selenide	¹A₁	C_2v
105	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
106	H₃S⁺	Sulfonium cation	¹A₁	C_3v
107	F	Fluorine atom	²P	K_h
108	F^-	Fluorine atom anion	¹S	K_h
109	F⁺	Fluorine atom cation	³S	K_h
110	F⁺	Fluorine atom cation	¹D	K_h
111	Cl	Chlorine atom	²P	K_h
112	Cl⁺	Chlorine atom cation	³P	K_h
113	Cl⁺	Chlorine atom cation	¹D	K_h
114	Br	Bromine atom	²P	K_h
115	Br^-	Bromine atom anion	¹S	K_h
116	Br⁺	Bromine atom cation	³P	K_h
117	HF^-	hydrogen fluoride anion	²Σ	C_∞v
118	HF⁺	hydrogen fluoride cation	²Π	C_∞v
119	HCl^-	hydrogen chloride anion	²Σ	C_∞v
120	HCl⁺	hydrogen chloride cation	²Π	C_∞v
121	HBr^-	hydrogen bromide anion	²Σ	C_∞v
122	HBr⁺	hydrogen bromide cation	²Π	C_∞v
123	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
124	Ne	Neon atom
125	Ne⁺	Neon atom cation	²P	K_h
126	Kr	Krypton atom	¹S	K_h
127	Kr⁺	Krypton cation	²P	K_h
128	NeH	neon hydrogen	²Σ	C_∞v
129	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
130	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
131	NaK⁺	Sodium Potassium diatomic cation		1
132	LiBe	Lithium Beryllium	²Σ	C_∞v
133	LiMg	Lithium magnesium	²Σ	C_∞v
134	NaBe	Sodium Beryllium	²Σ	C_∞v
135	NaMg	Sodium Magnesium	²Σ	C_∞v
136	Be₂	Beryllium diatomic	³Π_g	D_∞h
137	LiB	Lithium boride	³Π	C_∞v
138	NaAl	Sodium aluminum	¹Σ	C_∞v
139	BeB	Beryllium monoboride	²Π	C_∞v
140	B₂	Boron diatomic	³Σ_g	D_∞h
141	BAl	Boron Aluminum	³Σ	C_∞v
142	BGa	Boron Gallium	³Σ	C_∞v
143	AlGa	Aluminum Gallium	³Σ	C_∞v
144	Ga₂	Gallium diatomic	³P_iu
145	HBBH	Diborane(2)	³Σ_G	D_∞h
146	B₂H₆⁺	Diborane cation
147	LiC	Lithium Carbide	⁴Σ	C_∞v
148	BeC	Beryllium Carbide	³Σ^-	C_∞v
149	BeC	Beryllium Carbide
150	CaC	Calcium monocarbide
151	BC	boron monocarbide	⁴Σ^-	C_∞v
152	AlC	Aluminum carbide	⁴Σ	C_∞v
153	BSi	Boron silicide	⁴Σ	C_∞v
154	BSi	Boron silicide	²Σ	C_∞v
155	C₂	Carbon diatomic	³Σ_g^-
156	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
157	SiC	silicon monocarbide	³Σ	C_∞v
158	GeC	Germanium monocarbide	¹Σ	C_∞v
159	SiGe	Silicon Germanium
160	Ge₂	Germanium diatomic	³Σ_g	D_∞h
161	C₂H	Ethynyl radical	²Σ	C_∞v
162	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
163	CCH₂	vinylidene	³B₂	C_2v
164	H₂CC^-	vinylidene anion
165	HCCH^-	acetylene anion
166	HCCH^-	acetylene anion
167	C₂H₃	vinyl	²A^'	C_s
168	C₂H₄⁺	Ethylene cation	²B₃	D₂
169	C₂H₅	Ethyl radical	²A^'	C_s
170	LiN	Lithium Nitride	³Σ	C_∞v
171	LiP	Lithium monophosphide
172	BeN	Beryllium mononitride	⁴Σ	C_∞v
173	BeN	Beryllium mononitride	²Π	C_∞v
174	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
175	MgN	Magnesium Nitride
176	MgN	Magnesium Nitride
177	BP	Boron monophosphide	³Π	C_∞v
178	AlP	Aluminum monophosphide	³Σ	C_∞v
179	AlP	Aluminum monophosphide	³Π	C_∞v
180	GaN	Gallium mononitride	³Π	C_∞v
181	GaP	Gallium monophosphide	³Σ	C_∞v
182	GaAs	Gallium arsenide	³Π
183	GaAs	Gallium arsenide	¹Σ
184	BN	boron nitride	³Π	C_∞v
185	CN	Cyano radical	²Σ	C_∞v
186	SiP	Silicon monophosphide	²Π	C_∞v
187	N₂	Nitrogen diatomic
188	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
189	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
190	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
191	HNC⁺	hydrogen isocyanide cation
192	HCP⁺	Phosphaethyne cation
193	CNH₂	Aminomethylidyne radical	²B₂	C_2v
194	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
195	HCNH	methyleneazane	²A^'	CS cis
196	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
197	CH₂NH⁺	Methanimine cation
198	CHNH₂⁺	Aminocarbene cation
199	N₂H₄⁺	hydrazine cation	²A_G	C_2h
200	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
201	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
202	LiO	lithium oxide	²Σ	C_∞v
203	LiS	Lithium monosulfide	²Π	C_∞v
204	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
205	NaO	sodium monoxide	²Σ	C_∞v
206	KO	Potassium monoxide	²Σ	C_∞v
207	KO⁺	Potassium monoxide cation	³Σ	C_∞v
208	NaS	Sodium sulfide	²Π	C_∞v
209	LiSe	Lithium monoselenide
210	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
211	BO	boron monoxide	²Σ	C_∞v
212	ScO	Scandium monoxide	²Σ	C_∞v
213	GaO	Gallium monoxide	²Σ	C_∞v
214	GaS	Gallium monosulfide
215	CO	Carbon monoxide	³Π	C_∞v
216	CO^-	carbon monoxide anion	²Π	C_∞v
217	CO⁺	carbon monoxide cation	²Σ	C_∞v
218	TiO	Titanium monoxide	³Δ	C_∞v
219	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
220	SiSe⁺	Silicon Monoselenide cation
221	NO	Nitric oxide	²Π	C_∞v
222	NO^-	nitric oxide anion	³Σ	C_∞v
223	NS	Mononitrogen monosulfide	²Π	C_∞v
224	NS^-	nitrogen sulfide anion	³Σ	C_∞v
225	PO	Phosphorus monoxide	²Π	C_∞v
226	PS	phosphorus sulfide	²Σ	C_∞v
227	VO	Vanadium monoxide	⁴Σ^-
228	NSe	Nitrogen monoselenide	²Π	C_∞v
229	AsS	Arsenic monosulfide	²Π	C_∞v
230	PSe	Phosphorus monoselenide	²Π	C_∞v
231	AsSe	Arsenic monoselenide	²Π	C_∞v
232	O₂	Oxygen diatomic	³Σ_g	D_∞h
233	O₂^-	oxygen diatomic anion	²Π	D_∞h
234	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
235	SO	Sulfur monoxide	³Σ	C_∞v
236	SO	Sulfur monoxide	¹Σ	C_∞v
237	SO⁺	sulfur monoxide cation	²Π	C_∞v
238	S₂	Sulfur diatomic	³Σ_g	D_∞h
239	SeO	Selenium monoxide	³Σ	C_∞v
240	Se₂	Selenium diatomic	³Σ_g	D_∞h
241	BeOH	beryllium monohydroxide	²A^'	C_s
242	COH	Hydroxymethylidyne
243	HCO	Formyl radical	²A^'	C_s
244	HCO^-	formyl anion	¹A^'	C_s
245	HCO⁺	Formyl cation	¹Σ	C_∞v
246	HNO	Nitrosyl hydride	¹A^'	C_s
247	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
248	NOH	Hydroxyimidogen	³A^"	C_s
249	NOH⁺	O-protonated nitric oxide	²A^'	C_s
250	HO₂	Hydroperoxy radical	²A^"	C_s
251	HO₂⁺	Hydroperoxy cation	³A^"	C_s
252	SOH	Sulfur Hydroxide
253	SOH⁺	Sulfur Monoxide, protonated
254	HS₂	Thiosulfeno radical	²A^"	C_s
255	H₂CO^-	formaldehyde anion	²A^'	C_s
256	H₂CO^-	formaldehyde anion
257	H₂CO⁺	formaldehyde cation	²B₂	C_2v
258	H₂CS^-	thioformaldehyde anion
259	H₂CS^-	thioformaldehyde anion
260	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
261	H₂NO	nitroxide	²B₁	C_2v
262	H₂NO	nitroxide	²A^'	C_s
263	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
264	CH₂OH	Hydroxymethyl radical	²A	C₁
265	CH₃O⁺	Methoxy cation	³A₁	C_3v
266	NH₂OH⁺	Hydroxylamine cation
267	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
268	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
269	CH₃SH⁺	Methanethiol cation	²A^"	C_s
270	NH₂OH₂⁺	protonated hydroxylamine
271	NH₃OH⁺	N-protonated hydroxylamine
272	NaF⁺	sodium fluoride cation	²Σ	C_∞v
273	LiF⁺	lithium fluoride cation	²Π	C_∞v
274	TiCl	Titanium Monochloride	⁴Σ	C_∞v
275	ZnF	Zinc monofluoride	²Σ	C_∞v
276	CaBr	Calcium monobromide
277	GaF	Gallium monofluoride	¹Σ	C_∞v
278	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
279	GaCl	Gallium monochloride	¹Σ_G	C_∞v
280	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
281	CF	Fluoromethylidyne	²Π	C_∞v
282	SiF	silicon monofluoride	²Π	C_∞v
283	SiF^-	silicon monofluoride anion	³Σ	C_∞v
284	SiCl	Clorosilylidyne	²Π	C_∞v
285	CBr	Carbon monobromide	²Π	C_∞v
286	GeF	Germanium monofluoride	²Π	C_∞v
287	GeCl	Germanium monochloride	²Π	C_∞v
288	SiBr	Silicon monobromide	²Π	C_∞v
289	SiBr⁺	Silicon monobromide cation
290	NCl	nitrogen monochloride	³Σ	C_∞v
291	AsF	Arsenic monofluoride	³Σ	C_∞v
292	NBr	nitrogen monobromide	³Σ^-	C_∞v
293	AsCl	Arsenic monochloride	³Σ	C_∞v
294	PBr	Phosphorus monobromide
295	FO	Oxygen monofluoride	²Π	C_∞v
296	ClO	Monochlorine monoxide	²Π	C_∞v
297	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
298	SF	Monosulfur monofluoride	²Π	C_∞v
299	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
300	SCl	sulfur monochloride	²Π	C_∞v
301	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
302	BrO	Bromine monoxide	²Π	C_∞v
303	BrO⁺	Bromine monoxide cation
304	SeF	Selenium monofluoride	²Π	C_∞v
305	SBr	Sulfur monobromide radical
306	SBr⁺	Sulfur monobromide cation
307	SeCl	Selenium monochloride	²Π	C_∞v
308	SeBr	Selenium monobromide
309	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
310	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
311	ClF⁺	clorine monofluoride cation	²Π	C_∞v
312	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
313	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
314	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
315	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
316	HCF	Fluoromethylene	³A^"	C_s
317	HCCl	Chloromethylene	³A^"	C_s
318	CHBr	bromomethylene	³A^"	C_s
319	HOCl⁺	hypochlorous acid cation
320	HOBr⁺	Hypobromous acid cation	²A^"	C_s
321	CH₂Br	bromomethyl radical	²A^'	C_s
322	CH₂Br	bromomethyl radical
323	CH₂F	fluoromethyl radical	²A	C_s
324	CH₂Cl	chloromethyl radical	²B₁	C_2v
325	CH₃F⁺	methyl fluoride cation
326	CH₃Cl⁺	Methyl chloride cation
327	CH₃Br	methyl bromide	¹A₁	C_3v
328	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
329	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
330	Li₃	Lithium trimer	²B₂	C_2v
331	C₃	carbon trimer	¹A₁	C_2v
332	C₃H₃	cyclopropenyl radical	²A^'	C_s
333	CH₃CHCH	1-propenyl radical	²A^'	C_s
334	C₃H₇	n-Propyl radical	²A^"	C₁
335	CH₃CHCH₃	Isopropyl radical	²A	C₂
336	LiCN	lithium cyanide	¹Σ	C*V LiCN
337	KCN	Potassium cyanide	¹Σ	C_∞v
338	ZnCN	Zinc monocyanide	²Σ	C_∞v
339	ZnNC	Zinc isocyanide	²Σ	C_∞v
340	CNN	Diazocarbene
341	NCN	Cyanoimidogen	³Σ_g	D_∞h
342	N₃	azide radical	²Π_g	D_∞h
343	N₃⁺	azide cation	³Σ_g	D_∞h
344	N₃⁺	azide cation	³Σ	C_∞v
345	HCCN	cyanomethylene	³A^"	C_s
346	HCCN	cyanomethylene
347	HN₃	hydrogen azide	¹A^'	C_s
348	HN₃⁺	Hydrazoic acid cation
349	CH₃CN^-	acetonitrile anion	²E	C_3v
350	CH₃CN^-	acetonitrile anion	²A^'	C_s
351	HCNCH₂⁺	2H-Azirine cation
352	CH₂CHNH	vinylazine	²A^"	CS cis
353	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
354	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
355	LiO₂	Lithium dioxide
356	NaO₂	Sodium superoxide
357	CCO	Dicarbon monoxide	³Σ	C_∞v
358	NCO	isocyanato radical	²Π	C_∞v
359	N₂O^-	Nitrous oxide anion	²A^'	C_s
360	CS₂^-	Carbon disulfide anion	²A₁	C_2v
361	NO₂	Nitrogen dioxide	²A₁	C_2v
362	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
363	NSO	sulfinyl amidogen
364	SNO	Nitrogen oxide sulfide
365	AsO₂	Aresenic dioxide	²A₁	C_2v
366	SO₂	Sulfur dioxide	¹A₁	C_2v
367	S₃^-	Sulfur trimer anion	²B₁	C_2v
368	S₃⁺	Sulfur trimer cation	²B₂	C_2v
369	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
370	HCCO	ketenyl radical	²Π	C_∞v
371	HCCO	ketenyl radical	²A^"	C_s
372	HCOO	formate neutral radical	²A^'	C_s
373	HOCO	Hydrocarboxyl radical	¹A^'	cis
374	HOCO	Hydrocarboxyl radical	¹A^'	trans
