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

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

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	He	Helium atom	¹S	K_h
3	He	Helium atom
4	Li^-	Lithium atom anion	¹S	K_h
5	LiH	Lithium Hydride	¹Σ	C_∞v
6	BeH	beryllium monohydride	²Σ	C_∞v
7	MgH	magnesium monohydride	²Σ	C_∞v
8	TiH	Titanium monohydride	⁴Φ	C_∞v
9	BeH₂⁺	Beryllium dihydride cation
10	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
11	Al	Aluminum atom	²P	K_h
12	Al^-	Aluminum atom anion	³P	K_h
13	Al⁺	Aluminum atom cation	¹S	K_h
14	Sc	Scandium atom	²D	K_h
15	Sc⁺	Scandium cation	³D	K_h
16	BH	Boron monohydride	¹Σ	C_∞v
17	BH	Boron monohydride	³Π	C_∞v
18	ScH	Scandium monohydride	¹Σ	C_∞v
19	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
20	BH₃⁺	boron trihydride cation	²B₂	C_2v
21	BH₃⁺	boron trihydride cation		C_2v
22	AlH₃	aluminum trihydride	¹A₁^'	D_3h
23	ScH₃	Scandium trihydride	¹A₁^'	D_3h
24	ScH₃	Scandium trihydride	¹A₁	C_3v
25	BH₄	borohydride	²B₂	C_2v
26	C	Carbon atom	³P₀	K_h
27	C^-	Carbon atom anion	²D	K_h
28	Si^-	Silicon atom anion	⁴S	K_h
29	SiH	Silylidyne	²Π	C_∞v
30	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
31	GeH	germylidene	²Π	C_∞v
32	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
33	CH₂	Methylene	³B₁	C_2v
34	CH₂	Methylene	³Σ_G	D_∞h
35	CH₂	Methylene	¹A₁	C_2v
36	CH₂^-	methylene anion	²B₁	C_2v
37	CH₂⁺	methylene cation	²A₁	C_2v
38	CH₂⁺	methylene cation	²Π	D_∞h
39	GeH₂	germylene	¹A₁	C_2v
40	CH₃	Methyl radical	²A₁	D_3h
41	CH₃^-	methyl anion	¹A₁	C_3v
42	CH₃⁺	methyl cation	¹A₁^'	D_3h
43	SiH₃	Silyl radical	²A₁	C_3v
44	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
45	CH₄	Methane	¹A₁	T_d
46	CH₄^-	Methane anion	²A₁	T_d
47	SiH₄	Silane	¹A₁	T_d
48	N	Nitrogen atom	⁴S	K_h
49	P	Phosphorus atom	⁴S	K_h
50	V	Vanadium atom	⁴F	K_h
51	V⁺	Vanadium atom cation	⁵D	K_h
52	As	Arsenic atomic	⁴S	K_h
53	As^-	Arsenic anion	³P	K_h
54	As⁺	Arsenic cation	³P	K_h
55	PH	phosphorus monohydride	³Σ^-	C_∞v
56	NH₂	Amino radical	²B₁	C_2v
57	NH₂⁺	Amino cation	¹A₁	C_2v
58	NH₃	Ammonia	¹A₁	C_3v
59	NH₃^-	Ammonia anion	²A₁	C_3v
60	NH₃⁺	ammonia cation	²A₂^"	D_3h
61	PH₃	Phosphine	¹A₁	C_3v
62	PH₃⁺	Phosphine cation	²A₁	C_3v
63	NH₄⁺	ammonium cation	¹A₁	T_d
64	PH₄	Phosphoranyl radical
65	PH₄⁺	phosphonium cation
66	S	Sulfur atom	³P	K_h
67	S^-	Sulfur atom anion	²P	K_h
68	S⁺	Sulfur atom cation	⁴S	K_h
69	OH	Hydroxyl radical	²Π	C_∞v
70	OH^-	hydroxide anion	¹Σ	C_∞v
71	OH⁺	hydoxyl cation	³Σ	C_∞v
72	HS	Mercapto radical	²Π	C_∞v
73	HS^-	mercapto anion	¹Σ	C_∞v
74	HS⁺	sulfur monohydride cation	³Σ	C_∞v
75	CrH	Chromium hydride	⁶Σ	C_∞v
76	HSe⁺	selenium monohydride cation	³Σ	C_∞v
77	H₂O	Water	¹A₁	C_2v
78	H₂O^-	water anion	²A₁	C_2v
79	H₂O^-	water anion	²A^'	C_s
80	H₂O⁺	water cation	²B₁	C_2v
81	HDO	Water-d1	¹A₁	C_2v
82	H₂S	Hydrogen sulfide	¹A₁	C_2v
83	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
84	H₃O⁺	hydronium cation	¹A₁	C_3v
85	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
86	F^-	Fluorine atom anion	¹S	K_h
87	F⁺	Fluorine atom cation	³S	K_h
88	F⁺	Fluorine atom cation	¹D	K_h
89	Cl	Chlorine atom	²P	K_h
90	Cl^-	Chlorine atom anion	¹S	K_h
91	Cl⁺	Chlorine atom cation	³P	K_h
92	Cl⁺	Chlorine atom cation	¹D	K_h
93	HF	Hydrogen fluoride	¹Σ	C_∞v
94	HCl⁺	hydrogen chloride cation	²Π	C_∞v
95	HBr	hydrogen bromide	¹Σ	C_∞v
96	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
97	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
98	Ne	Neon atom	¹S	K_h
99	Ne	Neon atom
100	Kr	Krypton atom	¹S	K_h
101	Kr⁺	Krypton cation	²P	K_h
102	ArH⁺	Argon hydride cation	¹Σ	C_∞v
103	KrH⁺	Protonated Krypton	¹Σ	C_∞v
104	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
105	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
106	BeMg	Beryllium Magnesium	¹Σ	C_∞v
107	LiB	Lithium boride	³Π	C_∞v
108	NaAl	Sodium aluminum	¹Σ	C_∞v
109	BeB	Beryllium monoboride	²Π	C_∞v
110	B₂	Boron diatomic	¹Σ_g	D_∞h
111	B₂	Boron diatomic	⁵Σ_u	D_∞h
112	B₂⁺	Boron diatomic cation	²Π	D_∞h
113	BAl	Boron Aluminum	³Σ	C_∞v
114	BGa	Boron Gallium	³Σ	C_∞v
115	AlGa	Aluminum Gallium	³Σ	C_∞v
116	AlGa	Aluminum Gallium	¹Σ	C_∞v
117	Ga₂	Gallium diatomic	³P_iu
118	HBBH	Diborane(2)	³Σ_G	D_∞h
119	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
120	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
121	B₂H₆	Diborane	¹A_g	D_2h
122	B₂H₆⁺	Diborane cation
123	Ga₂H₆	digallane	¹A_G	D_2h
124	BeC	Beryllium Carbide	³Σ^-	C_∞v
125	BeC	Beryllium Carbide
126	CaC	Calcium monocarbide
127	AlC	Aluminum carbide	⁴Σ	C_∞v
128	BSi	Boron silicide	²Σ	C_∞v
129	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
130	C₂	Carbon diatomic	³Σ_g^-
131	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
132	SiGe	Silicon Germanium
133	C₂H	Ethynyl radical	²Σ	C_∞v
134	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
135	H₂CC^-	vinylidene anion
136	CH₂BH	methyleneborane	¹A₁	C_2v
137	C₂H₃	vinyl	²A^'	C_s
138	C₂H₃^-	vinyl anion	¹A^'	C_s
139	C₂H₄^-	Ethylene anion	²A_g	C_2h
140	C₂H₄⁺	Ethylene cation	²B₃	D₂
141	CH₃BH₂	methylborane	¹A^'	C_s
142	C₂H₅	Ethyl radical	²A^'	C_s
143	C₂H₆	Ethane	¹A_1g	D_3d
144	Si₂H₆	disilane	¹E_u	D_3d
145	LiP	Lithium monophosphide
146	LiP	Lithium monophosphide
147	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
148	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
149	MgN	Magnesium Nitride
150	BP	Boron monophosphide	³Π	C_∞v
151	BP	Boron monophosphide	¹Σ	C_∞v
152	AlP	Aluminum monophosphide	¹Σ	C_∞v
153	GaP	Gallium monophosphide	³Σ	C_∞v
154	GaP	Gallium monophosphide	¹Σ	C_∞v
155	GaAs	Gallium arsenide	³Π
156	GaAs	Gallium arsenide	¹Σ
157	BN	boron nitride	³Π	C_∞v
158	BN	boron nitride	¹Σ	C_∞v
159	CN	Cyano radical	²Σ	C_∞v
160	CN^-	cyanide anion	¹Σ	C_∞v
161	SiP	Silicon monophosphide	²Π	C_∞v
162	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
163	HCN	Hydrogen cyanide	¹Σ	C_∞v
164	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
165	HNC⁺	hydrogen isocyanide cation
166	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
167	N₂H₂	(E)-diazene	¹A_g	C_2h
168	N₂H₂	(Z)-Diazene	¹A₁	C_2v
169	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
170	CH₂NH⁺	Methanimine cation
171	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
172	N₂H₄⁺	hydrazine cation	²A_G	C_2h
173	CH₃NH₂	methyl amine	¹A^'	C_s
174	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
175	BH₃NH₃	borane ammonia	¹A₁	C_3v
176	N₂H₇⁺	ammonia ammonium dimer
177	LiO	lithium oxide	²Σ	C_∞v
178	LiS	Lithium monosulfide	²Π	C_∞v
179	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
180	NaO	sodium monoxide	²Σ	C_∞v
181	NaS	Sodium sulfide	²Π	C_∞v
182	CaS	Calcium sulfide	¹Σ	C_∞v
183	BO	boron monoxide	²Σ	C_∞v
184	ScO	Scandium monoxide	²Σ	C_∞v
185	CO	Carbon monoxide	¹Σ	C_∞v
186	CO^-	carbon monoxide anion	²Π	C_∞v
187	CO⁺	carbon monoxide cation	²Σ	C_∞v
188	TiO	Titanium monoxide	³Δ	C_∞v
189	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
190	SiSe	Silicon Monoselenide
191	SiSe⁺	Silicon Monoselenide cation
192	NO	Nitric oxide	²Π	C_∞v
193	NO^-	nitric oxide anion	³Σ	C_∞v
194	NO⁺	nitric oxide cation	¹Σ	C_∞v
195	NS	Mononitrogen monosulfide	²Π	C_∞v
196	PO	Phosphorus monoxide	²Π	C_∞v
197	PS	phosphorus sulfide	²Σ	C_∞v
198	VO	Vanadium monoxide	⁴Σ^-
199	NSe	Nitrogen monoselenide	²Π	C_∞v
200	AsS	Arsenic monosulfide	²Π	C_∞v
201	PSe	Phosphorus monoselenide	²Π	C_∞v
202	O₂^-	oxygen diatomic anion	²Π	D_∞h
203	SO⁺	sulfur monoxide cation	²Π	C_∞v
204	S₂	Sulfur diatomic	³Σ_g	D_∞h
205	LiOH	lithium hydroxide	¹Σ	C_∞v
206	HBO	Boron hydride oxide	¹Σ	C_∞v
207	COH	Hydroxymethylidyne
208	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
209	HCO^-	formyl anion	¹A^'	C_s
210	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
211	NOH	Hydroxyimidogen	³A^"	C_s
212	NOH⁺	O-protonated nitric oxide	²A^'	C_s
213	HO₂	Hydroperoxy radical	²A^"	C_s
214	HO₂⁺	Hydroperoxy cation	³A^"	C_s
215	HSO⁺	Sulfur Monoxide, S-protonated
216	H₂CO^-	formaldehyde anion	²A^'	C_s
217	H₂CO⁺	formaldehyde cation	²B₂	C_2v
218	H₂CS	Thioformaldehyde	¹A₁	C_2v
219	H₂NO	nitroxide	²B₁	C_2v
220	H₂NO	nitroxide	²A^'	C_s
221	H₂O₂	Hydrogen peroxide	¹A	C₂
222	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
223	H₂S₂	Disulfane	¹A	C₂
224	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
225	CH₂OH	Hydroxymethyl radical	²A	C₁
226	CH₃O⁺	Methoxy cation	³A₁	C_3v
227	NH₂OH	hydroxylamine	¹A^'	C_s
228	NH₂OH⁺	Hydroxylamine cation
229	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
230	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
231	CH₃SH	Methanethiol	¹A^'	C_s
232	CH₃SH⁺	Methanethiol cation	²A^"	C_s
233	H₂OH₂O	water dimer	¹A^'	C_s
234	LiCl	lithium chloride	¹Σ	C_∞v
235	NaF	sodium fluoride	¹Σ	C_∞v
236	NaCl	Sodium Chloride	¹Σ	C_∞v
237	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
238	ZnF	Zinc monofluoride	²Σ	C_∞v
239	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
240	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
241	CF	Fluoromethylidyne	²Π	C_∞v
242	SiF	silicon monofluoride	²Π	C_∞v
243	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
244	NCl	nitrogen monochloride	³Σ	C_∞v
245	AsF	Arsenic monofluoride	³Σ	C_∞v
246	AsCl	Arsenic monochloride	³Σ	C_∞v
247	FO	Oxygen monofluoride	²Π	C_∞v
248	SF	Monosulfur monofluoride	²Π	C_∞v
249	SeF	Selenium monofluoride	²Π	C_∞v
250	SeCl	Selenium monochloride	²Π	C_∞v
251	F₂	Fluorine diatomic	¹Σ_g	D_∞h
252	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
253	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
254	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
255	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
256	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
257	HCF	Fluoromethylene	¹A^'	C_s
258	HCF	Fluoromethylene	³A^"	C_s
259	CH₂F	fluoromethyl radical	²A	C_s
260	CH₃Cl	Methyl chloride	¹A₁	C_3v
261	LiNe⁺	Lithium Neon cation
262	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
263	Ar₂	Argon diatomic	¹S_g	D_∞h
264	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
265	Li₃	Lithium trimer	²B₂	C_2v
266	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
267	C₃	carbon trimer	¹Σ_g	D_∞h
268	C₃	carbon trimer	¹A₁	C_2v
269	C₃H₃	cyclopropenyl radical	²A^'	C_s
270	C₃H₅	Allyl radical	²A^"	C_s
271	LiCN	lithium cyanide	¹Σ	C*V LiCN
272	LiCN	lithium cyanide	¹A^'	C_s
273	NaCN	Sodium Cyanide	¹Σ	C_∞v
274	NaCN	Sodium Cyanide	¹A	C_s
275	N₃	azide radical	²Π_g	D_∞h
276	N₃⁺	azide cation	³Σ_g	D_∞h
277	N₃⁺	azide cation	³Σ	C_∞v
278	HCCN	cyanomethylene	³A^"	C_s
279	NH₂CN	cyanamide	¹A₁	C_2v
280	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
281	CH₂CHNH	vinylazine	²A^"	CS cis
282	Li₂O	dilithium oxide	¹Σ_g	D_∞h
283	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
284	Li₂S	dilithium sulfide	¹A₁	C_2v
285	CCO	Dicarbon monoxide	³Σ	C_∞v
286	CCO	Dicarbon monoxide	¹Π	C_∞v
287	NCO	isocyanato radical	²Π	C_∞v
288	N₂O	Nitrous oxide	¹Σ	C_∞v
