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

List of which calculations are completed at ROHF /aug-cc-pVDZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
4	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
5	He	Helium atom
6	He⁺	Helium atom cation	²S	K_h
7	HeH⁺	Helium hydride cation	¹Σ	C_∞v
8	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
9	Li	Lithium atom	²S	K_h
10	Li⁺	Lithium atom cation	¹S	K_h
11	Na	Sodium atom	²S	K_h
12	Na^-	Sodium atom anion	¹S	K_h
13	LiH⁺	lithium hydride cation	²Σ	C_∞v
14	NaH⁺	sodium hydride cation	²Σ	C_∞v
15	Be⁺	Beryllium atom cation	²S	K_h
16	Mg^-	Magnesium atom anion	²P	K_h
17	Mg⁺	Magnesium atom cation	²S	K_h
18	BeH	beryllium monohydride	²Σ	C_∞v
19	MgH	magnesium monohydride	²Σ	C_∞v
20	TiH	Titanium monohydride	⁴Φ	C_∞v
21	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
22	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
23	BeH₂⁺	Beryllium dihydride cation
24	B	Boron atom	²P	K_h
25	B	Boron atom	⁴P	K_h
26	B⁺	Boron atom cation	¹S	K_h
27	Al	Aluminum atom	²P	K_h
28	Al^-	Aluminum atom anion	³P	K_h
29	Al⁺	Aluminum atom cation	¹S	K_h
30	Sc	Scandium atom	²D	K_h
31	Sc⁺	Scandium cation	³D	K_h
32	Ga	Gallium atom	²P
33	Ga^-	Gallium atom anion	³P	O_h
34	Ga⁺	Gallium atom cation	¹S
35	BH	Boron monohydride	³Π	C_∞v
36	BH^-	boron monohydride anion	⁴Σ	C_∞v
37	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
38	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
39	BH₂^-	boron dihydride anion	³B₁	C_2v
40	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
41	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
42	BH₃⁺	boron trihydride cation	²E^'	D_3h
43	BH₃⁺	boron trihydride cation	²B₂	C_2v
44	BH₃⁺	boron trihydride cation		C_2v
45	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
46	AlH₃^-	aluminum trihydride anion		C_3v
47	AlH₃⁺	aluminum trihydride cation	²E	D_3h
48	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
49	BH₄	borohydride	²B₂	C_2v
50	BH₄^-	borohydride anion	¹A₁	T_d
51	C	Carbon atom	³P₀	K_h
52	C^-	Carbon atom anion	²D	K_h
53	C⁺	Carbon atom cation	²P	K_h
54	Si	Silicon atom	³P	K_h
55	Si^-	Silicon atom anion	⁴S	K_h
56	Si⁺	Silicon atom cation	²P	K_h
57	Ge	Germanium atom	³P	K_h
58	Ge^-	Germanium anion	⁴S	K_h
59	Ge⁺	Germanium cation	²P	K_h
60	CH	Methylidyne	²Π_1/2	C_∞v
61	SiH	Silylidyne	²Π	C_∞v
62	SiH^-	silicon monohydride anion	³Σ	C_∞v
63	GeH	germylidene	²Π	C_∞v
64	CH₂	Methylene	³B₁	C_2v
65	CH₂	Methylene	³Σ_G	D_∞h
66	CH₂^-	methylene anion	²B₁	C_2v
67	CH₂⁺	methylene cation	²A₁	C_2v
68	CH₂⁺	methylene cation	²Π	D_∞h
69	SiH₂	silicon dihydride	³B₁	C_2v
70	SiH₂^-	silicon dihydride anion	²B₁	C_2v
71	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
72	GeH₂	germylene	¹A₁	C_2v
73	GeH₂^-	germylene anion	²B₁	C_2v
74	CH₃	Methyl radical	²A₁	D_3h
75	CH₃^-	methyl anion	¹A₁	C_3v
76	CH₃⁺	methyl cation	¹A₁^'	D_3h
77	SiH₃	Silyl radical	²A₁	C_3v
78	SiH₃^-	Silyl anion	¹A₁	C_3v
79	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
80	GeH₃	Germyl radical	²A₁	C_3v
81	GeH₃⁺	germyl cation	¹A₁^'	D_3h
82	N	Nitrogen atom	⁴S	K_h
83	N	Nitrogen atom	²D	K_h
84	N^-	Nitrogen atom anion	³S	K_h
85	N⁺	Nitrogen atom cation	³P	K_h
86	P	Phosphorus atom	⁴S	K_h
87	P^-	Phosphorus atom anion	³P	K_h
88	P⁺	Phosphorus atom cation	³P	K_h
89	V	Vanadium atom	⁴F	K_h
90	V⁺	Vanadium atom cation	⁵D	K_h
91	As	Arsenic atomic	⁴S	K_h
92	As^-	Arsenic anion	³P	K_h
93	As⁺	Arsenic cation	³P	K_h
94	PH	phosphorus monohydride	³Σ^-	C_∞v
95	AsH	Arsenic monohydride	³Σ	C_∞v
96	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
97	NH₂	Amino radical	²B₁	C_2v
98	NH₂⁺	Amino cation	³B₁	C_2v
99	PH₂^-	Phosphino anion	¹A₁	C_2v
100	PH₂⁺	Phosphino cation	¹A₁	C_2v
101	AsH₂	Arsenic dihydride	²A₁	C_2v
102	NH₃^-	Ammonia anion	²A₁	C_3v
103	NH₃⁺	ammonia cation	²A₂^"	D_3h
104	PH₃⁺	Phosphine cation	²A₁	C_3v
105	AsH₃⁺	Arsine cation	²A₁	C_3v
106	NH₄	Ammonium radical
107	PH₄	Phosphoranyl radical
108	O	Oxygen atom	³S	K_h
109	O^-	Oxygen atom anion	²P	K_h
110	O⁺	Oxygen atom cation	⁴S	K_h
111	S	Sulfur atom	³P	K_h
112	S^-	Sulfur atom anion	²P	K_h
113	S⁺	Sulfur atom cation	⁴S	K_h
114	Se	Selenium atom	³P	K_h
115	Se^-	Selenium atom anion	²P	K_h
116	Se⁺	Selenium atom cation	⁴S	K_h
117	OH	Hydroxyl radical	²Π	C_∞v
118	OH⁺	hydoxyl cation	³Σ	C_∞v
119	HS	Mercapto radical	²Π	C_∞v
120	HS^-	mercapto anion	¹Σ	C_∞v
121	HS⁺	sulfur monohydride cation	³Σ	C_∞v
122	CrH	Chromium hydride	⁶Σ	C_∞v
123	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
124	HSe	Selenium monohydride	²Π	C_∞v
125	HSe⁺	selenium monohydride cation	³Σ	C_∞v
126	H₂O^-	water anion	²A₁	C_2v
127	H₂O^-	water anion	²A^'	C_s
128	H₂O⁺	water cation	²B₁	C_2v
129	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
130	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
131	H₂Se	Hydrogen selenide	¹A₁	C_2v
132	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
133	H₃S⁺	Sulfonium cation	¹A₁	C_3v
134	F	Fluorine atom	²P	K_h
135	F^-	Fluorine atom anion	¹S	K_h
136	F⁺	Fluorine atom cation	³S	K_h
137	F⁺	Fluorine atom cation	¹D	K_h
138	Cl	Chlorine atom	²P	K_h
139	Cl^-	Chlorine atom anion	¹S	K_h
140	Cl⁺	Chlorine atom cation	³P	K_h
141	Cl⁺	Chlorine atom cation	¹D	K_h
142	Br	Bromine atom	²P	K_h
143	Br^-	Bromine atom anion	¹S	K_h
144	Br⁺	Bromine atom cation	³P	K_h
145	HF^-	hydrogen fluoride anion	²Σ	C_∞v
146	HF⁺	hydrogen fluoride cation	²Π	C_∞v
147	HCl^-	hydrogen chloride anion	²Σ	C_∞v
148	HCl⁺	hydrogen chloride cation	²Π	C_∞v
149	HBr	hydrogen bromide	¹Σ	C_∞v
150	HBr^-	hydrogen bromide anion	²Σ	C_∞v
151	HBr⁺	hydrogen bromide cation	²Π	C_∞v
152	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
153	Ne	Neon atom
154	Ne^-	Neon atom anion	²S	K_h
155	Ne⁺	Neon atom cation	²P	K_h
156	Ar^-	Argon atom anion	²S	K_h
157	Ar⁺	Argon atom cation	²P	K_h
158	Kr⁺	Krypton cation	²P	K_h
159	NeH	neon hydrogen	²Σ	C_∞v
160	ArH⁺	Argon hydride cation	¹Σ	C_∞v
161	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
162	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
163	LiBe	Lithium Beryllium	²Σ	C_∞v
164	LiMg	Lithium magnesium	²Σ	C_∞v
165	NaBe	Sodium Beryllium	²Σ	C_∞v
166	NaMg	Sodium Magnesium	²Σ	C_∞v
167	Be₂	Beryllium diatomic	³Π_g	D_∞h
168	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
169	LiB	Lithium boride	³Π	C_∞v
170	BeB	Beryllium monoboride	²Π	C_∞v
171	B₂	Boron diatomic	³Σ_g	D_∞h
172	B₂	Boron diatomic	⁵Σ_u	D_∞h
173	B₂⁺	Boron diatomic cation	²Π	D_∞h
174	BAl	Boron Aluminum	³Σ	C_∞v
175	BGa	Boron Gallium	³Σ	C_∞v
176	AlGa	Aluminum Gallium	³Σ	C_∞v
177	Ga₂	Gallium diatomic	³P_iu
178	HBBH	Diborane(2)	³Σ_G	D_∞h
179	B₂H₆⁺	Diborane cation
180	LiC	Lithium Carbide	⁴Σ	C_∞v
181	BeC	Beryllium Carbide	³Σ^-	C_∞v
182	BeC	Beryllium Carbide
183	BC	boron monocarbide	⁴Σ^-	C_∞v
184	BC^-	boron monocarbide anion	³Π_u	C_∞v
185	AlC	Aluminum carbide	⁴Σ	C_∞v
186	BSi	Boron silicide	⁴Σ	C_∞v
187	BSi	Boron silicide	²Σ	C_∞v
188	C₂	Carbon diatomic	³Π_u	D_∞h
189	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
190	SiC	silicon monocarbide	³Σ	C_∞v
191	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
192	SiC⁺	silicon monocarbide cation	²Π	C_∞v
193	Si₂	Silicon diatomic	³Σ_g	D_∞h
194	GeC	Germanium monocarbide	¹Σ	C_∞v
195	SiGe	Silicon Germanium
196	Ge₂	Germanium diatomic	³Σ_g	D_∞h
197	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
198	C₂H	Ethynyl radical	²Σ	C_∞v
199	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
200	C₂H₂⁺	acetylene cation
201	CCH₂	vinylidene	¹A₁	C_2v
202	CCH₂	vinylidene	³B₂	C_2v
203	H₂CC^-	vinylidene anion
204	HCCH^-	acetylene anion
205	HCCH^-	acetylene anion
206	CH₃Li	methyl lithium	¹A₁	C_3v
207	C₂H₃	vinyl	²A^'	C_s
208	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
209	C₂H₄^-	Ethylene anion	²B_2g	D_2h
210	C₂H₄^-	Ethylene anion	²A_g	C_2h
211	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
212	C₂H₄⁺	Ethylene cation	²B₃	D₂
213	CH₃CH	methylmethylene	³A^"	C_s
214	C₂H₅	Ethyl radical	²A^'	C_s
215	C₂H₆⁺	ethane cation	²B_g	C_2h
216	C₂H₆⁺	ethane cation	²A_g	C_i
217	LiN	Lithium Nitride	³Σ	C_∞v
218	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
219	LiP	Lithium monophosphide
220	BeN	Beryllium mononitride	⁴Σ	C_∞v
221	BeN	Beryllium mononitride	²Π	C_∞v
222	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
223	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
224	MgN	Magnesium Nitride
225	MgN	Magnesium Nitride
226	BP	Boron monophosphide	³Π	C_∞v
227	AlP	Aluminum monophosphide	³Σ	C_∞v
228	AlP	Aluminum monophosphide	³Π	C_∞v
229	GaN	Gallium mononitride	³Π	C_∞v
230	GaP	Gallium monophosphide	³Σ	C_∞v
231	GaAs	Gallium arsenide	³Π
232	GaAs	Gallium arsenide	¹Σ
233	BN	boron nitride	³Π	C_∞v
234	CN	Cyano radical	²Σ	C_∞v
235	SiP	Silicon monophosphide	²Π	C_∞v
236	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
237	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
238	N₂	Nitrogen diatomic
239	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
240	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
241	HNB	hydrogen nitrogen boron	²Σ	C_∞v
242	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
243	HNC⁺	hydrogen isocyanide cation
244	HCP⁺	Phosphaethyne cation
245	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
246	CNH₂	Aminomethylidyne radical	²B₂	C_2v
247	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
248	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