375	Be(OH)₂	Beryllium hydroxide
376	C₂H₄O⁺	ethylene oxide cation
377	CH₃CHO⁺	acetaldehyde cation
378	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
379	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
380	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
381	CH₃SCH₃⁺	dimethyl sulfide cation
382	CuF₂	Copper difluoride	²Π_g	D_∞h
383	FCO	Carbonyl fluoride	²A^'	C_s
384	ClCO	carbonyl monochloride	²A^'	C_s
385	BF₂	Boron difluoride radical	²A₁	C_2v
386	SiF₂	Silicon difluoride	³B₁	C_2v
387	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
388	CBr₂	dibromomethylene	³B₁	C_2v
389	FOO⁺	Fluorine dioxide cation
390	OClO	Chlorine dioxide	²B₁	D_∞h
391	OClO^-	Chlorine dioxide anion	¹A^'	C_s
392	ClSO	Sulfur chloride oxide	²A^"	C_s
393	BrOO	Bromine dioxide
394	OBrO	Bromine dioxide radical	²B₁	C_2v
395	PF₂	Phosphorus difluoride
396	SF₂^-	sulfur difluoride anion	²A^'	C_s
397	HFCO⁺	formyl fluoride cation	²A^'	C_s
398	CHCl₂	dichloromethyl radical	²B₁	C_2v
399	CHCl₂	dichloromethyl radical	²A^'	C_s
400	CHF₂	difluoromethyl radical	²A	C_s
401	CHFCl	Chlorofluoromethyl radical
402	CHBr₂	dibromomethyl radical
403	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
404	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
405	CHClCH₃	1-chloroethyl radical	²A	C₁
406	C₄	Carbon tetramer	³Σ_g	D_∞h
407	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
408	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
409	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
410	C₂H₂O₂	Ethanedial	¹A_g	C_2h
411	CH₃COCH₂	Acetonyl radical	²A^"	C_s
412	CH₃COCH₃^-	acetone anion	²A^'	C_s
413	ClONO	chlorine nitrite	¹A^'	CS cis
414	CF₂O⁺	Carbonic difluoride cation
415	BF₃⁺	boron trifluoride cation
416	BCl₃⁺	Boron Trichloride cation
417	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
418	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
419	CF₂Cl	difluorochloromethyl radical
420	SiF₃	Silicon trifluoride radical	²A₁	C_3v
421	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
422	CFCl₂	dichlorofluoromethyl radical
423	CBr₃	tribromomethyl radical
424	NF₃	Nitrogen trifluoride	¹A₁	C_3v
425	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
426	SF₃	Sulfur trifluoride	²A^'	C_s
427	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
428	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
429	C₄H₄N	pyrrolide radical	²A₂	C_2v
430	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
431	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
432	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
433	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
434	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	He^-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li^-	Lithium atom anion	li-
13	Li⁺	Lithium atom cation	li+
14	Na^-	Sodium atom anion	na-
15	Na⁺	Sodium atom cation	na+
16	K^-	Potassium atom anion	k-
17	K⁺	Potassium atom cation	k+
18	Cu	Copper atom	cu
19	Cu^-	Copper atom anion	cu-
20	Cu⁺	Copper atom cation	cu+
21	LiH	Lithium Hydride	lih
22	LiH^-	lithium hydride anion	lih-
23	NaH	sodium hydride	nah
24	NaH^-	sodium hydride anion	nah-
25	CuH	Copper monohydride	cuh
26	Be	Beryllium atom	be
27	Be^-	Beryllium atom anion	be-
28	Mg	Magnesium atom	mg
29	Mg^-	Magnesium atom anion	mg-
30	Ca	Calcium atom	ca
31	Ca^-	Calcium atom anion	ca-
32	Ca⁺	Calcium atom cation	ca+
33	Zn	Zinc atom	zn
34	Zn^-	Zinc atom anion	zn-
35	Zn⁺	Zinc atom cation	zn+
36	BeH^-	berylium monohydride anion	beh-
37	BeH⁺	beryllium monohydride cation	beh+
38	MgH^-	magnesium monohydride anion	mgh-
39	MgH⁺	magnesium monohydride cation	mgh+
40	CaH	Calcium monohydride	cah
41	CaH⁺	Calcium monohydride cation	cah+
42	ZnH	Zinc monohydride	znh
43	ZnH⁺	Zinc, protonated	znh+
44	BeH₂	beryllium dihydride	beh2
45	MgH₂	magnesium dihydride	mgh2
46	CaH₂	Calcium Hydride	cah2
47	ZnH₂	Zinc hydride	znh2
48	B^-	Boron atom anion	b-
49	BH	Boron monohydride	bh
50	BH^-	boron monohydride anion	bh-
51	BH⁺	boron monohydride cation	bh+
52	AlH	aluminum monohydride	alh
53	AlH^-	aluminum monohydride anion	alh-
54	AlH⁺	aluminum monohydride cation	alh+
55	ScH	Scandium monohydride	sch
56	GaH	Gallium monohydride	gah
57	BH₂	boron dihydride	bh2
58	BH₂⁺	Boron dihydride cation	bh2+
59	AlH₂	aluminum dihydride	alh2
60	AlH₂^-	aluminum dihydride anion	alh2-
61	AlH₂⁺	aluminum dihydride cation	alh2+
62	BH₃	boron trihydride	bh3
63	BH₃^-	boron trihydride anion	bh3-
64	AlH₃	aluminum trihydride	alh3
65	AlH₃⁺	aluminum trihydride cation	alh3+
66	GaH₃	Gallium trihydride	gah3
67	AlH₄^-	Aluminum tetrahydride anion	alh4-
68	C^-	Carbon atom anion	c-
69	C⁺	Carbon atom cation	c+
70	Si⁺	Silicon atom cation	si+
71	Ti	Titanium atom	ti
72	Ti^-	Titanium atom anion	ti-
73	Ti⁺	Titanium atom cation	ti+
74	Ge⁺	Germanium cation	ge+
75	Sn	Tin atom	sn
76	Sn⁺	Tin cation	sn+
77	CH^-	methylidyne anion	ch-
78	CH⁺	Methylidyne cation	ch+
79	SiH⁺	silicon monohydride cation	sih+
80	GeH⁺	Germaniun monohyrdide cation	geh+
81	SiH₂	silicon dihydride	sih2
82	SiH₂^-	silicon dihydride anion	sih2-
83	SiH₂⁺	silicon dihydride cation	sih2+
84	GeH₂	germylene	geh2
85	CH₃^-	methyl anion	ch3-
86	CH₃⁺	methyl cation	ch3+
87	SiH₃^-	Silyl anion	sih3-
88	CD₄	methane-d4	cd4
89	CH₂D₂	methane-d2	ch2d2
90	CH₃D	methane-d	ch3d
91	CH₄	Methane	ch4
92	CH₄^-	Methane anion	ch4-
93	CH₄⁺	Methane cation	ch4+
94	CHD₃	methane-d3	chd3
95	SiH₂D₂	silane-d2	sih2d2
96	SiH₄	Silane	sih4
97	SiH₄⁺	Silane cation	sih4+
98	GeH₄	Germane	geh4
99	SnH₄	Stannane	snh4
100	SiH₅⁺	Silane, protonated	sih5+
101	N^-	Nitrogen atom anion	n-
102	N⁺	Nitrogen atom cation	n+
103	P^-	Phosphorus atom anion	p-
104	P⁺	Phosphorus atom cation	p+
105	As⁺	Arsenic cation	as+
106	Sb	Antimony atom	sb
107	NH	Imidogen	nh
108	NH^-	Imidogen anion	nh-
109	NH⁺	imidogen cation	nh+
110	PH^-	phosphorus monohydride anion	ph-
111	PH⁺	phosphorus monohydride cation	ph+
112	AsH⁺	Arsenic monohydride cation	ash+
113	SbH	Antimony monohydride	sbh
114	ND₂	Amidogen-d2	nd2
115	NH₂^-	amino anion	nh2-
116	PH₂	Phosphino radical	ph2
117	PH₂^-	Phosphino anion	ph2-
118	PH₂⁺	Phosphino cation	ph2+
119	AsH₂	Arsenic dihydride	ash2
120	AsH₂⁺	Arsenic dihydride cation	ash2+
121	ND₃	Ammonia-d3	nd3
122	NH₃	Ammonia	nh3
123	PH₃	Phosphine	ph3
124	PH₃⁺	Phosphine cation	ph3+
125	AsH₃	Arsine	ash3
126	SbH₃	Stibine	sbh3
127	AsH₄⁺	Arsonium	ash4+
128	NH₄⁺	ammonium cation	nh4+
129	PH₄⁺	phosphonium cation	ph4+
130	O^-	Oxygen atom anion	o-
131	O⁺	Oxygen atom cation	o+
132	Cr	Chromium atom	cr
133	Te	Tellurium atom	te
134	Te⁺	Tellurium atom cation	te+
135	DO	Hydroxyl-d	od
136	DS	Mercapto-d	ds
137	HSe^-	selenium monohydride anion	hse-
138	TeH	Telluryl radical	teh
139	D₂O	Deuterium oxide	d2o
140	H₂O	Water	h2o
141	HDO	Water-d1	hdo
142	D₂S	Hydrogen sulfide-d2	d2s
143	H₂S	Hydrogen sulfide	h2s
144	H₂S^-	Hydrogen sulfide anion	h2s-
145	H₂Te	Hydrogen Telluride	h2te
146	H₃O⁺	hydronium cation	h3o+
147	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
148	Cl^-	Chlorine atom anion	cl-
149	Mn	Manganese atom	mn
150	I	Iodine atom	iodine
151	I^-	Iodine atom anion	iodine-
152	I⁺	Iodine atom cation	iodine+
153	DF	Hydrofluoric acid-d	df
154	HF	Hydrogen fluoride	hf
155	DCl	Hydrochloric acid-d	dcl
156	HCl	Hydrogen chloride	hcl
157	HBr	hydrogen bromide	hbr
158	HI	Hydrogen iodide	hi
159	HI⁺	Hydrogen iodide cation	hi+
160	H₂F⁺	dihydrogen fluoride cation	h2f+
161	H₂Br⁺	protonated hydrogen bromide	h2br+
162	H₂I⁺	Iodonium	h2i+
163	Ne	Neon atom	ne
164	Ne^-	Neon atom anion	ne-
165	Ar	Argon atom	ar
166	Ar^-	Argon atom anion	ar-
167	Ar⁺	Argon atom cation	ar+
168	Fe	Iron atom	fe
169	Xe	Xenon atom	xe
170	HeLi⁺	Helium Lithium cation	heli+
171	NeH⁺	neon hydrogen cation	neh+
172	ArH⁺	Argon hydride cation	arh+
173	KrH⁺	Protonated Krypton	krh+
174	XeH⁺	Xenon, protonated	xeh+
175	H₂Ar	H2 Ar dimer	h2ar
176	Co	Cobalt atom	cobalt
177	Ni	Nickel atom	ni
178	Li₂	Lithium diatomic	li2
179	Li₂^-	lithium diatomic anion	li2-
180	Li₂⁺	lithium diatomic cation	li2+
181	NaLi	lithium sodium	lina
182	NaLi^-	lithium sodium anion	lina-
183	NaLi⁺	lithium sodium cation	lina+
184	LiK	Lithium Potassium	lik
185	Na₂	Sodium diatomic	na2
186	NaK	Sodium Potassium	nak
187	K₂	Potassium diatomic	k2
188	Cu₂	Copper diatomic	cu2
189	Be₂	Beryllium diatomic	be2
190	Be₂^-	Beryllium diatomic anion	be2-
191	Be₂⁺	Beryllium diatomic cation	be2+
192	BeMg	Beryllium Magnesium	bemg
193	Mg₂	Magnesium diatomic	mg2
194	Mg₂^-	magnesium diatomic anion	mg2-
195	Mg₂⁺	magnesium diatomic cation	mg2+
196	Ca₂	Calcium diatomic	ca2
197	LiAl	Lithium Aluminum	lial
198	B₂^-	Boron diatomic anion	b2-
199	B₂⁺	Boron diatomic cation	b2+
200	Al₂	Aluminum diatomic	al2
201	Al₂^-	aluminum diatomic anion	al2-
202	Al₂⁺	aluminum diatomic cation	al2+
203	LiBH₄	Lithium borohydride	libh4
204	B₂H₄	Diborane(4) D2d	b2h4
205	HBHHBH	Diborane(4) C2V	hbhhbh
206	B₂H₆	Diborane	b2h6
207	Al₂H₆	dialane	al2h6
208	Ga₂H₆	digallane	ga2h6
209	BC^-	boron monocarbide anion	bc-
210	BC⁺	boron monocarbide cation	bc+
211	C₂	Carbon diatomic	c2
212	C₂^-	carbon diatomic anion	c2-
213	SiC^-	silicon monocarbide anion	sic-
214	SiC⁺	silicon monocarbide cation	sic+
215	Si₂	Silicon diatomic	si2
216	Si₂^-	silcon diatomic anion	si2-
217	Si₂⁺	silcon diatomic cation	si2+
218	C₂H^-	Ethynyl anion	c2h-
219	C₂H⁺	Ethynyl cation	c2h+
220	ZnCH₂	Zinc methylene	znch2
221	C₂H₂	Acetylene	c2h2
222	CCH₂	vinylidene	vinylidene
223	Si₂H₂	disilyne	si2h2
224	CH₃Li	methyl lithium	ch3li
225	CuCH₃	monomethyl copper	cuch3
226	ZnCH₃	Zinc monomethyl	znch3
227	CH₂BH	methyleneborane	ch2bh
228	C₂H₃^-	vinyl anion	c2h3-
229	C₂H₃⁺	vinyl cation	c2h3+
230	C₂H₄	Ethylene	c2h4
231	C₂H₄^-	Ethylene anion	c2h4-
232	CH₃CH	methylmethylene	ch3ch
233	CH₂SiH₂	silaethylene	ch2sih2
234	Si₂H₄	Disilene	si2h4
235	CH₃BH₂	methylborane	ch3bh2
236	C₂H₅^-	Ethyl anion	c2h5-
237	C₂H₅⁺	Ethyl cation	c2h5+
238	C₂H₆	Ethane	c2h6
239	C₂H₆⁺	ethane cation	c2h6+
240	CH₃SiH₃	methyl silane	ch3sih3
241	Si₂H₆	disilane	si2h6
242	GeH₃CH₃	methyl germane	geh3ch3
243	C₂H₇⁺	Ethane, protonated	c2h7+
244	LiN⁺	Lithium Nitride cation	lin+
245	BeN^-	Beryllium mononitride anion	ben-
246	BeN⁺	Beryllium mononitride cation	ben+
247	BN^-	boron nitride anion	bn-
248	AlN^-	aluminum mononitride anion	aln-
249	AlN⁺	aluminum mononitride cation	aln+
250	BN⁺	boron nitride cation	bn+
251	AlN	Aluminum nitride	aln
252	CN^-	cyanide anion	cn-
253	CN⁺	Cyano cation	cn+