289	N₂O^-	Nitrous oxide anion	²A^'	C_s
290	OCS	Carbonyl sulfide	¹Σ	C_∞v
291	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
292	NO₂	Nitrogen dioxide	²A₁	C_2v
293	O₃	Ozone	¹A₁	C_s
294	S₃	Sulfur trimer	¹A₁	C_2v
295	S₃⁺	Sulfur trimer cation	²B₂	C_2v
296	HCNO	fulminic acid	¹Σ	C_∞v
297	HCNO	fulminic acid	¹A^'	C_s
298	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
299	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
300	O₃H⁺	protonated ozone	¹A^'	C_s
301	Be(OH)₂	Beryllium hydroxide
302	H₂COO	Dioxymethyl radical	²A^'	C_s
303	HCOOH	Formic acid	¹A^'	C_s
304	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
305	BH₃CO	Borane carbonyl	¹A₁	C_3v
306	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
307	CH₃NO	nitrosomethane	¹A^'	C_s
308	CuF₂	Copper difluoride	²Π_g	D_∞h
309	CNF	iso cyanogen fluoride	¹Σ	C_∞v
310	FCO	Carbonyl fluoride	²A^'	C_s
311	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
312	ClCO	carbonyl monochloride	²A^'	C_s
313	FSN	Thiazyl fluoride	¹A^'	C_s
314	CF₂	Difluoromethylene	¹A₁	D_∞h
315	CFCl	chlorofluoromethylene	¹A^'	C_s
316	OClO^-	Chlorine dioxide anion	¹A^'	C_s
317	HFCO⁺	formyl fluoride cation	²A^'	C_s
318	C₄H₂	Diacetylene	¹Σ_g	D_∞h
319	Li₃N	trilithium nitride	¹A^'	D_3h
320	C₄H₈	cyclobutane	¹A₁	D_2d
321	C₃O	Tricarbon monoxide	¹Σ	C_∞v
322	ONNO	NO dimer	¹A_g	trans C2H
323	NH₂COOH	Carbamic acid	¹A^'	C_s
324	NH₂COOH	Carbamic acid	¹A	C₁
325	NH₂CONH₂	Urea	¹A₁	C_2v
326	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
327	C₃H₆O	Oxetane	¹A₁	C_2v
328	C₃H₆O	Oxetane	¹A^'	C_s
329	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
330	BrONO₂	Bromine nitrate	¹A^'	C_s
331	TiF₄	Titanium tetrafluoride	¹A₁	T_d

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 diatomic anion	h2-
9	H₂⁺	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H₃⁺	hydrogen trimer cation	h3+
12	He^-	Helium atom anion	he-
13	He⁺	Helium atom cation	he+
14	HeH	Helium hydride	heh
15	HeH⁺	Helium hydride cation	heh+
16	He₂⁺	helium diatomic cation	he2+
17	Li	Lithium atom	li
18	Li⁺	Lithium atom cation	li+
19	Na	Sodium atom	na
20	Na^-	Sodium atom anion	na-
21	Na⁺	Sodium atom cation	na+
22	K	Potassium atom	k
23	K^-	Potassium atom anion	k-
24	K⁺	Potassium atom cation	k+
25	Cu	Copper atom	cu
26	Cu^-	Copper atom anion	cu-
27	Cu⁺	Copper atom cation	cu+
28	LiH^-	lithium hydride anion	lih-
29	LiH⁺	lithium hydride cation	lih+
30	NaH	sodium hydride	nah
31	NaH^-	sodium hydride anion	nah-
32	NaH⁺	sodium hydride cation	nah+
33	KH	Potassium hydride	kh
34	KH⁺	Potassium hydrogen cation	kh+
35	CuH	Copper monohydride	cuh
36	Be	Beryllium atom	be
37	Be^-	Beryllium atom anion	be-
38	Be⁺	Beryllium atom cation	be+
39	Mg	Magnesium atom	mg
40	Mg^-	Magnesium atom anion	mg-
41	Mg⁺	Magnesium atom cation	mg+
42	Ca	Calcium atom	ca
43	Ca^-	Calcium atom anion	ca-
44	Ca⁺	Calcium atom cation	ca+
45	Zn	Zinc atom	zn
46	Zn^-	Zinc atom anion	zn-
47	Zn⁺	Zinc atom cation	zn+
48	BeH^-	berylium monohydride anion	beh-
49	BeH⁺	beryllium monohydride cation	beh+
50	MgH^-	magnesium monohydride anion	mgh-
51	MgH⁺	magnesium monohydride cation	mgh+
52	CaH	Calcium monohydride	cah
53	CaH⁺	Calcium monohydride cation	cah+
54	ZnH	Zinc monohydride	znh
55	ZnH⁺	Zinc, protonated	znh+
56	BeH₂	beryllium dihydride	beh2
57	CaH₂	Calcium Hydride	cah2
58	ZnH₂	Zinc hydride	znh2
59	B	Boron atom	b
60	B^-	Boron atom anion	b-
61	B⁺	Boron atom cation	b+
62	Ga	Gallium atom	ga
63	Ga^-	Gallium atom anion	ga-
64	Ga⁺	Gallium atom cation	ga+
65	BH^-	boron monohydride anion	bh-
66	BH⁺	boron monohydride cation	bh+
67	AlH	aluminum monohydride	alh
68	AlH^-	aluminum monohydride anion	alh-
69	AlH⁺	aluminum monohydride cation	alh+
70	ScH⁺	Scandium monohydride cation	sch+
71	GaH	Gallium monohydride	gah
72	BH₂	boron dihydride	bh2
73	BH₂^-	boron dihydride anion	bh2-
74	BH₂⁺	Boron dihydride cation	bh2+
75	AlH₂	aluminum dihydride	alh2
76	AlH₂^-	aluminum dihydride anion	alh2-
77	AlH₂⁺	aluminum dihydride cation	alh2+
78	BH₃	boron trihydride	bh3
79	BH₃^-	boron trihydride anion	bh3-
80	AlH₃^-	aluminum trihydride anion	alh3-
81	AlH₃⁺	aluminum trihydride cation	alh3+
82	GaH₃	Gallium trihydride	gah3
83	BH₄^-	borohydride anion	bh4-
84	AlH₄^-	Aluminum tetrahydride anion	alh4-
85	C^-	Carbon atom anion	c-
86	C⁺	Carbon atom cation	c+
87	Si	Silicon atom	si
88	Si⁺	Silicon atom cation	si+
89	Ti	Titanium atom	ti
90	Ti^-	Titanium atom anion	ti-
91	Ti⁺	Titanium atom cation	ti+
92	Ge	Germanium atom	ge
93	Ge^-	Germanium anion	ge-
94	Ge⁺	Germanium cation	ge+
95	Sn	Tin atom	sn
96	Sn⁺	Tin cation	sn+
97	CH	Methylidyne	ch
98	CH^-	methylidyne anion	ch-
99	CH⁺	Methylidyne cation	ch+
100	SiH^-	silicon monohydride anion	sih-
101	SiH₂	silicon dihydride	sih2
102	SiH₂^-	silicon dihydride anion	sih2-
103	SiH₂⁺	silicon dihydride cation	sih2+
104	GeH₂^-	germylene anion	geh2-
105	SiH₃^-	Silyl anion	sih3-
106	GeH₃	Germyl radical	geh3
107	GeH₃⁺	germyl cation	geh3+
108	CD₄	methane-d4	cd4
109	CH₂D₂	methane-d2	ch2d2
110	CH₃D	methane-d	ch3d
111	CH₄⁺	Methane cation	ch4+
112	CHD₃	methane-d3	chd3
113	SiH₂D₂	silane-d2	sih2d2
114	SiH₄⁺	Silane cation	sih4+
115	GeH₄	Germane	geh4
116	SnH₄	Stannane	snh4
117	SiH₅⁺	Silane, protonated	sih5+
118	N^-	Nitrogen atom anion	n-
119	N⁺	Nitrogen atom cation	n+
120	P^-	Phosphorus atom anion	p-
121	P⁺	Phosphorus atom cation	p+
122	Sb	Antimony atom	sb
123	NH	Imidogen	nh
124	NH^-	Imidogen anion	nh-
125	NH⁺	imidogen cation	nh+
126	PH^-	phosphorus monohydride anion	ph-
127	PH⁺	phosphorus monohydride cation	ph+
128	AsH	Arsenic monohydride	ash
129	AsH⁺	Arsenic monohydride cation	ash+
130	SbH	Antimony monohydride	sbh
131	ND₂	Amidogen-d2	nd2
132	NH₂^-	amino anion	nh2-
133	NH₂⁺	Amino cation	nh2+
134	PH₂	Phosphino radical	ph2
135	PH₂^-	Phosphino anion	ph2-
136	PH₂⁺	Phosphino cation	ph2+
137	AsH₂	Arsenic dihydride	ash2
138	AsH₂⁺	Arsenic dihydride cation	ash2+
139	ND₃	Ammonia-d3	nd3
140	AsH₃	Arsine	ash3
141	AsH₃⁺	Arsine cation	ash3+
142	SbH₃	Stibine	sbh3
143	AsH₄⁺	Arsonium	ash4+
144	NH₄	Ammonium radical	nh4
145	O	Oxygen atom	o
146	O^-	Oxygen atom anion	o-
147	O⁺	Oxygen atom cation	o+
148	Cr	Chromium atom	cr
149	Se	Selenium atom	se
150	Se^-	Selenium atom anion	se-
151	Se⁺	Selenium atom cation	se+
152	Te	Tellurium atom	te
153	Te⁺	Tellurium atom cation	te+
154	DO	Hydroxyl-d	od
155	DS	Mercapto-d	ds
156	CrH⁺	Chromium hydride cation	crh+
157	HSe	Selenium monohydride	hse
158	HSe^-	selenium monohydride anion	hse-
159	TeH	Telluryl radical	teh
160	D₂O	Deuterium oxide	d2o
161	D₂S	Hydrogen sulfide-d2	d2s
162	H₂S^-	Hydrogen sulfide anion	h2s-
163	H₂Se	Hydrogen selenide	h2se
164	H₂Se⁺	Hydrogen selenide cation	h2se+
165	H₂Te	Hydrogen Telluride	h2te
166	H₃S⁺	Sulfonium cation	h3s+
167	F	Fluorine atom	f
168	Mn	Manganese atom	mn
169	Br	Bromine atom	br
170	Br^-	Bromine atom anion	br-
171	Br⁺	Bromine atom cation	br+
172	I	Iodine atom	iodine
173	I^-	Iodine atom anion	iodine-
174	I⁺	Iodine atom cation	iodine+
175	DF	Hydrofluoric acid-d	df
176	HF^-	hydrogen fluoride anion	hf-
177	HF⁺	hydrogen fluoride cation	hf+
178	DCl	Hydrochloric acid-d	dcl
179	HCl	Hydrogen chloride	hcl
180	HCl^-	hydrogen chloride anion	hcl-
181	HBr^-	hydrogen bromide anion	hbr-
182	HBr⁺	hydrogen bromide cation	hbr+
183	HI	Hydrogen iodide	hi
184	HI⁺	Hydrogen iodide cation	hi+
185	H₂F⁺	dihydrogen fluoride cation	h2f+
186	H₂I⁺	Iodonium	h2i+
187	Ne^-	Neon atom anion	ne-
188	Ne⁺	Neon atom cation	ne+
189	Ar	Argon atom	ar
190	Ar^-	Argon atom anion	ar-
191	Ar⁺	Argon atom cation	ar+
192	Fe	Iron atom	fe
193	Xe	Xenon atom	xe
194	HeLi⁺	Helium Lithium cation	heli+
195	NeH	neon hydrogen	neh
196	NeH⁺	neon hydrogen cation	neh+
197	XeH⁺	Xenon, protonated	xeh+
198	Co	Cobalt atom	cobalt
199	Ni	Nickel atom	ni
200	Li₂	Lithium diatomic	li2
201	Li₂^-	lithium diatomic anion	li2-
202	Li₂⁺	lithium diatomic cation	li2+
203	NaLi	lithium sodium	lina
204	NaLi^-	lithium sodium anion	lina-
205	NaLi⁺	lithium sodium cation	lina+
206	LiK	Lithium Potassium	lik
207	Na₂	Sodium diatomic	na2
208	Na₂^-	sodium diatomic anion	na2-
209	NaK	Sodium Potassium	nak
210	NaK⁺	Sodium Potassium diatomic cation	nak+
211	K₂	Potassium diatomic	k2
212	Cu₂	Copper diatomic	cu2
213	LiBe	Lithium Beryllium	libe
214	LiMg	Lithium magnesium	limg
215	NaBe	Sodium Beryllium	nabe
216	NaMg	Sodium Magnesium	namg
217	Be₂	Beryllium diatomic	be2
218	Be₂^-	Beryllium diatomic anion	be2-
219	Be₂⁺	Beryllium diatomic cation	be2+
220	Mg₂	Magnesium diatomic	mg2
221	Mg₂^-	magnesium diatomic anion	mg2-
222	Mg₂⁺	magnesium diatomic cation	mg2+
223	Ca₂	Calcium diatomic	ca2
224	LiAl	Lithium Aluminum	lial
225	B₂	Boron diatomic	b2
226	B₂^-	Boron diatomic anion	b2-
227	Al₂	Aluminum diatomic	al2
228	Al₂^-	aluminum diatomic anion	al2-
229	Al₂⁺	aluminum diatomic cation	al2+
230	LiBH₄	Lithium borohydride	libh4
231	Al₂H₆	dialane	al2h6
232	LiC	Lithium Carbide	lic
233	BC	boron monocarbide	bc
234	BC^-	boron monocarbide anion	bc-
235	BC⁺	boron monocarbide cation	bc+
236	BSi	Boron silicide	bsi
237	C₂^-	carbon diatomic anion	c2-
238	SiC	silicon monocarbide	sic
239	SiC^-	silicon monocarbide anion	sic-
240	SiC⁺	silicon monocarbide cation	sic+
241	Si₂	Silicon diatomic	si2
242	Si₂^-	silcon diatomic anion	si2-
243	Si₂⁺	silcon diatomic cation	si2+
244	GeC	Germanium monocarbide	gec
245	Ge₂	Germanium diatomic	ge2
246	C₂H^-	Ethynyl anion	c2h-
247	C₂H⁺	Ethynyl cation	c2h+
248	ZnCH₂	Zinc methylene	znch2
249	C₂H₂	Acetylene	c2h2
250	CCH₂	vinylidene	vinylidene
251	HCCH^-	acetylene anion	c2h2-
252	Si₂H₂	disilyne	si2h2
253	CH₃Li	methyl lithium	ch3li
254	CuCH₃	monomethyl copper	cuch3
255	ZnCH₃	Zinc monomethyl	znch3
256	C₂H₃⁺	vinyl cation	c2h3+
257	C₂H₄	Ethylene	c2h4
258	CH₃CH	methylmethylene	ch3ch
259	CH₂SiH₂	silaethylene	ch2sih2
260	Si₂H₄	Disilene	si2h4
261	C₂H₅^-	Ethyl anion	c2h5-
262	C₂H₅⁺	Ethyl cation	c2h5+
263	C₂H₆⁺	ethane cation	c2h6+
264	CH₃SiH₃	methyl silane	ch3sih3
265	GeH₃CH₃	methyl germane	geh3ch3
266	C₂H₇⁺	Ethane, protonated	c2h7+
267	LiN	Lithium Nitride	lin
268	LiN⁺	Lithium Nitride cation	lin+
269	BeN	Beryllium mononitride	ben
270	BeN^-	Beryllium mononitride anion	ben-
271	MgN	Magnesium Nitride	mgn
272	BN^-	boron nitride anion	bn-
273	AlN^-	aluminum mononitride anion	aln-
274	AlN⁺	aluminum mononitride cation	aln+
275	AlP	Aluminum monophosphide	alp
276	GaN	Gallium mononitride	gan
277	BN⁺	boron nitride cation	bn+
278	AlN	Aluminum nitride	aln
279	CN⁺	Cyano cation	cn+
280	CP	Carbon monophosphide	cp
281	CP^-	carbon monophosphide anion	cp-
282	CP⁺	carbon monophosphide cation	cp+
283	SiN	Silicon nitride	sin
284	SiN^-	silicon mononitride anion	sin-
285	SiN⁺	silicon mononitride cation	sin+
286	SiP^-	Silicon monophosphide anion	sip-
287	SiP⁺	Silicon monophosphide cation	sip+
288	TiN	Titanium mononitride	tin
289	N₂	Nitrogen diatomic	n2
290	N₂⁺	diatomic nitrogen cation	n2+
291	PN	Phosphorus mononitride	pn