249	HCNH	methyleneazane	²A^'	CS cis
250	HCNH	methyleneazane	²A^'	CS trans
251	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
252	CH₂NH⁺	Methanimine cation
253	CHNH₂⁺	Aminocarbene cation
254	N₂H₄⁺	hydrazine cation	²A_G	C_2h
255	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
256	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
257	LiO	lithium oxide	²Σ	C_∞v
258	LiO^-	lithium oxide anion	¹Σ	C_∞v
259	LiO^-	lithium oxide anion	³Σ	C_∞v
260	LiO⁺	lithium oxide cation	³Σ	C_∞v
261	LiS	Lithium monosulfide	²Π	C_∞v
262	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
263	NaO	sodium monoxide	²Σ	C_∞v
264	NaS	Sodium sulfide	²Π	C_∞v
265	LiSe	Lithium monoselenide
266	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
267	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
268	BO	boron monoxide	²Σ	C_∞v
269	BO^-	boron monoxide anion	¹Σ	C_∞v
270	ScO	Scandium monoxide	²Σ	C_∞v
271	GaO	Gallium monoxide	²Σ	C_∞v
272	GaS	Gallium monosulfide
273	CO	Carbon monoxide	³Π	C_∞v
274	CO^-	carbon monoxide anion	²Π	C_∞v
275	CO⁺	carbon monoxide cation	²Σ	C_∞v
276	TiO	Titanium monoxide	³Δ	C_∞v
277	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
278	SiSe⁺	Silicon Monoselenide cation
279	NO	Nitric oxide	²Π	C_∞v
280	NO^-	nitric oxide anion	³Σ	C_∞v
281	NS	Mononitrogen monosulfide	²Π	C_∞v
282	NS^-	nitrogen sulfide anion	³Σ	C_∞v
283	PO	Phosphorus monoxide	²Π	C_∞v
284	PS	phosphorus sulfide	²Σ	C_∞v
285	VO	Vanadium monoxide	⁴Σ^-
286	AsO	Arsenic monoxide	²Π	C_∞v
287	NSe	Nitrogen monoselenide	²Π	C_∞v
288	AsS	Arsenic monosulfide	²Π	C_∞v
289	PSe	Phosphorus monoselenide	²Π	C_∞v
290	AsSe	Arsenic monoselenide	²Π	C_∞v
291	O₂	Oxygen diatomic	³Σ_g	D_∞h
292	O₂^-	oxygen diatomic anion	²Π	D_∞h
293	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
294	SO	Sulfur monoxide	³Σ	C_∞v
295	SO	Sulfur monoxide	¹Σ	C_∞v
296	SO⁺	sulfur monoxide cation	²Π	C_∞v
297	S₂	Sulfur diatomic	³Σ_g	D_∞h
298	SeO	Selenium monoxide	³Σ	C_∞v
299	Se₂	Selenium diatomic	³Σ_g	D_∞h
300	BeOH	beryllium monohydroxide	²A^'	C_s
301	COH	Hydroxymethylidyne
302	HCO	Formyl radical	²A^'	C_s
303	HCO^-	formyl anion	¹A^'	C_s
304	HCO⁺	Formyl cation	¹Σ	C_∞v
305	HCS⁺	Thioformyl cation	¹Σ	C_∞v
306	HNO	Nitrosyl hydride	¹A^'	C_s
307	HNO^-	Nitrosyl hydride anion	²A^"	C_s
308	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
309	NOH	Hydroxyimidogen	³A^"	C_s
310	NOH⁺	O-protonated nitric oxide	²A^'	C_s
311	HNS^-	Sulfur imide anion	²A	C_s
312	HO₂	Hydroperoxy radical	²A^"	C_s
313	HO₂^-	Hydroperoxy anion	¹A^'	C_s
314	HO₂⁺	Hydroperoxy cation	³A^"	C_s
315	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
316	SOH	Sulfur Hydroxide
317	SOH⁺	Sulfur Monoxide, protonated
318	HS₂	Thiosulfeno radical	²A^"	C_s
319	H₂CO^-	formaldehyde anion	²A^'	C_s
320	H₂CO^-	formaldehyde anion
321	H₂CO⁺	formaldehyde cation	²B₂	C_2v
322	H₂CS^-	thioformaldehyde anion
323	H₂CS^-	thioformaldehyde anion
324	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
325	H₂NO	nitroxide	²B₁	C_2v
326	H₂NO	nitroxide	²A^'	C_s
327	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
328	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
329	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
330	CH₂OH	Hydroxymethyl radical	²A	C₁
331	CH₃O⁺	Methoxy cation	³A₁	C_3v
332	NH₂OH⁺	Hydroxylamine cation
333	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
334	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
335	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
336	CH₃OH⁺	Methyl alcohol cation	²A	C₁
337	CH₃SH⁺	Methanethiol cation	²A^"	C_s
338	NH₂OH₂⁺	protonated hydroxylamine
339	NH₃OH⁺	N-protonated hydroxylamine
340	NaF⁺	sodium fluoride cation	²Σ	C_∞v
341	LiF^-	lithium fluoride anion	²Σ	C_∞v
342	LiF⁺	lithium fluoride cation	²Π	C_∞v
343	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
344	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
345	TiCl	Titanium Monochloride	⁴Σ	C_∞v
346	ZnF	Zinc monofluoride	²Σ	C_∞v
347	GaF	Gallium monofluoride	¹Σ	C_∞v
348	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
349	GaCl	Gallium monochloride	¹Σ_G	C_∞v
350	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
351	CF	Fluoromethylidyne	²Π	C_∞v
352	SiF	silicon monofluoride	²Π	C_∞v
353	SiF^-	silicon monofluoride anion	³Σ	C_∞v
354	SiCl	Clorosilylidyne	²Π	C_∞v
355	CBr	Carbon monobromide	²Π	C_∞v
356	GeF	Germanium monofluoride	²Π	C_∞v
357	GeCl	Germanium monochloride	²Π	C_∞v
358	SiBr	Silicon monobromide	²Π	C_∞v
359	SiBr⁺	Silicon monobromide cation
360	NCl	nitrogen monochloride	³Σ	C_∞v
361	NCl^-	nitrogen monochloride anion	²Π	C_∞v
362	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
363	AsF	Arsenic monofluoride	³Σ	C_∞v
364	NBr	nitrogen monobromide	³Σ^-	C_∞v
365	AsCl	Arsenic monochloride	³Σ	C_∞v
366	PBr	Phosphorus monobromide
367	FO	Oxygen monofluoride	²Π	C_∞v
368	ClO	Monochlorine monoxide	²Π	C_∞v
369	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
370	SF	Monosulfur monofluoride	²Π	C_∞v
371	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
372	SCl	sulfur monochloride	²Π	C_∞v
373	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
374	BrO	Bromine monoxide	²Π	C_∞v
375	BrO⁺	Bromine monoxide cation
376	SeF	Selenium monofluoride	²Π	C_∞v
377	SBr	Sulfur monobromide radical
378	SBr⁺	Sulfur monobromide cation
379	SeCl	Selenium monochloride	²Π	C_∞v
380	SeBr	Selenium monobromide
381	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
382	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
383	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
384	ClF⁺	clorine monofluoride cation	²Π	C_∞v
385	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
386	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
387	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
388	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
389	HCF	Fluoromethylene	³A^"	C_s
390	HCCl	Chloromethylene	³A^"	C_s
391	CHBr	bromomethylene	³A^"	C_s
392	HOCl⁺	hypochlorous acid cation
393	HOBr⁺	Hypobromous acid cation	²A^"	C_s
394	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
395	CH₂Br	bromomethyl radical	²A^'	C_s
396	CH₂Br	bromomethyl radical
397	CH₂F	fluoromethyl radical	²A	C_s
398	CH₂Cl	chloromethyl radical	²A^'	C_s
399	CH₂Cl	chloromethyl radical	²B₁	C_2v
400	CH₃F⁺	methyl fluoride cation
401	CH₃Cl⁺	Methyl chloride cation
402	CH₃Br	methyl bromide	¹A₁	C_3v
403	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
404	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
405	Li₃	Lithium trimer	²B₂	C_2v
406	C₃	carbon trimer	¹A₁	C_2v
407	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
408	C₃H₃	cyclopropenyl radical	²A^'	C_s
409	C₃H₃^-	Propargyl anion	¹A^'	C_s
410	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
411	C₃H₅	Allyl radical	²A₂	C_2v
412	C₃H₅	Allyl radical	²A^"	C_s
413	CH₃CHCH	1-propenyl radical	²A^'	C_s
414	C₃H₇	n-Propyl radical	²A^"	C₁
415	CH₃CHCH₃	Isopropyl radical	²A	C₂
416	LiCN	lithium cyanide	¹Σ	C*V LiCN
417	ZnCN	Zinc monocyanide	²Σ	C_∞v
418	ZnNC	Zinc isocyanide	²Σ	C_∞v
419	CNN	Diazocarbene
420	NCN	Cyanoimidogen	³Σ_g	D_∞h
421	N₃	azide radical	²Π_g	D_∞h
422	N₃⁺	azide cation	³Σ_g	D_∞h
423	N₃⁺	azide cation	³Σ	C_∞v
424	HCCN	cyanomethylene	³A^"	C_s
425	HCCN	cyanomethylene	³Σ	C_∞v
426	HCCN	cyanomethylene
427	HN₃	hydrogen azide	¹A^'	C_s
428	HN₃⁺	Hydrazoic acid cation
429	CH₃CN^-	acetonitrile anion	²E	C_3v
430	CH₃CN^-	acetonitrile anion	²A^'	C_s
431	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
432	HCNCH₂⁺	2H-Azirine cation
433	CH₂CHNH	vinylazine	²A^"	CS cis
434	CH₂CHNH	vinylazine	²A^"	CS trans
435	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
436	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
437	LiO₂	Lithium dioxide
438	NaO₂	Sodium superoxide
439	CCO	Dicarbon monoxide	³Σ	C_∞v
440	NCO	isocyanato radical	²Π	C_∞v
441	SCN	thiocyanato radical	²Π	C_∞v
442	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
443	N₂O^-	Nitrous oxide anion	²A^'	C_s
444	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
445	CO₂^-	Carbon dioxide anion	²A₁	C_2v
446	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
447	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
448	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
449	CS₂^-	Carbon disulfide anion	²A₁	C_2v
450	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
451	NO₂	Nitrogen dioxide	²A₁	C_2v
452	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
453	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
454	NSO	sulfinyl amidogen
455	PO₂	Phosphorus dioxide	²A₁	C_2v
456	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
457	SNO	Nitrogen oxide sulfide
458	AsO₂	Aresenic dioxide	²A₁	C_2v
459	O₃^-	Ozone anion	²B₁	C_2v
460	O₃⁺	Ozone cation	²A₁	C_2v
461	SO₂	Sulfur dioxide	¹A₁	C_2v
462	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
463	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
464	S₃^-	Sulfur trimer anion	²B₁	C_2v
465	S₃⁺	Sulfur trimer cation	²B₂	C_2v
466	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
467	HCCO	ketenyl radical	²Π	C_∞v
468	HCCO	ketenyl radical	²A^"	C_s
469	HCOO	formate neutral radical	²A^'	C_s
470	HOCO	Hydrocarboxyl radical	¹A^'	cis
471	HOCO	Hydrocarboxyl radical	¹A^'	trans
472	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
473	HNO₂⁺	nitrous acid cation	²A^'	C_s