254	CP	Carbon monophosphide	cp
255	CP^-	carbon monophosphide anion	cp-
256	CP⁺	carbon monophosphide cation	cp+
257	SiN	Silicon nitride	sin
258	SiN^-	silicon mononitride anion	sin-
259	SiN⁺	silicon mononitride cation	sin+
260	SiP^-	Silicon monophosphide anion	sip-
261	SiP⁺	Silicon monophosphide cation	sip+
262	TiN	Titanium mononitride	tin
263	N₂	Nitrogen diatomic	n2
264	PN	Phosphorus mononitride	pn
265	PN^-	phosphorus nitride anion	pn-
266	PN⁺	phosphorus nitride cation	pn+
267	P₂	Phosphorus diatomic	p2
268	P₂^-	phosphorus diatomic anion	p2-
269	P₂⁺	phosphorus diatomic cation	p2+
270	AsN	Arsenic mononitride	asn
271	AsP	Arsenic monophosphide	asp
272	SbN	Antimony nitride	sbn
273	As₂	Arsenic diatomic	as2
274	HNB	hydrogen nitrogen boron	hnb
275	HNC	hydrogen isocyanide	hnc
276	HCN	Hydrogen cyanide	hcn
277	HCN^-	Hydrogen cyanide anion	hcn-
278	HCP	Phosphaethyne	hcp
279	NNH	Dinitrogen monohydride	nnh
280	NNH⁺	Dinitrogen monohydride cation	nnh+
281	HPO	Hydrogen phosphorus oxide	hpo
282	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
283	LiNH₂	lithium amide	linh2
284	HBNH	Boranimine	hbnh
285	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
286	H₂CN⁺	hydrocyanonium cation	h2cn+
287	HCNH⁺	N-protonated HCN	hcnh+
288	H₂NN	Isodiazene	h2nn
289	N₂H₂	(E)-diazene	n2h2
290	N₂H₂	(Z)-Diazene	n2h2z
291	CH₂NH	Methanimine	ch3n
292	CHNH₂	aminomethylene	chnh2
293	CH₂PH	Phosphaethene	ch3p
294	BH₂NH₂	Boranamine	bh2nh2
295	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
296	N₂H₄	Hydrazine	n2h4
297	P₂H₄	Diphosphine	p2h4
298	CH₃NH₂	methyl amine	ch3nh2
299	CH₃PH₂	Methyl phosphine	ch3ph2
300	SiH₃NH₂	Silane, amino	sih3nh2
301	N₂H₅⁺	protonated hydrazine	n2h5+
302	BH₃PH₃	borane phosphine	bh3ph3
303	BH₃NH₃	borane ammonia	bh3nh3
304	CH₃NH₃⁺	protonated methylamine	ch3nh3+
305	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
306	NH₃NH₃	Ammonia Dimer	nh3nh3
307	N₂H₇⁺	ammonia ammonium dimer	n2h7+
308	LiO^-	lithium oxide anion	lio-
309	LiO⁺	lithium oxide cation	lio+
310	NaO^-	sodium oxide anion	nao-
311	NaO⁺	sodium oxide cation	nao+
312	CuO	Copper Monoxide	cuo
313	BeO	beryllium oxide	beo
314	BeO^-	Beryllium monoxide anion	beo-
315	BeS	beryllium sulfide	bes
316	MgO	magnesium oxide	mgo
317	MgO^-	magnesium oxide anion	mgo-
318	MgO⁺	magnesium oxide cation	mgo+
319	CaO	Calcium monoxide	cao
320	MgS	magnesium sulfide	mgs
321	MgS^-	magnesium sulfide anion	mgs-
322	MgS⁺	magnesium sulfide cation	mgs+
323	CaS	Calcium sulfide	cas
324	ZnO	zinc monoxide	zno
325	ZnS	Zinc sulfide	zns
326	BeS^-	Beryllium monosulfide anion	bes-
327	BeS⁺	Beryllium monosulfide cation	bes+
328	BO^-	boron monoxide anion	bo-
329	AlO	Aluminum monoxide	alo
330	AlO^-	Aluminum monoxide anion	alo-
331	AlO⁺	aluminum monoxide cation	alo+
332	BS	boron sulfide	bs
333	BS^-	boron monosulfide anion	bs-
334	BS⁺	boron monosulfide cation	bs+
335	AlS	Aluminum sulfide	als
336	AlS^-	aluminum monosulfide anion	als-
337	AlS⁺	aluminum monosulfide cation	als+
338	BO⁺	boron monoxide cation	bo+
339	CO	Carbon monoxide	co
340	CS	carbon monosulfide	cs
341	CS^-	carbon monosulfide anion	cs-
342	CS⁺	carbon monosulfide cation	cs+
343	SiO	Silicon monoxide	sio
344	SiO^-	silicon monoxide anion	sio-
345	SiO⁺	silicon monoxide cation	sio+
346	SiS	silicon monosulfide	sis
347	SiS^-	silicon monosulfide anion	sis-
348	SiS⁺	silicon monosulfide cation	sis+
349	CSe	Carbon monoselenide	cse
350	CSe^-	Carbon monoselenide anion	cse-
351	CSe⁺	Carbon monoselenide cation	cse+
352	GeO	Germanium monoxide	geo
353	GeS	Germanium monosulfide	ges
354	SiSe	Silicon Monoselenide	sise
355	GeSe	Germanium monoselenide	gese
356	NO⁺	nitric oxide cation	no+
357	NS⁺	nitrogen sulfide cation	ns+
358	PO^-	phosphorus monoxide anion	po-
359	PO⁺	phosphorus monoxide cation	po+
360	PS^-	phosphorus monosulfide anion	ps-
361	PS⁺	phosphorus monosulfide cation	ps+
362	AsO	Arsenic monoxide	aso
363	O₂^--	dioxygen dianion	o2--
364	SO^-	sulfur monoxide anion	so-
365	S₂^-	sulfur diatomic anion	s2-
366	S₂⁺	sulfur diatomic cation	s2+
367	SeO^-	selenium monoxide anion	seo-
368	SeO⁺	selenium monoxide cation	seo+
369	SeS	Selenium monosulfide	ses
370	SeS^-	selenium monosulfide anion	ses-
371	SeS⁺	selenium monosulfide cation	ses+
372	TeO	Tellurium monoxide	teo
373	Se₂^-	selenium diatomic anion	se2-
374	Se₂⁺	selenium diatomic cation	se2+
375	Te₂	Tellurium diatomic	te2
376	LiOH	lithium hydroxide	lioh
377	NaOH	sodium hydroxide	naoh
378	KOH	Potassium hydroxide	koh
379	MgOH	magnesium hydroxide	mgoh
380	CaOH	Calcium monohydroxide	caoh
381	HBO	Boron hydride oxide	hbo
382	HBS	hydrogen boron sulfide	hbs
383	COH⁺	Carbon Monoxide, protonated	coh+
384	HCS	Thioformyl radical	hcs
385	HCS^-	Thioformyl anion	hcs-
386	HCS⁺	Thioformyl cation	hcs+
387	HNO^-	Nitrosyl hydride anion	hno-
388	HNS	Sulfur imide	hns
389	HNS^-	Sulfur imide anion	hns-
390	HO₂^-	Hydroperoxy anion	ho2-
391	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
392	H₂CO	Formaldehyde	h2co
393	HOCH	hydroxycarbene	hoch
394	H₂CS	Thioformaldehyde	h2cs
395	H₂CSe	Selenoformaldehyde	h2cse
396	H₂O₂	Hydrogen peroxide	h2o2
397	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
398	H₂OO	water oxide	h2oo
399	HOSH	hydrogen thioperoxide	hosh
400	H₂S₂	Disulfane	h2s2
401	H₂Se₂	hydrogen diselenide	h2se2
402	CH₂OH⁺	hydroxymethyl cation	ch2oh+
403	CH₃O	Methoxy radical	ch3o
404	CH₃O^-	methoxy anion	ch3o-
405	CH₃S	thiomethoxy	ch3s
406	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
407	NH₂OH	hydroxylamine	nh2oh
408	NH₃O	Ammonia Oxide	nh3o
409	H₂POH	Phosphinous acid	h2poh
410	H₃PO	Phosphine oxide	h3po
411	NH₂SH	Thiohydroxylamine	nh2sh
412	NH₃S	sulfidoazane	nh3s
413	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
414	CH₃OH	Methyl alcohol	ch3oh
415	CH₃SH	Methanethiol	ch3sh
416	SiH₃OH	silanol	sih3oh
417	CH₃SeH	Methane selenol	ch3seh
418	H₂OH₂O	water dimer	h2oh2o
419	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
420	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
421	H₂ONH₃	Water Ammonia Dimer	h2onh3
422	H₅O₂⁺	Dihydroxonium ion	h5o2+
423	LiF	lithium fluoride	lif
424	LiCl	lithium chloride	licl
425	LiCl^-	lithium chloride anion	licl-
426	LiCl⁺	lithium chloride cation	licl+
427	NaF	sodium fluoride	naf
428	NaF^-	sodium fluoride anion	naf-
429	KF	Potassium Fluoride	kf
430	NaCl	Sodium Chloride	nacl
431	NaCl^-	sodium chloride anion	nacl-
432	NaCl⁺	sodium chloride cation	nacl+
433	KCl	Potassium Chloride	kcl
434	CuF	Copper monofluoride	cuf
435	LiBr	Lithium Bromide	libr
436	LiBr^-	lithium bromide anion	libr-
437	LiBr⁺	lithium bromide cation	libr+
438	CuCl	Copper monochloride	cucl
439	NaBr	Sodium Bromide	nabr
440	NaBr^-	sodium bromide anion	nabr-
441	NaBr⁺	sodium bromide cation	nabr+
442	KBr	Potassium Bromide	kbr
443	LiI	Lithium Iodide	lii
444	NaI	Sodium Iodide	nai
445	KI	Potassium Iodide	ki
446	LiF^-	lithium fluoride anion	lif-
447	BeF	Beryllium monofluoride	bef
448	BeF^-	Beryllium monofluoride anion	bef-
449	BeF⁺	Beryllium monofluoride cation	bef+
450	BeCl	beryllium monochloride	becl
451	MgF	Magnesium monofluoride	mgf
452	MgF^-	magnesium fluoride anion	mgf-
453	MgF⁺	magnesium fluoride cation	mgf+
454	CaF	Calcium monofluoride	caf
455	MgCl	magnesium monochloride	mgcl
456	MgCl^-	magnesium monochloride anion	mgcl-
457	MgCl⁺	magnesium monochloride cation	mgcl+
458	CaCl	calcium monochloride	cacl
459	ZnF^-	Zinc monofluoride anion	znf-
460	ZnF⁺	Zinc monofluoride cation	znf+
461	ZnCl	Zinc monochloride	zncl
462	BeCl^-	beryllium monochloride anion	becl-
463	BeCl⁺	beryllium monochloride cation	becl+
464	BF	Boron monofluoride	bf
465	BF^-	Boron monofluoride anion	bf-
466	BF⁺	Boron monofluoride cation	bf+
467	AlF	Aluminum monofluoride	alf
468	AlF^-	Aluminum monofluoride anion	alf-
469	AlF⁺	Aluminum monofluoride cation	alf+
470	BCl	boron monochloride	bcl
471	BCl^-	boron monochloride anion	bcl-
472	BCl⁺	boron monochloride cation	bcl+
473	AlCl	Aluminum monochloride	alcl
474	AlCl^-	aluminum monochloride anion	alcl-
475	AlCl⁺	aluminum monochloride cation	alcl+
476	ScF	Scandium monofluoride	scf
477	BBr	Boron monobromide	bbr
478	AlBr	Aluminum monobromide	albr
479	AlI	Aluminum monoiodide	ali
480	GaBr	Gallium monobromide	gabr
481	CF^-	carbon monofluoride anion	cf-
482	CF⁺	carbon monofluoride cation	cf+
483	CCl	carbon monochloride	ccl
484	CCl^-	carbon monochloride anion	ccl-
485	CCl⁺	carbon monochloride cation	ccl+
486	SiF⁺	silicon monofluoride cation	sif+
487	SiCl^-	silicon monochloride anion	sicl-
488	SiCl⁺	silicon monochloride cation	sicl+
489	GeF⁺	Germanium monofluoride cation	gef+
490	GeCl⁺	Germanium monochloride cation	gecl+
491	NF	nitrogen fluoride	nf
492	NF^-	nitrogen monofluorine anion	nf-
493	NF⁺	nitrogen monofluoirde cation	nf+
494	NCl^-	nitrogen monochloride anion	ncl-
495	NCl⁺	nitrogen monochloride cation	ncl+
496	PF	phosphorus monofluoride	pf
497	PF^-	phosphorus monofluoride anion	pf-
498	PF⁺	phosphorus monofluoride cation	pf+
499	PCl	phosphorus chloride	pcl
500	PCl^-	phosphorus monochloride anion	pcl-
501	PCl⁺	phosphorus monochloride cation	pcl+
502	SbF	Antimony monofluoride	sbf
503	SbCl	Antimony monochloride	sbcl
504	FO^-	flourine oxide anion	fo-
505	FO⁺	fluorine monoxide cation	fo+
506	ClO^-	chlorine monoxide anion	clo-
507	SF^-	sulfur monofluoride anion	sf-
508	SCl^-	sulfur monochloride anion	scl-
509	BrO^-	Bromine monoxide anion	bro-
510	IO	Iodine monoxide	io
511	BrCl	Bromine monochloride	brcl
512	F₂	Fluorine diatomic	f2
513	ClF	Chlorine monofluoride	clf
514	ClF^-	clorine monofluoride anion	clf-
515	Cl₂	Chlorine diatomic	cl2
516	BrF	Bromine monofluoride	brf
517	BrF^-	bromine fluoride anion	brf-
518	BrF⁺	bromine fluoride cation	brf+
519	BrCl^-	bromine chloride anion	brcl-
520	BrCl⁺	bromine chloride cation	brcl+
521	IF	Iodine monofluoride	if
522	Br₂	Bromine diatomic	br2
523	ICl	Iodine monochloride	icl
524	IBr	Iodine monobromide	ibr
525	I₂	Iodine diatomic	i2
526	I₂⁺	Iodine diatomic cation	i2+
527	HCF	Fluoromethylene	hcf
528	HCCl	Chloromethylene	hccl
529	HSiF	fluorosilylene	hsif
530	HSiCl	Chlorosilylene	hsicl
531	HSiBr	monobromosilylene	hsibr
532	CHBr	bromomethylene	chbr
533	HOF	Hypofluorous acid	hfo
534	DOCl	Hypochlorous acid-d	docl
535	HOCl	hypochlorous acid	hocl
536	HOBr	Hypobromous acid	hobr
537	HOI	Hypoiodous acid	hoi
538	F₂H⁺	Fluorine, protonated	f2h+
539	FHF	Hydrogen difluoride	fhf
540	FHF^-	Hydrogen difluoride anion	fhf-
