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

List of which calculations are completed at QCISD(TQ)=FULL /aug-cc-pVTZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
3	He	Helium atom	¹S	K_h
4	He	Helium atom
5	Li^-	Lithium atom anion	¹S	K_h
6	LiH	Lithium Hydride	¹Σ	C_∞v
7	CuH	Copper monohydride	¹Σ	C_∞v
8	BeH	beryllium monohydride	²Σ	C_∞v
9	MgH	magnesium monohydride	²Σ	C_∞v
10	TiH	Titanium monohydride	⁴Φ	C_∞v
11	BeH₂⁺	Beryllium dihydride cation
12	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
13	Al	Aluminum atom	²P	K_h
14	Al^-	Aluminum atom anion	³P	K_h
15	Al⁺	Aluminum atom cation	¹S	K_h
16	Sc	Scandium atom	²D	K_h
17	Sc⁺	Scandium cation	³D	K_h
18	BH	Boron monohydride	¹Σ	C_∞v
19	BH	Boron monohydride	³Π	C_∞v
20	ScH	Scandium monohydride	¹Σ	C_∞v
21	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
22	BH₃⁺	boron trihydride cation	²B₂	C_2v
23	BH₃⁺	boron trihydride cation		C_2v
24	AlH₃	aluminum trihydride	¹A₁^'	D_3h
25	AlH₃^-	aluminum trihydride anion		C_3v
26	ScH₃	Scandium trihydride	¹A₁^'	D_3h
27	ScH₃	Scandium trihydride	¹A₁	C_3v
28	BH₄	borohydride	²B₂	C_2v
29	BH₄^-	borohydride anion	¹A₁	T_d
30	C	Carbon atom	³P₀	K_h
31	C^-	Carbon atom anion	²D	K_h
32	Si^-	Silicon atom anion	⁴S	K_h
33	SiH	Silylidyne	²Π	C_∞v
34	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
35	GeH	germylidene	²Π	C_∞v
36	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
37	CH₂	Methylene	³B₁	C_2v
38	CH₂	Methylene	³Σ_G	D_∞h
39	CH₂	Methylene	¹A₁	C_2v
40	CH₂^-	methylene anion	²B₁	C_2v
41	CH₂⁺	methylene cation	²A₁	C_2v
42	CH₂⁺	methylene cation	²Π	D_∞h
43	GeH₂	germylene	¹A₁	C_2v
44	CH₃	Methyl radical	²A₁	D_3h
45	CH₃^-	methyl anion	¹A₁	C_3v
46	CH₃⁺	methyl cation	¹A₁^'	D_3h
47	SiH₃	Silyl radical	²A₁	C_3v
48	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
49	CH₄	Methane	¹A₁	T_d
50	CH₄^-	Methane anion	²A₁	T_d
51	SiH₂D₂	silane-d2
52	SiH₄	Silane	¹A₁	T_d
53	SiH₅⁺	Silane, protonated
54	N	Nitrogen atom	⁴S	K_h
55	P	Phosphorus atom	⁴S	K_h
56	V	Vanadium atom	⁴F	K_h
57	V⁺	Vanadium atom cation	⁵D	K_h
58	As	Arsenic atomic	⁴S	K_h
59	As^-	Arsenic anion	³P	K_h
60	As⁺	Arsenic cation	³P	K_h
61	PH	phosphorus monohydride	³Σ^-	C_∞v
62	NH₂	Amino radical	²B₁	C_2v
63	NH₂⁺	Amino cation	³B₁	C_2v
64	NH₂⁺	Amino cation	¹A₁	C_2v
65	NH₃	Ammonia	¹A₁	C_3v
66	NH₃^-	Ammonia anion	²A₁	C_3v
67	NH₃⁺	ammonia cation	²A₂^"	D_3h
68	PH₃	Phosphine	¹A₁	C_3v
69	PH₃⁺	Phosphine cation	²A₁	C_3v
70	NH₄⁺	ammonium cation	¹A₁	T_d
71	PH₄	Phosphoranyl radical
72	PH₄⁺	phosphonium cation
73	S	Sulfur atom	³P	K_h
74	S^-	Sulfur atom anion	²P	K_h
75	S⁺	Sulfur atom cation	⁴S	K_h
76	OH	Hydroxyl radical	²Π	C_∞v
77	OH^-	hydroxide anion	¹Σ	C_∞v
78	OH⁺	hydoxyl cation	³Σ	C_∞v
79	HS	Mercapto radical	²Π	C_∞v
80	HS^-	mercapto anion	¹Σ	C_∞v
81	HS⁺	sulfur monohydride cation	³Σ	C_∞v
82	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
83	HSe⁺	selenium monohydride cation	³Σ	C_∞v
84	H₂O	Water	¹A₁	C_2v
85	H₂O^-	water anion	²A₁	C_2v
86	H₂O^-	water anion	²A^'	C_s
87	H₂O⁺	water cation	²B₁	C_2v
88	HDO	Water-d1	¹A₁	C_2v
89	H₂S	Hydrogen sulfide	¹A₁	C_2v
90	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
91	H₂Se	Hydrogen selenide	¹A₁	C_2v
92	H₃O⁺	hydronium cation	¹A₁	C_3v
93	H₃S⁺	Sulfonium cation	¹A₁	C_3v
94	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
95	F^-	Fluorine atom anion	¹S	K_h
96	F⁺	Fluorine atom cation	³S	K_h
97	F⁺	Fluorine atom cation	¹D	K_h
98	Cl	Chlorine atom	²P	K_h
99	Cl^-	Chlorine atom anion	¹S	K_h
100	Cl⁺	Chlorine atom cation	³P	K_h
101	Cl⁺	Chlorine atom cation	¹D	K_h
102	HF	Hydrogen fluoride	¹Σ	C_∞v
103	HCl⁺	hydrogen chloride cation	²Π	C_∞v
104	HBr	hydrogen bromide	¹Σ	C_∞v
105	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
106	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
107	Ne	Neon atom	¹S	K_h
108	Ne	Neon atom
109	Kr	Krypton atom	¹S	K_h
110	Kr⁺	Krypton cation	²P	K_h
111	ArH⁺	Argon hydride cation	¹Σ	C_∞v
112	KrH⁺	Protonated Krypton	¹Σ	C_∞v
113	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
114	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
115	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
116	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
117	BeMg	Beryllium Magnesium	¹Σ	C_∞v
118	LiB	Lithium boride	³Π	C_∞v
119	NaAl	Sodium aluminum	¹Σ	C_∞v
120	BeB	Beryllium monoboride	²Π	C_∞v
121	B₂	Boron diatomic	¹Σ_g	D_∞h
122	B₂	Boron diatomic	⁵Σ_u	D_∞h
123	B₂⁺	Boron diatomic cation	²Π	D_∞h
124	BAl	Boron Aluminum	³Σ	C_∞v
125	BGa	Boron Gallium	³Σ	C_∞v
126	AlGa	Aluminum Gallium	³Σ	C_∞v
127	AlGa	Aluminum Gallium	¹Σ	C_∞v
128	Ga₂	Gallium diatomic	³P_iu
129	HBBH	Diborane(2)	³Σ_G	D_∞h
130	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
131	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
132	B₂H₆	Diborane	¹A_g	D_2h
133	B₂H₆⁺	Diborane cation
134	Ga₂H₆	digallane	¹A_G	D_2h
135	BeC	Beryllium Carbide	³Σ^-	C_∞v
136	BeC	Beryllium Carbide
137	AlC	Aluminum carbide	⁴Σ	C_∞v
138	BSi	Boron silicide	⁴Σ	C_∞v
139	BSi	Boron silicide	²Σ	C_∞v
140	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
141	C₂	Carbon diatomic	³Σ_g^-
142	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
143	SiGe	Silicon Germanium
144	C₂H	Ethynyl radical	²Σ	C_∞v
145	C₂H^-	Ethynyl anion	¹Σ	C_∞v
146	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
147	H₂CC^-	vinylidene anion
148	CH₃Li	methyl lithium	¹A₁	C_3v
149	CH₂BH	methyleneborane	¹A₁	C_2v
150	C₂H₃	vinyl	²A^'	C_s
151	C₂H₃^-	vinyl anion	¹A^'	C_s
152	C₂H₄^-	Ethylene anion	²A_g	C_2h
153	C₂H₄⁺	Ethylene cation	²B₃	D₂
154	CH₃BH₂	methylborane	¹A^'	C_s
155	C₂H₅	Ethyl radical	²A^'	C_s
156	C₂H₆	Ethane	¹A_1g	D_3d
157	Si₂H₆	disilane	¹E_u	D_3d
158	LiP	Lithium monophosphide
159	LiP	Lithium monophosphide
160	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
161	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
162	MgN	Magnesium Nitride
163	BP	Boron monophosphide	³Π	C_∞v
164	BP	Boron monophosphide	¹Σ	C_∞v
165	AlP	Aluminum monophosphide	³Σ	C_∞v
166	AlP	Aluminum monophosphide	³Π	C_∞v
167	AlP	Aluminum monophosphide	¹Σ	C_∞v
168	GaP	Gallium monophosphide	³Σ	C_∞v
169	GaP	Gallium monophosphide	¹Σ	C_∞v
170	GaAs	Gallium arsenide	³Π
171	GaAs	Gallium arsenide	¹Σ
172	BN	boron nitride	³Π	C_∞v
173	BN	boron nitride	¹Σ	C_∞v
174	CN	Cyano radical	²Σ	C_∞v
175	CN^-	cyanide anion	¹Σ	C_∞v
176	SiP	Silicon monophosphide	²Π	C_∞v
177	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
178	HCN	Hydrogen cyanide	¹Σ	C_∞v
179	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
180	HNC⁺	hydrogen isocyanide cation
181	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
182	N₂H₂	(E)-diazene	¹A_g	C_2h
183	N₂H₂	(Z)-Diazene	¹A₁	C_2v
184	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
185	CH₂NH⁺	Methanimine cation
186	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
187	N₂H₄⁺	hydrazine cation	²A_G	C_2h
188	CH₃NH₂	methyl amine	¹A^'	C_s
189	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
190	BH₃NH₃	borane ammonia	¹A₁	C_3v
191	LiO	lithium oxide	²Σ	C_∞v
192	LiS	Lithium monosulfide	²Π	C_∞v
193	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
194	NaO	sodium monoxide	²Σ	C_∞v
195	NaS	Sodium sulfide	²Π	C_∞v
196	BO	boron monoxide	²Σ	C_∞v
197	CO	Carbon monoxide	¹Σ	C_∞v
198	CO^-	carbon monoxide anion	²Π	C_∞v
199	CO⁺	carbon monoxide cation	²Σ	C_∞v
200	TiO	Titanium monoxide	³Δ	C_∞v
201	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
202	GeS	Germanium monosulfide	¹Σ	C_∞v
203	SiSe	Silicon Monoselenide
204	SiSe⁺	Silicon Monoselenide cation
205	NO	Nitric oxide	²Π	C_∞v
206	NO^-	nitric oxide anion	³Σ	C_∞v
207	NO⁺	nitric oxide cation	¹Σ	C_∞v
208	NS	Mononitrogen monosulfide	²Π	C_∞v
209	PO	Phosphorus monoxide	²Π	C_∞v
210	PS	phosphorus sulfide	²Σ	C_∞v
211	VO	Vanadium monoxide	⁴Σ^-
212	NSe	Nitrogen monoselenide	²Π	C_∞v
213	AsS	Arsenic monosulfide	²Π	C_∞v
214	PSe	Phosphorus monoselenide	²Π	C_∞v
215	O₂	Oxygen diatomic	³Σ_g	D_∞h
216	O₂^-	oxygen diatomic anion	²Π	D_∞h
217	SO⁺	sulfur monoxide cation	²Π	C_∞v
218	S₂	Sulfur diatomic	³Σ_g	D_∞h
219	LiOH	lithium hydroxide	¹Σ	C_∞v
220	BeOH	beryllium monohydroxide	²Σ	C_∞v
221	HBO	Boron hydride oxide	¹Σ	C_∞v
222	COH	Hydroxymethylidyne
223	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
224	HCO^-	formyl anion	¹A^'	C_s
225	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
226	NOH	Hydroxyimidogen	³A^"	C_s
227	NOH⁺	O-protonated nitric oxide	²A^'	C_s
228	HO₂	Hydroperoxy radical	²A^"	C_s
229	HO₂⁺	Hydroperoxy cation	³A^"	C_s
230	HSO⁺	Sulfur Monoxide, S-protonated
231	SOH⁺	Sulfur Monoxide, protonated
232	H₂CO^-	formaldehyde anion	²A^'	C_s
233	H₂CO⁺	formaldehyde cation	²B₂	C_2v
234	H₂CS	Thioformaldehyde	¹A₁	C_2v
235	H₂NO	nitroxide	²B₁	C_2v
236	H₂NO	nitroxide	²A^'	C_s
237	H₂O₂	Hydrogen peroxide	¹A	C₂
238	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
239	H₂S₂	Disulfane	¹A	C₂
240	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
241	CH₂OH	Hydroxymethyl radical	²A	C₁
242	CH₃O⁺	Methoxy cation	³A₁	C_3v
243	NH₂OH	hydroxylamine	¹A^'	C_s
244	NH₂OH⁺	Hydroxylamine cation
245	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
246	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
247	CH₃SH	Methanethiol	¹A^'	C_s
248	CH₃SH⁺	Methanethiol cation	²A^"	C_s
249	H₂OH₂O	water dimer	¹A^'	C_s
250	LiCl	lithium chloride	¹Σ	C_∞v
251	NaF	sodium fluoride	¹Σ	C_∞v
252	NaCl	Sodium Chloride	¹Σ	C_∞v
253	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
254	ZnF	Zinc monofluoride	²Σ	C_∞v
255	ScF	Scandium monofluoride	¹Σ	C_∞v
256	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
257	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
258	CF	Fluoromethylidyne	²Π	C_∞v
259	SiF	silicon monofluoride	²Π	C_∞v
260	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
261	CBr	Carbon monobromide	²Π	C_∞v
262	NCl	nitrogen monochloride	³Σ	C_∞v
263	AsF	Arsenic monofluoride	³Σ	C_∞v
264	AsCl	Arsenic monochloride	³Σ	C_∞v
265	FO	Oxygen monofluoride	²Π	C_∞v
266	SF	Monosulfur monofluoride	²Π	C_∞v
267	SeF	Selenium monofluoride	²Π	C_∞v
268	SeCl	Selenium monochloride	²Π	C_∞v
269	F₂	Fluorine diatomic	¹Σ_g	D_∞h
270	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
271	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
272	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
273	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
274	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
275	HCF	Fluoromethylene	¹A^'	C_s
276	HCF	Fluoromethylene	³A^"	C_s
277	HOCl⁺	hypochlorous acid cation
278	ClFH⁺	Chlorine fluoride, F-protonated
279	FClH⁺	Chlorine fluoride, Cl-protonated
280	CH₂F	fluoromethyl radical	²A	C_s
281	CH₃F	Methyl fluoride	¹A₁	C_3v
282	CH₃Cl	Methyl chloride	¹A₁	C_3v
283	LiNe⁺	Lithium Neon cation
284	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
285	Ar₂	Argon diatomic	¹S_g	D_∞h
286	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
287	Li₃	Lithium trimer	²B₂	C_2v