474	CH₂CO⁺	Ketene cation	²B₁	C_2v
475	CH₂CHO	Vinyloxy radical	²A^"	C_s
476	CH₂OOH	CH2OOH radical	²A	C₁
477	CH₃OO	methylperoxy radical	²A^"	C_s
478	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
479	C₂H₄O⁺	ethylene oxide cation
480	CH₃CHO⁺	acetaldehyde cation
481	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
482	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
483	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
484	CH₃CH₂O	Ethoxy radical	²A^'	C_s
485	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
486	CH₃OCH₂	methoxymethyl radical	²A	C₁
487	CH₃CH₂SH	ethanethiol	¹A^'	C_s
488	CH₃SCH₃⁺	dimethyl sulfide cation
489	CuF₂	Copper difluoride	²Π_g	D_∞h
490	FCO	Carbonyl fluoride	²A^'	C_s
491	ClCO	carbonyl monochloride	²A^'	C_s
492	BF₂	Boron difluoride radical	²A₁	C_2v
493	BrNO	Nitrosyl bromide	¹A^'	C_s
494	CF₂	Difluoromethylene	³B₁	C_2v
495	CF₂^-	Difluoromethylene anion	²B₁	C_2v
496	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
497	SiF₂	Silicon difluoride	¹A₁	C_2v
498	SiF₂	Silicon difluoride	³B₁	C_2v
499	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
500	CCl₂^-	dichloromethylene anion	²B₁	C_2v
501	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
502	CBr₂	dibromomethylene	³B₁	C_2v
503	FOO⁺	Fluorine dioxide cation
504	ClOO⁺	chloroperoxy cation	¹A^'	C_s
505	OClO	Chlorine dioxide	²B₁	D_∞h
506	OClO^-	Chlorine dioxide anion	¹A^'	C_s
507	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
508	ClSO	Sulfur chloride oxide	²A^"	C_s
509	BrOO	Bromine dioxide
510	OBrO	Bromine dioxide radical	²B₁	C_2v
511	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
512	PF₂	Phosphorus difluoride
513	SF₂^-	sulfur difluoride anion	²A^'	C_s
514	SF₂^-	sulfur difluoride anion	²Π	D_∞h
515	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
516	BrOCl	Bromine hypochlorite	¹A^'	C_s
517	BrOBr	Bromine oxide	¹A₁	C_2v
518	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
519	HFCO⁺	formyl fluoride cation	²A^'	C_s
520	COHCl	Formyl chloride	¹A^'	C_s
521	COHBr	Formyl bromide	¹A^'	C_s
522	CHCl₂	dichloromethyl radical	²B₁	C_2v
523	CHCl₂	dichloromethyl radical	²A^'	C_s
524	CHF₂	difluoromethyl radical	²A	C_s
525	CHFCl	Chlorofluoromethyl radical
526	CHBr₂	dibromomethyl radical
527	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
528	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
529	CHClCH₃	1-chloroethyl radical	²A	C₁
530	C₄	Carbon tetramer	³Σ_g	D_∞h
531	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
532	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
533	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
534	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
535	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
536	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
537	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
538	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
539	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
540	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
541	HSO₃	Hydroxysulfonyl radical	²A	C₁
542	C₂H₂O₂	Ethanedial	¹A_g	C_2h
543	CH₃COCH₂	Acetonyl radical	²A^"	C_s
544	CH₃COCH₃^-	acetone anion	²A^'	C_s
545	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
546	BrONO	Bromine nitrite	¹A^'	CS trans
547	CF₂O⁺	Carbonic difluoride cation
548	COFCl	Carbonic chloride fluoride	¹A^'	C_s
549	COBr₂	Carbonic dibromide	¹A₁	C_2v
550	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
551	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
552	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
553	BF₃⁺	boron trifluoride cation	²B₂	C_2v
554	BF₃⁺	boron trifluoride cation
555	BCl₃⁺	Boron Trichloride cation
556	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
557	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
558	CF₂Cl	difluorochloromethyl radical
559	SiF₃	Silicon trifluoride radical	²A₁	C_3v
560	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
561	CFCl₂	dichlorofluoromethyl radical
562	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
563	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
564	CBr₃	tribromomethyl radical
565	NF₃	Nitrogen trifluoride	¹A₁	C_3v
566	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
567	NF₃^-	Nitrogen trifluoride anion	²A	C_s
568	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
569	SF₃	Sulfur trifluoride	²A^'	C_s
570	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
571	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
572	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
573	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
574	C₅H₇	cyclopentenyl radical	²A₂	C_2v
575	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
576	C₄H₄N	pyrrolide radical	²A₂	C_2v
577	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
578	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
579	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
580	SF₅	Sulfur pentafluoride	²A₁	C_4v
581	C₆H₅CH₂	benzyl radical	²B₁	C_s
582	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
583	C₆H₁₃N	cyclohexanamine	¹A	C₁
584	C₆H₅O	phenoxy radical	²B₁	C_2v
585	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
586	C₆H₁₂O₂	Methyl pivalate	¹A	C₁
587	C₆H₁₂O₂	Hexanoic acid	¹A₁	C_s

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He	Helium atom	he
10	He^-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li^-	Lithium atom anion	li-
13	Na⁺	Sodium atom cation	na+
14	K	Potassium atom	k
15	K^-	Potassium atom anion	k-
16	K⁺	Potassium atom cation	k+
17	Cu	Copper atom	cu
18	Cu^-	Copper atom anion	cu-
19	Cu⁺	Copper atom cation	cu+
20	LiH	Lithium Hydride	lih
21	LiH^-	lithium hydride anion	lih-
22	NaH	sodium hydride	nah
23	NaH^-	sodium hydride anion	nah-
24	KH	Potassium hydride	kh
25	KH⁺	Potassium hydrogen cation	kh+
26	CuH	Copper monohydride	cuh
27	Be	Beryllium atom	be
28	Be^-	Beryllium atom anion	be-
29	Mg	Magnesium atom	mg
30	Ca	Calcium atom	ca
31	Ca^-	Calcium atom anion	ca-
32	Ca⁺	Calcium atom cation	ca+
33	Zn	Zinc atom	zn
34	Zn^-	Zinc atom anion	zn-
35	Zn⁺	Zinc atom cation	zn+
36	BeH^-	berylium monohydride anion	beh-
37	BeH⁺	beryllium monohydride cation	beh+
38	MgH^-	magnesium monohydride anion	mgh-
39	MgH⁺	magnesium monohydride cation	mgh+
40	CaH	Calcium monohydride	cah
41	CaH⁺	Calcium monohydride cation	cah+
42	ZnH	Zinc monohydride	znh
43	ZnH⁺	Zinc, protonated	znh+
44	BeH₂	beryllium dihydride	beh2
45	MgH₂	magnesium dihydride	mgh2
46	CaH₂	Calcium Hydride	cah2
47	ZnH₂	Zinc hydride	znh2
48	B^-	Boron atom anion	b-
49	BH	Boron monohydride	bh
50	BH^-	boron monohydride anion	bh-
51	BH⁺	boron monohydride cation	bh+
52	AlH	aluminum monohydride	alh
53	AlH^-	aluminum monohydride anion	alh-
54	AlH⁺	aluminum monohydride cation	alh+
55	ScH	Scandium monohydride	sch
56	GaH	Gallium monohydride	gah
57	BH₂	boron dihydride	bh2
58	BH₂⁺	Boron dihydride cation	bh2+
59	AlH₂	aluminum dihydride	alh2
60	BH₃	boron trihydride	bh3
61	BH₃^-	boron trihydride anion	bh3-
62	AlH₃	aluminum trihydride	alh3
63	ScH₃	Scandium trihydride	sch3
64	GaH₃	Gallium trihydride	gah3
65	AlH₄^-	Aluminum tetrahydride anion	alh4-
66	C^-	Carbon atom anion	c-
67	Ti	Titanium atom	ti
68	Ti^-	Titanium atom anion	ti-
69	Ti⁺	Titanium atom cation	ti+
70	Sn	Tin atom	sn
71	Sn⁺	Tin cation	sn+
72	CH^-	methylidyne anion	ch-
73	CH⁺	Methylidyne cation	ch+
74	SiH⁺	silicon monohydride cation	sih+
75	GeH⁺	Germaniun monohyrdide cation	geh+
76	SiH₂	silicon dihydride	sih2
77	CD₄	methane-d4	cd4
78	CH₂D₂	methane-d2	ch2d2
79	CH₃D	methane-d	ch3d
80	CH₄	Methane	ch4
81	CH₄^-	Methane anion	ch4-
82	CH₄⁺	Methane cation	ch4+
83	CHD₃	methane-d3	chd3
84	SiH₂D₂	silane-d2	sih2d2
85	SiH₄	Silane	sih4
86	SiH₄⁺	Silane cation	sih4+
87	GeH₄	Germane	geh4
88	SnH₄	Stannane	snh4
89	SiH₅⁺	Silane, protonated	sih5+
90	Sb	Antimony atom	sb
91	NH	Imidogen	nh
92	NH^-	Imidogen anion	nh-
93	NH⁺	imidogen cation	nh+
94	PH^-	phosphorus monohydride anion	ph-
95	PH⁺	phosphorus monohydride cation	ph+
96	SbH	Antimony monohydride	sbh
97	ND₂	Amidogen-d2	nd2
98	NH₂^-	amino anion	nh2-
99	PH₂	Phosphino radical	ph2
100	AsH₂⁺	Arsenic dihydride cation	ash2+
101	ND₃	Ammonia-d3	nd3
102	NH₃	Ammonia	nh3
103	PH₃	Phosphine	ph3
104	AsH₃	Arsine	ash3
105	SbH₃	Stibine	sbh3
106	AsH₄⁺	Arsonium	ash4+
107	NH₄⁺	ammonium cation	nh4+
108	PH₄⁺	phosphonium cation	ph4+
109	Cr	Chromium atom	cr
110	Te	Tellurium atom	te
111	Te⁺	Tellurium atom cation	te+
112	DO	Hydroxyl-d	od
113	OH^-	hydroxide anion	oh-
114	DS	Mercapto-d	ds
115	HSe^-	selenium monohydride anion	hse-
116	TeH	Telluryl radical	teh
117	D₂O	Deuterium oxide	d2o
118	H₂O	Water	h2o
119	HDO	Water-d1	hdo
120	D₂S	Hydrogen sulfide-d2	d2s
121	H₂S	Hydrogen sulfide	h2s
122	H₂Te	Hydrogen Telluride	h2te
123	H₃O⁺	hydronium cation	h3o+
124	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
125	Mn	Manganese atom	mn
126	I	Iodine atom	iodine
127	I^-	Iodine atom anion	iodine-
128	I⁺	Iodine atom cation	iodine+
129	DF	Hydrofluoric acid-d	df
130	HF	Hydrogen fluoride	hf
131	DCl	Hydrochloric acid-d	dcl
132	HCl	Hydrogen chloride	hcl
133	HI	Hydrogen iodide	hi
134	HI⁺	Hydrogen iodide cation	hi+
135	H₂F⁺	dihydrogen fluoride cation	h2f+
136	H₂Br⁺	protonated hydrogen bromide	h2br+
137	H₂I⁺	Iodonium	h2i+
138	Ne	Neon atom	ne
139	Ar	Argon atom	ar
140	Fe	Iron atom	fe
141	Kr	Krypton atom	kr