541	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
542	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
543	Cl₂H⁺	Chlorine, protonated	cl2h+
544	CH₂F⁺	fluoromethyl cation	ch2f+
545	CH₂Cl⁺	chloromethyl cation	ch2cl+
546	NH₂F	monofluoroamine	nh2f
547	NH₂Cl	chloramine	nh2cl
548	H₂F₂	Hydrogen fluoride dimer	h2f2
549	CD₃F	methylfluoride-d3	cd3f
550	CH₃F	Methyl fluoride	ch3f
551	CD₃Cl	methyl chloride d3	cd3cl
552	CH₃Cl	Methyl chloride	ch3cl
553	SiH₃F	monofluorosilane	sih3f
554	SiH₃Cl	chlorosilane	sih3cl
555	GeH₃F	monofluorogermane	geh3f
556	GeH₃Cl	monochlorogermane	geh3cl
557	SiH₃Br	bromosilane	sih3br
558	CH₃I	methyl iodide	ch3i
559	SiH₃I	Silyl Iodide	sih3i
560	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
561	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
562	NH₄Cl	Ammonium chloride	nh4cl
563	LiNe⁺	Lithium Neon cation	line+
564	Ne₂	Neon diatomic	ne2
565	Ar₂	Argon diatomic	ar2
566	Li₃⁺	Lithium trimer cation	li3+
567	C₃⁺	carbon trimer cation	c3+
568	SiC₂	Silicon dicarbide	sic2
569	C₃H₃	Propargyl radical	propargyl
570	C₃H₃^-	Propargyl anion	c3h3-
571	C₃H₃⁺	cyclopropenyl cation	cpr+
572	C₃H₃⁺	Propargyl cation	c3h3+
573	C₃H₄	cyclopropene	cprop
574	CH₂CCH₂	allene	allene
575	CH₃CCH	propyne	propyne
576	C₃H₅	Allyl radical	allyl
577	C₃H₅⁺	Allyl cation	allyl+
578	Zn(CH₃)₂	dimethyl zinc	dmz
579	C₃H₆	Cyclopropane	c3h6
580	CH₂CHCH₃	Propene	propene
581	C₃H₇⁺	cyclopropane, protonated	c3h7+
582	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
583	C₃H₈	Propane	propane
584	SiH₂(CH₃)₂	dimethylsilane	dms
585	Si₃H₈	trisilane	si3h8
586	NaCN	Sodium Cyanide	nacn
587	CuCN	Copper cyanide	cucn
588	AlCN	Aluminum monocyanide	alcn
589	AlNC	Aluminum isocyanide	alnc
590	CN₂	3H-Diazirin-3-ylidene	cn2
591	N₃^-	azide anion	n3-
592	HCNN	diazomethyl radical	hcnn
593	HNCNH	diiminomethane	hncnh
594	CH₂N₂	diazirine	ch2n2
595	CH₂NN	diazomethane	ch2nn
596	NH₂CN	cyanamide	cyanamide
597	HNNNH⁺	1,2-Triazadienium	n2h3+
598	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
599	CH₃CN	Acetonitrile	ch3cn
600	CH₃CN⁺	Acetonitrile cation	ch3cn+
601	CH₃NC	methyl isocyanide	ch3nc
602	CHNCH₂	2H-Azirine	c157164
603	CHNHCH	1H-Azirine	chnhch
604	H₂CCNH	Ethenimine	ch2cnh
605	H₂CNCH	methyleneaminomethylene	ch2nch
606	HCCNH₂	Ethynamine	hccnh2
607	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
608	NCNH₃⁺	Cyanamide, protonated	ncnh3+
609	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
610	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
611	NHCHNH₂	aminomethanimine	cn2h4
612	C₂H₅N	Aziridine	c2h5n
613	CH₂CHNH₂	aminoethene	aminoethene
614	CH₂NCH₃	N-methylmethanimine	nmm
615	CH₃CHNH	ethanimine	ethanimine
616	NH₂BHNH₂	diaminoborane	nh2bhnh2
617	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
618	C₂H₆N⁺	aziridine, protonated	c2h6n+
619	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
620	CH₃CH₂NH₂	Ethylamine	etam
621	CH₃NHCH₃	Dimethylamine	ch3nhch3
622	CH₃PHCH₃	dimethylphosphine	ch3phch3
623	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
624	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
625	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
626	Li₂O	dilithium oxide	li2o
627	Li₂S	dilithium sulfide	li2s
628	Na₂O	disodium monoxide	na2o
629	Na₂S	Sodium sulfide	na2s
630	CNO^-	fulminate	cno-
631	NCO^-	cyanate	nco-
632	SCN	thiocyanato radical	scn
633	SCN^-	thiocyanide anion	scn-
634	BO₂	Boron dioxide	bo2
635	BO₂^-	Boron dioxide anion	bo2-
636	BO₂⁺	Boron dioxide cation	bo2+
637	N₂O	Nitrous oxide	n2o
638	N₂O⁺	Nitrous oxide cation	n2o+
639	NNS	Nitrogen sulfide	nns
640	PPO	Phosphorus oxide phosphide	ppo
641	CO₂	Carbon dioxide	co2
642	CO₂^-	Carbon dioxide anion	co2-
643	CO₂⁺	Carbon dioxide cation	co2+
644	OCS	Carbonyl sulfide	cos
645	OCS⁺	Carbonyl sulfide cation	cos+
646	SiO₂	silicon dioxide	sio2
647	CS₂	Carbon disulfide	cs2
648	CS₂⁺	Carbon disulfide cation	cs2+
649	TiO₂	Titanium dioxide	tio2
650	SiS₂	Silicon disulfide	sis2
651	GeO₂	Germanium dioxide	geo2
652	OCSe	Carbonyl selenide	ocse
653	SCSe	Carbon sulfide selenide	scse
654	GeS₂	Germanium disulfide	ges2
655	CSe₂	Carbon diselenide	cse2
656	SCTe	Carbon sulfide Telluride	scte
657	NO₂^-	Nitrogen dioxide anion	no2-
658	PO₂	Phosphorus dioxide	po2
659	PO₂^-	Phosphorus dioxide anion	po2-
660	PO₂⁺	Phosphorus dioxide cation	po2+
661	O₃	Ozone	o3
662	O₃^-	Ozone anion	o3-
663	O₃⁺	Ozone cation	o3+
664	SO₂^-	Sulfur dioxide anion	so2-
665	SO₂⁺	Sulfur dioxide cation	so2+
666	SSO	Disulfur monoxide	sso
667	S₃	Sulfur trimer	s3
668	SeO₂	Selenium dioxide	seo2
669	TeO₂	Tellurium Dioxide	teo2
670	CS₂H⁺	Carbon disulfide, protonated	cs2h+
671	HCNO	fulminic acid	hcno
672	HNCO	Isocyanic acid	hnco
673	HOCN	cyanic acid	hocn
674	HNCS	Isothiocyanic acid	hncs
675	HSCN	thiocyanic acid	hscn
676	HCO₂^-	formate anion	hco2-
677	HNNO	nitrosoazane	hnno
678	HNNO⁺	Nitrous oxide, N-protonated	hnno+
679	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
680	HOCO⁺	Hydrocarboxyl cation	hoco+
681	HNO₂	Nitrous acid	hno2
682	HNO₂⁺	nitrous acid cation	hno2+
683	O₃H⁺	protonated ozone	o3h+
684	SO₂H⁺	protonated sulfur dioxide	so2h+
685	C₂H₂O	Oxirene	oxirene
686	CH₂CO	Ketene	ch2co
687	CH₂CO⁺	Ketene cation	ch2co+
688	HCCOH	ethynol	hccoh
689	CH₂CS	Thioketene	ch2cs
690	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
691	NH₂NO	Nitrosamide	nh2no
692	CH₂O₂	Dioxirane	diox
693	H₂COO	Dioxymethyl radical	h2coo
694	H₂COO⁺	dioxymethyl cation	h2coo+
695	HCOOH	Formic acid	ch2o2
696	H₂O₃	Hydrogen trioxide	h2o3
697	HSSSH	trisulfane	hsssh
698	NaOCH₃	Sodium methoxide	naoch3
699	CH₂BOH	hydroxy(methylene)borane	ch2boh
700	BH₃CO	Borane carbonyl	bh3co
701	CH₃BO	Borane, methyloxo-	ch3bo
702	CH₂CHO	Vinyloxy radical	ch2cho
703	CH₂COH⁺	ketene, protonated	ch2coh+
704	CH₃CO	Acetyl radical	ch3co
705	CH₃CO^-	Acetyl anion	ch3co-
706	CH₃CO⁺	acetyl cation	ch3co+
707	CH₂NOH	formaldoxime	ch2noh
708	CH₃NO	nitrosomethane	ch3no
709	CHONH₂	formamide	formamide
710	CNOH₃	1,2-oxaziridine	cnoh3
711	HOCHNH	hydroxymethylimine	hochnh
712	CHSNH₂	thioformamide	chsnh2
713	NHCHSH	Methanimidothioic acid	nhchsh
714	CH₂OOH	CH2OOH radical	ch2ooh
715	CH₃OO	methylperoxy radical	ch3oo
716	CH₃OO^-	methylperoxy anion	ch3oo-
717	CH₃OO⁺	methylperoxy cation	ch3oo+
718	C₂H₄O	Ethylene oxide	c2h4o
719	CH₂CHOH	ethenol	ch2choh
720	CH₃CHO	Acetaldehyde	ch3cho
721	C₂H₄S	Thiirane	thiirane
722	CH₂CHSH	Ethenethiol	ch2chsh
723	CH₃CHS	Thioacetaldehyde	ch3chs
724	H₂CONH₂⁺	protonated formamide	h2conh2+
725	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
726	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
727	CH₂(OH)₂	methanediol	ch2o2h2
728	CH₃OOH	Methyl peroxide	ch3ooh
729	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
730	HSCH₂SH	Methanedithiol	ch4s2
731	H₂OH₂CO	water formaldehyde dimer	h2oh2co
732	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
733	CH₃CH₂O	Ethoxy radical	ethoxy
734	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
735	CH₃OCH₂	methoxymethyl radical	ch3och2
736	NH₂CH₂OH	aminomethanol	nh2ch2oh
737	CH₃CH₂OH	Ethanol	etoh
738	CH₃OCH₃	Dimethyl ether	meome
739	CH₃CH₂SH	ethanethiol	etsh
740	CH₃SCH₃	Dimethyl sulfide	mesme
741	CH₃SeCH₃	dimethylselenide	dmse
742	CH₃OHH₂O	methanol water dimer	ch3ohh2o
743	H₂OCH₃OH	water methanol dimer	h2och3oh
744	ZnF₂	Zinc difluoride	znf2
745	CNF	iso cyanogen fluoride	cnf
746	FCN	Cyanogen fluoride	fcn
747	ClCN	chlorocyanogen	clcn
748	BrCN	Cyanogen bromide	brcn
749	ICN	Cyanogen iodide	icn
750	FBO	Boron monofluoride monoxide	fbo
751	BeF₂	Beryllium fluoride	bef2
752	MgF₂	Magnesium fluoride	mgf2
753	BeCl₂	Beryllium chloride	becl2
754	MgCl₂	Magnesium dichloride	mgcl2
755	CaCl₂	Calcium Chloride	cacl2
756	ZnCl₂	Zinc dichloride	zncl2
757	BeBr₂	Beryllium bromide	bebr2
758	CaBr₂	Calcium dibromide	cabr2
759	CaF₂	Calcium difluoride	caf2
760	FCO⁺	Carbonyl fluoride cation	fco+
761	FNO	Nitrosyl fluoride	fno
762	ClNO	Nitrosyl chloride	clno
763	FNS	Thionitrosyl fluoride	fns
764	FSN	Thiazyl fluoride	fsn
765	OPCl	Phosphorus oxychloride	opcl
766	BrNO	Nitrosyl bromide	brno
767	INO	Nitrosyl iodide	ino
768	CF₂	Difluoromethylene	cf2
769	CF₂^-	Difluoromethylene anion	cf2-
770	CF₂⁺	Difluoromethylene cation	cf2+
771	CFCl	chlorofluoromethylene	cfcl
772	SiF₂	Silicon difluoride	sif2
773	CCl₂	dichloromethylene	ccl2
774	CCl₂^-	dichloromethylene anion	ccl2-
775	CCl₂⁺	dichloromethylene cation	ccl2+
776	SiCl₂	Dichlorosilylene	sicl2
777	GeF₂	Germanium difluoride	gef2
778	GeCl₂	Germanium dichloride	gecl2
779	CBr₂	dibromomethylene	cbr2
780	FOO	Dioxygen monofluoride radical	foo
781	ClOO	chloroperoxy radical	cloo
782	ClOO⁺	chloroperoxy cation	cloo+
783	OClO⁺	Chlorine dioxide cation	oclo+
784	ClS₂	Sulfur chloride	cls2
785	NF₂	Difluoroamino radical	nf2
786	NF₂⁺	Difluoroamino cation	nf2+
787	PF₂⁺	Phosphorus difluoride cation	pf2+
788	FClO	chlorosyl fluoride	fclo
789	F₂O	Difluorine monoxide	f2o
790	ClOF	Chlorine hypofluorite	clof
791	SF₂	sulfur difluoride	sf2
792	SF₂⁺	sulfur difluoride cation	sf2+
793	Cl₂O	Dichlorine monoxide	cl2o
794	SCl₂	Sulfur dichloride	scl2
795	SeF₂	Selenium difluoride	sef2
796	BrOCl	Bromine hypochlorite	brocl
797	SeCl₂	Selenium Dichloride	secl2
798	SBr₂	Sulfur dibromide	sbr2
799	SeBr₂	Selenium dibromide	sebr2
800	BrOBr	Bromine oxide	brobr
801	F₃^-	trifluoride anion	f3-
802	Cl₃^-	trichloride anion	cl3-
803	Br₃^-	tribromide anion	br3-
804	I₃^-	triiodide	i3-
805	SFCl	Sulfur chloride fluoride	sfcl
806	HCCF	Fluoroacetylene	hccf
807	HCCF⁺	fluoroacetylene cation	hccf+
808	HCCCl	Chloroacetylene	hcccl
809	HCCBr	bromoacetylene	hccbr
810	HFCO	formyl fluoride	hfco
811	COHCl	Formyl chloride	cohcl
812	COHBr	Formyl bromide	cohbr
813	BHF₂	Difluoroborane	bhf2
814	BHCl₂	Borane, dichloro-	bhcl2
815	CHF₂⁺	difluoromethyl cation	chf2+
816	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
817	CHCl₂⁺	dichloromethyl cation	chcl2+
818	HOClO	Chlorous acid	hoclo
819	NHF₂	difluoramine	nhf2
820	NHCl₂	dichloroamine	nhcl2
821	CH₂F₂	Methane, difluoro-	ch2f2
822	CH₂FCl	fluorochloromethane	ch2fcl
823	SiH₂F₂	difluorosilane	sih2f2
824	CH₂Cl₂	Methylene chloride	ch2cl2
825	CH₂BrF	Methane, bromofluoro-	ch2fbr
826	CH₂BrCl	Methane, bromochloro-	ch2clbr
827	CH₂FI	fluoroiodomethane	ch2fi
828	CH₂Br₂	dibromomethane	ch2br2
829	CH₂ClI	chloroiodomethane	ch2cli
830	CH₂BrI	bromoiodomethane	ch2bri
831	CH₂I₂	Diiodomethane	ch2i2
832	SiH₂Cl₂	dichlorosilane	sih2cl2