288	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
289	C₃	carbon trimer	¹Σ_g	D_∞h
290	C₃	carbon trimer	¹A₁	C_2v
291	C₃H₃	cyclopropenyl radical	²A^'	C_s
292	C₃H₅	Allyl radical	²A^"	C_s
293	LiCN	lithium cyanide	¹Σ	C*V LiCN
294	LiCN	lithium cyanide	¹A^'	C_s
295	LiCN	lithium cyanide	¹Σ	C*V LiNC
296	NaCN	Sodium Cyanide	¹Σ	C_∞v
297	NaCN	Sodium Cyanide	¹A	C_s
298	N₃	azide radical	²Π_g	D_∞h
299	N₃⁺	azide cation	³Σ_g	D_∞h
300	N₃⁺	azide cation	³Σ	C_∞v
301	HCCN	cyanomethylene	³A^"	C_s
302	NH₂CN	cyanamide	¹A₁	C_2v
303	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
304	CH₂CHNH	vinylazine	²A^"	CS cis
305	Li₂O	dilithium oxide	¹Σ_g	D_∞h
306	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
307	Li₂S	dilithium sulfide	¹A₁	C_2v
308	Na₂O	disodium monoxide	¹Σ_g	Linear
309	CCO	Dicarbon monoxide	³Σ	C_∞v
310	CCO	Dicarbon monoxide	¹Π	C_∞v
311	NCO	isocyanato radical	²Π	C_∞v
312	N₂O	Nitrous oxide	¹Σ	C_∞v
313	N₂O^-	Nitrous oxide anion	²A^'	C_s
314	OCS	Carbonyl sulfide	¹Σ	C_∞v
315	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
316	NO₂	Nitrogen dioxide	²A₁	C_2v
317	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
318	O₃	Ozone	¹A₁	C_s
319	S₃	Sulfur trimer	¹A₁	C_2v
320	S₃⁺	Sulfur trimer cation	²B₂	C_2v
321	HCNO	fulminic acid	¹Σ	C_∞v
322	HCNO	fulminic acid	¹A^'	C_s
323	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
324	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
325	O₃H⁺	protonated ozone	¹A^'	C_s
326	H₂COO	Dioxymethyl radical	²A^'	C_s
327	HCOOH	Formic acid	¹A^'	C_s
328	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
329	BH₃CO	Borane carbonyl	¹A₁	C_3v
330	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
331	CH₃NO	nitrosomethane	¹A^'	C_s
332	CNF	iso cyanogen fluoride	¹Σ	C_∞v
333	FCO	Carbonyl fluoride	²A^'	C_s
334	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
335	ClCO	carbonyl monochloride	²A^'	C_s
336	BF₂	Boron difluoride radical	²A₁	C_2v
337	FSN	Thiazyl fluoride	¹A^'	C_s
338	CF₂	Difluoromethylene	¹A₁	D_∞h
339	OClO^-	Chlorine dioxide anion	¹A^'	C_s
340	HFCO⁺	formyl fluoride cation	²A^'	C_s
341	Li₃N	trilithium nitride	¹A^'	D_3h
342	C₂N₂	Cyanogen	¹Σ_g	D_∞h
343	C₄H₈	cyclobutane	¹A₁	D_2d
344	C₃O	Tricarbon monoxide	¹Σ	C_∞v
345	ONNO	NO dimer	¹A_g	trans C2H
346	NH₂CONH₂	Urea	¹A₁	C_2v
347	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
348	BrONO₂	Bromine nitrate	¹A^'	C_s
349	TiF₄	Titanium tetrafluoride	¹A₁	T_d
350	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
351	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h

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 anion	h-
5	H⁺	Hydrogen atom cation	h+
6	D₂	Deuterium diatomic	d2
7	H₂	Hydrogen diatomic	h2
8	H₂⁺	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H₃⁺	hydrogen trimer cation	h3+
11	He^-	Helium atom anion	he-
12	He⁺	Helium atom cation	he+
13	HeH	Helium hydride	heh
14	HeH⁺	Helium hydride cation	heh+
15	He₂⁺	helium diatomic cation	he2+
16	Li	Lithium atom	li
17	Li⁺	Lithium atom cation	li+
18	Na	Sodium atom	na
19	Na^-	Sodium atom anion	na-
20	Na⁺	Sodium atom cation	na+
21	K	Potassium atom	k
22	K^-	Potassium atom anion	k-
23	K⁺	Potassium atom cation	k+
24	Cu	Copper atom	cu
25	Cu^-	Copper atom anion	cu-
26	Cu⁺	Copper atom cation	cu+
27	LiH^-	lithium hydride anion	lih-
28	LiH⁺	lithium hydride cation	lih+
29	NaH	sodium hydride	nah
30	NaH^-	sodium hydride anion	nah-
31	NaH⁺	sodium hydride cation	nah+
32	KH	Potassium hydride	kh
33	KH⁺	Potassium hydrogen cation	kh+
34	Be	Beryllium atom	be
35	Be^-	Beryllium atom anion	be-
36	Be⁺	Beryllium atom cation	be+
37	Mg	Magnesium atom	mg
38	Mg^-	Magnesium atom anion	mg-
39	Mg⁺	Magnesium atom cation	mg+
40	Ca	Calcium atom	ca
41	Ca^-	Calcium atom anion	ca-
42	Ca⁺	Calcium atom cation	ca+
43	Zn	Zinc atom	zn
44	Zn^-	Zinc atom anion	zn-
45	Zn⁺	Zinc atom cation	zn+
46	BeH^-	berylium monohydride anion	beh-
47	BeH⁺	beryllium monohydride cation	beh+
48	MgH^-	magnesium monohydride anion	mgh-
49	MgH⁺	magnesium monohydride cation	mgh+
50	CaH	Calcium monohydride	cah
51	CaH⁺	Calcium monohydride cation	cah+
52	ZnH	Zinc monohydride	znh
53	ZnH⁺	Zinc, protonated	znh+
54	BeH₂	beryllium dihydride	beh2
55	CaH₂	Calcium Hydride	cah2
56	ZnH₂	Zinc hydride	znh2
57	B	Boron atom	b
58	B^-	Boron atom anion	b-
59	B⁺	Boron atom cation	b+
60	Ga	Gallium atom	ga
61	Ga^-	Gallium atom anion	ga-
62	Ga⁺	Gallium atom cation	ga+
63	BH^-	boron monohydride anion	bh-
64	BH⁺	boron monohydride cation	bh+
65	AlH	aluminum monohydride	alh
66	AlH^-	aluminum monohydride anion	alh-
67	AlH⁺	aluminum monohydride cation	alh+
68	ScH⁺	Scandium monohydride cation	sch+
69	GaH	Gallium monohydride	gah
70	BH₂	boron dihydride	bh2
71	BH₂^-	boron dihydride anion	bh2-
72	BH₂⁺	Boron dihydride cation	bh2+
73	AlH₂	aluminum dihydride	alh2
74	AlH₂^-	aluminum dihydride anion	alh2-
75	AlH₂⁺	aluminum dihydride cation	alh2+
76	BH₃	boron trihydride	bh3
77	BH₃^-	boron trihydride anion	bh3-
78	AlH₃⁺	aluminum trihydride cation	alh3+
79	GaH₃	Gallium trihydride	gah3
80	AlH₄^-	Aluminum tetrahydride anion	alh4-
81	C^-	Carbon atom anion	c-
82	C⁺	Carbon atom cation	c+
83	Si	Silicon atom	si
84	Si⁺	Silicon atom cation	si+
85	Ti	Titanium atom	ti
86	Ti^-	Titanium atom anion	ti-
87	Ti⁺	Titanium atom cation	ti+
88	Ge	Germanium atom	ge
89	Ge^-	Germanium anion	ge-
90	Ge⁺	Germanium cation	ge+
91	Sn	Tin atom	sn
92	Sn⁺	Tin cation	sn+
93	CH	Methylidyne	ch
94	CH^-	methylidyne anion	ch-
95	CH⁺	Methylidyne cation	ch+
96	SiH^-	silicon monohydride anion	sih-
97	SiH₂	silicon dihydride	sih2
98	SiH₂^-	silicon dihydride anion	sih2-
99	SiH₂⁺	silicon dihydride cation	sih2+
100	GeH₂^-	germylene anion	geh2-
101	SiH₃^-	Silyl anion	sih3-
102	GeH₃	Germyl radical	geh3
103	GeH₃⁺	germyl cation	geh3+
104	CD₄	methane-d4	cd4
105	CH₂D₂	methane-d2	ch2d2
106	CH₃D	methane-d	ch3d
107	CH₄⁺	Methane cation	ch4+
108	CHD₃	methane-d3	chd3
109	SiH₄⁺	Silane cation	sih4+
110	GeH₄	Germane	geh4
111	SnH₄	Stannane	snh4
112	N^-	Nitrogen atom anion	n-
113	N⁺	Nitrogen atom cation	n+
114	P^-	Phosphorus atom anion	p-
115	P⁺	Phosphorus atom cation	p+
116	Sb	Antimony atom	sb
117	NH	Imidogen	nh
118	NH^-	Imidogen anion	nh-
119	NH⁺	imidogen cation	nh+
120	PH^-	phosphorus monohydride anion	ph-
121	PH⁺	phosphorus monohydride cation	ph+
122	AsH	Arsenic monohydride	ash
123	AsH⁺	Arsenic monohydride cation	ash+
124	SbH	Antimony monohydride	sbh
125	ND₂	Amidogen-d2	nd2
126	NH₂^-	amino anion	nh2-
127	PH₂	Phosphino radical	ph2
128	PH₂^-	Phosphino anion	ph2-
129	PH₂⁺	Phosphino cation	ph2+
130	AsH₂	Arsenic dihydride	ash2
131	AsH₂⁺	Arsenic dihydride cation	ash2+
132	ND₃	Ammonia-d3	nd3
133	AsH₃	Arsine	ash3
134	AsH₃⁺	Arsine cation	ash3+
135	SbH₃	Stibine	sbh3
136	AsH₄⁺	Arsonium	ash4+
137	NH₄	Ammonium radical	nh4
138	O	Oxygen atom	o
139	O^-	Oxygen atom anion	o-
140	O⁺	Oxygen atom cation	o+
141	Cr	Chromium atom	cr
142	Se	Selenium atom	se
143	Se^-	Selenium atom anion	se-
144	Se⁺	Selenium atom cation	se+
145	Te	Tellurium atom	te
146	Te⁺	Tellurium atom cation	te+
147	DO	Hydroxyl-d	od
148	DS	Mercapto-d	ds
149	CrH	Chromium hydride	crh
150	HSe	Selenium monohydride	hse
151	HSe^-	selenium monohydride anion	hse-
152	TeH	Telluryl radical	teh
153	D₂O	Deuterium oxide	d2o
154	D₂S	Hydrogen sulfide-d2	d2s
155	H₂S^-	Hydrogen sulfide anion	h2s-
156	H₂Se⁺	Hydrogen selenide cation	h2se+
157	H₂Te	Hydrogen Telluride	h2te
158	F	Fluorine atom	f
159	Mn	Manganese atom	mn
160	Br	Bromine atom	br
161	Br^-	Bromine atom anion	br-
162	Br⁺	Bromine atom cation	br+
163	I	Iodine atom	iodine
164	I^-	Iodine atom anion	iodine-
165	I⁺	Iodine atom cation	iodine+
166	DF	Hydrofluoric acid-d	df
167	HF^-	hydrogen fluoride anion	hf-
168	HF⁺	hydrogen fluoride cation	hf+
169	DCl	Hydrochloric acid-d	dcl
170	HCl	Hydrogen chloride	hcl
171	HCl^-	hydrogen chloride anion	hcl-
172	HBr^-	hydrogen bromide anion	hbr-
173	HBr⁺	hydrogen bromide cation	hbr+
174	HI	Hydrogen iodide	hi
175	HI⁺	Hydrogen iodide cation	hi+
176	H₂F⁺	dihydrogen fluoride cation	h2f+
177	H₂I⁺	Iodonium	h2i+
178	Ne^-	Neon atom anion	ne-
179	Ne⁺	Neon atom cation	ne+
180	Ar	Argon atom	ar
181	Ar^-	Argon atom anion	ar-
182	Ar⁺	Argon atom cation	ar+
183	Fe	Iron atom	fe
184	Xe	Xenon atom	xe
185	HeLi⁺	Helium Lithium cation	heli+
186	NeH	neon hydrogen	neh
187	NeH⁺	neon hydrogen cation	neh+
188	XeH⁺	Xenon, protonated	xeh+
189	Co	Cobalt atom	cobalt
190	Ni	Nickel atom	ni
191	Li₂	Lithium diatomic	li2
192	Li₂^-	lithium diatomic anion	li2-
193	Li₂⁺	lithium diatomic cation	li2+
194	NaLi	lithium sodium	lina
195	NaLi^-	lithium sodium anion	lina-
196	NaLi⁺	lithium sodium cation	lina+
197	LiK	Lithium Potassium	lik
198	Na₂	Sodium diatomic	na2
199	NaK	Sodium Potassium	nak
200	NaK⁺	Sodium Potassium diatomic cation	nak+
201	K₂	Potassium diatomic	k2
202	Cu₂	Copper diatomic	cu2
203	LiBe	Lithium Beryllium	libe
204	LiMg	Lithium magnesium	limg
205	NaBe	Sodium Beryllium	nabe
206	NaMg	Sodium Magnesium	namg
207	Be₂^-	Beryllium diatomic anion	be2-
208	Be₂⁺	Beryllium diatomic cation	be2+
209	Mg₂	Magnesium diatomic	mg2
210	Mg₂^-	magnesium diatomic anion	mg2-
211	Mg₂⁺	magnesium diatomic cation	mg2+
212	Ca₂	Calcium diatomic	ca2
213	LiAl	Lithium Aluminum	lial
214	B₂	Boron diatomic	b2
215	B₂^-	Boron diatomic anion	b2-
216	Al₂	Aluminum diatomic	al2
217	Al₂^-	aluminum diatomic anion	al2-
218	Al₂⁺	aluminum diatomic cation	al2+
219	LiBH₄	Lithium borohydride	libh4
220	Al₂H₆	dialane	al2h6
221	LiC	Lithium Carbide	lic
222	CaC	Calcium monocarbide	cac
223	BC	boron monocarbide	bc
224	BC^-	boron monocarbide anion	bc-
225	BC⁺	boron monocarbide cation	bc+
226	C₂^-	carbon diatomic anion	c2-
227	SiC	silicon monocarbide	sic
228	SiC^-	silicon monocarbide anion	sic-
229	SiC⁺	silicon monocarbide cation	sic+
230	Si₂	Silicon diatomic	si2
231	Si₂^-	silcon diatomic anion	si2-
232	Si₂⁺	silcon diatomic cation	si2+
233	GeC	Germanium monocarbide	gec
234	Ge₂	Germanium diatomic	ge2
235	C₂H⁺	Ethynyl cation	c2h+
236	ZnCH₂	Zinc methylene	znch2
237	C₂H₂	Acetylene	c2h2
238	CCH₂	vinylidene	vinylidene
239	HCCH^-	acetylene anion	c2h2-
240	Si₂H₂	disilyne	si2h2
241	CuCH₃	monomethyl copper	cuch3
242	ZnCH₃	Zinc monomethyl	znch3
243	C₂H₃⁺	vinyl cation	c2h3+
244	C₂H₄	Ethylene	c2h4
245	CH₃CH	methylmethylene	ch3ch
246	CH₂SiH₂	silaethylene	ch2sih2
247	Si₂H₄	Disilene	si2h4
248	C₂H₅^-	Ethyl anion	c2h5-
249	C₂H₅⁺	Ethyl cation	c2h5+
250	C₂H₆⁺	ethane cation	c2h6+
251	CH₃SiH₃	methyl silane	ch3sih3
252	GeH₃CH₃	methyl germane	geh3ch3
253	C₂H₇⁺	Ethane, protonated	c2h7+
254	LiN	Lithium Nitride	lin
255	LiN⁺	Lithium Nitride cation	lin+
256	BeN	Beryllium mononitride	ben
257	BeN^-	Beryllium mononitride anion	ben-
258	MgN	Magnesium Nitride	mgn
259	BN^-	boron nitride anion	bn-
260	AlN^-	aluminum mononitride anion	aln-
261	AlN⁺	aluminum mononitride cation	aln+
262	GaN	Gallium mononitride	gan
263	BN⁺	boron nitride cation	bn+
264	AlN	Aluminum nitride	aln
265	CN⁺	Cyano cation	cn+