142	Xe	Xenon atom	xe
143	HeLi⁺	Helium Lithium cation	heli+
144	NeH⁺	neon hydrogen cation	neh+
145	KrH⁺	Protonated Krypton	krh+
146	XeH⁺	Xenon, protonated	xeh+
147	H₂Ar	H2 Ar dimer	h2ar
148	Co	Cobalt atom	cobalt
149	Ni	Nickel atom	ni
150	Li₂	Lithium diatomic	li2
151	Li₂^-	lithium diatomic anion	li2-
152	Li₂⁺	lithium diatomic cation	li2+
153	NaLi	lithium sodium	lina
154	NaLi^-	lithium sodium anion	lina-
155	NaLi⁺	lithium sodium cation	lina+
156	LiK	Lithium Potassium	lik
157	Na₂	Sodium diatomic	na2
158	NaK	Sodium Potassium	nak
159	NaK⁺	Sodium Potassium diatomic cation	nak+
160	K₂	Potassium diatomic	k2
161	Cu₂	Copper diatomic	cu2
162	Be₂	Beryllium diatomic	be2
163	Be₂⁺	Beryllium diatomic cation	be2+
164	BeMg	Beryllium Magnesium	bemg
165	Mg₂	Magnesium diatomic	mg2
166	Mg₂^-	magnesium diatomic anion	mg2-
167	Mg₂⁺	magnesium diatomic cation	mg2+
168	Ca₂	Calcium diatomic	ca2
169	LiAl	Lithium Aluminum	lial
170	NaAl	Sodium aluminum	naal
171	B₂^-	Boron diatomic anion	b2-
172	Al₂	Aluminum diatomic	al2
173	Al₂^-	aluminum diatomic anion	al2-
174	Al₂⁺	aluminum diatomic cation	al2+
175	LiBH₄	Lithium borohydride	libh4
176	B₂H₄	Diborane(4) D2d	b2h4
177	HBHHBH	Diborane(4) C2V	hbhhbh
178	B₂H₆	Diborane	b2h6
179	Al₂H₆	dialane	al2h6
180	Ga₂H₆	digallane	ga2h6
181	CaC	Calcium monocarbide	cac
182	BC⁺	boron monocarbide cation	bc+
183	C₂	Carbon diatomic	c2
184	C₂^-	carbon diatomic anion	c2-
185	Si₂^-	silcon diatomic anion	si2-
186	Si₂⁺	silcon diatomic cation	si2+
187	C₂H^-	Ethynyl anion	c2h-
188	C₂H⁺	Ethynyl cation	c2h+
189	ZnCH₂	Zinc methylene	znch2
190	C₂H₂	Acetylene	c2h2
191	Si₂H₂	disilyne	si2h2
192	CuCH₃	monomethyl copper	cuch3
193	ZnCH₃	Zinc monomethyl	znch3
194	CH₂BH	methyleneborane	ch2bh
195	C₂H₃^-	vinyl anion	c2h3-
196	C₂H₄	Ethylene	c2h4
197	CH₂SiH₂	silaethylene	ch2sih2
198	Si₂H₄	Disilene	si2h4
199	CH₃BH₂	methylborane	ch3bh2
200	C₂H₅^-	Ethyl anion	c2h5-
201	C₂H₅⁺	Ethyl cation	c2h5+
202	C₂H₆	Ethane	c2h6
203	CH₃SiH₃	methyl silane	ch3sih3
204	Si₂H₆	disilane	si2h6
205	GeH₃CH₃	methyl germane	geh3ch3
206	C₂H₇⁺	Ethane, protonated	c2h7+
207	BeN⁺	Beryllium mononitride cation	ben+
208	BN^-	boron nitride anion	bn-
209	AlN^-	aluminum mononitride anion	aln-
210	AlN⁺	aluminum mononitride cation	aln+
211	BN⁺	boron nitride cation	bn+
212	AlN	Aluminum nitride	aln
213	CN^-	cyanide anion	cn-
214	CN⁺	Cyano cation	cn+
215	CP	Carbon monophosphide	cp
216	CP^-	carbon monophosphide anion	cp-
217	CP⁺	carbon monophosphide cation	cp+
218	SiN	Silicon nitride	sin
219	SiN^-	silicon mononitride anion	sin-
220	SiN⁺	silicon mononitride cation	sin+
221	TiN	Titanium mononitride	tin
222	N₂	Nitrogen diatomic	n2
223	PN	Phosphorus mononitride	pn
224	PN^-	phosphorus nitride anion	pn-
225	PN⁺	phosphorus nitride cation	pn+
226	P₂	Phosphorus diatomic	p2
227	P₂^-	phosphorus diatomic anion	p2-
228	P₂⁺	phosphorus diatomic cation	p2+
229	AsN	Arsenic mononitride	asn
230	AsP	Arsenic monophosphide	asp
231	SbN	Antimony nitride	sbn
232	As₂	Arsenic diatomic	as2
233	HNC	hydrogen isocyanide	hnc
234	HCN	Hydrogen cyanide	hcn
235	HCN^-	Hydrogen cyanide anion	hcn-
236	HCP	Phosphaethyne	hcp
237	NNH	Dinitrogen monohydride	nnh
238	NNH⁺	Dinitrogen monohydride cation	nnh+
239	HPO	Hydrogen phosphorus oxide	hpo
240	LiNH₂	lithium amide	linh2
241	HBNH	Boranimine	hbnh
242	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
243	HCNH⁺	N-protonated HCN	hcnh+
244	H₂NN	Isodiazene	h2nn
245	N₂H₂	(E)-diazene	n2h2
246	N₂H₂	(Z)-Diazene	n2h2z
247	CH₂NH	Methanimine	ch3n
248	CHNH₂	aminomethylene	chnh2
249	CH₂PH	Phosphaethene	ch3p
250	BH₂NH₂	Boranamine	bh2nh2
251	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
252	N₂H₄	Hydrazine	n2h4
253	P₂H₄	Diphosphine	p2h4
254	CH₃NH₂	methyl amine	ch3nh2
255	CH₃PH₂	Methyl phosphine	ch3ph2
256	SiH₃NH₂	Silane, amino	sih3nh2
257	N₂H₅⁺	protonated hydrazine	n2h5+
258	BH₃PH₃	borane phosphine	bh3ph3
259	BH₃NH₃	borane ammonia	bh3nh3
260	CH₃NH₃⁺	protonated methylamine	ch3nh3+
261	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
262	NH₃NH₃	Ammonia Dimer	nh3nh3
263	N₂H₇⁺	ammonia ammonium dimer	n2h7+
264	NaO^-	sodium oxide anion	nao-
265	NaO⁺	sodium oxide cation	nao+
266	KO	Potassium monoxide	ko
267	KO⁺	Potassium monoxide cation	ko+
268	CuO	Copper Monoxide	cuo
269	BeO	beryllium oxide	beo
270	BeS	beryllium sulfide	bes
271	MgO	magnesium oxide	mgo
272	MgO^-	magnesium oxide anion	mgo-
273	MgO⁺	magnesium oxide cation	mgo+
274	CaO	Calcium monoxide	cao
275	MgS	magnesium sulfide	mgs
276	MgS^-	magnesium sulfide anion	mgs-
277	MgS⁺	magnesium sulfide cation	mgs+
278	CaS	Calcium sulfide	cas
279	ZnO	zinc monoxide	zno
280	ZnS	Zinc sulfide	zns
281	BeS^-	Beryllium monosulfide anion	bes-
282	BeS⁺	Beryllium monosulfide cation	bes+
283	AlO	Aluminum monoxide	alo
284	AlO^-	Aluminum monoxide anion	alo-
285	AlO⁺	aluminum monoxide cation	alo+
286	BS	boron sulfide	bs
287	BS^-	boron monosulfide anion	bs-
288	BS⁺	boron monosulfide cation	bs+
289	AlS	Aluminum sulfide	als
290	AlS^-	aluminum monosulfide anion	als-
291	AlS⁺	aluminum monosulfide cation	als+
292	BO⁺	boron monoxide cation	bo+
293	CO	Carbon monoxide	co
294	CS	carbon monosulfide	cs
295	CS^-	carbon monosulfide anion	cs-
296	CS⁺	carbon monosulfide cation	cs+
297	SiO	Silicon monoxide	sio
298	SiO^-	silicon monoxide anion	sio-
299	SiO⁺	silicon monoxide cation	sio+
300	SiS	silicon monosulfide	sis
301	SiS^-	silicon monosulfide anion	sis-
302	SiS⁺	silicon monosulfide cation	sis+
303	CSe	Carbon monoselenide	cse
304	CSe^-	Carbon monoselenide anion	cse-
305	CSe⁺	Carbon monoselenide cation	cse+
306	GeO	Germanium monoxide	geo
307	GeS	Germanium monosulfide	ges
308	SiSe	Silicon Monoselenide	sise
309	GeSe	Germanium monoselenide	gese
310	NO⁺	nitric oxide cation	no+
311	NS⁺	nitrogen sulfide cation	ns+
312	PO^-	phosphorus monoxide anion	po-
313	PO⁺	phosphorus monoxide cation	po+
314	PS^-	phosphorus monosulfide anion	ps-
315	PS⁺	phosphorus monosulfide cation	ps+
316	O₂^--	dioxygen dianion	o2--
317	SO^-	sulfur monoxide anion	so-
318	S₂^-	sulfur diatomic anion	s2-
319	S₂⁺	sulfur diatomic cation	s2+
320	SeO^-	selenium monoxide anion	seo-
321	SeO⁺	selenium monoxide cation	seo+
322	SeS	Selenium monosulfide	ses
323	SeS^-	selenium monosulfide anion	ses-
324	SeS⁺	selenium monosulfide cation	ses+
325	TeO	Tellurium monoxide	teo
326	Se₂^-	selenium diatomic anion	se2-
327	Se₂⁺	selenium diatomic cation	se2+
328	Te₂	Tellurium diatomic	te2
329	LiOH	lithium hydroxide	lioh
330	NaOH	sodium hydroxide	naoh
331	KOH	Potassium hydroxide	koh
332	MgOH	magnesium hydroxide	mgoh
333	CaOH	Calcium monohydroxide	caoh
334	HBO	Boron hydride oxide	hbo
335	HBS	hydrogen boron sulfide	hbs
336	COH⁺	Carbon Monoxide, protonated	coh+
337	HCS	Thioformyl radical	hcs
338	HCS^-	Thioformyl anion	hcs-
339	HNS	Sulfur imide	hns
340	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
341	H₂CO	Formaldehyde	h2co
342	HOCH	hydroxycarbene	hoch
343	H₂CS	Thioformaldehyde	h2cs
344	H₂CSe	Selenoformaldehyde	h2cse
345	H₂O₂	Hydrogen peroxide	h2o2
346	H₂OO	water oxide	h2oo
347	HOSH	hydrogen thioperoxide	hosh
348	H₂S₂	Disulfane	h2s2
349	H₂Se₂	hydrogen diselenide	h2se2
350	CH₂OH⁺	hydroxymethyl cation	ch2oh+
351	CH₃O	Methoxy radical	ch3o
352	CH₃O^-	methoxy anion	ch3o-
353	CH₃S	thiomethoxy	ch3s
354	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
355	NH₂OH	hydroxylamine	nh2oh
356	NH₃O	Ammonia Oxide	nh3o
357	H₂POH	Phosphinous acid	h2poh
358	H₃PO	Phosphine oxide	h3po
359	NH₂SH	Thiohydroxylamine	nh2sh
360	NH₃S	sulfidoazane	nh3s
361	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
362	CH₃OH	Methyl alcohol	ch3oh
363	CH₃SH	Methanethiol	ch3sh
364	SiH₃OH	silanol	sih3oh
365	CH₃SeH	Methane selenol	ch3seh
366	H₂OH₂O	water dimer	h2oh2o
367	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
368	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
369	H₂ONH₃	Water Ammonia Dimer	h2onh3
370	H₅O₂⁺	Dihydroxonium ion	h5o2+
371	LiF	lithium fluoride	lif
372	LiCl	lithium chloride	licl
373	LiCl^-	lithium chloride anion	licl-
374	LiCl⁺	lithium chloride cation	licl+
375	NaF	sodium fluoride	naf
376	NaF^-	sodium fluoride anion	naf-
377	KF	Potassium Fluoride	kf
378	NaCl	Sodium Chloride	nacl
379	NaCl^-	sodium chloride anion	nacl-
380	NaCl⁺	sodium chloride cation	nacl+
381	KCl	Potassium Chloride	kcl
382	CuF	Copper monofluoride	cuf
383	LiBr	Lithium Bromide	libr
384	LiBr^-	lithium bromide anion	libr-
385	LiBr⁺	lithium bromide cation	libr+
386	CuCl	Copper monochloride	cucl
387	NaBr	Sodium Bromide	nabr
388	NaBr^-	sodium bromide anion	nabr-
389	NaBr⁺	sodium bromide cation	nabr+
390	KBr	Potassium Bromide	kbr
391	LiI	Lithium Iodide	lii
392	NaI	Sodium Iodide	nai
393	KI	Potassium Iodide	ki
394	BeF	Beryllium monofluoride	bef
395	BeCl	beryllium monochloride	becl
396	MgF	Magnesium monofluoride	mgf
397	MgF^-	magnesium fluoride anion	mgf-
398	MgF⁺	magnesium fluoride cation	mgf+
399	CaF	Calcium monofluoride	caf
400	MgCl	magnesium monochloride	mgcl
401	MgCl^-	magnesium monochloride anion	mgcl-
402	MgCl⁺	magnesium monochloride cation	mgcl+
403	CaCl	calcium monochloride	cacl
404	ZnF^-	Zinc monofluoride anion	znf-
405	ZnF⁺	Zinc monofluoride cation	znf+
406	ZnCl	Zinc monochloride	zncl
407	CaBr	Calcium monobromide	cabr
408	BeCl^-	beryllium monochloride anion	becl-
409	BeCl⁺	beryllium monochloride cation	becl+
410	BF	Boron monofluoride	bf