292	PN^-	phosphorus nitride anion	pn-
293	PN⁺	phosphorus nitride cation	pn+
294	P₂	Phosphorus diatomic	p2
295	P₂^-	phosphorus diatomic anion	p2-
296	P₂⁺	phosphorus diatomic cation	p2+
297	AsN	Arsenic mononitride	asn
298	AsP	Arsenic monophosphide	asp
299	SbN	Antimony nitride	sbn
300	As₂	Arsenic diatomic	as2
301	HNB	hydrogen nitrogen boron	hnb
302	HNC	hydrogen isocyanide	hnc
303	HCN^-	Hydrogen cyanide anion	hcn-
304	HCP	Phosphaethyne	hcp
305	HCP⁺	Phosphaethyne cation	hcp+
306	NNH	Dinitrogen monohydride	nnh
307	HPO	Hydrogen phosphorus oxide	hpo
308	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
309	LiNH₂	lithium amide	linh2
310	HBNH	Boranimine	hbnh
311	CNH₂	Aminomethylidyne radical	cnh2
312	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
313	H₂CN	Dihydrogen cyanide radical	h2cn
314	H₂CN⁺	hydrocyanonium cation	h2cn+
315	HCNH	methyleneazane	hcnh
316	HCNH⁺	N-protonated HCN	hcnh+
317	H₂NN	Isodiazene	h2nn
318	CH₂NH	Methanimine	ch3n
319	CHNH₂	aminomethylene	chnh2
320	CHNH₂⁺	Aminocarbene cation	chnh2+
321	CH₂PH	Phosphaethene	ch3p
322	BH₂NH₂	Boranamine	bh2nh2
323	N₂H₄	Hydrazine	n2h4
324	P₂H₄	Diphosphine	p2h4
325	CH₃PH₂	Methyl phosphine	ch3ph2
326	SiH₃NH₂	Silane, amino	sih3nh2
327	N₂H₅⁺	protonated hydrazine	n2h5+
328	BH₃PH₃	borane phosphine	bh3ph3
329	CH₃NH₃	methyl ammonium radical	ch3nh3
330	CH₃NH₃⁺	protonated methylamine	ch3nh3+
331	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
332	NH₃NH₃	Ammonia Dimer	nh3nh3
333	LiO^-	lithium oxide anion	lio-
334	LiO⁺	lithium oxide cation	lio+
335	NaO^-	sodium oxide anion	nao-
336	NaO⁺	sodium oxide cation	nao+
337	KO	Potassium monoxide	ko
338	KO⁺	Potassium monoxide cation	ko+
339	CuO	Copper Monoxide	cuo
340	LiSe	Lithium monoselenide	lise
341	BeO	beryllium oxide	beo
342	BeO^-	Beryllium monoxide anion	beo-
343	BeO⁺	Beryllium monoxide cation	beo+
344	BeS	beryllium sulfide	bes
345	MgO	magnesium oxide	mgo
346	MgO^-	magnesium oxide anion	mgo-
347	MgO⁺	magnesium oxide cation	mgo+
348	CaO	Calcium monoxide	cao
349	MgS	magnesium sulfide	mgs
350	MgS^-	magnesium sulfide anion	mgs-
351	MgS⁺	magnesium sulfide cation	mgs+
352	ZnO	zinc monoxide	zno
353	ZnS	Zinc sulfide	zns
354	BeS^-	Beryllium monosulfide anion	bes-
355	BeS⁺	Beryllium monosulfide cation	bes+
356	BO^-	boron monoxide anion	bo-
357	AlO	Aluminum monoxide	alo
358	AlO^-	Aluminum monoxide anion	alo-
359	AlO⁺	aluminum monoxide cation	alo+
360	BS	boron sulfide	bs
361	BS^-	boron monosulfide anion	bs-
362	BS⁺	boron monosulfide cation	bs+
363	AlS	Aluminum sulfide	als
364	AlS^-	aluminum monosulfide anion	als-
365	AlS⁺	aluminum monosulfide cation	als+
366	GaO	Gallium monoxide	gao
367	GaS	Gallium monosulfide	gas
368	BO⁺	boron monoxide cation	bo+
369	CS	carbon monosulfide	cs
370	CS^-	carbon monosulfide anion	cs-
371	CS⁺	carbon monosulfide cation	cs+
372	SiO	Silicon monoxide	sio
373	SiO^-	silicon monoxide anion	sio-
374	SiO⁺	silicon monoxide cation	sio+
375	SiS	silicon monosulfide	sis
376	SiS^-	silicon monosulfide anion	sis-
377	SiS⁺	silicon monosulfide cation	sis+
378	CSe	Carbon monoselenide	cse
379	CSe^-	Carbon monoselenide anion	cse-
380	CSe⁺	Carbon monoselenide cation	cse+
381	GeO	Germanium monoxide	geo
382	GeS	Germanium monosulfide	ges
383	GeSe	Germanium monoselenide	gese
384	NS^-	nitrogen sulfide anion	ns-
385	NS⁺	nitrogen sulfide cation	ns+
386	PO^-	phosphorus monoxide anion	po-
387	PO⁺	phosphorus monoxide cation	po+
388	PS^-	phosphorus monosulfide anion	ps-
389	PS⁺	phosphorus monosulfide cation	ps+
390	AsO	Arsenic monoxide	aso
391	AsSe	Arsenic monoselenide	asse
392	O₂	Oxygen diatomic	o2
393	O₂^--	dioxygen dianion	o2--
394	O₂⁺	diatomic oxygen cation	o2+
395	SO	Sulfur monoxide	so
396	SO^-	sulfur monoxide anion	so-
397	S₂^-	sulfur diatomic anion	s2-
398	S₂⁺	sulfur diatomic cation	s2+
399	SeO	Selenium monoxide	seo
400	SeO^-	selenium monoxide anion	seo-
401	SeO⁺	selenium monoxide cation	seo+
402	SeS	Selenium monosulfide	ses
403	SeS^-	selenium monosulfide anion	ses-
404	SeS⁺	selenium monosulfide cation	ses+
405	TeO	Tellurium monoxide	teo
406	Se₂	Selenium diatomic	se2
407	Se₂^-	selenium diatomic anion	se2-
408	Se₂⁺	selenium diatomic cation	se2+
409	Te₂	Tellurium diatomic	te2
410	NaOH	sodium hydroxide	naoh
411	KOH	Potassium hydroxide	koh
412	BeOH	beryllium monohydroxide	beoh
413	MgOH	magnesium hydroxide	mgoh
414	CaOH	Calcium monohydroxide	caoh
415	HBS	hydrogen boron sulfide	hbs
416	HCO	Formyl radical	hco
417	HCO⁺	Formyl cation	hco+
418	HCS	Thioformyl radical	hcs
419	HCS^-	Thioformyl anion	hcs-
420	HCS⁺	Thioformyl cation	hcs+
421	HNO	Nitrosyl hydride	hno
422	HNO^-	Nitrosyl hydride anion	hno-
423	HNS	Sulfur imide	hns
424	HNS^-	Sulfur imide anion	hns-
425	HO₂^-	Hydroperoxy anion	ho2-
426	SOH	Sulfur Hydroxide	soh
427	SOH⁺	Sulfur Monoxide, protonated	soh+
428	HS₂	Thiosulfeno radical	hs2
429	H₂CO	Formaldehyde	h2co
430	HOCH	hydroxycarbene	hoch
431	H₂CS^-	thioformaldehyde anion	h2cs-
432	H₂CS⁺	thioformaldehyde cation	h2cs+
433	H₂CSe	Selenoformaldehyde	h2cse
434	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
435	H₂OO	water oxide	h2oo
436	HOSH	hydrogen thioperoxide	hosh
437	H₂Se₂	hydrogen diselenide	h2se2
438	CH₂OH⁺	hydroxymethyl cation	ch2oh+
439	CH₃O	Methoxy radical	ch3o
440	CH₃O^-	methoxy anion	ch3o-
441	CH₃S	thiomethoxy	ch3s
442	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
443	NH₃O	Ammonia Oxide	nh3o
444	H₂POH	Phosphinous acid	h2poh
445	H₃PO	Phosphine oxide	h3po
446	NH₂SH	Thiohydroxylamine	nh2sh
447	NH₃S	sulfidoazane	nh3s
448	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
449	CH₃OH	Methyl alcohol	ch3oh
450	CH₃OH⁺	Methyl alcohol cation	ch3oh+
451	SiH₃OH	silanol	sih3oh
452	CH₃SeH	Methane selenol	ch3seh
453	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
454	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
455	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
456	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
457	H₂ONH₃	Water Ammonia Dimer	h2onh3
458	H₅O₂⁺	Dihydroxonium ion	h5o2+
459	LiF	lithium fluoride	lif
460	LiCl^-	lithium chloride anion	licl-
461	LiCl⁺	lithium chloride cation	licl+
462	NaF^-	sodium fluoride anion	naf-
463	NaF⁺	sodium fluoride cation	naf+
464	KF	Potassium Fluoride	kf
465	NaCl^-	sodium chloride anion	nacl-
466	NaCl⁺	sodium chloride cation	nacl+
467	KCl	Potassium Chloride	kcl
468	CuF	Copper monofluoride	cuf
469	LiBr	Lithium Bromide	libr
470	LiBr^-	lithium bromide anion	libr-
471	LiBr⁺	lithium bromide cation	libr+
472	CuCl	Copper monochloride	cucl
473	NaBr	Sodium Bromide	nabr
474	NaBr^-	sodium bromide anion	nabr-
475	NaBr⁺	sodium bromide cation	nabr+
476	KBr	Potassium Bromide	kbr
477	LiI	Lithium Iodide	lii
478	NaI	Sodium Iodide	nai
479	KI	Potassium Iodide	ki
480	LiF^-	lithium fluoride anion	lif-
481	LiF⁺	lithium fluoride cation	lif+
482	BeF	Beryllium monofluoride	bef
483	BeF^-	Beryllium monofluoride anion	bef-
484	BeF⁺	Beryllium monofluoride cation	bef+
485	BeCl	beryllium monochloride	becl
486	MgF	Magnesium monofluoride	mgf
487	MgF^-	magnesium fluoride anion	mgf-
488	CaF	Calcium monofluoride	caf
489	MgCl	magnesium monochloride	mgcl
490	MgCl^-	magnesium monochloride anion	mgcl-
491	MgCl⁺	magnesium monochloride cation	mgcl+
492	CaCl	calcium monochloride	cacl
493	TiCl	Titanium Monochloride	ticl
494	ZnF^-	Zinc monofluoride anion	znf-
495	ZnF⁺	Zinc monofluoride cation	znf+
496	ZnCl	Zinc monochloride	zncl
497	CaBr	Calcium monobromide	cabr
498	BeCl^-	beryllium monochloride anion	becl-
499	BeCl⁺	beryllium monochloride cation	becl+
500	BF	Boron monofluoride	bf
501	BF^-	Boron monofluoride anion	bf-
502	BF⁺	Boron monofluoride cation	bf+
503	AlF	Aluminum monofluoride	alf
504	AlF^-	Aluminum monofluoride anion	alf-
505	AlF⁺	Aluminum monofluoride cation	alf+
506	BCl	boron monochloride	bcl
507	BCl^-	boron monochloride anion	bcl-
508	BCl⁺	boron monochloride cation	bcl+
509	AlCl	Aluminum monochloride	alcl
510	AlCl^-	aluminum monochloride anion	alcl-
511	AlCl⁺	aluminum monochloride cation	alcl+
512	ScF	Scandium monofluoride	scf
513	BBr	Boron monobromide	bbr
514	GaF	Gallium monofluoride	gaf
515	AlBr	Aluminum monobromide	albr
516	GaCl	Gallium monochloride	gacl
517	AlI	Aluminum monoiodide	ali
518	GaBr	Gallium monobromide	gabr
519	CF^-	carbon monofluoride anion	cf-
520	CF⁺	carbon monofluoride cation	cf+
521	CCl	carbon monochloride	ccl
522	CCl^-	carbon monochloride anion	ccl-
523	CCl⁺	carbon monochloride cation	ccl+
524	SiF^-	silicon monofluoride anion	sif-
525	SiCl	Clorosilylidyne	sicl
526	SiCl^-	silicon monochloride anion	sicl-
527	SiCl⁺	silicon monochloride cation	sicl+
528	CBr	Carbon monobromide	cbr
529	GeF	Germanium monofluoride	gef
530	GeF⁺	Germanium monofluoride cation	gef+
531	GeCl	Germanium monochloride	gecl
532	GeCl⁺	Germanium monochloride cation	gecl+
533	SiBr	Silicon monobromide	sibr
534	SiBr⁺	Silicon monobromide cation	sibr+
535	NF	nitrogen fluoride	nf
536	NF^-	nitrogen monofluorine anion	nf-
537	NF⁺	nitrogen monofluoirde cation	nf+
538	NCl^-	nitrogen monochloride anion	ncl-
539	NCl⁺	nitrogen monochloride cation	ncl+
540	PF	phosphorus monofluoride	pf
541	PF^-	phosphorus monofluoride anion	pf-
542	PF⁺	phosphorus monofluoride cation	pf+
543	PCl	phosphorus chloride	pcl
544	PCl^-	phosphorus monochloride anion	pcl-
545	PCl⁺	phosphorus monochloride cation	pcl+
546	NBr	nitrogen monobromide	nbr
547	PBr	Phosphorus monobromide	pbr
548	SbF	Antimony monofluoride	sbf
549	SbCl	Antimony monochloride	sbcl
550	FO^-	flourine oxide anion	fo-
551	FO⁺	fluorine monoxide cation	fo+
552	ClO	Monochlorine monoxide	clo
553	ClO^-	chlorine monoxide anion	clo-
554	ClO⁺	chlorine monoxide cation	clo+
555	SF^-	sulfur monofluoride anion	sf-
556	SF⁺	sulfur monofluoride cation	sf+
557	SCl	sulfur monochloride	scl
558	SCl^-	sulfur monochloride anion	scl-
559	SCl⁺	sulfur monochloride cation	scl+
560	BrO	Bromine monoxide	bro
561	BrO^-	Bromine monoxide anion	bro-
562	BrO⁺	Bromine monoxide cation	bro+
563	SBr	Sulfur monobromide radical	sbr
564	SBr⁺	Sulfur monobromide cation	sbr+
565	IO	Iodine monoxide	io
566	SeBr	Selenium monobromide	sebr
567	BrCl	Bromine monochloride	brcl
568	ClF^-	clorine monofluoride anion	clf-
569	ClF⁺	clorine monofluoride cation	clf+
570	Cl₂^-	chlorine diatomic anion	cl2-
571	BrF	Bromine monofluoride	brf
572	BrF^-	bromine fluoride anion	brf-
573	BrF⁺	bromine fluoride cation	brf+
574	BrCl^-	bromine chloride anion	brcl-
575	BrCl⁺	bromine chloride cation	brcl+
576	IF	Iodine monofluoride	if
577	Br₂	Bromine diatomic	br2
578	Br₂^-	bromine diatomic anion	br2-
579	Br₂⁺	bromine diatomic cation	br2+
580	ICl	Iodine monochloride	icl
581	IBr	Iodine monobromide	ibr
582	I₂	Iodine diatomic	i2
583	I₂⁺	Iodine diatomic cation	i2+
584	HCCl	Chloromethylene	hccl
585	HSiF	fluorosilylene	hsif
586	HSiCl	Chlorosilylene	hsicl
587	HSiBr	monobromosilylene	hsibr