266	CP	Carbon monophosphide	cp
267	CP^-	carbon monophosphide anion	cp-
268	CP⁺	carbon monophosphide cation	cp+
269	SiN	Silicon nitride	sin
270	SiN^-	silicon mononitride anion	sin-
271	SiN⁺	silicon mononitride cation	sin+
272	SiP^-	Silicon monophosphide anion	sip-
273	SiP⁺	Silicon monophosphide cation	sip+
274	TiN	Titanium mononitride	tin
275	N₂	Nitrogen diatomic	n2
276	N₂⁺	diatomic nitrogen cation	n2+
277	PN	Phosphorus mononitride	pn
278	PN^-	phosphorus nitride anion	pn-
279	PN⁺	phosphorus nitride cation	pn+
280	P₂	Phosphorus diatomic	p2
281	P₂^-	phosphorus diatomic anion	p2-
282	P₂⁺	phosphorus diatomic cation	p2+
283	AsN	Arsenic mononitride	asn
284	AsP	Arsenic monophosphide	asp
285	SbN	Antimony nitride	sbn
286	As₂	Arsenic diatomic	as2
287	HNB	hydrogen nitrogen boron	hnb
288	HNC	hydrogen isocyanide	hnc
289	HCN^-	Hydrogen cyanide anion	hcn-
290	HCP	Phosphaethyne	hcp
291	HCP⁺	Phosphaethyne cation	hcp+
292	NNH	Dinitrogen monohydride	nnh
293	HPO	Hydrogen phosphorus oxide	hpo
294	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
295	LiNH₂	lithium amide	linh2
296	HBNH	Boranimine	hbnh
297	CNH₂	Aminomethylidyne radical	cnh2
298	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
299	H₂CN	Dihydrogen cyanide radical	h2cn
300	H₂CN⁺	hydrocyanonium cation	h2cn+
301	HCNH	methyleneazane	hcnh
302	HCNH⁺	N-protonated HCN	hcnh+
303	H₂NN	Isodiazene	h2nn
304	CH₂NH	Methanimine	ch3n
305	CHNH₂	aminomethylene	chnh2
306	CHNH₂⁺	Aminocarbene cation	chnh2+
307	CH₂PH	Phosphaethene	ch3p
308	BH₂NH₂	Boranamine	bh2nh2
309	N₂H₄	Hydrazine	n2h4
310	P₂H₄	Diphosphine	p2h4
311	CH₃PH₂	Methyl phosphine	ch3ph2
312	SiH₃NH₂	Silane, amino	sih3nh2
313	N₂H₅⁺	protonated hydrazine	n2h5+
314	BH₃PH₃	borane phosphine	bh3ph3
315	CH₃NH₃	methyl ammonium radical	ch3nh3
316	CH₃NH₃⁺	protonated methylamine	ch3nh3+
317	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
318	NH₃NH₃	Ammonia Dimer	nh3nh3
319	N₂H₇⁺	ammonia ammonium dimer	n2h7+
320	LiO^-	lithium oxide anion	lio-
321	LiO⁺	lithium oxide cation	lio+
322	NaO^-	sodium oxide anion	nao-
323	NaO⁺	sodium oxide cation	nao+
324	KO	Potassium monoxide	ko
325	KO⁺	Potassium monoxide cation	ko+
326	CuO	Copper Monoxide	cuo
327	LiSe	Lithium monoselenide	lise
328	BeO	beryllium oxide	beo
329	BeO^-	Beryllium monoxide anion	beo-
330	BeO⁺	Beryllium monoxide cation	beo+
331	BeS	beryllium sulfide	bes
332	MgO	magnesium oxide	mgo
333	MgO^-	magnesium oxide anion	mgo-
334	MgO⁺	magnesium oxide cation	mgo+
335	CaO	Calcium monoxide	cao
336	MgS	magnesium sulfide	mgs
337	MgS^-	magnesium sulfide anion	mgs-
338	MgS⁺	magnesium sulfide cation	mgs+
339	CaS	Calcium sulfide	cas
340	ZnO	zinc monoxide	zno
341	ZnS	Zinc sulfide	zns
342	BeS^-	Beryllium monosulfide anion	bes-
343	BeS⁺	Beryllium monosulfide cation	bes+
344	BO^-	boron monoxide anion	bo-
345	AlO	Aluminum monoxide	alo
346	AlO^-	Aluminum monoxide anion	alo-
347	AlO⁺	aluminum monoxide cation	alo+
348	BS	boron sulfide	bs
349	BS^-	boron monosulfide anion	bs-
350	BS⁺	boron monosulfide cation	bs+
351	AlS	Aluminum sulfide	als
352	AlS^-	aluminum monosulfide anion	als-
353	AlS⁺	aluminum monosulfide cation	als+
354	ScO	Scandium monoxide	sco
355	GaO	Gallium monoxide	gao
356	GaS	Gallium monosulfide	gas
357	BO⁺	boron monoxide cation	bo+
358	CS	carbon monosulfide	cs
359	CS^-	carbon monosulfide anion	cs-
360	CS⁺	carbon monosulfide cation	cs+
361	SiO	Silicon monoxide	sio
362	SiO^-	silicon monoxide anion	sio-
363	SiO⁺	silicon monoxide cation	sio+
364	SiS	silicon monosulfide	sis
365	SiS^-	silicon monosulfide anion	sis-
366	SiS⁺	silicon monosulfide cation	sis+
367	CSe	Carbon monoselenide	cse
368	CSe^-	Carbon monoselenide anion	cse-
369	CSe⁺	Carbon monoselenide cation	cse+
370	GeO	Germanium monoxide	geo
371	GeSe	Germanium monoselenide	gese
372	NS^-	nitrogen sulfide anion	ns-
373	NS⁺	nitrogen sulfide cation	ns+
374	PO^-	phosphorus monoxide anion	po-
375	PO⁺	phosphorus monoxide cation	po+
376	PS^-	phosphorus monosulfide anion	ps-
377	PS⁺	phosphorus monosulfide cation	ps+
378	AsO	Arsenic monoxide	aso
379	AsSe	Arsenic monoselenide	asse
380	O₂^--	dioxygen dianion	o2--
381	O₂⁺	diatomic oxygen cation	o2+
382	SO	Sulfur monoxide	so
383	SO^-	sulfur monoxide anion	so-
384	S₂^-	sulfur diatomic anion	s2-
385	S₂⁺	sulfur diatomic cation	s2+
386	SeO	Selenium monoxide	seo
387	SeO^-	selenium monoxide anion	seo-
388	SeO⁺	selenium monoxide cation	seo+
389	SeS	Selenium monosulfide	ses
390	SeS^-	selenium monosulfide anion	ses-
391	SeS⁺	selenium monosulfide cation	ses+
392	TeO	Tellurium monoxide	teo
393	Se₂	Selenium diatomic	se2
394	Se₂^-	selenium diatomic anion	se2-
395	Se₂⁺	selenium diatomic cation	se2+
396	Te₂	Tellurium diatomic	te2
397	NaOH	sodium hydroxide	naoh
398	KOH	Potassium hydroxide	koh
399	MgOH	magnesium hydroxide	mgoh
400	CaOH	Calcium monohydroxide	caoh
401	HBS	hydrogen boron sulfide	hbs
402	HCO	Formyl radical	hco
403	HCO⁺	Formyl cation	hco+
404	HCS	Thioformyl radical	hcs
405	HCS^-	Thioformyl anion	hcs-
406	HCS⁺	Thioformyl cation	hcs+
407	HNO	Nitrosyl hydride	hno
408	HNO^-	Nitrosyl hydride anion	hno-
409	HNS	Sulfur imide	hns
410	HNS^-	Sulfur imide anion	hns-
411	HO₂^-	Hydroperoxy anion	ho2-
412	SOH	Sulfur Hydroxide	soh
413	HS₂	Thiosulfeno radical	hs2
414	H₂CO	Formaldehyde	h2co
415	HOCH	hydroxycarbene	hoch
416	H₂CS^-	thioformaldehyde anion	h2cs-
417	H₂CS⁺	thioformaldehyde cation	h2cs+
418	H₂CSe	Selenoformaldehyde	h2cse
419	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
420	H₂OO	water oxide	h2oo
421	HOSH	hydrogen thioperoxide	hosh
422	H₂Se₂	hydrogen diselenide	h2se2
423	CH₂OH⁺	hydroxymethyl cation	ch2oh+
424	CH₃O	Methoxy radical	ch3o
425	CH₃O^-	methoxy anion	ch3o-
426	CH₃S	thiomethoxy	ch3s
427	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
428	NH₃O	Ammonia Oxide	nh3o
429	H₂POH	Phosphinous acid	h2poh
430	H₃PO	Phosphine oxide	h3po
431	NH₂SH	Thiohydroxylamine	nh2sh
432	NH₃S	sulfidoazane	nh3s
433	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
434	CH₃OH	Methyl alcohol	ch3oh
435	CH₃OH⁺	Methyl alcohol cation	ch3oh+
436	SiH₃OH	silanol	sih3oh
437	CH₃SeH	Methane selenol	ch3seh
438	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
439	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
440	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
441	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
442	H₂ONH₃	Water Ammonia Dimer	h2onh3
443	H₅O₂⁺	Dihydroxonium ion	h5o2+
444	LiF	lithium fluoride	lif
445	LiCl^-	lithium chloride anion	licl-
446	LiCl⁺	lithium chloride cation	licl+
447	NaF^-	sodium fluoride anion	naf-
448	NaF⁺	sodium fluoride cation	naf+
449	KF	Potassium Fluoride	kf
450	NaCl^-	sodium chloride anion	nacl-
451	NaCl⁺	sodium chloride cation	nacl+
452	KCl	Potassium Chloride	kcl
453	CuF	Copper monofluoride	cuf
454	LiBr	Lithium Bromide	libr
455	LiBr^-	lithium bromide anion	libr-
456	LiBr⁺	lithium bromide cation	libr+
457	CuCl	Copper monochloride	cucl
458	NaBr	Sodium Bromide	nabr
459	NaBr^-	sodium bromide anion	nabr-
460	NaBr⁺	sodium bromide cation	nabr+
461	KBr	Potassium Bromide	kbr
462	LiI	Lithium Iodide	lii
463	NaI	Sodium Iodide	nai
464	KI	Potassium Iodide	ki
465	LiF^-	lithium fluoride anion	lif-
466	LiF⁺	lithium fluoride cation	lif+
467	BeF	Beryllium monofluoride	bef
468	BeF^-	Beryllium monofluoride anion	bef-
469	BeF⁺	Beryllium monofluoride cation	bef+
470	BeCl	beryllium monochloride	becl
471	MgF	Magnesium monofluoride	mgf
472	MgF^-	magnesium fluoride anion	mgf-
473	CaF	Calcium monofluoride	caf
474	MgCl	magnesium monochloride	mgcl
475	MgCl^-	magnesium monochloride anion	mgcl-
476	MgCl⁺	magnesium monochloride cation	mgcl+
477	CaCl	calcium monochloride	cacl
478	TiCl	Titanium Monochloride	ticl
479	ZnF^-	Zinc monofluoride anion	znf-
480	ZnF⁺	Zinc monofluoride cation	znf+
481	ZnCl	Zinc monochloride	zncl
482	CaBr	Calcium monobromide	cabr
483	BeCl^-	beryllium monochloride anion	becl-
484	BeCl⁺	beryllium monochloride cation	becl+
485	BF	Boron monofluoride	bf
486	BF^-	Boron monofluoride anion	bf-
487	BF⁺	Boron monofluoride cation	bf+
488	AlF	Aluminum monofluoride	alf
489	AlF^-	Aluminum monofluoride anion	alf-
490	AlF⁺	Aluminum monofluoride cation	alf+
491	BCl	boron monochloride	bcl
492	BCl^-	boron monochloride anion	bcl-
493	BCl⁺	boron monochloride cation	bcl+
494	AlCl	Aluminum monochloride	alcl
495	AlCl^-	aluminum monochloride anion	alcl-
496	AlCl⁺	aluminum monochloride cation	alcl+
497	BBr	Boron monobromide	bbr
498	GaF	Gallium monofluoride	gaf
499	AlBr	Aluminum monobromide	albr
500	GaCl	Gallium monochloride	gacl
501	AlI	Aluminum monoiodide	ali
502	GaBr	Gallium monobromide	gabr
503	CF^-	carbon monofluoride anion	cf-
504	CF⁺	carbon monofluoride cation	cf+
505	CCl	carbon monochloride	ccl
506	CCl^-	carbon monochloride anion	ccl-
507	CCl⁺	carbon monochloride cation	ccl+
508	SiF^-	silicon monofluoride anion	sif-
509	SiCl	Clorosilylidyne	sicl
510	SiCl^-	silicon monochloride anion	sicl-
511	SiCl⁺	silicon monochloride cation	sicl+
512	GeF	Germanium monofluoride	gef
513	GeF⁺	Germanium monofluoride cation	gef+
514	GeCl	Germanium monochloride	gecl
515	GeCl⁺	Germanium monochloride cation	gecl+
516	SiBr	Silicon monobromide	sibr
517	SiBr⁺	Silicon monobromide cation	sibr+
518	NF	nitrogen fluoride	nf
519	NF^-	nitrogen monofluorine anion	nf-
520	NF⁺	nitrogen monofluoirde cation	nf+
521	NCl^-	nitrogen monochloride anion	ncl-
522	NCl⁺	nitrogen monochloride cation	ncl+
523	PF	phosphorus monofluoride	pf
524	PF^-	phosphorus monofluoride anion	pf-
525	PF⁺	phosphorus monofluoride cation	pf+
526	PCl	phosphorus chloride	pcl
527	PCl^-	phosphorus monochloride anion	pcl-
528	PCl⁺	phosphorus monochloride cation	pcl+
529	NBr	nitrogen monobromide	nbr
530	PBr	Phosphorus monobromide	pbr
531	SbF	Antimony monofluoride	sbf
532	SbCl	Antimony monochloride	sbcl
533	FO^-	flourine oxide anion	fo-
534	FO⁺	fluorine monoxide cation	fo+
535	ClO	Monochlorine monoxide	clo
536	ClO^-	chlorine monoxide anion	clo-
537	ClO⁺	chlorine monoxide cation	clo+
538	SF^-	sulfur monofluoride anion	sf-
539	SF⁺	sulfur monofluoride cation	sf+
540	SCl	sulfur monochloride	scl
541	SCl^-	sulfur monochloride anion	scl-
542	SCl⁺	sulfur monochloride cation	scl+
543	BrO	Bromine monoxide	bro
544	BrO^-	Bromine monoxide anion	bro-
545	BrO⁺	Bromine monoxide cation	bro+
546	SBr	Sulfur monobromide radical	sbr
547	SBr⁺	Sulfur monobromide cation	sbr+
548	IO	Iodine monoxide	io
549	SeBr	Selenium monobromide	sebr
550	BrCl	Bromine monochloride	brcl
551	ClF^-	clorine monofluoride anion	clf-
552	ClF⁺	clorine monofluoride cation	clf+
553	Cl₂^-	chlorine diatomic anion	cl2-
554	BrF	Bromine monofluoride	brf
555	BrF^-	bromine fluoride anion	brf-
556	BrF⁺	bromine fluoride cation	brf+
557	BrCl^-	bromine chloride anion	brcl-
558	BrCl⁺	bromine chloride cation	brcl+
559	IF	Iodine monofluoride	if
560	Br₂	Bromine diatomic	br2