411	BF^-	Boron monofluoride anion	bf-
412	BF⁺	Boron monofluoride cation	bf+
413	AlF	Aluminum monofluoride	alf
414	AlF^-	Aluminum monofluoride anion	alf-
415	AlF⁺	Aluminum monofluoride cation	alf+
416	BCl	boron monochloride	bcl
417	BCl^-	boron monochloride anion	bcl-
418	BCl⁺	boron monochloride cation	bcl+
419	AlCl	Aluminum monochloride	alcl
420	AlCl^-	aluminum monochloride anion	alcl-
421	AlCl⁺	aluminum monochloride cation	alcl+
422	ScF	Scandium monofluoride	scf
423	BBr	Boron monobromide	bbr
424	AlBr	Aluminum monobromide	albr
425	AlI	Aluminum monoiodide	ali
426	GaBr	Gallium monobromide	gabr
427	CF^-	carbon monofluoride anion	cf-
428	CF⁺	carbon monofluoride cation	cf+
429	CCl	carbon monochloride	ccl
430	CCl^-	carbon monochloride anion	ccl-
431	CCl⁺	carbon monochloride cation	ccl+
432	SiF⁺	silicon monofluoride cation	sif+
433	SiCl^-	silicon monochloride anion	sicl-
434	SiCl⁺	silicon monochloride cation	sicl+
435	GeF⁺	Germanium monofluoride cation	gef+
436	GeCl⁺	Germanium monochloride cation	gecl+
437	NF	nitrogen fluoride	nf
438	NF^-	nitrogen monofluorine anion	nf-
439	NF⁺	nitrogen monofluoirde cation	nf+
440	PF	phosphorus monofluoride	pf
441	PF^-	phosphorus monofluoride anion	pf-
442	PF⁺	phosphorus monofluoride cation	pf+
443	PCl	phosphorus chloride	pcl
444	PCl^-	phosphorus monochloride anion	pcl-
445	PCl⁺	phosphorus monochloride cation	pcl+
446	SbF	Antimony monofluoride	sbf
447	SbCl	Antimony monochloride	sbcl
448	FO^-	flourine oxide anion	fo-
449	FO⁺	fluorine monoxide cation	fo+
450	ClO^-	chlorine monoxide anion	clo-
451	SF^-	sulfur monofluoride anion	sf-
452	SCl^-	sulfur monochloride anion	scl-
453	BrO^-	Bromine monoxide anion	bro-
454	IO	Iodine monoxide	io
455	BrCl	Bromine monochloride	brcl
456	F₂	Fluorine diatomic	f2
457	ClF^-	clorine monofluoride anion	clf-
458	Cl₂	Chlorine diatomic	cl2
459	BrF	Bromine monofluoride	brf
460	BrF^-	bromine fluoride anion	brf-
461	BrF⁺	bromine fluoride cation	brf+
462	BrCl^-	bromine chloride anion	brcl-
463	BrCl⁺	bromine chloride cation	brcl+
464	IF	Iodine monofluoride	if
465	Br₂	Bromine diatomic	br2
466	ICl	Iodine monochloride	icl
467	IBr	Iodine monobromide	ibr
468	I₂	Iodine diatomic	i2
469	I₂⁺	Iodine diatomic cation	i2+
470	HCF	Fluoromethylene	hcf
471	HCCl	Chloromethylene	hccl
472	HSiF	fluorosilylene	hsif
473	HSiCl	Chlorosilylene	hsicl
474	HSiBr	monobromosilylene	hsibr
475	CHBr	bromomethylene	chbr
476	HOF	Hypofluorous acid	hfo
477	DOCl	Hypochlorous acid-d	docl
478	HOCl	hypochlorous acid	hocl
479	HOBr	Hypobromous acid	hobr
480	HOI	Hypoiodous acid	hoi
481	F₂H⁺	Fluorine, protonated	f2h+
482	FHF	Hydrogen difluoride	fhf
483	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
484	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
485	Cl₂H⁺	Chlorine, protonated	cl2h+
486	CH₂F⁺	fluoromethyl cation	ch2f+
487	CH₂Cl⁺	chloromethyl cation	ch2cl+
488	NH₂F	monofluoroamine	nh2f
489	NH₂Cl	chloramine	nh2cl
490	H₂F₂	Hydrogen fluoride dimer	h2f2
491	CD₃F	methylfluoride-d3	cd3f
492	CH₃F	Methyl fluoride	ch3f
493	CD₃Cl	methyl chloride d3	cd3cl
494	CH₃Cl	Methyl chloride	ch3cl
495	SiH₃F	monofluorosilane	sih3f
496	SiH₃Cl	chlorosilane	sih3cl
497	GeH₃F	monofluorogermane	geh3f
498	GeH₃Cl	monochlorogermane	geh3cl
499	SiH₃Br	bromosilane	sih3br
500	CH₃I	methyl iodide	ch3i
501	SiH₃I	Silyl Iodide	sih3i
502	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
503	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
504	NH₄Cl	Ammonium chloride	nh4cl
505	LiNe⁺	Lithium Neon cation	line+
506	Ne₂	Neon diatomic	ne2
507	Ar₂	Argon diatomic	ar2
508	Li₃⁺	Lithium trimer cation	li3+
509	SiC₂	Silicon dicarbide	sic2
510	C₃H₃	Propargyl radical	propargyl
511	C₃H₃⁺	cyclopropenyl cation	cpr+
512	C₃H₄	cyclopropene	cprop
513	CH₂CCH₂	allene	allene
514	CH₃CCH	propyne	propyne
515	C₃H₅⁺	Allyl cation	allyl+
516	Zn(CH₃)₂	dimethyl zinc	dmz
517	C₃H₆	Cyclopropane	c3h6
518	CH₂CHCH₃	Propene	propene
519	C₃H₇⁺	cyclopropane, protonated	c3h7+
520	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
521	C₃H₈	Propane	propane
522	SiH₂(CH₃)₂	dimethylsilane	dms
523	Si₃H₈	trisilane	si3h8
524	NaCN	Sodium Cyanide	nacn
525	KCN	Potassium cyanide	kcn
526	CuCN	Copper cyanide	cucn
527	AlCN	Aluminum monocyanide	alcn
528	AlNC	Aluminum isocyanide	alnc
529	CN₂	3H-Diazirin-3-ylidene	cn2
530	N₃^-	azide anion	n3-
531	HCNN	diazomethyl radical	hcnn
532	HNCNH	diiminomethane	hncnh
533	CH₂N₂	diazirine	ch2n2
534	CH₂NN	diazomethane	ch2nn
535	NH₂CN	cyanamide	cyanamide
536	HNNNH⁺	1,2-Triazadienium	n2h3+
537	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
538	CH₃CN	Acetonitrile	ch3cn
539	CH₃NC	methyl isocyanide	ch3nc
540	CHNCH₂	2H-Azirine	c157164
541	CHNHCH	1H-Azirine	chnhch
542	H₂CCNH	Ethenimine	ch2cnh
543	H₂CNCH	methyleneaminomethylene	ch2nch
544	HCCNH₂	Ethynamine	hccnh2
545	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
546	NCNH₃⁺	Cyanamide, protonated	ncnh3+
547	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
548	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
549	NHCHNH₂	aminomethanimine	cn2h4
550	C₂H₅N	Aziridine	c2h5n
551	CH₂CHNH₂	aminoethene	aminoethene
552	CH₂NCH₃	N-methylmethanimine	nmm
553	CH₃CHNH	ethanimine	ethanimine
554	NH₂BHNH₂	diaminoborane	nh2bhnh2
555	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
556	C₂H₆N⁺	aziridine, protonated	c2h6n+
557	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
558	CH₃CH₂NH₂	Ethylamine	etam
559	CH₃NHCH₃	Dimethylamine	ch3nhch3
560	CH₃PHCH₃	dimethylphosphine	ch3phch3
561	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
562	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
563	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
564	Li₂O	dilithium oxide	li2o
565	Li₂S	dilithium sulfide	li2s
566	Na₂O	disodium monoxide	na2o
567	Na₂S	Sodium sulfide	na2s
568	CNO^-	fulminate	cno-
569	NCO^-	cyanate	nco-
570	SCN^-	thiocyanide anion	scn-
571	BO₂	Boron dioxide	bo2
572	BO₂^-	Boron dioxide anion	bo2-
573	N₂O	Nitrous oxide	n2o
574	NNS	Nitrogen sulfide	nns
575	PPO	Phosphorus oxide phosphide	ppo
576	CO₂	Carbon dioxide	co2
577	OCS	Carbonyl sulfide	cos
578	SiO₂	silicon dioxide	sio2
579	CS₂	Carbon disulfide	cs2
580	TiO₂	Titanium dioxide	tio2
581	SiS₂	Silicon disulfide	sis2
582	GeO₂	Germanium dioxide	geo2
583	OCSe	Carbonyl selenide	ocse
584	SCSe	Carbon sulfide selenide	scse
585	GeS₂	Germanium disulfide	ges2
586	CSe₂	Carbon diselenide	cse2
587	SCTe	Carbon sulfide Telluride	scte
588	PO₂^-	Phosphorus dioxide anion	po2-
589	O₃	Ozone	o3
590	SSO	Disulfur monoxide	sso
591	S₃	Sulfur trimer	s3
592	SeO₂	Selenium dioxide	seo2
593	TeO₂	Tellurium Dioxide	teo2
594	CS₂H⁺	Carbon disulfide, protonated	cs2h+
595	HCNO	fulminic acid	hcno
596	HNCO	Isocyanic acid	hnco
597	HOCN	cyanic acid	hocn
598	HNCS	Isothiocyanic acid	hncs
599	HSCN	thiocyanic acid	hscn
600	HCO₂^-	formate anion	hco2-
601	HNNO	nitrosoazane	hnno
602	HNNO⁺	Nitrous oxide, N-protonated	hnno+
603	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
604	HNO₂	Nitrous acid	hno2
605	O₃H⁺	protonated ozone	o3h+
606	SO₂H⁺	protonated sulfur dioxide	so2h+
607	C₂H₂O	Oxirene	oxirene
608	CH₂CO	Ketene	ch2co
609	HCCOH	ethynol	hccoh
610	CH₂CS	Thioketene	ch2cs
611	Be(OH)₂	Beryllium hydroxide	beo2h2
612	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
613	NH₂NO	Nitrosamide	nh2no
614	CH₂O₂	Dioxirane	diox
615	H₂COO	Dioxymethyl radical	h2coo
616	H₂COO⁺	dioxymethyl cation	h2coo+
617	HCOOH	Formic acid	ch2o2
618	H₂O₃	Hydrogen trioxide	h2o3
619	HSSSH	trisulfane	hsssh
620	NaOCH₃	Sodium methoxide	naoch3
621	CH₂BOH	hydroxy(methylene)borane	ch2boh
622	BH₃CO	Borane carbonyl	bh3co
623	CH₃BO	Borane, methyloxo-	ch3bo
624	CH₂COH⁺	ketene, protonated	ch2coh+
625	CH₃CO	Acetyl radical	ch3co
626	CH₃CO^-	Acetyl anion	ch3co-
627	CH₃CO⁺	acetyl cation	ch3co+
628	CH₂NOH	formaldoxime	ch2noh
629	CH₃NO	nitrosomethane	ch3no
630	CHONH₂	formamide	formamide
631	CNOH₃	1,2-oxaziridine	cnoh3
632	HOCHNH	hydroxymethylimine	hochnh
633	CHSNH₂	thioformamide	chsnh2
634	NHCHSH	Methanimidothioic acid	nhchsh
635	CH₃OO^-	methylperoxy anion	ch3oo-
636	C₂H₄O	Ethylene oxide	c2h4o
637	CH₂CHOH	ethenol	ch2choh
638	CH₃CHO	Acetaldehyde	ch3cho
639	C₂H₄S	Thiirane	thiirane
640	CH₂CHSH	Ethenethiol	ch2chsh
641	CH₃CHS	Thioacetaldehyde	ch3chs
642	H₂CONH₂⁺	protonated formamide	h2conh2+
643	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
644	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
645	CH₂(OH)₂	methanediol	ch2o2h2
646	CH₃OOH	Methyl peroxide	ch3ooh
647	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
648	HSCH₂SH	Methanedithiol	ch4s2
649	H₂OH₂CO	water formaldehyde dimer	h2oh2co
650	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
651	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
652	NH₂CH₂OH	aminomethanol	nh2ch2oh
653	CH₃CH₂OH	Ethanol	etoh
654	CH₃OCH₃	Dimethyl ether	meome
655	CH₃SCH₃	Dimethyl sulfide	mesme
656	CH₃SeCH₃	dimethylselenide	dmse
657	CH₃OHH₂O	methanol water dimer	ch3ohh2o
658	H₂OCH₃OH	water methanol dimer	h2och3oh
659	ZnF₂	Zinc difluoride	znf2
660	CNF	iso cyanogen fluoride	cnf
661	FCN	Cyanogen fluoride	fcn
662	ClCN	chlorocyanogen	clcn
663	BrCN	Cyanogen bromide	brcn
664	ICN	Cyanogen iodide	icn
665	FBO	Boron monofluoride monoxide	fbo
666	BeF₂	Beryllium fluoride	bef2
667	MgF₂	Magnesium fluoride	mgf2
668	BeCl₂	Beryllium chloride	becl2