588	CHBr	bromomethylene	chbr
589	HOF	Hypofluorous acid	hfo
590	DOCl	Hypochlorous acid-d	docl
591	HOCl	hypochlorous acid	hocl
592	HOCl⁺	hypochlorous acid cation	hocl+
593	HOBr	Hypobromous acid	hobr
594	HOBr⁺	Hypobromous acid cation	hobr+
595	HOI	Hypoiodous acid	hoi
596	F₂H⁺	Fluorine, protonated	f2h+
597	FHF	Hydrogen difluoride	fhf
598	FHF^-	Hydrogen difluoride anion	fhf-
599	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
600	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
601	Cl₂H⁺	Chlorine, protonated	cl2h+
602	CH₂Br	bromomethyl radical	ch2br
603	CH₂F⁺	fluoromethyl cation	ch2f+
604	CH₂Cl⁺	chloromethyl cation	ch2cl+
605	CH₂Cl	chloromethyl radical	ch2cl
606	NH₂F	monofluoroamine	nh2f
607	NH₂Cl	chloramine	nh2cl
608	H₂F₂	Hydrogen fluoride dimer	h2f2
609	CH₃F⁺	methyl fluoride cation	ch3f+
610	CD₃F	methylfluoride-d3	cd3f
611	CH₃F	Methyl fluoride	ch3f
612	CD₃Cl	methyl chloride d3	cd3cl
613	CH₃Cl⁺	Methyl chloride cation	ch3cl+
614	SiH₃F	monofluorosilane	sih3f
615	SiH₃Cl	chlorosilane	sih3cl
616	CH₃Br	methyl bromide	ch3br
617	GeH₃F	monofluorogermane	geh3f
618	GeH₃Cl	monochlorogermane	geh3cl
619	SiH₃Br	bromosilane	sih3br
620	CH₃I	methyl iodide	ch3i
621	SiH₃I	Silyl Iodide	sih3i
622	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
623	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
624	NH₄Cl	Ammonium chloride	nh4cl
625	Ne₂	Neon diatomic	ne2
626	C₃⁺	carbon trimer cation	c3+
627	SiC₂	Silicon dicarbide	sic2
628	C₃H₃	Propargyl radical	propargyl
629	C₃H₃^-	Propargyl anion	c3h3-
630	C₃H₃⁺	cyclopropenyl cation	cpr+
631	C₃H₃⁺	Propargyl cation	c3h3+
632	C₃H₄	cyclopropene	cprop
633	CH₂CCH₂	allene	allene
634	CH₃CCH	propyne	propyne
635	C₃H₅⁺	Allyl cation	allyl+
636	CH₃CHCH	1-propenyl radical	ch3chch
637	Zn(CH₃)₂	dimethyl zinc	dmz
638	C₃H₆	Cyclopropane	c3h6
639	CH₂CHCH₃	Propene	propene
640	C₃H₇	n-Propyl radical	npropyl
641	C₃H₇⁺	cyclopropane, protonated	c3h7+
642	CH₃CHCH₃	Isopropyl radical	isopropyl
643	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
644	C₃H₈	Propane	propane
645	SiH₂(CH₃)₂	dimethylsilane	dms
646	Si₃H₈	trisilane	si3h8
647	KCN	Potassium cyanide	kcn
648	CuCN	Copper cyanide	cucn
649	ZnCN	Zinc monocyanide	zncn
650	ZnNC	Zinc isocyanide	znnc
651	AlCN	Aluminum monocyanide	alcn
652	AlNC	Aluminum isocyanide	alnc
653	CN₂	3H-Diazirin-3-ylidene	cn2
654	CNN	Diazocarbene	cnn
655	NCN	Cyanoimidogen	ncn
656	N₃^-	azide anion	n3-
657	HCNN	diazomethyl radical	hcnn
658	HN₃	hydrogen azide	hn3
659	HN₃⁺	Hydrazoic acid cation	hn3+
660	HNCNH	diiminomethane	hncnh
661	CH₂N₂	diazirine	ch2n2
662	CH₂NN	diazomethane	ch2nn
663	HNNNH⁺	1,2-Triazadienium	n2h3+
664	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
665	CH₃CN	Acetonitrile	ch3cn
666	CH₃CN^-	acetonitrile anion	ch3cn-
667	CH₃CN⁺	Acetonitrile cation	ch3cn+
668	CH₃NC	methyl isocyanide	ch3nc
669	CHNCH₂	2H-Azirine	c157164
670	CHNHCH	1H-Azirine	chnhch
671	H₂CCNH	Ethenimine	ch2cnh
672	H₂CNCH	methyleneaminomethylene	ch2nch
673	HCCNH₂	Ethynamine	hccnh2
674	HCNCH₂⁺	2H-Azirine cation	hcnch2+
675	NCNH₃⁺	Cyanamide, protonated	ncnh3+
676	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
677	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
678	CH₃CHN	methylmethaniminyl radical	ch3chn
679	NHCHNH₂	aminomethanimine	cn2h4
680	C₂H₅N	Aziridine	c2h5n
681	CH₂CHNH₂	aminoethene	aminoethene
682	CH₂NCH₃	N-methylmethanimine	nmm
683	CH₃CHNH	ethanimine	ethanimine
684	NH₂BHNH₂	diaminoborane	nh2bhnh2
685	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
686	C₂H₆N⁺	aziridine, protonated	c2h6n+
687	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
688	CH₃CH₂NH₂	Ethylamine	etam
689	CH₃NHCH₃	Dimethylamine	ch3nhch3
690	CH₃PHCH₃	dimethylphosphine	ch3phch3
691	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
692	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
693	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
694	Li₂O⁺	dilithium oxide cation	li2o+
695	Na₂O	disodium monoxide	na2o
696	Na₂S	Sodium sulfide	na2s
697	LiO₂	Lithium dioxide	lio2
698	NaO₂	Sodium superoxide	nao2
699	CNO^-	fulminate	cno-
700	NCO^-	cyanate	nco-
701	SCN	thiocyanato radical	scn
702	SCN^-	thiocyanide anion	scn-
703	BO₂	Boron dioxide	bo2
704	BO₂^-	Boron dioxide anion	bo2-
705	BO₂⁺	Boron dioxide cation	bo2+
706	N₂O⁺	Nitrous oxide cation	n2o+
707	NNS	Nitrogen sulfide	nns
708	PPO	Phosphorus oxide phosphide	ppo
709	CO₂	Carbon dioxide	co2
710	CO₂^-	Carbon dioxide anion	co2-
711	CO₂⁺	Carbon dioxide cation	co2+
712	OCS⁺	Carbonyl sulfide cation	cos+
713	SiO₂	silicon dioxide	sio2
714	CS₂	Carbon disulfide	cs2
715	CS₂^-	Carbon disulfide anion	cs2-
716	CS₂⁺	Carbon disulfide cation	cs2+
717	TiO₂	Titanium dioxide	tio2
718	GeO₂	Germanium dioxide	geo2
719	OCSe	Carbonyl selenide	ocse
720	SCSe	Carbon sulfide selenide	scse
721	GeS₂	Germanium disulfide	ges2
722	CSe₂	Carbon diselenide	cse2
723	SCTe	Carbon sulfide Telluride	scte
724	NO₂^-	Nitrogen dioxide anion	no2-
725	NO₂⁺	Nitrogen dioxide cation	no2+
726	NSO	sulfinyl amidogen	NSO
727	PO₂	Phosphorus dioxide	po2
728	PO₂^-	Phosphorus dioxide anion	po2-
729	PO₂⁺	Phosphorus dioxide cation	po2+
730	SNO	Nitrogen oxide sulfide	sno
731	AsO₂	Aresenic dioxide	aso2
732	O₃^-	Ozone anion	o3-
733	O₃⁺	Ozone cation	o3+
734	SO₂	Sulfur dioxide	so2
735	SO₂^-	Sulfur dioxide anion	so2-
736	SO₂⁺	Sulfur dioxide cation	so2+
737	SSO	Disulfur monoxide	sso
738	S₃^-	Sulfur trimer anion	s3-
739	SeO₂	Selenium dioxide	seo2
740	SeO₂⁺	Selenium dioxide cation	seo2+
741	TeO₂	Tellurium Dioxide	teo2
742	HCCO	ketenyl radical	ketenyl
743	CS₂H⁺	Carbon disulfide, protonated	cs2h+
744	HNCO	Isocyanic acid	hnco
745	HOCN	cyanic acid	hocn
746	HNCS	Isothiocyanic acid	hncs
747	HSCN	thiocyanic acid	hscn
748	HCO₂^-	formate anion	hco2-
749	HNNO	nitrosoazane	hnno
750	HCOO	formate neutral radical	hcoo
751	HOCO	Hydrocarboxyl radical	hoco
752	HOCO⁺	Hydrocarboxyl cation	hoco+
753	HNO₂	Nitrous acid	hno2
754	HNO₂⁺	nitrous acid cation	hno2+
755	SO₂H⁺	protonated sulfur dioxide	so2h+
756	C₂H₂O	Oxirene	oxirene
757	CH₂CO	Ketene	ch2co
758	CH₂CO⁺	Ketene cation	ch2co+
759	HCCOH	ethynol	hccoh
760	CH₂CS	Thioketene	ch2cs
761	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
762	NH₂NO	Nitrosamide	nh2no
763	CH₂O₂	Dioxirane	diox
764	H₂COO⁺	dioxymethyl cation	h2coo+
765	H₂O₃	Hydrogen trioxide	h2o3
766	HSSSH	trisulfane	hsssh
767	NaOCH₃	Sodium methoxide	naoch3
768	CH₂CHO	Vinyloxy radical	ch2cho
769	CH₂COH⁺	ketene, protonated	ch2coh+
770	CH₃CO	Acetyl radical	ch3co
771	CH₃CO^-	Acetyl anion	ch3co-
772	CH₃CO⁺	acetyl cation	ch3co+
773	CH₂NOH	formaldoxime	ch2noh
774	CHONH₂	formamide	formamide
775	CNOH₃	1,2-oxaziridine	cnoh3
776	HOCHNH	hydroxymethylimine	hochnh
777	CHSNH₂	thioformamide	chsnh2
778	NHCHSH	Methanimidothioic acid	nhchsh
779	CH₂OOH	CH2OOH radical	ch2ooh
780	CH₃OO	methylperoxy radical	ch3oo
781	CH₃OO^-	methylperoxy anion	ch3oo-
782	CH₃OO⁺	methylperoxy cation	ch3oo+
783	C₂H₄O	Ethylene oxide	c2h4o
784	C₂H₄O⁺	ethylene oxide cation	c2h4o+
785	CH₂CHOH	ethenol	ch2choh
786	CH₃CHO	Acetaldehyde	ch3cho
787	CH₃CHO⁺	acetaldehyde cation	ch3cho+
788	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-	h2coch2+
789	C₂H₄S	Thiirane	thiirane
790	CH₂CHSH	Ethenethiol	ch2chsh
791	CH₃CHS	Thioacetaldehyde	ch3chs
792	H₂CONH₂⁺	protonated formamide	h2conh2+
793	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
794	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
795	CH₂(OH)₂	methanediol	ch2o2h2
796	CH₃OOH	Methyl peroxide	ch3ooh
797	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
798	HSCH₂SH	Methanedithiol	ch4s2
799	H₂OH₂CO	water formaldehyde dimer	h2oh2co
800	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
801	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
802	CH₃CH₂O	Ethoxy radical	ethoxy
803	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
804	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
805	CH₃OCH₂	methoxymethyl radical	ch3och2
806	NH₂CH₂OH	aminomethanol	nh2ch2oh
807	CH₃CH₂OH	Ethanol	etoh
808	CH₃OCH₃	Dimethyl ether	meome
809	CH₃CH₂SH	ethanethiol	etsh
810	CH₃SCH₃	Dimethyl sulfide	mesme
811	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
812	CH₃SeCH₃	dimethylselenide	dmse
813	CH₃OHH₂O	methanol water dimer	ch3ohh2o
814	H₂OCH₃OH	water methanol dimer	h2och3oh
815	ZnF₂	Zinc difluoride	znf2
816	FCN	Cyanogen fluoride	fcn
817	ClCN	chlorocyanogen	clcn
818	BrCN	Cyanogen bromide	brcn
819	ICN	Cyanogen iodide	icn
820	FBO	Boron monofluoride monoxide	fbo
821	BeF₂	Beryllium fluoride	bef2
822	MgF₂	Magnesium fluoride	mgf2
823	BeCl₂	Beryllium chloride	becl2
824	MgCl₂	Magnesium dichloride	mgcl2
825	CaCl₂	Calcium Chloride	cacl2
826	ZnCl₂	Zinc dichloride	zncl2
827	BeBr₂	Beryllium bromide	bebr2
828	CaBr₂	Calcium dibromide	cabr2
829	CaF₂	Calcium difluoride	caf2
830	BF₂	Boron difluoride radical	bf2
831	FNO	Nitrosyl fluoride	fno
832	ClNO	Nitrosyl chloride	clno
833	FNS	Thionitrosyl fluoride	fns
834	OPCl	Phosphorus oxychloride	opcl
835	BrNO	Nitrosyl bromide	brno
836	INO	Nitrosyl iodide	ino
837	CF₂^-	Difluoromethylene anion	cf2-
838	CF₂⁺	Difluoromethylene cation	cf2+
839	SiF₂	Silicon difluoride	sif2
840	SiF₂⁺	Silicon difluoride cation	sif2+
841	CCl₂	dichloromethylene	ccl2
842	CCl₂^-	dichloromethylene anion	ccl2-
843	CCl₂⁺	dichloromethylene cation	ccl2+
844	SiCl₂	Dichlorosilylene	sicl2
845	GeF₂	Germanium difluoride	gef2
846	GeCl₂	Germanium dichloride	gecl2
847	CBr₂	dibromomethylene	cbr2
848	FOO	Dioxygen monofluoride radical	foo
849	FOO⁺	Fluorine dioxide cation	foo+
850	ClOO	chloroperoxy radical	cloo
851	ClOO⁺	chloroperoxy cation	cloo+
852	OClO	Chlorine dioxide	oclo
853	OClO⁺	Chlorine dioxide cation	oclo+
854	ClSO	Sulfur chloride oxide	clso
855	ClS₂	Sulfur chloride	cls2
856	BrOO	Bromine dioxide	broo
857	OBrO	Bromine dioxide radical	obro
858	NF₂	Difluoroamino radical	nf2
859	NF₂⁺	Difluoroamino cation	nf2+
860	PF₂	Phosphorus difluoride	pf2
861	PF₂⁺	Phosphorus difluoride cation	pf2+
862	FClO	chlorosyl fluoride	fclo
863	F₂O	Difluorine monoxide	f2o
864	ClOF	Chlorine hypofluorite	clof
865	SF₂	sulfur difluoride	sf2
866	SF₂^-	sulfur difluoride anion	sf2-
867	SF₂⁺	sulfur difluoride cation	sf2+
868	Cl₂O	Dichlorine monoxide	cl2o
869	SCl₂	Sulfur dichloride	scl2
870	SeF₂	Selenium difluoride	sef2
871	BrOCl	Bromine hypochlorite	brocl
872	SeCl₂	Selenium Dichloride	secl2
873	SBr₂	Sulfur dibromide	sbr2
874	SeBr₂	Selenium dibromide	sebr2
875	BrOBr	Bromine oxide	brobr
876	F₃^-	trifluoride anion	f3-
877	Cl₃^-	trichloride anion	cl3-
878	Br₃^-	tribromide anion	br3-
879	I₃^-	triiodide	i3-
880	SFCl	Sulfur chloride fluoride	sfcl
881	HCCF	Fluoroacetylene	hccf
882	HCCF⁺	fluoroacetylene cation	hccf+
883	HCCCl	Chloroacetylene	hcccl
884	HCCBr	bromoacetylene	hccbr
885	HFCO	formyl fluoride	hfco
886	COHCl	Formyl chloride	cohcl
887	COHBr	Formyl bromide	cohbr
888	BHF₂	Difluoroborane	bhf2