561	Br₂^-	bromine diatomic anion	br2-
562	Br₂⁺	bromine diatomic cation	br2+
563	ICl	Iodine monochloride	icl
564	IBr	Iodine monobromide	ibr
565	I₂	Iodine diatomic	i2
566	I₂⁺	Iodine diatomic cation	i2+
567	HCCl	Chloromethylene	hccl
568	HSiF	fluorosilylene	hsif
569	HSiCl	Chlorosilylene	hsicl
570	HSiBr	monobromosilylene	hsibr
571	CHBr	bromomethylene	chbr
572	HOF	Hypofluorous acid	hfo
573	DOCl	Hypochlorous acid-d	docl
574	HOCl	hypochlorous acid	hocl
575	HOBr	Hypobromous acid	hobr
576	HOBr⁺	Hypobromous acid cation	hobr+
577	HOI	Hypoiodous acid	hoi
578	F₂H⁺	Fluorine, protonated	f2h+
579	FHF	Hydrogen difluoride	fhf
580	FHF^-	Hydrogen difluoride anion	fhf-
581	Cl₂H⁺	Chlorine, protonated	cl2h+
582	CH₂Br	bromomethyl radical	ch2br
583	CH₂F⁺	fluoromethyl cation	ch2f+
584	CH₂Cl⁺	chloromethyl cation	ch2cl+
585	CH₂Cl	chloromethyl radical	ch2cl
586	NH₂F	monofluoroamine	nh2f
587	NH₂Cl	chloramine	nh2cl
588	H₂F₂	Hydrogen fluoride dimer	h2f2
589	CH₃F⁺	methyl fluoride cation	ch3f+
590	CD₃F	methylfluoride-d3	cd3f
591	CD₃Cl	methyl chloride d3	cd3cl
592	CH₃Cl⁺	Methyl chloride cation	ch3cl+
593	SiH₃F	monofluorosilane	sih3f
594	SiH₃Cl	chlorosilane	sih3cl
595	CH₃Br	methyl bromide	ch3br
596	GeH₃F	monofluorogermane	geh3f
597	GeH₃Cl	monochlorogermane	geh3cl
598	SiH₃Br	bromosilane	sih3br
599	CH₃I	methyl iodide	ch3i
600	SiH₃I	Silyl Iodide	sih3i
601	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
602	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
603	NH₄Cl	Ammonium chloride	nh4cl
604	Ne₂	Neon diatomic	ne2
605	C₃⁺	carbon trimer cation	c3+
606	SiC₂	Silicon dicarbide	sic2
607	C₃H₃	Propargyl radical	propargyl
608	C₃H₃^-	Propargyl anion	c3h3-
609	C₃H₃⁺	cyclopropenyl cation	cpr+
610	C₃H₃⁺	Propargyl cation	c3h3+
611	C₃H₄	cyclopropene	cprop
612	CH₂CCH₂	allene	allene
613	CH₃CCH	propyne	propyne
614	C₃H₅⁺	Allyl cation	allyl+
615	CH₃CHCH	1-propenyl radical	ch3chch
616	Zn(CH₃)₂	dimethyl zinc	dmz
617	C₃H₆	Cyclopropane	c3h6
618	CH₂CHCH₃	Propene	propene
619	C₃H₇	n-Propyl radical	npropyl
620	C₃H₇⁺	cyclopropane, protonated	c3h7+
621	CH₃CHCH₃	Isopropyl radical	isopropyl
622	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
623	C₃H₈	Propane	propane
624	SiH₂(CH₃)₂	dimethylsilane	dms
625	Si₃H₈	trisilane	si3h8
626	KCN	Potassium cyanide	kcn
627	CuCN	Copper cyanide	cucn
628	ZnCN	Zinc monocyanide	zncn
629	ZnNC	Zinc isocyanide	znnc
630	AlCN	Aluminum monocyanide	alcn
631	AlNC	Aluminum isocyanide	alnc
632	CN₂	3H-Diazirin-3-ylidene	cn2
633	CNN	Diazocarbene	cnn
634	NCN	Cyanoimidogen	ncn
635	N₃^-	azide anion	n3-
636	HCNN	diazomethyl radical	hcnn
637	HN₃	hydrogen azide	hn3
638	HN₃⁺	Hydrazoic acid cation	hn3+
639	HNCNH	diiminomethane	hncnh
640	CH₂N₂	diazirine	ch2n2
641	CH₂NN	diazomethane	ch2nn
642	HNNNH⁺	1,2-Triazadienium	n2h3+
643	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
644	CH₃CN	Acetonitrile	ch3cn
645	CH₃CN^-	acetonitrile anion	ch3cn-
646	CH₃CN⁺	Acetonitrile cation	ch3cn+
647	CH₃NC	methyl isocyanide	ch3nc
648	CHNCH₂	2H-Azirine	c157164
649	CHNHCH	1H-Azirine	chnhch
650	H₂CCNH	Ethenimine	ch2cnh
651	H₂CNCH	methyleneaminomethylene	ch2nch
652	HCCNH₂	Ethynamine	hccnh2
653	HCNCH₂⁺	2H-Azirine cation	hcnch2+
654	NCNH₃⁺	Cyanamide, protonated	ncnh3+
655	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
656	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
657	CH₃CHN	methylmethaniminyl radical	ch3chn
658	NHCHNH₂	aminomethanimine	cn2h4
659	C₂H₅N	Aziridine	c2h5n
660	CH₂CHNH₂	aminoethene	aminoethene
661	CH₂NCH₃	N-methylmethanimine	nmm
662	CH₃CHNH	ethanimine	ethanimine
663	NH₂BHNH₂	diaminoborane	nh2bhnh2
664	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
665	C₂H₆N⁺	aziridine, protonated	c2h6n+
666	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
667	CH₃CH₂NH₂	Ethylamine	etam
668	CH₃NHCH₃	Dimethylamine	ch3nhch3
669	CH₃PHCH₃	dimethylphosphine	ch3phch3
670	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
671	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
672	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
673	Li₂O⁺	dilithium oxide cation	li2o+
674	Na₂S	Sodium sulfide	na2s
675	LiO₂	Lithium dioxide	lio2
676	NaO₂	Sodium superoxide	nao2
677	CNO^-	fulminate	cno-
678	NCO^-	cyanate	nco-
679	SCN	thiocyanato radical	scn
680	SCN^-	thiocyanide anion	scn-
681	BO₂	Boron dioxide	bo2
682	BO₂^-	Boron dioxide anion	bo2-
683	BO₂⁺	Boron dioxide cation	bo2+
684	N₂O⁺	Nitrous oxide cation	n2o+
685	NNS	Nitrogen sulfide	nns
686	PPO	Phosphorus oxide phosphide	ppo
687	CO₂	Carbon dioxide	co2
688	CO₂^-	Carbon dioxide anion	co2-
689	CO₂⁺	Carbon dioxide cation	co2+
690	OCS⁺	Carbonyl sulfide cation	cos+
691	SiO₂	silicon dioxide	sio2
692	CS₂	Carbon disulfide	cs2
693	CS₂^-	Carbon disulfide anion	cs2-
694	CS₂⁺	Carbon disulfide cation	cs2+
695	TiO₂	Titanium dioxide	tio2
696	GeO₂	Germanium dioxide	geo2
697	OCSe	Carbonyl selenide	ocse
698	SCSe	Carbon sulfide selenide	scse
699	GeS₂	Germanium disulfide	ges2
700	CSe₂	Carbon diselenide	cse2
701	SCTe	Carbon sulfide Telluride	scte
702	NO₂^-	Nitrogen dioxide anion	no2-
703	NSO	sulfinyl amidogen	NSO
704	PO₂	Phosphorus dioxide	po2
705	PO₂^-	Phosphorus dioxide anion	po2-
706	PO₂⁺	Phosphorus dioxide cation	po2+
707	SNO	Nitrogen oxide sulfide	sno
708	AsO₂	Aresenic dioxide	aso2
709	O₃^-	Ozone anion	o3-
710	O₃⁺	Ozone cation	o3+
711	SO₂	Sulfur dioxide	so2
712	SO₂^-	Sulfur dioxide anion	so2-
713	SO₂⁺	Sulfur dioxide cation	so2+
714	SSO	Disulfur monoxide	sso
715	S₃^-	Sulfur trimer anion	s3-
716	SeO₂	Selenium dioxide	seo2
717	SeO₂⁺	Selenium dioxide cation	seo2+
718	TeO₂	Tellurium Dioxide	teo2
719	HCCO	ketenyl radical	ketenyl
720	CS₂H⁺	Carbon disulfide, protonated	cs2h+
721	HNCO	Isocyanic acid	hnco
722	HOCN	cyanic acid	hocn
723	HNCS	Isothiocyanic acid	hncs
724	HSCN	thiocyanic acid	hscn
725	HCO₂^-	formate anion	hco2-
726	HNNO	nitrosoazane	hnno
727	HCOO	formate neutral radical	hcoo
728	HOCO	Hydrocarboxyl radical	hoco
729	HOCO⁺	Hydrocarboxyl cation	hoco+
730	HNO₂	Nitrous acid	hno2
731	HNO₂⁺	nitrous acid cation	hno2+
732	SO₂H⁺	protonated sulfur dioxide	so2h+
733	C₂H₂O	Oxirene	oxirene
734	CH₂CO	Ketene	ch2co
735	CH₂CO⁺	Ketene cation	ch2co+
736	HCCOH	ethynol	hccoh
737	CH₂CS	Thioketene	ch2cs
738	Be(OH)₂	Beryllium hydroxide	beo2h2
739	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
740	NH₂NO	Nitrosamide	nh2no
741	CH₂O₂	Dioxirane	diox
742	H₂COO⁺	dioxymethyl cation	h2coo+
743	H₂O₃	Hydrogen trioxide	h2o3
744	HSSSH	trisulfane	hsssh
745	NaOCH₃	Sodium methoxide	naoch3
746	CH₂CHO	Vinyloxy radical	ch2cho
747	CH₂COH⁺	ketene, protonated	ch2coh+
748	CH₃CO	Acetyl radical	ch3co
749	CH₃CO^-	Acetyl anion	ch3co-
750	CH₃CO⁺	acetyl cation	ch3co+
751	CH₂NOH	formaldoxime	ch2noh
752	CHONH₂	formamide	formamide
753	CNOH₃	1,2-oxaziridine	cnoh3
754	HOCHNH	hydroxymethylimine	hochnh
755	CHSNH₂	thioformamide	chsnh2
756	NHCHSH	Methanimidothioic acid	nhchsh
757	CH₂OOH	CH2OOH radical	ch2ooh
758	CH₃OO	methylperoxy radical	ch3oo
759	CH₃OO^-	methylperoxy anion	ch3oo-
760	CH₃OO⁺	methylperoxy cation	ch3oo+
761	C₂H₄O	Ethylene oxide	c2h4o
762	C₂H₄O⁺	ethylene oxide cation	c2h4o+
763	CH₂CHOH	ethenol	ch2choh
764	CH₃CHO	Acetaldehyde	ch3cho
765	CH₃CHO⁺	acetaldehyde cation	ch3cho+
766	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-	h2coch2+
767	C₂H₄S	Thiirane	thiirane
768	CH₂CHSH	Ethenethiol	ch2chsh
769	CH₃CHS	Thioacetaldehyde	ch3chs
770	H₂CONH₂⁺	protonated formamide	h2conh2+
771	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
772	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
773	CH₂(OH)₂	methanediol	ch2o2h2
774	CH₃OOH	Methyl peroxide	ch3ooh
775	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
776	HSCH₂SH	Methanedithiol	ch4s2
777	H₂OH₂CO	water formaldehyde dimer	h2oh2co
778	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
779	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
780	CH₃CH₂O	Ethoxy radical	ethoxy
781	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
782	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
783	CH₃OCH₂	methoxymethyl radical	ch3och2
784	NH₂CH₂OH	aminomethanol	nh2ch2oh
785	CH₃CH₂OH	Ethanol	etoh
786	CH₃OCH₃	Dimethyl ether	meome
787	CH₃CH₂SH	ethanethiol	etsh
788	CH₃SCH₃	Dimethyl sulfide	mesme
789	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
790	CH₃SeCH₃	dimethylselenide	dmse
791	CH₃OHH₂O	methanol water dimer	ch3ohh2o
792	H₂OCH₃OH	water methanol dimer	h2och3oh
793	CuF₂	Copper difluoride	cuf2
794	ZnF₂	Zinc difluoride	znf2
795	FCN	Cyanogen fluoride	fcn
796	ClCN	chlorocyanogen	clcn
797	BrCN	Cyanogen bromide	brcn
798	ICN	Cyanogen iodide	icn
799	FBO	Boron monofluoride monoxide	fbo
800	BeF₂	Beryllium fluoride	bef2
801	MgF₂	Magnesium fluoride	mgf2
802	BeCl₂	Beryllium chloride	becl2
803	MgCl₂	Magnesium dichloride	mgcl2
804	CaCl₂	Calcium Chloride	cacl2
805	ZnCl₂	Zinc dichloride	zncl2
806	BeBr₂	Beryllium bromide	bebr2
807	CaBr₂	Calcium dibromide	cabr2
808	CaF₂	Calcium difluoride	caf2
809	FNO	Nitrosyl fluoride	fno
810	ClNO	Nitrosyl chloride	clno
811	FNS	Thionitrosyl fluoride	fns
812	OPCl	Phosphorus oxychloride	opcl
813	BrNO	Nitrosyl bromide	brno
814	INO	Nitrosyl iodide	ino
815	CF₂^-	Difluoromethylene anion	cf2-
816	CF₂⁺	Difluoromethylene cation	cf2+
817	CFCl	chlorofluoromethylene	cfcl
818	SiF₂	Silicon difluoride	sif2
819	SiF₂⁺	Silicon difluoride cation	sif2+
820	CCl₂	dichloromethylene	ccl2
821	CCl₂^-	dichloromethylene anion	ccl2-
822	CCl₂⁺	dichloromethylene cation	ccl2+
823	SiCl₂	Dichlorosilylene	sicl2
824	GeF₂	Germanium difluoride	gef2
825	GeCl₂	Germanium dichloride	gecl2
826	CBr₂	dibromomethylene	cbr2
827	FOO	Dioxygen monofluoride radical	foo
828	FOO⁺	Fluorine dioxide cation	foo+
829	ClOO	chloroperoxy radical	cloo
830	ClOO⁺	chloroperoxy cation	cloo+
831	OClO	Chlorine dioxide	oclo
832	OClO⁺	Chlorine dioxide cation	oclo+
833	ClSO	Sulfur chloride oxide	clso
834	ClS₂	Sulfur chloride	cls2
835	BrOO	Bromine dioxide	broo
836	OBrO	Bromine dioxide radical	obro
837	NF₂	Difluoroamino radical	nf2
838	NF₂⁺	Difluoroamino cation	nf2+
839	PF₂	Phosphorus difluoride	pf2
840	PF₂⁺	Phosphorus difluoride cation	pf2+
841	FClO	chlorosyl fluoride	fclo
842	F₂O	Difluorine monoxide	f2o
843	ClOF	Chlorine hypofluorite	clof
844	SF₂	sulfur difluoride	sf2
845	SF₂^-	sulfur difluoride anion	sf2-
846	SF₂⁺	sulfur difluoride cation	sf2+
847	Cl₂O	Dichlorine monoxide	cl2o
848	SCl₂	Sulfur dichloride	scl2
849	SeF₂	Selenium difluoride	sef2
850	BrOCl	Bromine hypochlorite	brocl
851	SeCl₂	Selenium Dichloride	secl2
852	SBr₂	Sulfur dibromide	sbr2
853	SeBr₂	Selenium dibromide	sebr2
854	BrOBr	Bromine oxide	brobr
855	F₃^-	trifluoride anion	f3-
856	Cl₃^-	trichloride anion	cl3-
857	Br₃^-	tribromide anion	br3-
858	I₃^-	triiodide	i3-
859	SFCl	Sulfur chloride fluoride	sfcl
860	HCCF	Fluoroacetylene	hccf
861	HCCF⁺	fluoroacetylene cation	hccf+
862	HCCCl	Chloroacetylene	hcccl
863	HCCBr	bromoacetylene	hccbr
864	HFCO	formyl fluoride	hfco