669	MgCl₂	Magnesium dichloride	mgcl2
670	CaCl₂	Calcium Chloride	cacl2
671	ZnCl₂	Zinc dichloride	zncl2
672	BeBr₂	Beryllium bromide	bebr2
673	CaBr₂	Calcium dibromide	cabr2
674	CaF₂	Calcium difluoride	caf2
675	FCO⁺	Carbonyl fluoride cation	fco+
676	FNO	Nitrosyl fluoride	fno
677	ClNO	Nitrosyl chloride	clno
678	FNS	Thionitrosyl fluoride	fns
679	FSN	Thiazyl fluoride	fsn
680	OPCl	Phosphorus oxychloride	opcl
681	INO	Nitrosyl iodide	ino
682	CF₂	Difluoromethylene	cf2
683	CFCl	chlorofluoromethylene	cfcl
684	CCl₂	dichloromethylene	ccl2
685	SiCl₂	Dichlorosilylene	sicl2
686	GeF₂	Germanium difluoride	gef2
687	GeCl₂	Germanium dichloride	gecl2
688	CBr₂	dibromomethylene	cbr2
689	FOO	Dioxygen monofluoride radical	foo
690	ClOO	chloroperoxy radical	cloo
691	ClS₂	Sulfur chloride	cls2
692	NF₂	Difluoroamino radical	nf2
693	PF₂⁺	Phosphorus difluoride cation	pf2+
694	FClO	chlorosyl fluoride	fclo
695	F₂O	Difluorine monoxide	f2o
696	ClOF	Chlorine hypofluorite	clof
697	SF₂	sulfur difluoride	sf2
698	Cl₂O	Dichlorine monoxide	cl2o
699	SCl₂	Sulfur dichloride	scl2
700	SeF₂	Selenium difluoride	sef2
701	SeCl₂	Selenium Dichloride	secl2
702	SBr₂	Sulfur dibromide	sbr2
703	SeBr₂	Selenium dibromide	sebr2
704	F₃^-	trifluoride anion	f3-
705	Cl₃^-	trichloride anion	cl3-
706	Br₃^-	tribromide anion	br3-
707	I₃^-	triiodide	i3-
708	SFCl	Sulfur chloride fluoride	sfcl
709	HCCF	Fluoroacetylene	hccf
710	HCCCl	Chloroacetylene	hcccl
711	HCCBr	bromoacetylene	hccbr
712	HFCO	formyl fluoride	hfco
713	BHF₂	Difluoroborane	bhf2
714	BHCl₂	Borane, dichloro-	bhcl2
715	CHF₂⁺	difluoromethyl cation	chf2+
716	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
717	CHCl₂⁺	dichloromethyl cation	chcl2+
718	HOClO	Chlorous acid	hoclo
719	NHF₂	difluoramine	nhf2
720	NHCl₂	dichloroamine	nhcl2
721	CH₂F₂	Methane, difluoro-	ch2f2
722	CH₂FCl	fluorochloromethane	ch2fcl
723	SiH₂F₂	difluorosilane	sih2f2
724	CH₂Cl₂	Methylene chloride	ch2cl2
725	CH₂BrF	Methane, bromofluoro-	ch2fbr
726	CH₂BrCl	Methane, bromochloro-	ch2clbr
727	CH₂FI	fluoroiodomethane	ch2fi
728	CH₂Br₂	dibromomethane	ch2br2
729	CH₂ClI	chloroiodomethane	ch2cli
730	CH₂BrI	bromoiodomethane	ch2bri
731	CH₂I₂	Diiodomethane	ch2i2
732	SiH₂Cl₂	dichlorosilane	sih2cl2
733	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
734	CH₂CHF⁺	fluoroethene cation	ch2chf+
735	C₂H₃Cl	Ethene, chloro-	ch2chcl
736	C₂H₃Br	vinyl bromide	c2h3br
737	C₂H₃I	Vinyl iodide	c2h3i
738	CH₂FOH	fluoromethanol	ch2foh
739	CH₃OCl	methyl hypochlorite	ch3ocl
740	C₂H₅F	fluoroethane	c2h5f
741	CH₃CH₂Cl	Ethyl chloride	c2h5cl
742	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
743	C₂H₅Br	Ethyl bromide	etbr
744	C₂H₅I	Ethyl iodide	c2h5i
745	KrF₂	Krypton difluoride	krf2
746	XeF₂	Xenon difluoride	xef2
747	B₄H₁₀	Tetraborane(10)	b4h10
748	C₄⁺	Carbon tetramer cation	c4+
749	C₄H₂	Diacetylene	c4h2
750	C₂H₃CCH	1-Buten-3-yne	c2h3cch
751	C₄H₄	cyclobutadiene	cbd
752	C₄H₄	Tetrahedrane	c4h4
753	H₂CCCCH₂	Butatriene	h2cccch2
754	C₄H₆	1-Methylcyclopropene	c3100047
755	C₄H₆	Cyclobutene	c822355
756	C₄H₆	Methylenecyclopropane	c6142730
757	CH₂CCHCH₃	1,2-Butadiene	butad12
758	CH₂CHCHCH₂	1,3-Butadiene	c106990
759	CH₃CCCH₃	2-Butyne	c503173
760	CHCCH₂CH₃	1-Butyne	c107006
761	C₄H₈	methylcyclopropane	mcp
762	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
763	CH₂CHCH₂CH₃	1-Butene	bute1
764	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
765	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
766	B(CH₃)₃	trimethylborane	bme3
767	Al(CH₃)₃	trimethyl aluminum	tma
768	C(CH₃)₃	Tert-butyl radical	tbutyl
769	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
770	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
771	CH₃CH(CH₃)CH₃	Isobutane	isobutane
772	CH₃CH₂CH₂CH₃	Butane	butane
773	SiH(CH₃)₃	trimethylsilane	trimsi
774	Li₃N	trilithium nitride	li3n
775	C₂N₂	Cyanogen	c2n2
776	P₄	Phosphorus tetramer	p4
777	As₄	Arsenic tetramer	as4
778	HCCCN	Cyanoacetylene	hcccn
779	H₂CNCN	cyanamide, methylene	ch2ncn
780	HNCCNH	Ethenediimine	hnccnh
781	C₃H₃N	acrylonitrile	ch2chcn
782	CH₃N₃	methyl azide	ch3n3
783	NH₂CCNH₂	Diaminoacetylene	daa
784	NH₂CH₂CN	Aminoacetonitrile	aan
785	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
786	C₂H₅CN	ethyl cyanide	c2h5cn
787	CH₅N₃	Guanidine	guanidine
788	C₄H₆	Bicyclo[1.1.0]butane	c157335
789	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
790	H₂NCHCHNH₂	diaminoethylene	dae
791	CH₆N₃⁺	guanidinium	ch6n3+
792	C₃H₇N	Cyclopropylamine	cpram
793	CH₇N₃	triaminomethane	tam
794	C₃H₇N	Azetidine	azet
795	C₄H₈	cyclobutane	cbutane
796	C₂H₈N₂	Ethylenediamine	ethdiam
797	CH₃NHNHCH₃	dimethyl hydrazine	dmh
798	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
799	N(CH₃)₃	Trimethylamine	trimeam
800	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
801	P(CH₃)₃	trimethylphosphine	tmp
802	N(SiH₃)₃	trisilylamine	tsa
803	As(CH₃)₃	trimethyl arsine	tmas
804	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
805	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
806	Li₂O₂	dilithium dioxide	li2o2
807	Na₂O₂	disodium dioxide	na2o2
808	K₂O₂	dipotassium dioxide	k2o2
809	C₃O	Tricarbon monoxide	c3o
810	B₂O₂	Diboron dioxide	b2o2
811	ONNO	NO dimer	onno
812	S₂N₂	Disulfur dinitride	s2n2
813	CO₃	Carbon trioxide	co3
814	CO₃^--	carbonate	co3--
815	CS₃^--	Carbonotrithioate	cs3--
816	NO₃	Nitrogen trioxide	no3
817	NO₃^-	nitrate anion	no3-
818	SO₃	Sulfur trioxide	so3
819	SO₃^--	Sulfate dianion	so3--
820	SeO₃	selenium trioxide	seo3
821	S₄	Sulfur tetramer	s4
822	TeO₃	Tellurium trioxide	teo3
823	HCO₃^-	bicarbonate anion	hco3-
824	HNO₃	Nitric acid	hno3
825	NH₂NO₂	nitramide	nh2no2
826	C₂H₂CO	cyclopropenone	c2h2co
827	C₃H₂O	Propadienal	c3h2o
828	HCCCHO	2-propynal	hcccho
829	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
830	H₂CO₃	Carbonic acid	h2co3
831	H₂CS₃	thiocarbonic acid	h2cs3
832	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
833	H₂SO₃	Sulfurous acid	h2so3
834	C₂H₃NO	Nitrosoethylene	c2h3no
835	CH₃NCO	methylisocyante	ch3nco
836	HOCH₂CN	cyanomethanol	hoch2cn
837	CH₃COO^-	acetate anion	ch3coo-
838	CH₃NO₂	Methane, nitro-	ch3no2
839	CH₃ONO	Methyl nitrite	ch3ono
840	NH₂COOH	Carbamic acid	nh2cooh
841	H₃BO₃	Boric acid	h3bo3
842	H₃AlO₃	Aluminum hydroxide	h3alo3
843	H₃CO₃⁺	carbonic acid, protonated	h3co3+
844	C₃H₄O	2-Propyn-1-ol	c107197
845	C₃H₄O	allenol	c9000071
846	C₃H₄O	Cyclopropanone	cpone
847	C₃H₄O	Methylketene	c6004440
848	CH₂CHCHO	Acrolein	c3h4o
849	NH₂CONH₂	Urea	urea
850	NH₂CONH₂⁺	Urea cation	urea+
851	NH₂CSNH₂	Thiourea	thiourea
852	C₂H₄O₂	1,3-dioxetane	c2h4o2
853	CH₃COOH	Acetic acid	ch3cooh
854	CH₃OCHO	methyl formate	ch3ocho
855	CHOCH₂OH	hydroxy acetaldehyde	haa
856	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
857	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
858	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
859	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
860	HCOOHH₂O	Formic acid water dimer	hcoohh2o
861	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
862	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
863	CH₃C(OH)=NH	Ethaninidic acid	eia
864	CH₃CHNOH	Acetaldoxime	acetaldoxime
865	CH₃CONH₂	Acetamide	acetamide
866	HCONHCH₃	N-methylformamide	nmfa
867	CH₃CSNH₂	Ethanethioamide	ch3csnh2
868	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
869	H₂NCOHNH₂⁺	urea, protonated	ureah+
870	C₂H₅OO	ethylperoxy radical	c2h5oo
871	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
872	C₃H₅OH	Cyclopropanol	cproh
873	C₃H₆O	2-Propen-1-ol	c107186
874	C₃H₆O	Acetone enol	enol
875	C₃H₆O	Oxetane	oxetane
876	C₃H₆O	Propylene oxide	prox
877	CH₃CH₂CHO	Propanal	propanal
878	CH₃COCH₃	Acetone	acetone
879	C₃H₆S	Thietane	thietane
880	C₃H₆S	Thiirane, methyl-	methiirane
881	CH₃CSCH₃	Thioacetone	ch3csch3
882	C₂H₆O₂	1,2-Ethanediol	ethdiol
883	CH₃OOCH₃	dimethylperoxide	dmp
884	CH₃SOCH₃	Dimethyl sulfoxide	dmso
885	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
886	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
887	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
888	HOCH₂CH₂NH₂	monoethanolamine	mea
889	C₃H₇OH	1-Propanol	proh
890	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
891	CH₃OC₂H₅	Ethane, methoxy-	etome
892	C₃H₇SH	1-Propanethiol	prsh
893	CH₃CHSHCH₃	2-Propanethiol	isoprsh
894	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
895	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
896	Li₂F₂	Lithium fluoride dimer	li2f2
897	Na₂F₂	Sodium Fluoride Dimer	na2f2
898	Na₂Cl₂	Disodium dichloride	na2cl2
899	C₂F₂	difluoroacetylene	c2f2
900	C₂Cl₂	dichloroacetylene	c2cl2
901	FNO₂	Nitryl fluoride	fno2
902	FONO	Nitrosyl hypofluorite	fono
903	ClNO₂	Nitryl chloride	clno2
904	ClONO	chlorine nitrite	clono
905	N₂F₂	(Z)-Difluorodiazene	n2f2_z
906	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
907	CF₂O	Carbonic difluoride	f2co
908	CCl₂O	Phosgene	cl2co
909	Cl₂CS	Thiophosgene	cl2cs
910	BF₃	Borane, trifluoro-	bf3
911	AlF₃	Aluminum trifluoride	alf3
912	BClF₂	Chlorodifluoroborane	bclf2
913	AlF₂Cl	Aluminum chloride difluoride	alclf2
914	ScF₃	Scandium trifluoride	ScF3
915	AlFCl₂	Aluminum dichloride fluoride	alcl2f
916	BCl₃	Borane, trichloro-	bcl3
917	GaF₃	Gallium trifluoride	gaf3
918	AlCl₃	Aluminum trichloride	alcl3
919	GaCl₃	Gallium trichloride	gacl3
920	BBr₃	Boron tribromide	bbr3
921	AlBr₃	Aluminum Bromide	albr3