889	BHCl₂	Borane, dichloro-	bhcl2
890	CHCl₂	dichloromethyl radical	chcl2
891	CHF₂	difluoromethyl radical	chf2
892	CHF₂⁺	difluoromethyl cation	chf2+
893	CHFCl	Chlorofluoromethyl radical	chfcl
894	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
895	CHCl₂⁺	dichloromethyl cation	chcl2+
896	CHBr₂	dibromomethyl radical	chbr2
897	HOClO	Chlorous acid	hoclo
898	NHF₂	difluoramine	nhf2
899	NHCl₂	dichloroamine	nhcl2
900	CH₂F₂	Methane, difluoro-	ch2f2
901	CH₂FCl	fluorochloromethane	ch2fcl
902	SiH₂F₂	difluorosilane	sih2f2
903	CH₂Cl₂	Methylene chloride	ch2cl2
904	CH₂BrF	Methane, bromofluoro-	ch2fbr
905	CH₂BrCl	Methane, bromochloro-	ch2clbr
906	CH₂FI	fluoroiodomethane	ch2fi
907	CH₂Br₂	dibromomethane	ch2br2
908	CH₂ClI	chloroiodomethane	ch2cli
909	CH₂BrI	bromoiodomethane	ch2bri
910	CH₂I₂	Diiodomethane	ch2i2
911	SiH₂Cl₂	dichlorosilane	sih2cl2
912	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
913	CH₂CHF	Ethene, fluoro-	ch2chf
914	CH₂CHF⁺	fluoroethene cation	ch2chf+
915	C₂H₃Cl	Ethene, chloro-	ch2chcl
916	C₂H₃Br	vinyl bromide	c2h3br
917	C₂H₃I	Vinyl iodide	c2h3i
918	CH₂FOH	fluoromethanol	ch2foh
919	CH₃OCl	methyl hypochlorite	ch3ocl
920	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
921	CHClCH₃	1-chloroethyl radical	chclch3
922	C₂H₅F	fluoroethane	c2h5f
923	CH₃CH₂Cl	Ethyl chloride	c2h5cl
924	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
925	C₂H₅Br	Ethyl bromide	etbr
926	C₂H₅I	Ethyl iodide	c2h5i
927	KrF₂	Krypton difluoride	krf2
928	XeF₂	Xenon difluoride	xef2
929	B₄H₁₀	Tetraborane(10)	b4h10
930	C₄	Carbon tetramer	c4
931	C₄⁺	Carbon tetramer cation	c4+
932	C₄H₂⁺	diacetlyene cation	c4h2+
933	C₂H₃CCH	1-Buten-3-yne	c2h3cch
934	C₄H₄	cyclobutadiene	cbd
935	C₄H₄	Tetrahedrane	c4h4
936	H₂CCCCH₂	Butatriene	h2cccch2
937	C₄H₆	1-Methylcyclopropene	c3100047
938	C₄H₆	Cyclobutene	c822355
939	C₄H₆	Methylenecyclopropane	c6142730
940	CH₂CCHCH₃	1,2-Butadiene	butad12
941	CH₂CHCHCH₂	1,3-Butadiene	c106990
942	CH₃CCCH₃	2-Butyne	c503173
943	CHCCH₂CH₃	1-Butyne	c107006
944	CH₃CHCHCH₂	methylallyl radical	c4h7
945	C₄H₈	methylcyclopropane	mcp
946	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
947	CH₂CHCH₂CH₃	1-Butene	bute1
948	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
949	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
950	B(CH₃)₃	trimethylborane	bme3
951	Al(CH₃)₃	trimethyl aluminum	tma
952	C(CH₃)₃	Tert-butyl radical	tbutyl
953	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
954	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
955	CH₃CH(CH₃)CH₃	Isobutane	isobutane
956	CH₃CH₂CH₂CH₃	Butane	butane
957	SiH(CH₃)₃	trimethylsilane	trimsi
958	C₂N₂	Cyanogen	c2n2
959	C₂N₂⁺	Cyanogen cation	c2n2+
960	P₄	Phosphorus tetramer	p4
961	As₄	Arsenic tetramer	as4
962	HCCCN	Cyanoacetylene	hcccn
963	HCCCN⁺	Cyanoacetylene cation	hcccn+
964	H₂CNCN	cyanamide, methylene	ch2ncn
965	HNCCNH	Ethenediimine	hnccnh
966	C₃H₃N	acrylonitrile	ch2chcn
967	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
968	CH₃N₃	methyl azide	ch3n3
969	NH₂CCNH₂	Diaminoacetylene	daa
970	NH₂CH₂CN	Aminoacetonitrile	aan
971	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
972	C₂H₅CN	ethyl cyanide	c2h5cn
973	CH₅N₃	Guanidine	guanidine
974	C₄H₆	Bicyclo[1.1.0]butane	c157335
975	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
976	H₂NCHCHNH₂	diaminoethylene	dae
977	CH₆N₃⁺	guanidinium	ch6n3+
978	C₃H₇N	Cyclopropylamine	cpram
979	CH₇N₃	triaminomethane	tam
980	C₃H₇N	Azetidine	azet
981	C₂H₈N₂	Ethylenediamine	ethdiam
982	CH₃NHNHCH₃	dimethyl hydrazine	dmh
983	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
984	N(CH₃)₃	Trimethylamine	trimeam
985	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
986	P(CH₃)₃	trimethylphosphine	tmp
987	N(SiH₃)₃	trisilylamine	tsa
988	As(CH₃)₃	trimethyl arsine	tmas
989	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
990	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
991	Li₂O₂	dilithium dioxide	li2o2
992	Na₂O₂	disodium dioxide	na2o2
993	K₂O₂	dipotassium dioxide	k2o2
994	B₂O₂	Diboron dioxide	b2o2
995	S₂N₂	Disulfur dinitride	s2n2
996	CO₃	Carbon trioxide	co3
997	CO₃^--	carbonate	co3--
998	CS₃^--	Carbonotrithioate	cs3--
999	NO₃	Nitrogen trioxide	no3
1000	NO₃^-	nitrate anion	no3-
1001	NO₃⁺	nitrogen trioxide cation	no3+
1002	SO₃	Sulfur trioxide	so3
1003	SO₃^-	Sulfur trioxide anion	so3-
1004	SO₃^--	Sulfate dianion	so3--
1005	SO₃⁺	Sulfur trioxide cation	so3+
1006	SeO₃	selenium trioxide	seo3
1007	S₄	Sulfur tetramer	s4
1008	TeO₃	Tellurium trioxide	teo3
1009	HCO₃^-	bicarbonate anion	hco3-
1010	HNO₃	Nitric acid	hno3
1011	HSO₃	Hydroxysulfonyl radical	hso3
1012	NH₂NO₂	nitramide	nh2no2
1013	C₂H₂CO	cyclopropenone	c2h2co
1014	C₃H₂O	Propadienal	c3h2o
1015	HCCCHO	2-propynal	hcccho
1016	C₂H₂O₂	Ethanedial	c2h2o2
1017	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
1018	H₂CO₃	Carbonic acid	h2co3
1019	H₂CS₃	thiocarbonic acid	h2cs3
1020	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
1021	H₂SO₃	Sulfurous acid	h2so3
1022	C₂H₃NO	Nitrosoethylene	c2h3no
1023	CH₃NCO	methylisocyante	ch3nco
1024	HOCH₂CN	cyanomethanol	hoch2cn
1025	CH₃COO^-	acetate anion	ch3coo-
1026	CH₃NO₂	Methane, nitro-	ch3no2
1027	CH₃ONO	Methyl nitrite	ch3ono
1028	H₃BO₃	Boric acid	h3bo3
1029	H₃AlO₃	Aluminum hydroxide	h3alo3
1030	H₃CO₃⁺	carbonic acid, protonated	h3co3+
1031	C₃H₄O	2-Propyn-1-ol	c107197
1032	C₃H₄O	allenol	c9000071
1033	C₃H₄O	Cyclopropanone	cpone
1034	C₃H₄O	Methylketene	c6004440
1035	CH₂CHCHO	Acrolein	c3h4o
1036	NH₂CONH₂⁺	Urea cation	urea+
1037	NH₂CSNH₂	Thiourea	thiourea
1038	C₂H₄O₂	1,3-dioxetane	c2h4o2
1039	CH₃COOH	Acetic acid	ch3cooh
1040	CH₃OCHO	methyl formate	ch3ocho
1041	CHOCH₂OH	hydroxy acetaldehyde	haa
1042	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
1043	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
1044	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
1045	HCOOHH₂O	Formic acid water dimer	hcoohh2o
1046	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
1047	CH₃COCH₂	Acetonyl radical	ch3coch2
1048	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
1049	CH₃C(OH)=NH	Ethaninidic acid	eia
1050	CH₃CHNOH	Acetaldoxime	acetaldoxime
1051	CH₃CONH₂	Acetamide	acetamide
1052	HCONHCH₃	N-methylformamide	nmfa
1053	CH₃CSNH₂	Ethanethioamide	ch3csnh2
1054	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
1055	H₂NCOHNH₂⁺	urea, protonated	ureah+
1056	C₂H₅OO	ethylperoxy radical	c2h5oo
1057	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
1058	C₃H₅OH	Cyclopropanol	cproh
1059	C₃H₆O	2-Propen-1-ol	c107186
1060	C₃H₆O	Acetone enol	enol
1061	C₃H₆O	Propylene oxide	prox
1062	CH₃CH₂CHO	Propanal	propanal
1063	CH₃COCH₃	Acetone	acetone
1064	CH₃COCH₃^-	acetone anion	ch3coch3-
1065	C₃H₆S	Thietane	thietane
1066	C₃H₆S	Thiirane, methyl-	methiirane
1067	CH₃CSCH₃	Thioacetone	ch3csch3
1068	C₂H₆O₂	1,2-Ethanediol	ethdiol
1069	CH₃OOCH₃	dimethylperoxide	dmp
1070	CH₃SOCH₃	Dimethyl sulfoxide	dmso
1071	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
1072	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
1073	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
1074	HOCH₂CH₂NH₂	monoethanolamine	mea
1075	C₃H₇OH	1-Propanol	proh
1076	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
1077	CH₃OC₂H₅	Ethane, methoxy-	etome
1078	C₃H₇SH	1-Propanethiol	prsh
1079	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1080	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1081	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1082	Li₂F₂	Lithium fluoride dimer	li2f2
1083	Na₂F₂	Sodium Fluoride Dimer	na2f2
1084	Na₂Cl₂	Disodium dichloride	na2cl2
1085	C₂F₂	difluoroacetylene	c2f2
1086	C₂Cl₂	dichloroacetylene	c2cl2
1087	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1088	FNO₂	Nitryl fluoride	fno2
1089	FONO	Nitrosyl hypofluorite	fono
1090	ClNO₂	Nitryl chloride	clno2
1091	ClONO	chlorine nitrite	clono
1092	BrONO	Bromine nitrite	brono
1093	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1094	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1095	CF₂O	Carbonic difluoride	f2co
1096	CF₂O⁺	Carbonic difluoride cation	f2co+
1097	COFCl	Carbonic chloride fluoride	cofcl
1098	CCl₂O	Phosgene	cl2co
1099	Cl₂CS	Thiophosgene	cl2cs
1100	COBr₂	Carbonic dibromide	cobr2
1101	BF₃	Borane, trifluoro-	bf3
1102	BF₃^-	Borane, trifluoro- anion	bf3-
1103	BF₃⁺	boron trifluoride cation	bf3+
1104	AlF₃	Aluminum trifluoride	alf3
1105	BClF₂	Chlorodifluoroborane	bclf2
1106	AlF₂Cl	Aluminum chloride difluoride	alclf2
1107	ScF₃	Scandium trifluoride	ScF3
1108	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1109	BCl₃	Borane, trichloro-	bcl3
1110	BCl₃⁺	Boron Trichloride cation	bcl3+
1111	GaF₃	Gallium trifluoride	gaf3
1112	AlCl₃	Aluminum trichloride	alcl3
1113	GaCl₃	Gallium trichloride	gacl3
1114	BBr₃	Boron tribromide	bbr3
1115	AlBr₃	Aluminum Bromide	albr3
1116	ClO₃	Chlorine trioxide	clo3
1117	ClO₃^-	chlorate anion	clo3-
1118	BrO₃^-	Bromate anion	bro3-
1119	CF₃	Trifluoromethyl radical	cf3
1120	CF₃^-	Trifluoromethyl anion	cf3-
1121	CF₃⁺	Trifluoromethyl cation	cf3+
1122	CF₂Cl	difluorochloromethyl radical	cf2cl
1123	SiF₃	Silicon trifluoride radical	sif3
1124	SiF₃⁺	Silicon trifluoride cation	sif3+
1125	CFCl₂	dichlorofluoromethyl radical	cfcl2
1126	CCl₃	Trichloromethyl radical	ccl3
1127	CCl₃^-	Trichloromethyl anion	ccl3-
1128	CCl₃⁺	Trichloromethyl cation	ccl3+
1129	SiCl₃	trichlorosilyl radical	sicl3
1130	SiCl₃⁺	trichlorosilyl cation	sicl3+
1131	CBr₃	tribromomethyl radical	cbr3
1132	FOOF	Perfluoroperoxide	foof
1133	ClO₂F	Chloryl fluoride	clo2f
1134	F₂SO	Thionyl Fluoride	f2so
1135	ClOOCl	Dichlorine dioxide	cloocl
1136	FSSF	Difluorodisulfane	fssf
1137	S₂F₂	Thio-thionyl fluoride	s2f2
1138	SOCl₂	thionyl chloride	socl2
1139	SSCl₂	Thiothionyl chloride	sscl2
1140	SeOCl₂	selenium oxychloride	seocl2
1141	NF₃	Nitrogen trifluoride	nf3
1142	NF₃^-	Nitrogen trifluoride anion	nf3-
1143	NF₃⁺	Nitrogen trifluoride cation	nf3+
1144	PF₃	Phosphorus trifluoride	pf3
1145	NCl₃	nitrogen trichloride	ncl3
1146	AsF₃	Arsenic trifluoride	asf3
1147	PCl₃	Phosphorus trichloride	pcl3
1148	SbF₃	Antimony Trifluoride	sbf3
1149	AsCl₃	Arsenous trichloride	ascl3
1150	SbCl₃	Antimony Trichloride	sbcl3
1151	PBr₃	Phosphorus tribromide	pbr3
1152	AsBr₃	Arsenic tribromide	asbr3
1153	NI₃	Nitrogen triiodide	ni3
1154	PI₃	Phosphorus triiodide	pi3
1155	ClSSCl	Disulfur dichloride	s2cl2
1156	SF₃	Sulfur trifluoride	sf3
1157	ClF₃	Chlorine trifluoride	clf3
1158	BrF₃	Bromine trifluoride	brf3
1159	IF₃	iodone trifluoride	if3
1160	HClO₃	Chloric Acid	hclo3
1161	CHF₃	Methane, trifluoro-	chf3
1162	CHF₂Cl	difluorochloromethane	chf2cl
1163	SiHF₃	trifluorosilane	sihf3
1164	CHFCl₂	fluorodichloromethane	chfcl2
1165	CDCl₃	trichloromethane-d	cdcl3
1166	CHCl₃	Chloroform	chcl3
1167	CHBrF₂	Methane, bromodifluoro-	chbrf2
1168	SiHCl₃	Trichlorosilane	sihcl3
1169	CHFClBr	fluorochlorobromomethane	chfclbr