865	COHCl	Formyl chloride	cohcl
866	COHBr	Formyl bromide	cohbr
867	BHF₂	Difluoroborane	bhf2
868	BHCl₂	Borane, dichloro-	bhcl2
869	CHCl₂	dichloromethyl radical	chcl2
870	CHF₂	difluoromethyl radical	chf2
871	CHF₂⁺	difluoromethyl cation	chf2+
872	CHFCl	Chlorofluoromethyl radical	chfcl
873	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
874	CHCl₂⁺	dichloromethyl cation	chcl2+
875	CHBr₂	dibromomethyl radical	chbr2
876	HOClO	Chlorous acid	hoclo
877	NHF₂	difluoramine	nhf2
878	NHCl₂	dichloroamine	nhcl2
879	CH₂F₂	Methane, difluoro-	ch2f2
880	CH₂FCl	fluorochloromethane	ch2fcl
881	SiH₂F₂	difluorosilane	sih2f2
882	CH₂Cl₂	Methylene chloride	ch2cl2
883	CH₂BrF	Methane, bromofluoro-	ch2fbr
884	CH₂BrCl	Methane, bromochloro-	ch2clbr
885	CH₂FI	fluoroiodomethane	ch2fi
886	CH₂Br₂	dibromomethane	ch2br2
887	CH₂ClI	chloroiodomethane	ch2cli
888	CH₂BrI	bromoiodomethane	ch2bri
889	CH₂I₂	Diiodomethane	ch2i2
890	SiH₂Cl₂	dichlorosilane	sih2cl2
891	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
892	CH₂CHF	Ethene, fluoro-	ch2chf
893	CH₂CHF⁺	fluoroethene cation	ch2chf+
894	C₂H₃Cl	Ethene, chloro-	ch2chcl
895	C₂H₃Br	vinyl bromide	c2h3br
896	C₂H₃I	Vinyl iodide	c2h3i
897	CH₂FOH	fluoromethanol	ch2foh
898	CH₃OCl	methyl hypochlorite	ch3ocl
899	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
900	CHClCH₃	1-chloroethyl radical	chclch3
901	C₂H₅F	fluoroethane	c2h5f
902	CH₃CH₂Cl	Ethyl chloride	c2h5cl
903	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
904	C₂H₅Br	Ethyl bromide	etbr
905	C₂H₅I	Ethyl iodide	c2h5i
906	KrF₂	Krypton difluoride	krf2
907	XeF₂	Xenon difluoride	xef2
908	B₄H₁₀	Tetraborane(10)	b4h10
909	C₄	Carbon tetramer	c4
910	C₄⁺	Carbon tetramer cation	c4+
911	C₄H₂	Diacetylene	c4h2
912	C₄H₂⁺	diacetlyene cation	c4h2+
913	C₂H₃CCH	1-Buten-3-yne	c2h3cch
914	C₄H₄	cyclobutadiene	cbd
915	C₄H₄	Tetrahedrane	c4h4
916	H₂CCCCH₂	Butatriene	h2cccch2
917	C₄H₆	1-Methylcyclopropene	c3100047
918	C₄H₆	Cyclobutene	c822355
919	C₄H₆	Methylenecyclopropane	c6142730
920	CH₂CCHCH₃	1,2-Butadiene	butad12
921	CH₂CHCHCH₂	1,3-Butadiene	c106990
922	CH₃CCCH₃	2-Butyne	c503173
923	CHCCH₂CH₃	1-Butyne	c107006
924	CH₃CHCHCH₂	methylallyl radical	c4h7
925	C₄H₈	methylcyclopropane	mcp
926	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
927	CH₂CHCH₂CH₃	1-Butene	bute1
928	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
929	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
930	B(CH₃)₃	trimethylborane	bme3
931	Al(CH₃)₃	trimethyl aluminum	tma
932	C(CH₃)₃	Tert-butyl radical	tbutyl
933	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
934	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
935	CH₃CH(CH₃)CH₃	Isobutane	isobutane
936	CH₃CH₂CH₂CH₃	Butane	butane
937	SiH(CH₃)₃	trimethylsilane	trimsi
938	C₂N₂⁺	Cyanogen cation	c2n2+
939	P₄	Phosphorus tetramer	p4
940	As₄	Arsenic tetramer	as4
941	HCCCN	Cyanoacetylene	hcccn
942	HCCCN⁺	Cyanoacetylene cation	hcccn+
943	H₂CNCN	cyanamide, methylene	ch2ncn
944	HNCCNH	Ethenediimine	hnccnh
945	C₃H₃N	acrylonitrile	ch2chcn
946	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
947	CH₃N₃	methyl azide	ch3n3
948	NH₂CCNH₂	Diaminoacetylene	daa
949	NH₂CH₂CN	Aminoacetonitrile	aan
950	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
951	C₂H₅CN	ethyl cyanide	c2h5cn
952	CH₅N₃	Guanidine	guanidine
953	C₄H₆	Bicyclo[1.1.0]butane	c157335
954	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
955	H₂NCHCHNH₂	diaminoethylene	dae
956	CH₆N₃⁺	guanidinium	ch6n3+
957	C₃H₇N	Cyclopropylamine	cpram
958	CH₇N₃	triaminomethane	tam
959	C₃H₇N	Azetidine	azet
960	C₂H₈N₂	Ethylenediamine	ethdiam
961	CH₃NHNHCH₃	dimethyl hydrazine	dmh
962	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
963	N(CH₃)₃	Trimethylamine	trimeam
964	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
965	P(CH₃)₃	trimethylphosphine	tmp
966	N(SiH₃)₃	trisilylamine	tsa
967	As(CH₃)₃	trimethyl arsine	tmas
968	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
969	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
970	Li₂O₂	dilithium dioxide	li2o2
971	Na₂O₂	disodium dioxide	na2o2
972	K₂O₂	dipotassium dioxide	k2o2
973	B₂O₂	Diboron dioxide	b2o2
974	S₂N₂	Disulfur dinitride	s2n2
975	CO₃	Carbon trioxide	co3
976	CO₃^--	carbonate	co3--
977	CS₃^--	Carbonotrithioate	cs3--
978	NO₃	Nitrogen trioxide	no3
979	NO₃^-	nitrate anion	no3-
980	NO₃⁺	nitrogen trioxide cation	no3+
981	SO₃	Sulfur trioxide	so3
982	SO₃^-	Sulfur trioxide anion	so3-
983	SO₃^--	Sulfate dianion	so3--
984	SO₃⁺	Sulfur trioxide cation	so3+
985	SeO₃	selenium trioxide	seo3
986	S₄	Sulfur tetramer	s4
987	TeO₃	Tellurium trioxide	teo3
988	HCO₃^-	bicarbonate anion	hco3-
989	HNO₃	Nitric acid	hno3
990	HSO₃	Hydroxysulfonyl radical	hso3
991	NH₂NO₂	nitramide	nh2no2
992	C₂H₂CO	cyclopropenone	c2h2co
993	C₃H₂O	Propadienal	c3h2o
994	HCCCHO	2-propynal	hcccho
995	C₂H₂O₂	Ethanedial	c2h2o2
996	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
997	H₂CO₃	Carbonic acid	h2co3
998	H₂CS₃	thiocarbonic acid	h2cs3
999	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
1000	H₂SO₃	Sulfurous acid	h2so3
1001	C₂H₃NO	Nitrosoethylene	c2h3no
1002	CH₃NCO	methylisocyante	ch3nco
1003	HOCH₂CN	cyanomethanol	hoch2cn
1004	CH₃COO^-	acetate anion	ch3coo-
1005	CH₃NO₂	Methane, nitro-	ch3no2
1006	CH₃ONO	Methyl nitrite	ch3ono
1007	NH₂COOH	Carbamic acid	nh2cooh
1008	H₃BO₃	Boric acid	h3bo3
1009	H₃AlO₃	Aluminum hydroxide	h3alo3
1010	H₃CO₃⁺	carbonic acid, protonated	h3co3+
1011	C₃H₄O	2-Propyn-1-ol	c107197
1012	C₃H₄O	allenol	c9000071
1013	C₃H₄O	Cyclopropanone	cpone
1014	C₃H₄O	Methylketene	c6004440
1015	CH₂CHCHO	Acrolein	c3h4o
1016	NH₂CONH₂⁺	Urea cation	urea+
1017	NH₂CSNH₂	Thiourea	thiourea
1018	C₂H₄O₂	1,3-dioxetane	c2h4o2
1019	CH₃COOH	Acetic acid	ch3cooh
1020	CH₃OCHO	methyl formate	ch3ocho
1021	CHOCH₂OH	hydroxy acetaldehyde	haa
1022	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
1023	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
1024	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
1025	HCOOHH₂O	Formic acid water dimer	hcoohh2o
1026	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
1027	CH₃COCH₂	Acetonyl radical	ch3coch2
1028	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
1029	CH₃C(OH)=NH	Ethaninidic acid	eia
1030	CH₃CHNOH	Acetaldoxime	acetaldoxime
1031	CH₃CONH₂	Acetamide	acetamide
1032	HCONHCH₃	N-methylformamide	nmfa
1033	CH₃CSNH₂	Ethanethioamide	ch3csnh2
1034	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
1035	H₂NCOHNH₂⁺	urea, protonated	ureah+
1036	C₂H₅OO	ethylperoxy radical	c2h5oo
1037	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
1038	C₃H₅OH	Cyclopropanol	cproh
1039	C₃H₆O	2-Propen-1-ol	c107186
1040	C₃H₆O	Acetone enol	enol
1041	C₃H₆O	Oxetane	oxetane
1042	C₃H₆O	Propylene oxide	prox
1043	CH₃CH₂CHO	Propanal	propanal
1044	CH₃COCH₃	Acetone	acetone
1045	CH₃COCH₃^-	acetone anion	ch3coch3-
1046	C₃H₆S	Thietane	thietane
1047	C₃H₆S	Thiirane, methyl-	methiirane
1048	CH₃CSCH₃	Thioacetone	ch3csch3
1049	C₂H₆O₂	1,2-Ethanediol	ethdiol
1050	CH₃OOCH₃	dimethylperoxide	dmp
1051	CH₃SOCH₃	Dimethyl sulfoxide	dmso
1052	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
1053	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
1054	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
1055	HOCH₂CH₂NH₂	monoethanolamine	mea
1056	C₃H₇OH	1-Propanol	proh
1057	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
1058	CH₃OC₂H₅	Ethane, methoxy-	etome
1059	C₃H₇SH	1-Propanethiol	prsh
1060	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1061	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1062	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1063	Li₂F₂	Lithium fluoride dimer	li2f2
1064	Na₂F₂	Sodium Fluoride Dimer	na2f2
1065	Na₂Cl₂	Disodium dichloride	na2cl2
1066	C₂F₂	difluoroacetylene	c2f2
1067	C₂Cl₂	dichloroacetylene	c2cl2
1068	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1069	FNO₂	Nitryl fluoride	fno2
1070	FONO	Nitrosyl hypofluorite	fono
1071	ClNO₂	Nitryl chloride	clno2
1072	ClONO	chlorine nitrite	clono
1073	BrONO	Bromine nitrite	brono
1074	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1075	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1076	CF₂O	Carbonic difluoride	f2co
1077	CF₂O⁺	Carbonic difluoride cation	f2co+
1078	COFCl	Carbonic chloride fluoride	cofcl
1079	CCl₂O	Phosgene	cl2co
1080	Cl₂CS	Thiophosgene	cl2cs
1081	COBr₂	Carbonic dibromide	cobr2
1082	BF₃	Borane, trifluoro-	bf3
1083	BF₃^-	Borane, trifluoro- anion	bf3-
1084	BF₃⁺	boron trifluoride cation	bf3+
1085	AlF₃	Aluminum trifluoride	alf3
1086	BClF₂	Chlorodifluoroborane	bclf2
1087	AlF₂Cl	Aluminum chloride difluoride	alclf2
1088	ScF₃	Scandium trifluoride	ScF3
1089	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1090	BCl₃	Borane, trichloro-	bcl3
1091	BCl₃⁺	Boron Trichloride cation	bcl3+
1092	GaF₃	Gallium trifluoride	gaf3
1093	AlCl₃	Aluminum trichloride	alcl3
1094	GaCl₃	Gallium trichloride	gacl3
1095	BBr₃	Boron tribromide	bbr3
1096	AlBr₃	Aluminum Bromide	albr3
1097	ClO₃	Chlorine trioxide	clo3
1098	ClO₃^-	chlorate anion	clo3-
1099	BrO₃^-	Bromate anion	bro3-
1100	CF₃	Trifluoromethyl radical	cf3
1101	CF₃^-	Trifluoromethyl anion	cf3-
1102	CF₃⁺	Trifluoromethyl cation	cf3+
1103	CF₂Cl	difluorochloromethyl radical	cf2cl
1104	SiF₃	Silicon trifluoride radical	sif3
1105	SiF₃⁺	Silicon trifluoride cation	sif3+
1106	CFCl₂	dichlorofluoromethyl radical	cfcl2
1107	CCl₃	Trichloromethyl radical	ccl3
1108	CCl₃^-	Trichloromethyl anion	ccl3-
1109	CCl₃⁺	Trichloromethyl cation	ccl3+
1110	SiCl₃	trichlorosilyl radical	sicl3
1111	SiCl₃⁺	trichlorosilyl cation	sicl3+
1112	CBr₃	tribromomethyl radical	cbr3
1113	FOOF	Perfluoroperoxide	foof
1114	ClO₂F	Chloryl fluoride	clo2f
1115	F₂SO	Thionyl Fluoride	f2so
1116	ClOOCl	Dichlorine dioxide	cloocl
1117	FSSF	Difluorodisulfane	fssf
1118	S₂F₂	Thio-thionyl fluoride	s2f2
1119	SOCl₂	thionyl chloride	socl2
1120	SSCl₂	Thiothionyl chloride	sscl2
1121	SeOCl₂	selenium oxychloride	seocl2
1122	NF₃	Nitrogen trifluoride	nf3
1123	NF₃^-	Nitrogen trifluoride anion	nf3-
1124	NF₃⁺	Nitrogen trifluoride cation	nf3+
1125	PF₃	Phosphorus trifluoride	pf3
1126	NCl₃	nitrogen trichloride	ncl3
1127	AsF₃	Arsenic trifluoride	asf3
1128	PCl₃	Phosphorus trichloride	pcl3
1129	SbF₃	Antimony Trifluoride	sbf3
1130	AsCl₃	Arsenous trichloride	ascl3
1131	SbCl₃	Antimony Trichloride	sbcl3
1132	NBr₃	Nitrogen Tribromide	nbr3
1133	PBr₃	Phosphorus tribromide	pbr3
1134	AsBr₃	Arsenic tribromide	asbr3
1135	NI₃	Nitrogen triiodide	ni3
1136	PI₃	Phosphorus triiodide	pi3
1137	ClSSCl	Disulfur dichloride	s2cl2
1138	SF₃	Sulfur trifluoride	sf3
1139	ClF₃	Chlorine trifluoride	clf3
1140	BrF₃	Bromine trifluoride	brf3
1141	IF₃	iodone trifluoride	if3
1142	HClO₃	Chloric Acid	hclo3
1143	CHF₃	Methane, trifluoro-	chf3
1144	CHF₂Cl	difluorochloromethane	chf2cl
1145	SiHF₃	trifluorosilane	sihf3
1146	CHFCl₂	fluorodichloromethane	chfcl2