833	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
834	CH₂CHF⁺	fluoroethene cation	ch2chf+
835	C₂H₃Cl	Ethene, chloro-	ch2chcl
836	C₂H₃Br	vinyl bromide	c2h3br
837	C₂H₃I	Vinyl iodide	c2h3i
838	CH₂FOH	fluoromethanol	ch2foh
839	CH₃OCl	methyl hypochlorite	ch3ocl
840	C₂H₅F	fluoroethane	c2h5f
841	CH₃CH₂Cl	Ethyl chloride	c2h5cl
842	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
843	C₂H₅Br	Ethyl bromide	etbr
844	C₂H₅I	Ethyl iodide	c2h5i
845	KrF₂	Krypton difluoride	krf2
846	XeF₂	Xenon difluoride	xef2
847	B₄H₁₀	Tetraborane(10)	b4h10
848	C₄⁺	Carbon tetramer cation	c4+
849	C₄H₂	Diacetylene	c4h2
850	C₂H₃CCH	1-Buten-3-yne	c2h3cch
851	C₄H₄	cyclobutadiene	cbd
852	C₄H₄	Tetrahedrane	c4h4
853	H₂CCCCH₂	Butatriene	h2cccch2
854	C₄H₆	1-Methylcyclopropene	c3100047
855	C₄H₆	Cyclobutene	c822355
856	C₄H₆	Methylenecyclopropane	c6142730
857	CH₂CCHCH₃	1,2-Butadiene	butad12
858	CH₂CHCHCH₂	1,3-Butadiene	c106990
859	CH₃CCCH₃	2-Butyne	c503173
860	CHCCH₂CH₃	1-Butyne	c107006
861	CH₃CHCHCH₂	methylallyl radical	c4h7
862	C₄H₈	methylcyclopropane	mcp
863	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
864	CH₂CHCH₂CH₃	1-Butene	bute1
865	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
866	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
867	B(CH₃)₃	trimethylborane	bme3
868	Al(CH₃)₃	trimethyl aluminum	tma
869	C(CH₃)₃	Tert-butyl radical	tbutyl
870	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
871	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
872	CH₃CH(CH₃)CH₃	Isobutane	isobutane
873	CH₃CH₂CH₂CH₃	Butane	butane
874	SiH(CH₃)₃	trimethylsilane	trimsi
875	Li₃N	trilithium nitride	li3n
876	C₂N₂	Cyanogen	c2n2
877	C₂N₂⁺	Cyanogen cation	c2n2+
878	P₄	Phosphorus tetramer	p4
879	As₄	Arsenic tetramer	as4
880	HCCCN	Cyanoacetylene	hcccn
881	H₂CNCN	cyanamide, methylene	ch2ncn
882	HNCCNH	Ethenediimine	hnccnh
883	C₃H₃N	acrylonitrile	ch2chcn
884	CH₃N₃	methyl azide	ch3n3
885	NH₂CCNH₂	Diaminoacetylene	daa
886	NH₂CH₂CN	Aminoacetonitrile	aan
887	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
888	C₂H₅CN	ethyl cyanide	c2h5cn
889	CH₅N₃	Guanidine	guanidine
890	C₄H₆	Bicyclo[1.1.0]butane	c157335
891	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
892	H₂NCHCHNH₂	diaminoethylene	dae
893	CH₆N₃⁺	guanidinium	ch6n3+
894	C₃H₇N	Cyclopropylamine	cpram
895	CH₇N₃	triaminomethane	tam
896	C₃H₇N	Azetidine	azet
897	C₄H₈	cyclobutane	cbutane
898	C₂H₈N₂	Ethylenediamine	ethdiam
899	CH₃NHNHCH₃	dimethyl hydrazine	dmh
900	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
901	N(CH₃)₃	Trimethylamine	trimeam
902	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
903	P(CH₃)₃	trimethylphosphine	tmp
904	N(SiH₃)₃	trisilylamine	tsa
905	As(CH₃)₃	trimethyl arsine	tmas
906	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
907	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
908	Li₂O₂	dilithium dioxide	li2o2
909	Na₂O₂	disodium dioxide	na2o2
910	K₂O₂	dipotassium dioxide	k2o2
911	C₃O	Tricarbon monoxide	c3o
912	B₂O₂	Diboron dioxide	b2o2
913	ONNO	NO dimer	onno
914	S₂N₂	Disulfur dinitride	s2n2
915	CO₃	Carbon trioxide	co3
916	CO₃^--	carbonate	co3--
917	CS₃^--	Carbonotrithioate	cs3--
918	NO₃	Nitrogen trioxide	no3
919	NO₃^-	nitrate anion	no3-
920	NO₃⁺	nitrogen trioxide cation	no3+
921	SO₃	Sulfur trioxide	so3
922	SO₃^-	Sulfur trioxide anion	so3-
923	SO₃^--	Sulfate dianion	so3--
924	SO₃⁺	Sulfur trioxide cation	so3+
925	SeO₃	selenium trioxide	seo3
926	S₄	Sulfur tetramer	s4
927	TeO₃	Tellurium trioxide	teo3
928	HCO₃^-	bicarbonate anion	hco3-
929	HNO₃	Nitric acid	hno3
930	HSO₃	Hydroxysulfonyl radical	hso3
931	NH₂NO₂	nitramide	nh2no2
932	C₂H₂CO	cyclopropenone	c2h2co
933	C₃H₂O	Propadienal	c3h2o
934	HCCCHO	2-propynal	hcccho
935	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
936	H₂CO₃	Carbonic acid	h2co3
937	H₂CS₃	thiocarbonic acid	h2cs3
938	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
939	H₂SO₃	Sulfurous acid	h2so3
940	C₂H₃NO	Nitrosoethylene	c2h3no
941	CH₃NCO	methylisocyante	ch3nco
942	HOCH₂CN	cyanomethanol	hoch2cn
943	CH₃COO^-	acetate anion	ch3coo-
944	CH₃NO₂	Methane, nitro-	ch3no2
945	CH₃ONO	Methyl nitrite	ch3ono
946	NH₂COOH	Carbamic acid	nh2cooh
947	H₃BO₃	Boric acid	h3bo3
948	H₃AlO₃	Aluminum hydroxide	h3alo3
949	H₃CO₃⁺	carbonic acid, protonated	h3co3+
950	C₃H₄O	2-Propyn-1-ol	c107197
951	C₃H₄O	allenol	c9000071
952	C₃H₄O	Cyclopropanone	cpone
953	C₃H₄O	Methylketene	c6004440
954	CH₂CHCHO	Acrolein	c3h4o
955	NH₂CONH₂	Urea	urea
956	NH₂CONH₂⁺	Urea cation	urea+
957	NH₂CSNH₂	Thiourea	thiourea
958	C₂H₄O₂	1,3-dioxetane	c2h4o2
959	CH₃COOH	Acetic acid	ch3cooh
960	CH₃OCHO	methyl formate	ch3ocho
961	CHOCH₂OH	hydroxy acetaldehyde	haa
962	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
963	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
964	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
965	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
966	HCOOHH₂O	Formic acid water dimer	hcoohh2o
967	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
968	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
969	CH₃C(OH)=NH	Ethaninidic acid	eia
970	CH₃CHNOH	Acetaldoxime	acetaldoxime
971	CH₃CONH₂	Acetamide	acetamide
972	HCONHCH₃	N-methylformamide	nmfa
973	CH₃CSNH₂	Ethanethioamide	ch3csnh2
974	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
975	H₂NCOHNH₂⁺	urea, protonated	ureah+
976	C₂H₅OO	ethylperoxy radical	c2h5oo
977	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
978	C₃H₅OH	Cyclopropanol	cproh
979	C₃H₆O	2-Propen-1-ol	c107186
980	C₃H₆O	Acetone enol	enol
981	C₃H₆O	Oxetane	oxetane
982	C₃H₆O	Propylene oxide	prox
983	CH₃CH₂CHO	Propanal	propanal
984	CH₃COCH₃	Acetone	acetone
985	C₃H₆S	Thietane	thietane
986	C₃H₆S	Thiirane, methyl-	methiirane
987	CH₃CSCH₃	Thioacetone	ch3csch3
988	C₂H₆O₂	1,2-Ethanediol	ethdiol
989	CH₃OOCH₃	dimethylperoxide	dmp
990	CH₃SOCH₃	Dimethyl sulfoxide	dmso
991	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
992	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
993	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
994	HOCH₂CH₂NH₂	monoethanolamine	mea
995	C₃H₇OH	1-Propanol	proh
996	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
997	CH₃OC₂H₅	Ethane, methoxy-	etome
998	C₃H₇SH	1-Propanethiol	prsh
999	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1000	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1001	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1002	Li₂F₂	Lithium fluoride dimer	li2f2
1003	Na₂F₂	Sodium Fluoride Dimer	na2f2
1004	Na₂Cl₂	Disodium dichloride	na2cl2
1005	C₂F₂	difluoroacetylene	c2f2
1006	C₂Cl₂	dichloroacetylene	c2cl2
1007	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1008	FNO₂	Nitryl fluoride	fno2
1009	FONO	Nitrosyl hypofluorite	fono
1010	ClNO₂	Nitryl chloride	clno2
1011	BrONO	Bromine nitrite	brono
1012	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1013	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1014	CF₂O	Carbonic difluoride	f2co
1015	COFCl	Carbonic chloride fluoride	cofcl
1016	CCl₂O	Phosgene	cl2co
1017	Cl₂CS	Thiophosgene	cl2cs
1018	COBr₂	Carbonic dibromide	cobr2
1019	BF₃	Borane, trifluoro-	bf3
1020	BF₃^-	Borane, trifluoro- anion	bf3-
1021	AlF₃	Aluminum trifluoride	alf3
1022	BClF₂	Chlorodifluoroborane	bclf2
1023	AlF₂Cl	Aluminum chloride difluoride	alclf2
1024	ScF₃	Scandium trifluoride	ScF3
1025	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1026	BCl₃	Borane, trichloro-	bcl3
1027	GaF₃	Gallium trifluoride	gaf3
1028	AlCl₃	Aluminum trichloride	alcl3
1029	GaCl₃	Gallium trichloride	gacl3
1030	BBr₃	Boron tribromide	bbr3
1031	AlBr₃	Aluminum Bromide	albr3
1032	ClO₃	Chlorine trioxide	clo3
1033	ClO₃^-	chlorate anion	clo3-
1034	BrO₃^-	Bromate anion	bro3-
1035	CF₃	Trifluoromethyl radical	cf3
1036	CCl₃	Trichloromethyl radical	ccl3
1037	CCl₃^-	Trichloromethyl anion	ccl3-
1038	CCl₃⁺	Trichloromethyl cation	ccl3+
1039	SiCl₃	trichlorosilyl radical	sicl3
1040	SiCl₃⁺	trichlorosilyl cation	sicl3+
1041	FOOF	Perfluoroperoxide	foof
1042	ClO₂F	Chloryl fluoride	clo2f
1043	F₂SO	Thionyl Fluoride	f2so
1044	ClOOCl	Dichlorine dioxide	cloocl
1045	FSSF	Difluorodisulfane	fssf
1046	S₂F₂	Thio-thionyl fluoride	s2f2
1047	SOCl₂	thionyl chloride	socl2
1048	SSCl₂	Thiothionyl chloride	sscl2
1049	SeOCl₂	selenium oxychloride	seocl2
1050	NF₃^-	Nitrogen trifluoride anion	nf3-
1051	NF₃⁺	Nitrogen trifluoride cation	nf3+
1052	PF₃	Phosphorus trifluoride	pf3
1053	NCl₃	nitrogen trichloride	ncl3
1054	AsF₃	Arsenic trifluoride	asf3
1055	PCl₃	Phosphorus trichloride	pcl3
1056	SbF₃	Antimony Trifluoride	sbf3
1057	AsCl₃	Arsenous trichloride	ascl3
1058	SbCl₃	Antimony Trichloride	sbcl3
1059	PBr₃	Phosphorus tribromide	pbr3
1060	AsBr₃	Arsenic tribromide	asbr3
1061	NI₃	Nitrogen triiodide	ni3
1062	PI₃	Phosphorus triiodide	pi3
1063	ClSSCl	Disulfur dichloride	s2cl2
1064	ClF₃	Chlorine trifluoride	clf3
1065	BrF₃	Bromine trifluoride	brf3
1066	IF₃	iodone trifluoride	if3
1067	HClO₃	Chloric Acid	hclo3
1068	CHF₃	Methane, trifluoro-	chf3
1069	CHF₂Cl	difluorochloromethane	chf2cl
1070	SiHF₃	trifluorosilane	sihf3
1071	CHFCl₂	fluorodichloromethane	chfcl2
1072	CDCl₃	trichloromethane-d	cdcl3
1073	CHCl₃	Chloroform	chcl3
1074	CHBrF₂	Methane, bromodifluoro-	chbrf2
1075	SiHCl₃	Trichlorosilane	sihcl3
1076	CHFClBr	fluorochlorobromomethane	chfclbr
1077	CHBrCl₂	Methane, bromodichloro-	chbrcl2
1078	CHF₂I	difluoroiodomethane	chf2i
1079	CHBr₂F	dibromofluoromethane	chbr2f
1080	CHFClI	fluorochloroiodomethane	chfcli
1081	CHCl₂I	dichloroiodomethane	chcl2i
1082	CHClBr₂	Methane, dibromochloro-	chclbr2
1083	CHBr₃	bromoform	chbr3
1084	CHI₃	Iodoform	chi3
1085	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1086	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1087	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1088	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1089	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1090	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1091	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1092	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1093	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1094	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1095	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1096	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1097	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1098	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1099	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1100	CH₃COF	Acetyl fluoride	ch3cof