1170	CHBrCl₂	Methane, bromodichloro-	chbrcl2
1171	CHF₂I	difluoroiodomethane	chf2i
1172	CHBr₂F	dibromofluoromethane	chbr2f
1173	CHFClI	fluorochloroiodomethane	chfcli
1174	CHCl₂I	dichloroiodomethane	chcl2i
1175	CHClBr₂	Methane, dibromochloro-	chclbr2
1176	CHBr₃	bromoform	chbr3
1177	CHI₃	Iodoform	chi3
1178	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1179	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1180	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1181	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1182	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1183	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1184	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1185	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1186	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1187	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1188	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1189	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1190	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1191	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1192	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1193	CH₃COF	Acetyl fluoride	ch3cof
1194	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1195	CH₃COCl	Acetyl Chloride	ch3cocl
1196	C₂H₄F₂	1,2-difluoroethane	c2h4f2
1197	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1198	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1199	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1200	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1201	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1202	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1203	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1204	CH₂CFCH₃	2-fluoropropene	2fpro
1205	CH₂CHCH₂F	Allyl Fluoride	allylf
1206	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1207	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1208	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1209	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1210	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1211	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1212	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1213	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1214	CH₃CHFCH₃	2-Fluoropropane	prf2
1215	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1216	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1217	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1218	CH₃CHBrCH₃	i-propyl bromide	iprbr
1219	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1220	B₅H₉	pentaborane9	b5h9
1221	C₅H₄	pentatetraene	ptrene
1222	C₅H₅	cyclopentadienyl radical	c5h5
1223	C₅H₅^-	cylopentadienyl anion	c5h5-
1224	C₅H₆	1,3-Cyclopentadiene	c542927
1225	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1226	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1227	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1228	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1229	C₅H₆	Cyclopropylacetylene	c6746947
1230	C₅H₆	Propellane	propellane
1231	C₅H₇	1,3-pentadienyl radical	pdyl
1232	C₅H₇	cyclopentenyl radical	cpyl
1233	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1234	C₅H₈	1,2-Pentadiene	c591957
1235	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1236	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1237	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1238	C₅H₈	1,4-Pentadiene	c591935
1239	C₅H₈	1-pentyne	a1pentyne
1240	C₅H₈	2,3-Pentadiene	c591968
1241	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1242	C₅H₈	Cyclobutane, methylene-	c1120565
1243	C₅H₈	Cyclopentene	c142290
1244	C₅H₈	Ethenylcyclopropane	c693867
1245	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1246	C₅H₁₀	1-Butene, 2-methyl-	c563462
1247	C₅H₁₀	2-Butene, 2-methyl-	c513359
1248	C₅H₁₀	2-Pentene, (E)-	c646048
1249	C₅H₁₀	2-Pentene, (Z)-	c627203
1250	C₅H₁₀	Cyclopentane	c287923
1251	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1252	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1253	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1254	C₅H₁₂	Butane, 2-methyl-	buta2
1255	C₅H₁₂	Pentane	pentane
1256	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1257	Si(CH₃)₄	tetramethylsilane	tms
1258	N₂O₃	Dinitrogen trioxide	n2o3
1259	C₃H₂N₂	Malononitrile	c3h2n2
1260	CH₂N₄	1H-Tetrazole	1htz
1261	C₃H₃N₂	imidazolyl radical	im
1262	C₃H₃N₂^-	imidizolyl anion	im-
1263	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1264	C₄H₄N	pyrrolide radical	c4h4n
1265	C₄H₄N^-	pyrrolide anion	c4h4n-
1266	C₃H₄N₂	1H-Imidazole	1himidaz
1267	C₃H₄N₂	1H-Pyrazole	1hpyraz
1268	C₃H₄N₂	2H-Imidazole	imid2h
1269	C₃H₄N₂	4H-Imidazole	imid4h
1270	C₄H₅N	(E)-2-Butenenitrile	c627269
1271	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1272	C₄H₅N	2H-pyrrole	pyrrole2
1273	C₄H₅N	3H-pyrrole	pyrrole3
1274	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1275	C₄H₅N	Pyrrole	pyrrole
1276	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1277	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1278	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1279	C₄H₆N⁺	pyrrole, protonated	ppyr
1280	C₃H₆N₂	3-Aminopropionitrile	c151188
1281	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1282	CH₃CH₂CH₂CN	Butanenitrile	c109740
1283	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1284	C₅H₈	Spiropentane	c157404
1285	C₄H₉N	Cyclobutylamine	cbam
1286	C₄H₉N	Pyrrolidine	pyrrolidine
1287	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1288	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1289	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1290	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1291	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1292	NH(C₂H₅)₂	diethylamine	dea
1293	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1294	C₃O₂	Carbon suboxide	c3o2
1295	C₃O₂⁺	Carbon suboxide cation	c3o2+
1296	B₂O₃	diboron trioxide	b2o3
1297	MgCO₃	Magnesium Carbonate	mgco3
1298	BeCO₃	Beryllium Carbonate	beco3
1299	CaCO₃	Calcium Carbonate	caco3
1300	ONONO	Nitrosyl nitrite	onono
1301	PO₄^---	phosphate	po4---
1302	SO₄^--	sulfate	so4--
1303	HOONO₂	peroxy nitric acid	hoono2
1304	HSO₄^-	bisulfate anion	hso4-
1305	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1306	C₃H₂O₂	Propiolic acid	c3h2o2
1307	CHOCOOH	oxo acetic acid	oaa
1308	CHOOCHO	diformyl ether	choocho
1309	H₂SO₄	Sulfuric acid	h2so4
1310	H₂SeO₄	Selenic acid	h2seo4
1311	C₃H₃NO	Isoxazole	isox
1312	C₃H₃NO	Oxazole	oxazole
1313	C₃H₃NS	Thiazole	thiazole
1314	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1315	CH₃NO₃	Methyl nitrate	ch3no3
1316	H₃PO₄	Phosphoric Acid	h3po4
1317	C₄H₄O	Furan	furan
1318	C₄H₄O⁺	Furan cation	furan+
1319	CH₃COCCH	3-butyn-2-one	c1423605
1320	C₄H₄S	Thiophene	furans
1321	C₄H₄Se	selenophene	c4h4se
1322	C₃H₄O₂	β–Propiolactone	beta
1323	C₃H₄O₂	2-Propenoic acid	propenoic2
1324	C₃H₄O₂	Methyl glyoxal	megly
1325	C₃H₄O₂	propanedial	propanedial
1326	C₃H₄O₂	propenalol	propenalol
1327	HOCHCCHOH	allenediol	aldiol
1328	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1329	C₂H₄O₃	trioxolane124	triox
1330	HOCH₂COOH	Hydroxyacetic acid	hac
1331	CH₂CHCONH₂	Acrylamide	c79061
1332	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1333	CH₅N₃S	Hydrazinecarbothioamide	c79196
1334	H₂NCH₂COOH	Glycine	glycine
1335	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1336	C₄H₆O	cis-2-butenal	butenal2c
1337	C₄H₆O	Cyclobutanone	cbutone
1338	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1339	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1340	CH₂CHOCHCH₂	Vinyl ether	vinylether
1341	CHOCHCHCH₃	2-Butenal	butenal2
1342	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1343	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1344	CH₂CHSCHCH₂	Divinyl sulfide	divis
1345	C₂H₆N₂O	Urea, methyl-	c598505
1346	C₃H₆O₂	1,3-Dioxolane	dioxolane
1347	CH₃CH₂COOH	Propanoic Acid	propanoic
1348	CH₃COOCH₃	methyl acetate	aame
1349	HCOOC₂H₅	Ethyl formate	faee
1350	C₂H₆O₂S	Dimethyl sulfone	c67710
1351	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1352	C₃H₇NO	dimethylformamide	dmf
1353	C₃H₇NO	Propanamide	propanam
1354	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1355	C₄H₈O	Cyclobutanol	c2919235
1356	C₄H₈O	Furan, tetrahydro-	thf
1357	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1358	CH₃COCH₂CH₃	2-Butanone	buta2one
1359	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1360	CHOCH₂CH₂CH₃	Butanal	butanal
1361	C₄H₈S	Thiophene, tetrahydro-	tht
1362	C₃H₈O₂	1,3-Propanediol	c504632
1363	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1364	C₃H₈O₂	Methane, dimethoxy-	c109875
1365	C₃H₈O₂	Propylene glycol	c57556
1366	C₃H₈S₂	1,3-Propanedithiol	c109808
1367	C₄H₁₀O	1-Butanol	butanol1
1368	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1369	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1370	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1371	C₄H₁₀O	Ethoxy ethane	etoet
1372	C₄H₁₀O	Methyl propyl ether	meopr
1373	C₄H₁₀O	Propane, 2-methoxy-	c598538
1374	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1375	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1376	C₂H₅SC₂H₅	Diethyl sulfide	etset
1377	C₄H₉SH	1-Butanethiol	bush
1378	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1379	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1380	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1381	FNO₃	Fluorine nitrate	fno3
1382	ClONO₂	Chlorine nitrate	clono2
1383	TiCl₄	Titanium tetrachloride	ticl4
1384	ClO₄^-	perchlorate anion	clo4-
1385	BF₄^-	tetrafluoroboron anion	bf4-
1386	ClFO₃	Perchloryl fluoride	clfo3
1387	SO₂F₂	Sulfuryl fluoride	so2f2
1388	SO₂Cl₂	Sulfuryl chloride	so2cl2
1389	F₃NO	Nitrogen trifluoride oxide	f3no
1390	F₃PO	Phosphoryl fluoride	pf3o
1391	Cl₃PO	Phosphoryl chloride	pcl3o
1392	CF₄	Carbon tetrafluoride	cf4
1393	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1394	SiF₄	Silicon tetrafluoride	sif4
1395	CF₂Cl₂	difluorodichloromethane	cf2cl2
1396	CFCl₃	Trichloromonofluoromethane	cfcl3
1397	CF₃Br	Bromotrifluoromethane	cf3br
1398	GeF₄	Germanium tetrafluoride	gef4
1399	CCl₄	Carbon tetrachloride	ccl4
1400	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1401	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1402	SiCl₄	Silane, tetrachloro-	sicl4
1403	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1404	CF₃I	trifluoroiodomethane	cf3i
1405	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1406	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1407	GeCl₄	Germanium Tetrachloride	gecl4
1408	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1409	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1410	CCl₃I	trichloroiodomethane	ccl3i