1147	CDCl₃	trichloromethane-d	cdcl3
1148	CHCl₃	Chloroform	chcl3
1149	CHBrF₂	Methane, bromodifluoro-	chbrf2
1150	SiHCl₃	Trichlorosilane	sihcl3
1151	CHFClBr	fluorochlorobromomethane	chfclbr
1152	CHBrCl₂	Methane, bromodichloro-	chbrcl2
1153	CHF₂I	difluoroiodomethane	chf2i
1154	CHBr₂F	dibromofluoromethane	chbr2f
1155	CHFClI	fluorochloroiodomethane	chfcli
1156	CHCl₂I	dichloroiodomethane	chcl2i
1157	CHClBr₂	Methane, dibromochloro-	chclbr2
1158	CHBr₃	bromoform	chbr3
1159	CHI₃	Iodoform	chi3
1160	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1161	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1162	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1163	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1164	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1165	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1166	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1167	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1168	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1169	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1170	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1171	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1172	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1173	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1174	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1175	CH₃COF	Acetyl fluoride	ch3cof
1176	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1177	CH₃COCl	Acetyl Chloride	ch3cocl
1178	C₂H₄F₂	1,2-difluoroethane	c2h4f2
1179	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1180	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1181	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1182	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1183	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1184	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1185	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1186	CH₂CFCH₃	2-fluoropropene	2fpro
1187	CH₂CHCH₂F	Allyl Fluoride	allylf
1188	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1189	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1190	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1191	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1192	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1193	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1194	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1195	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1196	CH₃CHFCH₃	2-Fluoropropane	prf2
1197	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1198	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1199	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1200	CH₃CHBrCH₃	i-propyl bromide	iprbr
1201	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1202	B₅H₉	pentaborane9	b5h9
1203	C₅H₄	pentatetraene	ptrene
1204	C₅H₅	cyclopentadienyl radical	c5h5
1205	C₅H₅^-	cylopentadienyl anion	c5h5-
1206	C₅H₆	1,3-Cyclopentadiene	c542927
1207	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1208	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1209	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1210	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1211	C₅H₆	Cyclopropylacetylene	c6746947
1212	C₅H₆	Propellane	propellane
1213	C₅H₇	1,3-pentadienyl radical	pdyl
1214	C₅H₇	cyclopentenyl radical	cpyl
1215	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1216	C₅H₈	1,2-Pentadiene	c591957
1217	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1218	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1219	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1220	C₅H₈	1,4-Pentadiene	c591935
1221	C₅H₈	1-pentyne	a1pentyne
1222	C₅H₈	2,3-Pentadiene	c591968
1223	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1224	C₅H₈	Cyclobutane, methylene-	c1120565
1225	C₅H₈	Cyclopentene	c142290
1226	C₅H₈	Ethenylcyclopropane	c693867
1227	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1228	C₅H₁₀	1-Butene, 2-methyl-	c563462
1229	C₅H₁₀	2-Butene, 2-methyl-	c513359
1230	C₅H₁₀	2-Pentene, (E)-	c646048
1231	C₅H₁₀	2-Pentene, (Z)-	c627203
1232	C₅H₁₀	Cyclopentane	c287923
1233	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1234	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1235	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1236	C₅H₁₂	Butane, 2-methyl-	buta2
1237	C₅H₁₂	Pentane	pentane
1238	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1239	Si(CH₃)₄	tetramethylsilane	tms
1240	N₂O₃	Dinitrogen trioxide	n2o3
1241	C₃H₂N₂	Malononitrile	c3h2n2
1242	CH₂N₄	1H-Tetrazole	1htz
1243	C₃H₃N₂	imidazolyl radical	im
1244	C₃H₃N₂^-	imidizolyl anion	im-
1245	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1246	C₄H₄N	pyrrolide radical	c4h4n
1247	C₄H₄N^-	pyrrolide anion	c4h4n-
1248	C₃H₄N₂	1H-Imidazole	1himidaz
1249	C₃H₄N₂	1H-Pyrazole	1hpyraz
1250	C₃H₄N₂	2H-Imidazole	imid2h
1251	C₃H₄N₂	4H-Imidazole	imid4h
1252	C₄H₅N	(E)-2-Butenenitrile	c627269
1253	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1254	C₄H₅N	2H-pyrrole	pyrrole2
1255	C₄H₅N	3H-pyrrole	pyrrole3
1256	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1257	C₄H₅N	Pyrrole	pyrrole
1258	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1259	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1260	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1261	C₄H₆N⁺	pyrrole, protonated	ppyr
1262	C₃H₆N₂	3-Aminopropionitrile	c151188
1263	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1264	CH₃CH₂CH₂CN	Butanenitrile	c109740
1265	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1266	C₅H₈	Spiropentane	c157404
1267	C₄H₉N	Cyclobutylamine	cbam
1268	C₄H₉N	Pyrrolidine	pyrrolidine
1269	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1270	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1271	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1272	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1273	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1274	NH(C₂H₅)₂	diethylamine	dea
1275	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1276	C₃O₂	Carbon suboxide	c3o2
1277	C₃O₂⁺	Carbon suboxide cation	c3o2+
1278	B₂O₃	diboron trioxide	b2o3
1279	MgCO₃	Magnesium Carbonate	mgco3
1280	BeCO₃	Beryllium Carbonate	beco3
1281	CaCO₃	Calcium Carbonate	caco3
1282	ONONO	Nitrosyl nitrite	onono
1283	PO₄^---	phosphate	po4---
1284	SO₄^--	sulfate	so4--
1285	HOONO₂	peroxy nitric acid	hoono2
1286	HSO₄^-	bisulfate anion	hso4-
1287	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1288	C₃H₂O₂	Propiolic acid	c3h2o2
1289	CHOCOOH	oxo acetic acid	oaa
1290	CHOOCHO	diformyl ether	choocho
1291	H₂SO₄	Sulfuric acid	h2so4
1292	H₂SeO₄	Selenic acid	h2seo4
1293	C₃H₃NO	Isoxazole	isox
1294	C₃H₃NO	Oxazole	oxazole
1295	C₃H₃NS	Thiazole	thiazole
1296	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1297	CH₃NO₃	Methyl nitrate	ch3no3
1298	H₃PO₄	Phosphoric Acid	h3po4
1299	C₄H₄O	Furan	furan
1300	C₄H₄O⁺	Furan cation	furan+
1301	CH₃COCCH	3-butyn-2-one	c1423605
1302	C₄H₄S	Thiophene	furans
1303	C₄H₄Se	selenophene	c4h4se
1304	C₃H₄O₂	β–Propiolactone	beta
1305	C₃H₄O₂	2-Propenoic acid	propenoic2
1306	C₃H₄O₂	Methyl glyoxal	megly
1307	C₃H₄O₂	propanedial	propanedial
1308	C₃H₄O₂	propenalol	propenalol
1309	HOCHCCHOH	allenediol	aldiol
1310	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1311	C₂H₄O₃	trioxolane124	triox
1312	HOCH₂COOH	Hydroxyacetic acid	hac
1313	CH₂CHCONH₂	Acrylamide	c79061
1314	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1315	CH₅N₃S	Hydrazinecarbothioamide	c79196
1316	H₂NCH₂COOH	Glycine	glycine
1317	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1318	C₄H₆O	cis-2-butenal	butenal2c
1319	C₄H₆O	Cyclobutanone	cbutone
1320	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1321	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1322	CH₂CHOCHCH₂	Vinyl ether	vinylether
1323	CHOCHCHCH₃	2-Butenal	butenal2
1324	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1325	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1326	CH₂CHSCHCH₂	Divinyl sulfide	divis
1327	C₂H₆N₂O	Urea, methyl-	c598505
1328	C₃H₆O₂	1,3-Dioxolane	dioxolane
1329	CH₃CH₂COOH	Propanoic Acid	propanoic
1330	CH₃COOCH₃	methyl acetate	aame
1331	HCOOC₂H₅	Ethyl formate	faee
1332	C₂H₆O₂S	Dimethyl sulfone	c67710
1333	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1334	C₃H₇NO	dimethylformamide	dmf
1335	C₃H₇NO	Propanamide	propanam
1336	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1337	C₄H₈O	Cyclobutanol	c2919235
1338	C₄H₈O	Furan, tetrahydro-	thf
1339	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1340	CH₃COCH₂CH₃	2-Butanone	buta2one
1341	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1342	CHOCH₂CH₂CH₃	Butanal	butanal
1343	C₄H₈S	Thiophene, tetrahydro-	tht
1344	C₃H₈O₂	1,3-Propanediol	c504632
1345	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1346	C₃H₈O₂	Methane, dimethoxy-	c109875
1347	C₃H₈O₂	Propylene glycol	c57556
1348	C₃H₈S₂	1,3-Propanedithiol	c109808
1349	C₄H₁₀O	1-Butanol	butanol1
1350	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1351	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1352	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1353	C₄H₁₀O	Ethoxy ethane	etoet
1354	C₄H₁₀O	Methyl propyl ether	meopr
1355	C₄H₁₀O	Propane, 2-methoxy-	c598538
1356	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1357	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1358	C₂H₅SC₂H₅	Diethyl sulfide	etset
1359	C₄H₉SH	1-Butanethiol	bush
1360	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1361	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1362	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1363	FNO₃	Fluorine nitrate	fno3
1364	ClONO₂	Chlorine nitrate	clono2
1365	TiCl₄	Titanium tetrachloride	ticl4
1366	ClO₄^-	perchlorate anion	clo4-
1367	BF₄^-	tetrafluoroboron anion	bf4-
1368	ClFO₃	Perchloryl fluoride	clfo3
1369	SO₂F₂	Sulfuryl fluoride	so2f2
1370	SO₂Cl₂	Sulfuryl chloride	so2cl2
1371	F₃NO	Nitrogen trifluoride oxide	f3no
1372	F₃PO	Phosphoryl fluoride	pf3o
1373	Cl₃PO	Phosphoryl chloride	pcl3o
1374	CF₄	Carbon tetrafluoride	cf4
1375	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1376	SiF₄	Silicon tetrafluoride	sif4
1377	CF₂Cl₂	difluorodichloromethane	cf2cl2
1378	CFCl₃	Trichloromonofluoromethane	cfcl3
1379	CF₃Br	Bromotrifluoromethane	cf3br
1380	GeF₄	Germanium tetrafluoride	gef4
1381	CCl₄	Carbon tetrachloride	ccl4
1382	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1383	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1384	SiCl₄	Silane, tetrachloro-	sicl4
1385	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1386	CF₃I	trifluoroiodomethane	cf3i
1387	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1388	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1389	GeCl₄	Germanium Tetrachloride	gecl4