922	ClO₃	Chlorine trioxide	clo3
923	ClO₃^-	chlorate anion	clo3-
924	BrO₃^-	Bromate anion	bro3-
925	CF₃	Trifluoromethyl radical	cf3
926	CCl₃	Trichloromethyl radical	ccl3
927	SiCl₃	trichlorosilyl radical	sicl3
928	SiCl₃⁺	trichlorosilyl cation	sicl3+
929	FOOF	Perfluoroperoxide	foof
930	ClO₂F	Chloryl fluoride	clo2f
931	F₂SO	Thionyl Fluoride	f2so
932	ClOOCl	Dichlorine dioxide	cloocl
933	FSSF	Difluorodisulfane	fssf
934	S₂F₂	Thio-thionyl fluoride	s2f2
935	SOCl₂	thionyl chloride	socl2
936	SSCl₂	Thiothionyl chloride	sscl2
937	SeOCl₂	selenium oxychloride	seocl2
938	PF₃	Phosphorus trifluoride	pf3
939	NCl₃	nitrogen trichloride	ncl3
940	AsF₃	Arsenic trifluoride	asf3
941	PCl₃	Phosphorus trichloride	pcl3
942	SbF₃	Antimony Trifluoride	sbf3
943	AsCl₃	Arsenous trichloride	ascl3
944	SbCl₃	Antimony Trichloride	sbcl3
945	NBr₃	Nitrogen Tribromide	nbr3
946	PBr₃	Phosphorus tribromide	pbr3
947	AsBr₃	Arsenic tribromide	asbr3
948	NI₃	Nitrogen triiodide	ni3
949	PI₃	Phosphorus triiodide	pi3
950	ClSSCl	Disulfur dichloride	s2cl2
951	ClF₃	Chlorine trifluoride	clf3
952	BrF₃	Bromine trifluoride	brf3
953	IF₃	iodone trifluoride	if3
954	HClO₃	Chloric Acid	hclo3
955	CHF₃	Methane, trifluoro-	chf3
956	CHF₂Cl	difluorochloromethane	chf2cl
957	SiHF₃	trifluorosilane	sihf3
958	CHFCl₂	fluorodichloromethane	chfcl2
959	CDCl₃	trichloromethane-d	cdcl3
960	CHCl₃	Chloroform	chcl3
961	SiHCl₃	Trichlorosilane	sihcl3
962	CHFClBr	fluorochlorobromomethane	chfclbr
963	CHF₂I	difluoroiodomethane	chf2i
964	CHBr₂F	dibromofluoromethane	chbr2f
965	CHFClI	fluorochloroiodomethane	chfcli
966	CHCl₂I	dichloroiodomethane	chcl2i
967	CHBr₃	bromoform	chbr3
968	CHI₃	Iodoform	chi3
969	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
970	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
971	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
972	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
973	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
974	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
975	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
976	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
977	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
978	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
979	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
980	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
981	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
982	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
983	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
984	CH₃COF	Acetyl fluoride	ch3cof
985	CH₂ClCHO	chloroacetaldehyde	ch2clcho
986	CH₃COCl	Acetyl Chloride	ch3cocl
987	C₂H₄F₂	1,2-difluoroethane	c2h4f2
988	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
989	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
990	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
991	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
992	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
993	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
994	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
995	CH₂CFCH₃	2-fluoropropene	2fpro
996	CH₂CHCH₂F	Allyl Fluoride	allylf
997	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
998	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
999	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1000	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1001	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1002	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1003	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1004	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1005	CH₃CHFCH₃	2-Fluoropropane	prf2
1006	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1007	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1008	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1009	CH₃CHBrCH₃	i-propyl bromide	iprbr
1010	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1011	B₅H₉	pentaborane9	b5h9
1012	C₅H₄	pentatetraene	ptrene
1013	C₅H₅^-	cylopentadienyl anion	c5h5-
1014	C₅H₆	1,3-Cyclopentadiene	c542927
1015	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1016	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1017	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1018	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1019	C₅H₆	Cyclopropylacetylene	c6746947
1020	C₅H₆	Propellane	propellane
1021	C₅H₇	1,3-pentadienyl radical	pdyl
1022	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1023	C₅H₈	1,2-Pentadiene	c591957
1024	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1025	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1026	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1027	C₅H₈	1,4-Pentadiene	c591935
1028	C₅H₈	1-pentyne	a1pentyne
1029	C₅H₈	2,3-Pentadiene	c591968
1030	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1031	C₅H₈	Cyclobutane, methylene-	c1120565
1032	C₅H₈	Cyclopentene	c142290
1033	C₅H₈	Ethenylcyclopropane	c693867
1034	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1035	C₅H₁₀	1-Butene, 2-methyl-	c563462
1036	C₅H₁₀	2-Butene, 2-methyl-	c513359
1037	C₅H₁₀	2-Pentene, (E)-	c646048
1038	C₅H₁₀	2-Pentene, (Z)-	c627203
1039	C₅H₁₀	Cyclopentane	c287923
1040	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1041	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1042	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1043	C₅H₁₂	Butane, 2-methyl-	buta2
1044	C₅H₁₂	Pentane	pentane
1045	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1046	Si(CH₃)₄	tetramethylsilane	tms
1047	N₂O₃	Dinitrogen trioxide	n2o3
1048	C₃H₂N₂	Malononitrile	c3h2n2
1049	CH₂N₄	1H-Tetrazole	1htz
1050	C₃H₃N₂^-	imidizolyl anion	im-
1051	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1052	C₄H₄N^-	pyrrolide anion	c4h4n-
1053	C₃H₄N₂	1H-Imidazole	1himidaz
1054	C₃H₄N₂	1H-Pyrazole	1hpyraz
1055	C₃H₄N₂	2H-Imidazole	imid2h
1056	C₃H₄N₂	4H-Imidazole	imid4h
1057	C₄H₅N	(E)-2-Butenenitrile	c627269
1058	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1059	C₄H₅N	2H-pyrrole	pyrrole2
1060	C₄H₅N	3H-pyrrole	pyrrole3
1061	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1062	C₄H₅N	Pyrrole	pyrrole
1063	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1064	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1065	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1066	C₄H₆N⁺	pyrrole, protonated	ppyr
1067	C₃H₆N₂	3-Aminopropionitrile	c151188
1068	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1069	CH₃CH₂CH₂CN	Butanenitrile	c109740
1070	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1071	C₅H₈	Spiropentane	c157404
1072	C₄H₉N	Cyclobutylamine	cbam
1073	C₄H₉N	Pyrrolidine	pyrrolidine
1074	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1075	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1076	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1077	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1078	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1079	NH(C₂H₅)₂	diethylamine	dea
1080	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1081	C₃O₂	Carbon suboxide	c3o2
1082	B₂O₃	diboron trioxide	b2o3
1083	MgCO₃	Magnesium Carbonate	mgco3
1084	BeCO₃	Beryllium Carbonate	beco3
1085	CaCO₃	Calcium Carbonate	caco3
1086	ONONO	Nitrosyl nitrite	onono
1087	PO₄^---	phosphate	po4---
1088	SO₄^--	sulfate	so4--
1089	HOONO₂	peroxy nitric acid	hoono2
1090	HSO₄^-	bisulfate anion	hso4-
1091	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1092	C₃H₂O₂	Propiolic acid	c3h2o2
1093	CHOCOOH	oxo acetic acid	oaa
1094	CHOOCHO	diformyl ether	choocho
1095	H₂SO₄	Sulfuric acid	h2so4
1096	H₂SeO₄	Selenic acid	h2seo4
1097	C₃H₃NO	Isoxazole	isox
1098	C₃H₃NO	Oxazole	oxazole
1099	C₃H₃NS	Thiazole	thiazole
1100	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1101	CH₃NO₃	Methyl nitrate	ch3no3
1102	H₃PO₄	Phosphoric Acid	h3po4
1103	C₄H₄O	Furan	furan
1104	C₄H₄O⁺	Furan cation	furan+
1105	CH₃COCCH	3-butyn-2-one	c1423605
1106	C₄H₄S	Thiophene	furans
1107	C₄H₄Se	selenophene	c4h4se
1108	C₃H₄O₂	β–Propiolactone	beta
1109	C₃H₄O₂	2-Propenoic acid	propenoic2
1110	C₃H₄O₂	Methyl glyoxal	megly
1111	C₃H₄O₂	propanedial	propanedial
1112	C₃H₄O₂	propenalol	propenalol
1113	HOCHCCHOH	allenediol	aldiol
1114	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1115	C₂H₄O₃	trioxolane124	triox
1116	HOCH₂COOH	Hydroxyacetic acid	hac
1117	CH₂CHCONH₂	Acrylamide	c79061
1118	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1119	CH₅N₃S	Hydrazinecarbothioamide	c79196
1120	H₂NCH₂COOH	Glycine	glycine
1121	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1122	C₄H₆O	cis-2-butenal	butenal2c
1123	C₄H₆O	Cyclobutanone	cbutone
1124	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1125	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1126	CH₂CHOCHCH₂	Vinyl ether	vinylether
1127	CHOCHCHCH₃	2-Butenal	butenal2
1128	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1129	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1130	CH₂CHSCHCH₂	Divinyl sulfide	divis
1131	C₂H₆N₂O	Urea, methyl-	c598505
1132	C₃H₆O₂	1,3-Dioxolane	dioxolane
1133	CH₃CH₂COOH	Propanoic Acid	propanoic
1134	CH₃COOCH₃	methyl acetate	aame
1135	HCOOC₂H₅	Ethyl formate	faee
1136	C₂H₆O₂S	Dimethyl sulfone	c67710
1137	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1138	C₃H₇NO	dimethylformamide	dmf