1101	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1102	CH₃COCl	Acetyl Chloride	ch3cocl
1103	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1104	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1105	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1106	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1107	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1108	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1109	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1110	CH₂CFCH₃	2-fluoropropene	2fpro
1111	CH₂CHCH₂F	Allyl Fluoride	allylf
1112	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1113	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1114	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1115	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1116	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1117	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1118	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1119	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1120	CH₃CHFCH₃	2-Fluoropropane	prf2
1121	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1122	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1123	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1124	CH₃CHBrCH₃	i-propyl bromide	iprbr
1125	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1126	B₅H₉	pentaborane9	b5h9
1127	C₅H₄	pentatetraene	ptrene
1128	C₅H₅	cyclopentadienyl radical	c5h5
1129	C₅H₅^-	cylopentadienyl anion	c5h5-
1130	C₅H₆	1,3-Cyclopentadiene	c542927
1131	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1132	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1133	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1134	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1135	C₅H₆	Cyclopropylacetylene	c6746947
1136	C₅H₆	Propellane	propellane
1137	C₅H₇	1,3-pentadienyl radical	pdyl
1138	C₅H₇	cyclopentenyl radical	cpyl
1139	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1140	C₅H₈	1,2-Pentadiene	c591957
1141	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1142	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1143	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1144	C₅H₈	1,4-Pentadiene	c591935
1145	C₅H₈	1-pentyne	a1pentyne
1146	C₅H₈	2,3-Pentadiene	c591968
1147	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1148	C₅H₈	Cyclobutane, methylene-	c1120565
1149	C₅H₈	Cyclopentene	c142290
1150	C₅H₈	Ethenylcyclopropane	c693867
1151	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1152	C₅H₁₀	1-Butene, 2-methyl-	c563462
1153	C₅H₁₀	2-Butene, 2-methyl-	c513359
1154	C₅H₁₀	2-Pentene, (E)-	c646048
1155	C₅H₁₀	2-Pentene, (Z)-	c627203
1156	C₅H₁₀	Cyclopentane	c287923
1157	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1158	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1159	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1160	C₅H₁₂	Butane, 2-methyl-	buta2
1161	C₅H₁₂	Pentane	pentane
1162	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1163	Si(CH₃)₄	tetramethylsilane	tms
1164	N₂O₃	Dinitrogen trioxide	n2o3
1165	C₃H₂N₂	Malononitrile	c3h2n2
1166	CH₂N₄	1H-Tetrazole	1htz
1167	C₃H₃N₂^-	imidizolyl anion	im-
1168	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1169	C₄H₄N^-	pyrrolide anion	c4h4n-
1170	C₃H₄N₂	1H-Pyrazole	1hpyraz
1171	C₃H₄N₂	2H-Imidazole	imid2h
1172	C₃H₄N₂	4H-Imidazole	imid4h
1173	C₄H₅N	(E)-2-Butenenitrile	c627269
1174	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1175	C₄H₅N	2H-pyrrole	pyrrole2
1176	C₄H₅N	3H-pyrrole	pyrrole3
1177	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1178	C₄H₅N	Pyrrole	pyrrole
1179	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1180	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1181	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1182	C₄H₆N⁺	pyrrole, protonated	ppyr
1183	C₃H₆N₂	3-Aminopropionitrile	c151188
1184	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1185	CH₃CH₂CH₂CN	Butanenitrile	c109740
1186	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1187	C₅H₈	Spiropentane	c157404
1188	C₄H₉N	Cyclobutylamine	cbam
1189	C₄H₉N	Pyrrolidine	pyrrolidine
1190	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1191	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1192	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1193	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1194	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1195	NH(C₂H₅)₂	diethylamine	dea
1196	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1197	C₃O₂	Carbon suboxide	c3o2
1198	C₃O₂⁺	Carbon suboxide cation	c3o2+
1199	B₂O₃	diboron trioxide	b2o3
1200	MgCO₃	Magnesium Carbonate	mgco3
1201	BeCO₃	Beryllium Carbonate	beco3
1202	CaCO₃	Calcium Carbonate	caco3
1203	ONONO	Nitrosyl nitrite	onono
1204	PO₄^---	phosphate	po4---
1205	SO₄^--	sulfate	so4--
1206	HOONO₂	peroxy nitric acid	hoono2
1207	HSO₄^-	bisulfate anion	hso4-
1208	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1209	C₃H₂O₂	Propiolic acid	c3h2o2
1210	CHOCOOH	oxo acetic acid	oaa
1211	CHOOCHO	diformyl ether	choocho
1212	H₂SO₄	Sulfuric acid	h2so4
1213	H₂SeO₄	Selenic acid	h2seo4
1214	C₃H₃NO	Isoxazole	isox
1215	C₃H₃NO	Oxazole	oxazole
1216	C₃H₃NS	Thiazole	thiazole
1217	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1218	CH₃NO₃	Methyl nitrate	ch3no3
1219	H₃PO₄	Phosphoric Acid	h3po4
1220	C₄H₄O	Furan	furan
1221	C₄H₄O⁺	Furan cation	furan+
1222	CH₃COCCH	3-butyn-2-one	c1423605
1223	C₄H₄S	Thiophene	furans
1224	C₄H₄Se	selenophene	c4h4se
1225	C₃H₄O₂	β–Propiolactone	beta
1226	C₃H₄O₂	2-Propenoic acid	propenoic2
1227	C₃H₄O₂	Methyl glyoxal	megly
1228	C₃H₄O₂	propanedial	propanedial
1229	C₃H₄O₂	propenalol	propenalol
1230	HOCHCCHOH	allenediol	aldiol
1231	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1232	C₂H₄O₃	trioxolane124	triox
1233	HOCH₂COOH	Hydroxyacetic acid	hac
1234	CH₂CHCONH₂	Acrylamide	c79061
1235	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1236	CH₅N₃S	Hydrazinecarbothioamide	c79196
1237	H₂NCH₂COOH	Glycine	glycine
1238	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1239	C₄H₆O	cis-2-butenal	butenal2c
1240	C₄H₆O	Cyclobutanone	cbutone
1241	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1242	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1243	CH₂CHOCHCH₂	Vinyl ether	vinylether
1244	CHOCHCHCH₃	2-Butenal	butenal2
1245	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1246	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1247	CH₂CHSCHCH₂	Divinyl sulfide	divis
1248	C₂H₆N₂O	Urea, methyl-	c598505
1249	C₃H₆O₂	1,3-Dioxolane	dioxolane
1250	CH₃CH₂COOH	Propanoic Acid	propanoic
1251	CH₃COOCH₃	methyl acetate	aame
1252	HCOOC₂H₅	Ethyl formate	faee
1253	C₂H₆O₂S	Dimethyl sulfone	c67710
1254	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1255	C₃H₇NO	dimethylformamide	dmf
1256	C₃H₇NO	Propanamide	propanam
1257	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1258	C₄H₈O	Cyclobutanol	c2919235
1259	C₄H₈O	Furan, tetrahydro-	thf
1260	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1261	CH₃COCH₂CH₃	2-Butanone	buta2one
1262	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1263	CHOCH₂CH₂CH₃	Butanal	butanal
1264	C₄H₈S	Thiophene, tetrahydro-	tht
1265	C₃H₈O₂	1,3-Propanediol	c504632
1266	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1267	C₃H₈O₂	Methane, dimethoxy-	c109875
1268	C₃H₈O₂	Propylene glycol	c57556
1269	C₃H₈S₂	1,3-Propanedithiol	c109808
1270	C₄H₁₀O	1-Butanol	butanol1
1271	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1272	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1273	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1274	C₄H₁₀O	Ethoxy ethane	etoet
1275	C₄H₁₀O	Methyl propyl ether	meopr
1276	C₄H₁₀O	Propane, 2-methoxy-	c598538
1277	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1278	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1279	C₂H₅SC₂H₅	Diethyl sulfide	etset
1280	C₄H₉SH	1-Butanethiol	bush
1281	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1282	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1283	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1284	FNO₃	Fluorine nitrate	fno3
1285	ClONO₂	Chlorine nitrate	clono2
1286	BrONO₂	Bromine nitrate	brono2
1287	TiCl₄	Titanium tetrachloride	ticl4
1288	ClO₄^-	perchlorate anion	clo4-
1289	BF₄^-	tetrafluoroboron anion	bf4-
1290	ClFO₃	Perchloryl fluoride	clfo3
1291	SO₂F₂	Sulfuryl fluoride	so2f2
1292	SO₂Cl₂	Sulfuryl chloride	so2cl2
1293	F₃NO	Nitrogen trifluoride oxide	f3no
1294	F₃PO	Phosphoryl fluoride	pf3o
1295	Cl₃PO	Phosphoryl chloride	pcl3o
1296	CF₄	Carbon tetrafluoride	cf4
1297	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1298	SiF₄	Silicon tetrafluoride	sif4
1299	CF₂Cl₂	difluorodichloromethane	cf2cl2
1300	TiF₄	Titanium tetrafluoride	tif4
1301	CFCl₃	Trichloromonofluoromethane	cfcl3
1302	CF₃Br	Bromotrifluoromethane	cf3br
1303	GeF₄	Germanium tetrafluoride	gef4
1304	CCl₄	Carbon tetrachloride	ccl4
1305	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1306	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1307	SiCl₄	Silane, tetrachloro-	sicl4
1308	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1309	CF₃I	trifluoroiodomethane	cf3i
1310	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1311	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1312	GeCl₄	Germanium Tetrachloride	gecl4
1313	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1314	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1315	CCl₃I	trichloroiodomethane	ccl3i
1316	CFBr₃	fluorotribromomethane	cfbr3
1317	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1318	CBr₃Cl	tribromochloromethane	cbr3cl
1319	CF₂I₂	difluorodiiodomethane	cf2i2
1320	CBr₄	Carbon tetrabromide	cbr4
1321	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1322	SiBr₄	Silicon tetrabromide	sibr4
1323	CBr₃I	tribromoiododmethane	cbr3i
1324	GeBr₄	Germanium tetrabromide	gebr4
1325	CI₄	tetraiodomethane	ci4
1326	SiI₄	silicon tetraiodide	sii4
1327	ClOF₃	Chlorine trifluoride oxide	clof3
1328	SF₄	Sulfur tetrafluoride	sf4
1329	SeF₄	Selenium tetrafluoride	sef4
1330	SCl₄	Sulfur tetrachloride	scl4
1331	C₂HF₃	Trifluoroethylene	c2hf3
1332	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1333	CHClCCl₂	Trichloroethylene	chclccl2