1390	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1391	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1392	CCl₃I	trichloroiodomethane	ccl3i
1393	CFBr₃	fluorotribromomethane	cfbr3
1394	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1395	CBr₃Cl	tribromochloromethane	cbr3cl
1396	CF₂I₂	difluorodiiodomethane	cf2i2
1397	CBr₄	Carbon tetrabromide	cbr4
1398	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1399	SiBr₄	Silicon tetrabromide	sibr4
1400	CBr₃I	tribromoiododmethane	cbr3i
1401	GeBr₄	Germanium tetrabromide	gebr4
1402	CI₄	tetraiodomethane	ci4
1403	SiI₄	silicon tetraiodide	sii4
1404	ClOF₃	Chlorine trifluoride oxide	clof3
1405	SF₄	Sulfur tetrafluoride	sf4
1406	SeF₄	Selenium tetrafluoride	sef4
1407	SCl₄	Sulfur tetrachloride	scl4
1408	C₂HF₃	Trifluoroethylene	c2hf3
1409	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1410	CHClCCl₂	Trichloroethylene	chclccl2
1411	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1412	HClO₄	perchloric acid	hclo4
1413	HSO₃F	Fluorosulfonic acid	hso3f
1414	CF₃OH	trifluoromethanol	cf3oh
1415	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1416	CHClCCHCl	1,3-dichloroallene	chclcchcl
1417	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1418	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1419	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1420	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1421	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1422	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1423	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1424	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1425	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1426	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1427	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1428	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1429	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1430	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1431	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1432	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1433	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1434	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1435	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1436	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1437	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1438	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1439	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1440	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1441	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1442	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1443	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1444	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1445	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1446	C₄H₉F	1-fluorobutane	butaf1
1447	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1448	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1449	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1450	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1451	XeF₄	Xenon tetrafluoride	xef4
1452	C₂H₂N₂O	Furazan	furazan
1453	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1454	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1455	C₆H₂	hexatriyne	c6h2
1456	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1457	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1458	C₆H₄	Benzyne	benzyne
1459	C₆H₅	phenyl	phenyl
1460	C₆H₅^-	phenyl anion	phenyl-
1461	C₆H₆	Prismane	prismane
1462	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1463	C₆H₆	2,4-Hexadiyne	hexadiyne
1464	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1465	C₆H₆	Benzene	benzene
1466	C₆H₆	Benzvalene	bv
1467	C₆H₆	Dewar Benzene	dewar
1468	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1469	C₆H₆	Trimethylenecycopropane	tmcp
1470	C₆H₆⁺	Benzene cation	c6h6+
1471	C₆H₇⁺	benzene, protonated	c6h7+
1472	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1473	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1474	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1475	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1476	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1477	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1478	C₆H₈	3-Methylenecyclopentene	c930267
1479	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1480	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1481	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1482	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1483	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1484	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1485	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1486	C₆H₁₀	1,5-Hexadiene	c592427
1487	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1488	C₆H₁₀	1-Hexyne	hexyne1
1489	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1490	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1491	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1492	C₆H₁₀	2-Hexyne	c764352
1493	C₆H₁₀	3-Hexyne	hexyne3
1494	C₆H₁₀	cyclohexene	cyclohexene
1495	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1496	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1497	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1498	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1499	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1500	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1501	C₆H₁₂	(E)-2-Hexene	e2hexene
1502	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1503	C₆H₁₂	(E)-hex-3-ene	e3hexene
1504	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1505	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1506	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1507	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1508	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1509	C₆H₁₂	3-methylenepentane	c760214
1510	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1511	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1512	C₆H₁₂	Cyclohexane	cyclohexane
1513	C₆H₁₂	Cyclopentane, methyl-	c96377
1514	C₆H₁₂	Ethylcyclobutane	c4806615
1515	C₆H₁₂	hex-1-ene	hexene1
1516	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1517	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1518	C₆H₁₄	Hexane	hexane
1519	C₆H₁₄	Pentane, 2-methyl-	penta2
1520	C₆H₁₄	Pentane, 3-methyl-	penta3
1521	C₄N₂	2-Butynedinitrile	c4n2
1522	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1523	C₄H₂N₂	Fumaronitrile	c4h2n2
1524	C₂H₂N₄	sym-tetrazine	ttz
1525	C₃H₃N₃	1,3,5-Triazine	triazine135
1526	CH₃N₅	5-Aminotetrazole	c4418615
1527	C₄H₄N₂	1,3-Diazine	diazine13
1528	C₄H₄N₂	Pyrazine	pyrazine
1529	C₄H₄N₂	Pyridazine	pyridazine
1530	C₄H₄N₂	Succinonitrile	c110612
1531	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1532	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1533	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1534	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1535	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1536	C₅H₅N	Pyridine	pyridine
1537	B₃N₃H₆	borazine	borazine
1538	C₆H₆	Fulvene	fulvene
1539	C₅H₆N⁺	Pyridinium	c5h6n
1540	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1541	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1542	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1543	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1544	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1545	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1546	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1547	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1548	C₅H₉N	Pentanenitrile	c110598
1549	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1550	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1551	C₅H₁₁N	Cyclopentanamine	cypentam
1552	C₅H₁₁N	Piperidine	piper
1553	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1554	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1555	Li₂CO₃	Lithium Carbonate	li2co3
1556	Na₂CO₃	Sodium Carbonate	na2co3
1557	C₂O₄^--	oxalate anion	c2o4
1558	MgSO₄	Magnesium Sulfate	mgso4
1559	N₂O₄	Dinitrogen tetroxide	n2o4
1560	C₃H₂O₃	vinylene carbonate	vica
1561	C₂H₂O₄	Oxalic Acid	oxalic
1562	C₂H₃NO₃	Oxamic acid	oxamic
1563	C₄H₄O₂	2(5H)-Furanone	furanone
1564	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1565	C₂H₄N₂O₂	Oxalamide	oxalamide
1566	C₂H₄N₂S₂	Ethanedithioamide	c79403
1567	C₂H₄CO₃	Ethylene carbonate	etco3
1568	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1569	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1570	C₂H₄O₄	Formic acid dimer	fadimer
1571	C₄H₅NO	3-Methylisoxazole	isox3m
1572	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1573	C₄H₅NS	4-Methylthiazole	c693958
1574	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1575	C₅H₆O	2H-Pyran	pyran2
1576	C₅H₆O	2-methylfuran	furan2m
1577	C₅H₆O	3-Methylfuran	furan3m
1578	C₅H₆O	Pentadienal	pdal
1579	C₅H₆S	Thiophene, 2-methyl-	c554143
1580	C₅H₆S	Thiophene, 3-methyl-	c616444
1581	C₄H₆O₂	γ–Butyrolactone	c96480
1582	C₄H₆O₂	2,3-Butanedione	c431038
1583	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1584	C₄H₆O₂	Crotonic Acid	crot
1585	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1586	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1587	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1588	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1589	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1590	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1591	C₄H₆OS	Vinyl sulfoxide	c1115157
1592	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1593	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1594	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1595	C₃H₆O₃	1,3,5-Trioxane	trioxane
1596	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1597	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1598	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1599	C₄H₇NO	2-Pyrrolidinone	c616455
1600	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1601	C₄H₇NO	Methacrylamide	c79390
1602	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1603	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1604	C₃H₇ONO	Propyl nitrite	prono
1605	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1606	CH₃CH(NH₂)COOH	Alanine	alanine
1607	CH₃NHCH₂COOH	Sarcosine	sarcosine
1608	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1609	NH₂COOC₂H₅	Urethane	urethane
1610	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1611	C₅H₈O	Cyclopentanone	c120923
1612	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1613	C₅H₈O	Methyl cyclopropyl ketone	c765435