1411	CFBr₃	fluorotribromomethane	cfbr3
1412	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1413	CBr₃Cl	tribromochloromethane	cbr3cl
1414	CF₂I₂	difluorodiiodomethane	cf2i2
1415	CBr₄	Carbon tetrabromide	cbr4
1416	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1417	SiBr₄	Silicon tetrabromide	sibr4
1418	CBr₃I	tribromoiododmethane	cbr3i
1419	GeBr₄	Germanium tetrabromide	gebr4
1420	CI₄	tetraiodomethane	ci4
1421	SiI₄	silicon tetraiodide	sii4
1422	ClOF₃	Chlorine trifluoride oxide	clof3
1423	SF₄	Sulfur tetrafluoride	sf4
1424	SeF₄	Selenium tetrafluoride	sef4
1425	SCl₄	Sulfur tetrachloride	scl4
1426	C₂HF₃	Trifluoroethylene	c2hf3
1427	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1428	CHClCCl₂	Trichloroethylene	chclccl2
1429	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1430	HClO₄	perchloric acid	hclo4
1431	HSO₃F	Fluorosulfonic acid	hso3f
1432	CF₃OH	trifluoromethanol	cf3oh
1433	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1434	CHClCCHCl	1,3-dichloroallene	chclcchcl
1435	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1436	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1437	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1438	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1439	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1440	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1441	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1442	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1443	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1444	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1445	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1446	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1447	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1448	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1449	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1450	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1451	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1452	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1453	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1454	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1455	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1456	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1457	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1458	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1459	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1460	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1461	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1462	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1463	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1464	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1465	C₄H₉F	1-fluorobutane	butaf1
1466	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1467	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1468	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1469	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1470	XeF₄	Xenon tetrafluoride	xef4
1471	C₂H₂N₂O	Furazan	furazan
1472	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1473	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1474	C₆H₂	hexatriyne	c6h2
1475	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1476	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1477	C₆H₄	Benzyne	benzyne
1478	C₆H₅	phenyl	phenyl
1479	C₆H₅^-	phenyl anion	phenyl-
1480	C₆H₆	Prismane	prismane
1481	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1482	C₆H₆	2,4-Hexadiyne	hexadiyne
1483	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1484	C₆H₆	Benzene	benzene
1485	C₆H₆	Benzvalene	bv
1486	C₆H₆	Dewar Benzene	dewar
1487	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1488	C₆H₆	Trimethylenecycopropane	tmcp
1489	C₆H₆⁺	Benzene cation	c6h6+
1490	C₆H₇⁺	benzene, protonated	c6h7+
1491	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1492	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1493	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1494	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1495	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1496	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1497	C₆H₈	3-Methylenecyclopentene	c930267
1498	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1499	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1500	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1501	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1502	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1503	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1504	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1505	C₆H₁₀	1,5-Hexadiene	c592427
1506	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1507	C₆H₁₀	1-Hexyne	hexyne1
1508	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1509	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1510	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1511	C₆H₁₀	2-Hexyne	c764352
1512	C₆H₁₀	3-Hexyne	hexyne3
1513	C₆H₁₀	cyclohexene	cyclohexene
1514	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1515	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1516	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1517	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1518	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1519	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1520	C₆H₁₂	(E)-2-Hexene	e2hexene
1521	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1522	C₆H₁₂	(E)-hex-3-ene	e3hexene
1523	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1524	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1525	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1526	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1527	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1528	C₆H₁₂	3-methylenepentane	c760214
1529	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1530	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1531	C₆H₁₂	Cyclohexane	cyclohexane
1532	C₆H₁₂	Cyclopentane, methyl-	c96377
1533	C₆H₁₂	Ethylcyclobutane	c4806615
1534	C₆H₁₂	hex-1-ene	hexene1
1535	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1536	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1537	C₆H₁₄	Hexane	hexane
1538	C₆H₁₄	Pentane, 2-methyl-	penta2
1539	C₆H₁₄	Pentane, 3-methyl-	penta3
1540	C₄N₂	2-Butynedinitrile	c4n2
1541	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1542	C₄H₂N₂	Fumaronitrile	c4h2n2
1543	C₂H₂N₄	sym-tetrazine	ttz
1544	C₃H₃N₃	1,3,5-Triazine	triazine135
1545	CH₃N₅	5-Aminotetrazole	c4418615
1546	C₄H₄N₂	1,3-Diazine	diazine13
1547	C₄H₄N₂	Pyrazine	pyrazine
1548	C₄H₄N₂	Pyridazine	pyridazine
1549	C₄H₄N₂	Succinonitrile	c110612
1550	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1551	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1552	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1553	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1554	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1555	C₅H₅N	Pyridine	pyridine
1556	B₃N₃H₆	borazine	borazine
1557	C₆H₆	Fulvene	fulvene
1558	C₅H₆N⁺	Pyridinium	c5h6n
1559	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1560	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1561	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1562	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1563	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1564	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1565	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1566	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1567	C₅H₉N	Pentanenitrile	c110598
1568	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1569	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1570	C₅H₁₁N	Cyclopentanamine	cypentam
1571	C₅H₁₁N	Piperidine	piper
1572	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1573	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1574	Li₂CO₃	Lithium Carbonate	li2co3
1575	Na₂CO₃	Sodium Carbonate	na2co3
1576	C₂O₄^--	oxalate anion	c2o4
1577	MgSO₄	Magnesium Sulfate	mgso4
1578	N₂O₄	Dinitrogen tetroxide	n2o4
1579	C₃H₂O₃	vinylene carbonate	vica
1580	C₂H₂O₄	Oxalic Acid	oxalic
1581	C₂H₃NO₃	Oxamic acid	oxamic
1582	C₄H₄O₂	2(5H)-Furanone	furanone
1583	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1584	C₂H₄N₂O₂	Oxalamide	oxalamide
1585	C₂H₄N₂S₂	Ethanedithioamide	c79403
1586	C₂H₄CO₃	Ethylene carbonate	etco3
1587	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1588	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1589	C₂H₄O₄	Formic acid dimer	fadimer
1590	C₄H₅NO	3-Methylisoxazole	isox3m
1591	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1592	C₄H₅NS	4-Methylthiazole	c693958
1593	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1594	C₅H₆O	2H-Pyran	pyran2
1595	C₅H₆O	2-methylfuran	furan2m
1596	C₅H₆O	3-Methylfuran	furan3m
1597	C₅H₆O	Pentadienal	pdal
1598	C₅H₆S	Thiophene, 2-methyl-	c554143
1599	C₅H₆S	Thiophene, 3-methyl-	c616444
1600	C₄H₆O₂	γ–Butyrolactone	c96480
1601	C₄H₆O₂	2,3-Butanedione	c431038
1602	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1603	C₄H₆O₂	Crotonic Acid	crot
1604	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1605	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1606	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1607	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1608	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1609	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1610	C₄H₆OS	Vinyl sulfoxide	c1115157
1611	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1612	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1613	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1614	C₃H₆O₃	1,3,5-Trioxane	trioxane
1615	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1616	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1617	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1618	C₄H₇NO	2-Pyrrolidinone	c616455
1619	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1620	C₄H₇NO	Methacrylamide	c79390
1621	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1622	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1623	C₃H₇ONO	Propyl nitrite	prono
1624	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1625	CH₃CH(NH₂)COOH	Alanine	alanine
1626	CH₃NHCH₂COOH	Sarcosine	sarcosine
1627	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1628	NH₂COOC₂H₅	Urethane	urethane
1629	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1630	C₅H₈O	Cyclopentanone	c120923
1631	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1632	C₅H₈O	Methyl cyclopropyl ketone	c765435
1633	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1634	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1635	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1636	C₄H₈O₂	1,3-Dioxane	dioxan13