1334	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1335	HClO₄	perchloric acid	hclo4
1336	HSO₃F	Fluorosulfonic acid	hso3f
1337	CF₃OH	trifluoromethanol	cf3oh
1338	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1339	CHClCCHCl	1,3-dichloroallene	chclcchcl
1340	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1341	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1342	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1343	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1344	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1345	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1346	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1347	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1348	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1349	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1350	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1351	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1352	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1353	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1354	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1355	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1356	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1357	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1358	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1359	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1360	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1361	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1362	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1363	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1364	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1365	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1366	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1367	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1368	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1369	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1370	C₄H₉F	1-fluorobutane	butaf1
1371	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1372	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1373	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1374	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1375	XeF₄	Xenon tetrafluoride	xef4
1376	C₂H₂N₂O	Furazan	furazan
1377	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1378	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1379	C₆H₂	hexatriyne	c6h2
1380	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1381	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1382	C₆H₄	Benzyne	benzyne
1383	C₆H₅	phenyl	phenyl
1384	C₆H₅^-	phenyl anion	phenyl-
1385	C₆H₆	Prismane	prismane
1386	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1387	C₆H₆	2,4-Hexadiyne	hexadiyne
1388	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1389	C₆H₆	Benzene	benzene
1390	C₆H₆	Benzvalene	bv
1391	C₆H₆	Dewar Benzene	dewar
1392	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1393	C₆H₆	Trimethylenecycopropane	tmcp
1394	C₆H₆⁺	Benzene cation	c6h6+
1395	C₆H₇⁺	benzene, protonated	c6h7+
1396	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1397	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1398	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1399	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1400	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1401	C₆H₈	3-Methylenecyclopentene	c930267
1402	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1403	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1404	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1405	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1406	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1407	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1408	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1409	C₆H₁₀	1,5-Hexadiene	c592427
1410	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1411	C₆H₁₀	1-Hexyne	hexyne1
1412	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1413	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1414	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1415	C₆H₁₀	2-Hexyne	c764352
1416	C₆H₁₀	3-Hexyne	hexyne3
1417	C₆H₁₀	cyclohexene	cyclohexene
1418	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1419	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1420	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1421	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1422	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1423	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1424	C₆H₁₂	(E)-2-Hexene	e2hexene
1425	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1426	C₆H₁₂	(E)-hex-3-ene	e3hexene
1427	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1428	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1429	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1430	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1431	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1432	C₆H₁₂	3-methylenepentane	c760214
1433	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1434	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1435	C₆H₁₂	Cyclohexane	cyclohexane
1436	C₆H₁₂	Cyclopentane, methyl-	c96377
1437	C₆H₁₂	Ethylcyclobutane	c4806615
1438	C₆H₁₂	hex-1-ene	hexene1
1439	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1440	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1441	C₆H₁₄	Hexane	hexane
1442	C₆H₁₄	Pentane, 2-methyl-	penta2
1443	C₆H₁₄	Pentane, 3-methyl-	penta3
1444	C₄N₂	2-Butynedinitrile	c4n2
1445	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1446	C₄H₂N₂	Fumaronitrile	c4h2n2
1447	C₂H₂N₄	sym-tetrazine	ttz
1448	C₃H₃N₃	1,3,5-Triazine	triazine135
1449	CH₃N₅	5-Aminotetrazole	c4418615
1450	C₄H₄N₂	1,3-Diazine	diazine13
1451	C₄H₄N₂	Pyrazine	pyrazine
1452	C₄H₄N₂	Pyridazine	pyridazine
1453	C₄H₄N₂	Succinonitrile	c110612
1454	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1455	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1456	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1457	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1458	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1459	C₅H₅N	Pyridine	pyridine
1460	B₃N₃H₆	borazine	borazine
1461	C₆H₆	Fulvene	fulvene
1462	C₅H₆N⁺	Pyridinium	c5h6n
1463	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1464	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1465	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1466	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1467	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1468	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1469	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1470	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1471	C₅H₉N	Pentanenitrile	c110598
1472	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1473	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1474	C₅H₁₁N	Cyclopentanamine	cypentam
1475	C₅H₁₁N	Piperidine	piper
1476	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1477	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1478	Li₂CO₃	Lithium Carbonate	li2co3
1479	Na₂CO₃	Sodium Carbonate	na2co3
1480	C₂O₄^--	oxalate anion	c2o4
1481	MgSO₄	Magnesium Sulfate	mgso4
1482	N₂O₄	Dinitrogen tetroxide	n2o4
1483	C₃H₂O₃	vinylene carbonate	vica
1484	C₂H₂O₄	Oxalic Acid	oxalic
1485	C₂H₃NO₃	Oxamic acid	oxamic
1486	C₄H₄O₂	2(5H)-Furanone	furanone
1487	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1488	C₂H₄N₂O₂	Oxalamide	oxalamide
1489	C₂H₄N₂S₂	Ethanedithioamide	c79403
1490	C₂H₄CO₃	Ethylene carbonate	etco3
1491	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1492	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1493	C₂H₄O₄	Formic acid dimer	fadimer
1494	C₄H₅NO	3-Methylisoxazole	isox3m
1495	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1496	C₄H₅NS	4-Methylthiazole	c693958
1497	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1498	C₅H₆O	2H-Pyran	pyran2
1499	C₅H₆O	2-methylfuran	furan2m
1500	C₅H₆O	3-Methylfuran	furan3m
1501	C₅H₆O	Pentadienal	pdal
1502	C₅H₆S	Thiophene, 2-methyl-	c554143
1503	C₅H₆S	Thiophene, 3-methyl-	c616444
1504	C₄H₆O₂	γ–Butyrolactone	c96480
1505	C₄H₆O₂	2,3-Butanedione	c431038
1506	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1507	C₄H₆O₂	Crotonic Acid	crot
1508	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1509	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1510	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1511	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1512	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1513	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1514	C₄H₆OS	Vinyl sulfoxide	c1115157
1515	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1516	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1517	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1518	C₃H₆O₃	1,3,5-Trioxane	trioxane
1519	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1520	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1521	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1522	C₄H₇NO	2-Pyrrolidinone	c616455
1523	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1524	C₄H₇NO	Methacrylamide	c79390
1525	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1526	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1527	C₃H₇ONO	Propyl nitrite	prono
1528	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1529	CH₃CH(NH₂)COOH	Alanine	alanine
1530	CH₃NHCH₂COOH	Sarcosine	sarcosine
1531	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1532	NH₂COOC₂H₅	Urethane	urethane
1533	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1534	C₅H₈O	Cyclopentanone	c120923
1535	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1536	C₅H₈O	Methyl cyclopropyl ketone	c765435
1537	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1538	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1539	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1540	C₄H₈O₂	1,3-Dioxane	dioxan13
1541	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1542	C₄H₈O₂	1,4-Dioxane	dioxan14
1543	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1544	C₄H₈O₂	Ethyl acetate	c141786
1545	C₄H₈OS	s-Ethyl thioacetate	c625605