1614	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1615	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1616	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1617	C₄H₈O₂	1,3-Dioxane	dioxan13
1618	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1619	C₄H₈O₂	1,4-Dioxane	dioxan14
1620	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1621	C₄H₈O₂	Ethyl acetate	c141786
1622	C₄H₈OS	s-Ethyl thioacetate	c625605
1623	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1624	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1625	C₄H₉NO	Butanamide	c541355
1626	C₄H₉NO	Propanamide, 2-methyl-	c563837
1627	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1628	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1629	C₅H₁₀O	2-methylbutyraldehyde	2meba
1630	C₅H₁₀O	2-Pentanone	mpk
1631	C₅H₁₀O	3-Pentanone	dek
1632	C₅H₁₀O	Cyclopentanol	c96413
1633	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1634	C₅H₁₀O	Pentanal	pal
1635	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1636	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1637	C₅H₁₀S	Cyclopentanethiol	c1679078
1638	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1639	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1640	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1641	C₄H₁₀O₂	1,3-Butanediol	budiol13
1642	C₄H₁₀O₂	1,4-Butanediol	budiol14
1643	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1644	C₄H₁₀OS	Diethyl sulfoxide	c70291
1645	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1646	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1647	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1648	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1649	C₅H₁₂O	1-Pentanol	pentanol1
1650	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1651	C₅H₁₂O	2-Pentanol	peol2
1652	C₅H₁₂O	3-Pentanol	pentan3ol
1653	C₅H₁₂O	Butane, 1-methoxy-	meobu
1654	C₅H₁₂O	Propane, 1-ethoxy-	proet
1655	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1656	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1657	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1658	C₅H₁₂S	1-Pentanethiol	c110667
1659	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1660	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1661	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1662	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1663	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1664	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1665	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1666	C₄F₂	difluorobutadiyne	c4f2
1667	ClCOClCO	Oxalyl chloride	oxcl
1668	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1669	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1670	B₂F₄	Diboron tetrafluoride	b2f4
1671	B₂Cl₄	Diboron tetrachloride	b2cl4
1672	C₂F₄	Tetrafluoroethylene	c2f4
1673	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1674	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1675	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1676	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1677	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1678	C₂FCl₃	fluorotrichloroethene	c2fcl3
1679	C₂Cl₄	Tetrachloroethylene	c2cl4
1680	C₂Br₄	tetrabromoethene	c2br4
1681	CF₃OF	Trifluoromethylhypofluorite	cf3of
1682	SiF₅^-	silicon pentafluoride anion	sif5-
1683	SOF₄	Sulfur tetrafluoride oxide	sof4
1684	PF₅	Phosphorus pentafluoride	pf5
1685	AsF₅	Arsenic pentafluoride	asf5
1686	PCl₅	Phosphorus pentachloride	pcl5
1687	SF₅	Sulfur pentafluoride	sf5
1688	SF₅⁺	pentafluoro sulfur cation	sf5+
1689	SbCl₅	Antimony pentachloride	sbcl5
1690	BrF₅	bromine pentafluoride	brf5
1691	ClF₅	chlorinepentafluoride	clf5
1692	IF₅	pentafluoroiodine	if5
1693	CF₃CHO	trifluoroacetaldehyde	cf3cho
1694	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1695	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1696	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1697	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1698	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1699	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1700	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1701	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1702	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1703	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1704	CF₃COOH	trifluoroacetic acid	cf3cooh
1705	C₄H₃ClO	Furan, 2-chloro	fur2cl
1706	C₄H₃ClO	Furan,3-chloro	fur3cl
1707	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1708	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1709	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1710	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1711	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1712	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1713	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1714	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1715	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1716	C₄H₈O₂	Butanoic acid	bua
1717	C₆H₅CH₂	benzyl radical	benzyl
1718	C₇H₇	cycloheptatrienyl radical	c7h7
1719	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1720	C₆H₅CH₃	toluene	toluene
1721	C₇H₈	cycloheptatriene	cht
1722	C₇H₈	Norbornadiene	norbor
1723	C₇H₈	Quadricyclane	qucy
1724	C₇H₁₂	Norbornane	nor
1725	C₇H₁₄	cycloheptane	c7h14
1726	C₇H₁₆	2-methylhexane	2mhex
1727	C₇H₁₆	3-methylhexane	hex3m
1728	C₇H₁₆	heptane	heptane
1729	CH(CN)₃	tricyanomethane	mecn3
1730	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1731	C₆H₇N	2-Methylpyridine	mp
1732	C₆H₅NH₂	aniline	aniline
1733	C₆H₁₃N	2-Methylpiperidine	pip2m
1734	C₆H₁₃N	cyclohexanamine	cham
1735	C₆H₁₅N	triethylamine	tea
1736	N₂O₅	Dinitrogen pentoxide	n2o5
1737	C₄H₂O₃	Maleic Anhydride	malan
1738	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1739	C₅H₄O₂	furfural	furfural
1740	C₆H₅O	phenoxy radical	phenoxy
1741	C₅H₅NO	2(1H)-Pyridinone	c72762006
1742	C₅H₅NO	2(3H)-Pyridinone	c9000048
1743	C₅H₅NO	2(5H)-Pyridinone	c9000037
1744	C₅H₅NO	2-Pyridinol	c109104
1745	C₅H₅NO	3(2H)-Pyridinone	c9000004
1746	C₅H₅NO	3(4H)-Pyridinone	c9000026
1747	C₅H₅NO	3(6H)-Pyridinone	c9000015
1748	C₅H₅NO	3-Pyridinol	c109002
1749	C₅H₅NO	4(1H)-Pryidinone	c9000060
1750	C₅H₅NO	4(3H)-Pryidinone	c9000059
1751	C₅H₅NO	4-Pyridinol	c626642
1752	C₆H₅OH	phenol	phenol
1753	C₆H₆O	2,4-Cyclohexadienone	c24599573
1754	C₆H₆O	2,5-Cyclohexadienone	c5664335
1755	C₆H₅SH	Benzenethiol	phsh
1756	HO₂CCHNH₂CH₂OH	Serine	serine
1757	C₅H₈O₂	Acetylacetone	acac
1758	C₄H₈O₂S	Sulfolane	sulfolane
1759	C₇H₁₀	Norbornene	norbornene
1760	CH(C₂H₃)₃	trivinyl methane	tvm
1761	C₆H₁₀O	cyclohexanone	chexo
1762	C₆H₁₂O	hexanal	c6h12o
1763	C₆H₁₂O	Oxepane	oxepane
1764	C₃H₇OC₃H₇	di-n-propyl ether	propr
1765	F₂CCCF₂	tetrafluoroallene	pfa
1766	CF₃COO^-	trifluoro acetate anion	cf3coo-
1767	CF₃COF	trifluoroacetyl fluoride	cf3cof
1768	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1769	PF₆	Hexafluorophosphate neutral	pf6
1770	SF₆	Sulfur Hexafluoride	sf6
1771	SeF₆	Selenium hexafluoride	sef6
1772	SF₅Cl	sulfur chloropentafluoride	sf5cl
1773	CF₃CHF₂	pentafluoroethane	cf3chf2
1774	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1775	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1776	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1777	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1778	C₆H₅F	Fluorobenzene	bzf
1779	C₆H₅Cl	chlorobenzene	bzcl
1780	C₆H₅Br	bromobenzene	bzbr
1781	C₈H₆	Calicene	calicene
1782	C₆H₅CCH	phenylacetylene	phac
1783	C₈H₆	benzocyclobutadiene	bcbd
1784	C₈H₆	Pentalene	pentalene
1785	C₆H₅CHCH₂	Styrene	styrene
1786	C₈H₈	cubane	cubane
1787	C₈H₈	cyclooctatetraene	cot
1788	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1789	CH₃C₆H₄CH₃	meta-xylene	mxylene
1790	CH₃C₆H₄CH₃	paraxylene	pxylene
1791	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1792	C₈H₁₆	cyclooctane	cyclooct
1793	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1794	C₈H₁₈	Octane	c8h18
1795	C₆H₅CN	phenyl cyanide	phcn
1796	C₆H₁₂N₂	Triethylenediamine	ted
1797	C₄O₄^--	squarate dianion	c4o4--
1798	S₄N₄	Tetrasulfur tetranitride	s4n4
1799	S₈	Octasulfur	s8
1800	C₆H₄O₂	parabenzoquinone	pbq
1801	C₄H₄N₂O₂	Uracil	uracil
1802	C₆H₅CHO	benzaldehyde	benzal
1803	C₆H₅OCH₃	Anisole	anisole
1804	C₅H₉NO₂	Proline	proline
1805	C₆H₁₂O₂	Methyl pivalate	c598981
1806	C₆H₁₂O₂	Hexanoic acid	hexa
1807	C₄F₄	tetrafluorcyclobutadiene	c4f4
1808	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1809	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1810	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1811	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1812	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1813	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1814	C₂F₆	hexafluoroethane	c2f6
1815	C₂Cl₆	hexachloroethane	c2cl6
1816	IF₇	Iodine heptafluoride	if7
1817	C₆H₄F₂	metadifluorobenzene	mdfb
1818	C₆H₄F₂	orthodifluorobenzene	odfb
1819	C₆H₄F₂	1,4-difluorobenzene	pdfb
1820	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1821	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1822	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1823	C₆H₅NO	nitrosobenzene	bzno
1824	C₉H₈	Indene	indene
1825	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1826	C₉H₁₂	n-propyl benzene	prbz
1827	C₉H₂₀	Nonane	nonane
1828	C(CN)₄	tetracyanomethane	c5n4
1829	C₅H₄N₄	purine	purine
1830	C₈H₇N	Indole	indole
1831	C₃H₃N₃O₃	cyanuric acid	cyanuric
1832	C₆H₅NO₂	Nitrobenzene	c6h5no2
1833	C₆H₅COOH	benzoic acid	benzo
1834	CH₃COC₆H₅	acetophenone	acph
1835	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1836	C₃F₆	hexafluoropropene	c3f6
1837	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1838	C₈H₁₈O	1-Octanol	octanol
1839	C₁₀H₈	Azulene	azu
1840	C₁₀H₈	naphthalene	naph
1841	C₁₀H₁₀	bullvalene	bullv
1842	C₁₀H₁₆	adamantane	adamantane
1843	C₆N₄	Tetracyanoethylene	tcne
1844	C₆N₄^-	tetracyanoethylene anion	tcne-
1845	C₁₀H₂₂	Decane	decane
1846	C₄F₆	perfluorobutadiene	c4f6
1847	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1848	C₃F₈	perfluoropropane	c3f8
1849	Fe(CO)₅	Iron pentacarbonyl	ipc
1850	Fe(C₅H₅)₂	ferrocene	fecp2
1851	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1852	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1853	C₁₂H₈	Acenaphthylene	acenaph
1854	C₁₂H₈	biphenylene	biph
1855	C₁₂H₁₀	biphenyl	biphenyl
1856	C₁₂H₁₀	Heptalene	heptalene
1857	C₆H₁₂O₆	Inositol	inositol
1858	C₆F₆	hexafluorobenzene	c6f6
1859	S₂F₁₀	disulphur decafluoride	s2f10
1860	C₁₃H₁₀	Fluorene	fluorene
1861	C₁₄H₁₀	Anthracene	anth
1862	C₁₄H₁₀	Phenanthrene	phenanthrene
1863	C₁₄H₁₄	Bibenzyl	bibenzyl
1864	C₁₂H₁₀N₂	azobenzene	azobenzene
1865	C₆H₅COC₆H₅	benzophenone	benzophenone
1866	C₁₆H₁₀	Pyrene	pyrene
1867	C₁₈H₁₂	Tetracene	tetracene
1868	C₁₉H₁₆	Triphenylmethane	tpm
1869	C₂₄H₁₂	Coronene	coronene
1870	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