1637	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1638	C₄H₈O₂	1,4-Dioxane	dioxan14
1639	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1640	C₄H₈O₂	Ethyl acetate	c141786
1641	C₄H₈OS	s-Ethyl thioacetate	c625605
1642	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1643	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1644	C₄H₉NO	Butanamide	c541355
1645	C₄H₉NO	Propanamide, 2-methyl-	c563837
1646	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1647	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1648	C₅H₁₀O	2-methylbutyraldehyde	2meba
1649	C₅H₁₀O	2-Pentanone	mpk
1650	C₅H₁₀O	3-Pentanone	dek
1651	C₅H₁₀O	Cyclopentanol	c96413
1652	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1653	C₅H₁₀O	Pentanal	pal
1654	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1655	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1656	C₅H₁₀S	Cyclopentanethiol	c1679078
1657	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1658	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1659	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1660	C₄H₁₀O₂	1,3-Butanediol	budiol13
1661	C₄H₁₀O₂	1,4-Butanediol	budiol14
1662	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1663	C₄H₁₀OS	Diethyl sulfoxide	c70291
1664	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1665	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1666	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1667	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1668	C₅H₁₂O	1-Pentanol	pentanol1
1669	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1670	C₅H₁₂O	2-Pentanol	peol2
1671	C₅H₁₂O	3-Pentanol	pentan3ol
1672	C₅H₁₂O	Butane, 1-methoxy-	meobu
1673	C₅H₁₂O	Propane, 1-ethoxy-	proet
1674	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1675	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1676	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1677	C₅H₁₂S	1-Pentanethiol	c110667
1678	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1679	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1680	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1681	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1682	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1683	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1684	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1685	C₄F₂	difluorobutadiyne	c4f2
1686	ClCOClCO	Oxalyl chloride	oxcl
1687	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1688	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1689	B₂F₄	Diboron tetrafluoride	b2f4
1690	B₂Cl₄	Diboron tetrachloride	b2cl4
1691	C₂F₄	Tetrafluoroethylene	c2f4
1692	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1693	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1694	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1695	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1696	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1697	C₂FCl₃	fluorotrichloroethene	c2fcl3
1698	C₂Cl₄	Tetrachloroethylene	c2cl4
1699	C₂Br₄	tetrabromoethene	c2br4
1700	CF₃OF	Trifluoromethylhypofluorite	cf3of
1701	SiF₅^-	silicon pentafluoride anion	sif5-
1702	SOF₄	Sulfur tetrafluoride oxide	sof4
1703	PF₅	Phosphorus pentafluoride	pf5
1704	AsF₅	Arsenic pentafluoride	asf5
1705	PCl₅	Phosphorus pentachloride	pcl5
1706	SF₅	Sulfur pentafluoride	sf5
1707	SF₅⁺	pentafluoro sulfur cation	sf5+
1708	SbCl₅	Antimony pentachloride	sbcl5
1709	BrF₅	bromine pentafluoride	brf5
1710	ClF₅	chlorinepentafluoride	clf5
1711	IF₅	pentafluoroiodine	if5
1712	CF₃CHO	trifluoroacetaldehyde	cf3cho
1713	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1714	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1715	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1716	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1717	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1718	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1719	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1720	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1721	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1722	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1723	CF₃COOH	trifluoroacetic acid	cf3cooh
1724	C₄H₃ClO	Furan, 2-chloro	fur2cl
1725	C₄H₃ClO	Furan,3-chloro	fur3cl
1726	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1727	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1728	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1729	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1730	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1731	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1732	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1733	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1734	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1735	C₄H₈O₂	Butanoic acid	bua
1736	C₆H₅CH₂	benzyl radical	benzyl
1737	C₇H₇	cycloheptatrienyl radical	c7h7
1738	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1739	C₆H₅CH₃	toluene	toluene
1740	C₇H₈	cycloheptatriene	cht
1741	C₇H₈	Norbornadiene	norbor
1742	C₇H₈	Quadricyclane	qucy
1743	C₇H₁₂	Norbornane	nor
1744	C₇H₁₄	cycloheptane	c7h14
1745	C₇H₁₆	2-methylhexane	2mhex
1746	C₇H₁₆	3-methylhexane	hex3m
1747	C₇H₁₆	heptane	heptane
1748	CH(CN)₃	tricyanomethane	mecn3
1749	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1750	C₆H₇N	2-Methylpyridine	mp
1751	C₆H₅NH₂	aniline	aniline
1752	C₆H₁₃N	2-Methylpiperidine	pip2m
1753	C₆H₁₃N	cyclohexanamine	cham
1754	C₆H₁₅N	triethylamine	tea
1755	N₂O₅	Dinitrogen pentoxide	n2o5
1756	C₄H₂O₃	Maleic Anhydride	malan
1757	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1758	C₅H₄O₂	furfural	furfural
1759	C₆H₅O	phenoxy radical	phenoxy
1760	C₅H₅NO	2(1H)-Pyridinone	c72762006
1761	C₅H₅NO	2(3H)-Pyridinone	c9000048
1762	C₅H₅NO	2(5H)-Pyridinone	c9000037
1763	C₅H₅NO	2-Pyridinol	c109104
1764	C₅H₅NO	3(2H)-Pyridinone	c9000004
1765	C₅H₅NO	3(4H)-Pyridinone	c9000026
1766	C₅H₅NO	3(6H)-Pyridinone	c9000015
1767	C₅H₅NO	3-Pyridinol	c109002
1768	C₅H₅NO	4(1H)-Pryidinone	c9000060
1769	C₅H₅NO	4(3H)-Pryidinone	c9000059
1770	C₅H₅NO	4-Pyridinol	c626642
1771	C₆H₅OH	phenol	phenol
1772	C₆H₆O	2,4-Cyclohexadienone	c24599573
1773	C₆H₆O	2,5-Cyclohexadienone	c5664335
1774	C₆H₅SH	Benzenethiol	phsh
1775	HO₂CCHNH₂CH₂OH	Serine	serine
1776	C₅H₈O₂	Acetylacetone	acac
1777	C₄H₈O₂S	Sulfolane	sulfolane
1778	C₇H₁₀	Norbornene	norbornene
1779	CH(C₂H₃)₃	trivinyl methane	tvm
1780	C₆H₁₀O	cyclohexanone	chexo
1781	C₆H₁₂O	hexanal	c6h12o
1782	C₆H₁₂O	Oxepane	oxepane
1783	C₃H₇OC₃H₇	di-n-propyl ether	propr
1784	F₂CCCF₂	tetrafluoroallene	pfa
1785	CF₃COO^-	trifluoro acetate anion	cf3coo-
1786	CF₃COF	trifluoroacetyl fluoride	cf3cof
1787	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1788	PF₆	Hexafluorophosphate neutral	pf6
1789	PF₆^-	Hexafluorophosphate ion	pf6-
1790	SF₆	Sulfur Hexafluoride	sf6
1791	SeF₆	Selenium hexafluoride	sef6
1792	SF₅Cl	sulfur chloropentafluoride	sf5cl
1793	CF₃CHF₂	pentafluoroethane	cf3chf2
1794	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1795	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1796	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1797	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1798	C₆H₅F	Fluorobenzene	bzf
1799	C₆H₅Cl	chlorobenzene	bzcl
1800	C₆H₅Br	bromobenzene	bzbr
1801	C₈H₆	Calicene	calicene
1802	C₆H₅CCH	phenylacetylene	phac
1803	C₈H₆	benzocyclobutadiene	bcbd
1804	C₈H₆	Pentalene	pentalene
1805	C₆H₅CHCH₂	Styrene	styrene
1806	C₈H₈	cubane	cubane
1807	C₈H₈	cyclooctatetraene	cot
1808	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1809	CH₃C₆H₄CH₃	meta-xylene	mxylene
1810	CH₃C₆H₄CH₃	paraxylene	pxylene
1811	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1812	C₈H₁₆	cyclooctane	cyclooct
1813	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1814	C₈H₁₈	Octane	c8h18
1815	C₆H₅CN	phenyl cyanide	phcn
1816	C₆H₁₂N₂	Triethylenediamine	ted
1817	C₄O₄^--	squarate dianion	c4o4--
1818	S₄N₄	Tetrasulfur tetranitride	s4n4
1819	S₈	Octasulfur	s8
1820	C₆H₄O₂	parabenzoquinone	pbq
1821	C₄H₄N₂O₂	Uracil	uracil
1822	C₆H₅CHO	benzaldehyde	benzal
1823	C₆H₅OCH₃	Anisole	anisole
1824	C₅H₉NO₂	Proline	proline
1825	C₆H₁₂O₂	Methyl pivalate	c598981
1826	C₆H₁₂O₂	Hexanoic acid	hexa
1827	C₄F₄	tetrafluorcyclobutadiene	c4f4
1828	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1829	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1830	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1831	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1832	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1833	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1834	C₂F₆	hexafluoroethane	c2f6
1835	C₂Cl₆	hexachloroethane	c2cl6
1836	IF₇	Iodine heptafluoride	if7
1837	C₆H₄F₂	metadifluorobenzene	mdfb
1838	C₆H₄F₂	orthodifluorobenzene	odfb
1839	C₆H₄F₂	1,4-difluorobenzene	pdfb
1840	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1841	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1842	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1843	C₆H₅NO	nitrosobenzene	bzno
1844	C₉H₈	Indene	indene
1845	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1846	C₉H₁₂	n-propyl benzene	prbz
1847	C₉H₂₀	Nonane	nonane
1848	C(CN)₄	tetracyanomethane	c5n4
1849	C₅H₄N₄	purine	purine
1850	C₈H₇N	Indole	indole
1851	C₃H₃N₃O₃	cyanuric acid	cyanuric
1852	C₆H₅NO₂	Nitrobenzene	c6h5no2
1853	C₆H₅COOH	benzoic acid	benzo
1854	CH₃COC₆H₅	acetophenone	acph
1855	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1856	C₃F₆	hexafluoropropene	c3f6
1857	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1858	C₈H₁₈O	1-Octanol	octanol
1859	C₁₀H₈	Azulene	azu
1860	C₁₀H₈	naphthalene	naph
1861	C₁₀H₁₀	bullvalene	bullv
1862	C₁₀H₁₆	adamantane	adamantane
1863	C₆N₄	Tetracyanoethylene	tcne
1864	C₆N₄^-	tetracyanoethylene anion	tcne-
1865	C₁₀H₂₂	Decane	decane
1866	C₄F₆	perfluorobutadiene	c4f6
1867	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1868	C₃F₈	perfluoropropane	c3f8
1869	Fe(CO)₅	Iron pentacarbonyl	ipc
1870	Fe(C₅H₅)₂	ferrocene	fecp2
1871	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1872	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1873	C₁₂H₈	Acenaphthylene	acenaph
1874	C₁₂H₈	biphenylene	biph
1875	C₁₂H₁₀	biphenyl	biphenyl
1876	C₁₂H₁₀	Heptalene	heptalene
1877	C₆H₁₂O₆	Inositol	inositol
1878	C₆F₆	hexafluorobenzene	c6f6
1879	S₂F₁₀	disulphur decafluoride	s2f10
1880	C₁₃H₁₀	Fluorene	fluorene
1881	C₁₄H₁₀	Anthracene	anth
1882	C₁₄H₁₀	Phenanthrene	phenanthrene
1883	C₁₄H₁₄	Bibenzyl	bibenzyl
1884	C₁₂H₁₀N₂	azobenzene	azobenzene
1885	C₆H₅COC₆H₅	benzophenone	benzophenone
1886	C₁₆H₁₀	Pyrene	pyrene
1887	C₁₈H₁₂	Tetracene	tetracene
1888	C₁₉H₁₆	Triphenylmethane	tpm
1889	C₂₄H₁₂	Coronene	coronene
1890	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