1546	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1547	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1548	C₄H₉NO	Butanamide	c541355
1549	C₄H₉NO	Propanamide, 2-methyl-	c563837
1550	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1551	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1552	C₅H₁₀O	2-methylbutyraldehyde	2meba
1553	C₅H₁₀O	2-Pentanone	mpk
1554	C₅H₁₀O	3-Pentanone	dek
1555	C₅H₁₀O	Cyclopentanol	c96413
1556	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1557	C₅H₁₀O	Pentanal	pal
1558	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1559	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1560	C₅H₁₀S	Cyclopentanethiol	c1679078
1561	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1562	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1563	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1564	C₄H₁₀O₂	1,3-Butanediol	budiol13
1565	C₄H₁₀O₂	1,4-Butanediol	budiol14
1566	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1567	C₄H₁₀OS	Diethyl sulfoxide	c70291
1568	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1569	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1570	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1571	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1572	C₅H₁₂O	1-Pentanol	pentanol1
1573	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1574	C₅H₁₂O	2-Pentanol	peol2
1575	C₅H₁₂O	3-Pentanol	pentan3ol
1576	C₅H₁₂O	Butane, 1-methoxy-	meobu
1577	C₅H₁₂O	Propane, 1-ethoxy-	proet
1578	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1579	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1580	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1581	C₅H₁₂S	1-Pentanethiol	c110667
1582	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1583	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1584	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1585	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1586	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1587	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1588	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1589	C₄F₂	difluorobutadiyne	c4f2
1590	ClCOClCO	Oxalyl chloride	oxcl
1591	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1592	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1593	B₂F₄	Diboron tetrafluoride	b2f4
1594	B₂Cl₄	Diboron tetrachloride	b2cl4
1595	C₂F₄	Tetrafluoroethylene	c2f4
1596	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1597	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1598	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1599	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1600	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1601	C₂FCl₃	fluorotrichloroethene	c2fcl3
1602	C₂Cl₄	Tetrachloroethylene	c2cl4
1603	C₂Br₄	tetrabromoethene	c2br4
1604	CF₃OF	Trifluoromethylhypofluorite	cf3of
1605	SiF₅^-	silicon pentafluoride anion	sif5-
1606	SOF₄	Sulfur tetrafluoride oxide	sof4
1607	PF₅	Phosphorus pentafluoride	pf5
1608	AsF₅	Arsenic pentafluoride	asf5
1609	PCl₅	Phosphorus pentachloride	pcl5
1610	SF₅	Sulfur pentafluoride	sf5
1611	SF₅⁺	pentafluoro sulfur cation	sf5+
1612	SbCl₅	Antimony pentachloride	sbcl5
1613	BrF₅	bromine pentafluoride	brf5
1614	ClF₅	chlorinepentafluoride	clf5
1615	IF₅	pentafluoroiodine	if5
1616	CF₃CHO	trifluoroacetaldehyde	cf3cho
1617	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1618	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1619	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1620	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1621	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1622	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1623	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1624	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1625	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1626	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1627	CF₃COOH	trifluoroacetic acid	cf3cooh
1628	C₄H₃ClO	Furan, 2-chloro	fur2cl
1629	C₄H₃ClO	Furan,3-chloro	fur3cl
1630	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1631	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1632	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1633	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1634	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1635	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1636	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1637	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1638	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1639	C₄H₈O₂	Butanoic acid	bua
1640	C₆H₅CH₂	benzyl radical	benzyl
1641	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1642	C₆H₅CH₃	toluene	toluene
1643	C₇H₈	cycloheptatriene	cht
1644	C₇H₈	Norbornadiene	norbor
1645	C₇H₈	Quadricyclane	qucy
1646	C₇H₁₂	Norbornane	nor
1647	C₇H₁₄	cycloheptane	c7h14
1648	C₇H₁₆	2-methylhexane	2mhex
1649	C₇H₁₆	3-methylhexane	hex3m
1650	C₇H₁₆	heptane	heptane
1651	CH(CN)₃	tricyanomethane	mecn3
1652	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1653	C₆H₇N	2-Methylpyridine	mp
1654	C₆H₅NH₂	aniline	aniline
1655	C₆H₁₃N	2-Methylpiperidine	pip2m
1656	C₆H₁₃N	cyclohexanamine	cham
1657	C₆H₁₅N	triethylamine	tea
1658	N₂O₅	Dinitrogen pentoxide	n2o5
1659	C₄H₂O₃	Maleic Anhydride	malan
1660	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1661	C₅H₄O₂	furfural	furfural
1662	C₆H₅O	phenoxy radical	phenoxy
1663	C₅H₅NO	2(1H)-Pyridinone	c72762006
1664	C₅H₅NO	2(3H)-Pyridinone	c9000048
1665	C₅H₅NO	2(5H)-Pyridinone	c9000037
1666	C₅H₅NO	2-Pyridinol	c109104
1667	C₅H₅NO	3(2H)-Pyridinone	c9000004
1668	C₅H₅NO	3(4H)-Pyridinone	c9000026
1669	C₅H₅NO	3(6H)-Pyridinone	c9000015
1670	C₅H₅NO	3-Pyridinol	c109002
1671	C₅H₅NO	4(1H)-Pryidinone	c9000060
1672	C₅H₅NO	4(3H)-Pryidinone	c9000059
1673	C₅H₅NO	4-Pyridinol	c626642
1674	C₆H₅OH	phenol	phenol
1675	C₆H₆O	2,4-Cyclohexadienone	c24599573
1676	C₆H₆O	2,5-Cyclohexadienone	c5664335
1677	C₆H₅SH	Benzenethiol	phsh
1678	HO₂CCHNH₂CH₂OH	Serine	serine
1679	C₅H₈O₂	Acetylacetone	acac
1680	C₄H₈O₂S	Sulfolane	sulfolane
1681	C₇H₁₀	Norbornene	norbornene
1682	CH(C₂H₃)₃	trivinyl methane	tvm
1683	C₆H₁₀O	cyclohexanone	chexo
1684	C₆H₁₂O	hexanal	c6h12o
1685	C₆H₁₂O	Oxepane	oxepane
1686	C₃H₇OC₃H₇	di-n-propyl ether	propr
1687	F₂CCCF₂	tetrafluoroallene	pfa
1688	CF₃COO^-	trifluoro acetate anion	cf3coo-
1689	CF₃COF	trifluoroacetyl fluoride	cf3cof
1690	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1691	PF₆^-	Hexafluorophosphate ion	pf6-
1692	SF₆	Sulfur Hexafluoride	sf6
1693	SeF₆	Selenium hexafluoride	sef6
1694	SF₅Cl	sulfur chloropentafluoride	sf5cl
1695	CF₃CHF₂	pentafluoroethane	cf3chf2
1696	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1697	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1698	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1699	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1700	C₆H₅F	Fluorobenzene	bzf
1701	C₆H₅Cl	chlorobenzene	bzcl
1702	C₆H₅Br	bromobenzene	bzbr
1703	C₈H₆	Calicene	calicene
1704	C₆H₅CCH	phenylacetylene	phac
1705	C₈H₆	benzocyclobutadiene	bcbd
1706	C₈H₆	Pentalene	pentalene
1707	C₆H₅CHCH₂	Styrene	styrene
1708	C₈H₈	cubane	cubane
1709	C₈H₈	cyclooctatetraene	cot
1710	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1711	CH₃C₆H₄CH₃	meta-xylene	mxylene
1712	CH₃C₆H₄CH₃	paraxylene	pxylene
1713	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1714	C₈H₁₆	cyclooctane	cyclooct
1715	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1716	C₈H₁₈	Octane	c8h18
1717	C₆H₅CN	phenyl cyanide	phcn
1718	C₆H₁₂N₂	Triethylenediamine	ted
1719	C₄O₄^--	squarate dianion	c4o4--
1720	S₄N₄	Tetrasulfur tetranitride	s4n4
1721	S₈	Octasulfur	s8
1722	C₆H₄O₂	parabenzoquinone	pbq
1723	C₄H₄N₂O₂	Uracil	uracil
1724	C₆H₅OCH₃	Anisole	anisole
1725	C₅H₉NO₂	Proline	proline
1726	C₆H₁₂O₂	Methyl pivalate	c598981
1727	C₆H₁₂O₂	Hexanoic acid	hexa
1728	C₄F₄	tetrafluorcyclobutadiene	c4f4
1729	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1730	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1731	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1732	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1733	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1734	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1735	C₂F₆	hexafluoroethane	c2f6
1736	C₂Cl₆	hexachloroethane	c2cl6
1737	IF₇	Iodine heptafluoride	if7
1738	C₆H₄F₂	metadifluorobenzene	mdfb
1739	C₆H₄F₂	orthodifluorobenzene	odfb
1740	C₆H₄F₂	1,4-difluorobenzene	pdfb
1741	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1742	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1743	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1744	C₆H₅NO	nitrosobenzene	bzno
1745	C₉H₈	Indene	indene
1746	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1747	C₉H₁₂	n-propyl benzene	prbz
1748	C₉H₂₀	Nonane	nonane
1749	C(CN)₄	tetracyanomethane	c5n4
1750	C₅H₄N₄	purine	purine
1751	C₈H₇N	Indole	indole
1752	C₃H₃N₃O₃	cyanuric acid	cyanuric
1753	C₆H₅NO₂	Nitrobenzene	c6h5no2
1754	C₆H₅COOH	benzoic acid	benzo
1755	CH₃COC₆H₅	acetophenone	acph
1756	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1757	C₃F₆	hexafluoropropene	c3f6
1758	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1759	C₈H₁₈O	1-Octanol	octanol
1760	C₁₀H₈	Azulene	azu
1761	C₁₀H₈	naphthalene	naph
1762	C₁₀H₁₀	bullvalene	bullv
1763	C₁₀H₁₆	adamantane	adamantane
1764	C₆N₄	Tetracyanoethylene	tcne
1765	C₆N₄^-	tetracyanoethylene anion	tcne-
1766	C₁₀H₂₂	Decane	decane
1767	C₄F₆	perfluorobutadiene	c4f6
1768	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1769	C₃F₈	perfluoropropane	c3f8
1770	Fe(CO)₅	Iron pentacarbonyl	ipc
1771	Fe(C₅H₅)₂	ferrocene	fecp2
1772	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1773	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1774	C₁₂H₈	Acenaphthylene	acenaph
1775	C₁₂H₈	biphenylene	biph
1776	C₁₂H₁₀	biphenyl	biphenyl
1777	C₁₂H₁₀	Heptalene	heptalene
1778	C₆H₁₂O₆	Inositol	inositol
1779	C₆F₆	hexafluorobenzene	c6f6
1780	S₂F₁₀	disulphur decafluoride	s2f10
1781	C₁₃H₁₀	Fluorene	fluorene
1782	C₁₄H₁₀	Anthracene	anth
1783	C₁₄H₁₀	Phenanthrene	phenanthrene
1784	C₁₄H₁₄	Bibenzyl	bibenzyl
1785	C₁₂H₁₀N₂	azobenzene	azobenzene
1786	C₆H₅COC₆H₅	benzophenone	benzophenone
1787	C₁₆H₁₀	Pyrene	pyrene
1788	C₁₈H₁₂	Tetracene	tetracene
1789	C₁₉H₁₆	Triphenylmethane	tpm
1790	C₂₄H₁₂	Coronene	coronene
1791	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