1139	C₃H₇NO	Propanamide	propanam
1140	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1141	C₄H₈O	Cyclobutanol	c2919235
1142	C₄H₈O	Furan, tetrahydro-	thf
1143	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1144	CH₃COCH₂CH₃	2-Butanone	buta2one
1145	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1146	CHOCH₂CH₂CH₃	Butanal	butanal
1147	C₄H₈S	Thiophene, tetrahydro-	tht
1148	C₃H₈O₂	1,3-Propanediol	c504632
1149	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1150	C₃H₈O₂	Methane, dimethoxy-	c109875
1151	C₃H₈O₂	Propylene glycol	c57556
1152	C₃H₈S₂	1,3-Propanedithiol	c109808
1153	C₄H₁₀O	1-Butanol	butanol1
1154	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1155	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1156	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1157	C₄H₁₀O	Ethoxy ethane	etoet
1158	C₄H₁₀O	Methyl propyl ether	meopr
1159	C₄H₁₀O	Propane, 2-methoxy-	c598538
1160	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1161	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1162	C₂H₅SC₂H₅	Diethyl sulfide	etset
1163	C₄H₉SH	1-Butanethiol	bush
1164	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1165	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1166	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1167	FNO₃	Fluorine nitrate	fno3
1168	ClONO₂	Chlorine nitrate	clono2
1169	BrONO₂	Bromine nitrate	brono2
1170	TiCl₄	Titanium tetrachloride	ticl4
1171	ClO₄^-	perchlorate anion	clo4-
1172	BF₄^-	tetrafluoroboron anion	bf4-
1173	ClFO₃	Perchloryl fluoride	clfo3
1174	SO₂F₂	Sulfuryl fluoride	so2f2
1175	SO₂Cl₂	Sulfuryl chloride	so2cl2
1176	F₃NO	Nitrogen trifluoride oxide	f3no
1177	F₃PO	Phosphoryl fluoride	pf3o
1178	Cl₃PO	Phosphoryl chloride	pcl3o
1179	CF₄	Carbon tetrafluoride	cf4
1180	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1181	SiF₄	Silicon tetrafluoride	sif4
1182	CF₂Cl₂	difluorodichloromethane	cf2cl2
1183	TiF₄	Titanium tetrafluoride	tif4
1184	CFCl₃	Trichloromonofluoromethane	cfcl3
1185	CF₃Br	Bromotrifluoromethane	cf3br
1186	GeF₄	Germanium tetrafluoride	gef4
1187	CCl₄	Carbon tetrachloride	ccl4
1188	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1189	SiCl₄	Silane, tetrachloro-	sicl4
1190	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1191	CF₃I	trifluoroiodomethane	cf3i
1192	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1193	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1194	GeCl₄	Germanium Tetrachloride	gecl4
1195	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1196	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1197	CCl₃I	trichloroiodomethane	ccl3i
1198	CFBr₃	fluorotribromomethane	cfbr3
1199	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1200	CBr₃Cl	tribromochloromethane	cbr3cl
1201	CF₂I₂	difluorodiiodomethane	cf2i2
1202	CBr₄	Carbon tetrabromide	cbr4
1203	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1204	SiBr₄	Silicon tetrabromide	sibr4
1205	CBr₃I	tribromoiododmethane	cbr3i
1206	GeBr₄	Germanium tetrabromide	gebr4
1207	CI₄	tetraiodomethane	ci4
1208	SiI₄	silicon tetraiodide	sii4
1209	ClOF₃	Chlorine trifluoride oxide	clof3
1210	SF₄	Sulfur tetrafluoride	sf4
1211	SeF₄	Selenium tetrafluoride	sef4
1212	SCl₄	Sulfur tetrachloride	scl4
1213	C₂HF₃	Trifluoroethylene	c2hf3
1214	CHClCCl₂	Trichloroethylene	chclccl2
1215	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1216	HClO₄	perchloric acid	hclo4
1217	HSO₃F	Fluorosulfonic acid	hso3f
1218	CF₃OH	trifluoromethanol	cf3oh
1219	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1220	CHClCCHCl	1,3-dichloroallene	chclcchcl
1221	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1222	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1223	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1224	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1225	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1226	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1227	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1228	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1229	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1230	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1231	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1232	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1233	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1234	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1235	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1236	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1237	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1238	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1239	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1240	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1241	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1242	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1243	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1244	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1245	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1246	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1247	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1248	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1249	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1250	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1251	C₄H₉F	1-fluorobutane	butaf1
1252	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1253	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1254	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1255	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1256	XeF₄	Xenon tetrafluoride	xef4
1257	C₂H₂N₂O	Furazan	furazan
1258	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1259	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1260	C₆H₂	hexatriyne	c6h2
1261	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1262	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1263	C₆H₄	Benzyne	benzyne
1264	C₆H₅	phenyl	phenyl
1265	C₆H₅^-	phenyl anion	phenyl-
1266	C₆H₆	Prismane	prismane
1267	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1268	C₆H₆	2,4-Hexadiyne	hexadiyne
1269	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1270	C₆H₆	Benzene	benzene
1271	C₆H₆	Benzvalene	bv
1272	C₆H₆	Dewar Benzene	dewar
1273	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1274	C₆H₆	Trimethylenecycopropane	tmcp
1275	C₆H₆⁺	Benzene cation	c6h6+
1276	C₆H₇⁺	benzene, protonated	c6h7+
1277	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1278	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1279	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1280	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1281	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1282	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1283	C₆H₈	3-Methylenecyclopentene	c930267
1284	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1285	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1286	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1287	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1288	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1289	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1290	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1291	C₆H₁₀	1,5-Hexadiene	c592427
1292	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1293	C₆H₁₀	1-Hexyne	hexyne1
1294	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1295	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1296	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1297	C₆H₁₀	2-Hexyne	c764352
1298	C₆H₁₀	3-Hexyne	hexyne3
1299	C₆H₁₀	cyclohexene	cyclohexene
1300	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1301	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1302	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1303	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1304	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1305	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1306	C₆H₁₂	(E)-2-Hexene	e2hexene
1307	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1308	C₆H₁₂	(E)-hex-3-ene	e3hexene
1309	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1310	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1311	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1312	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1313	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1314	C₆H₁₂	3-methylenepentane	c760214
1315	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1316	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1317	C₆H₁₂	Cyclohexane	cyclohexane
1318	C₆H₁₂	Cyclopentane, methyl-	c96377
1319	C₆H₁₂	Ethylcyclobutane	c4806615
1320	C₆H₁₂	hex-1-ene	hexene1
1321	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1322	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1323	C₆H₁₄	Hexane	hexane
1324	C₆H₁₄	Pentane, 2-methyl-	penta2
1325	C₆H₁₄	Pentane, 3-methyl-	penta3
1326	C₄N₂	2-Butynedinitrile	c4n2
1327	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1328	C₄H₂N₂	Fumaronitrile	c4h2n2
1329	C₂H₂N₄	sym-tetrazine	ttz
1330	C₃H₃N₃	1,3,5-Triazine	triazine135
1331	CH₃N₅	5-Aminotetrazole	c4418615
1332	C₄H₄N₂	1,3-Diazine	diazine13
1333	C₄H₄N₂	Pyrazine	pyrazine
1334	C₄H₄N₂	Pyridazine	pyridazine
1335	C₄H₄N₂	Succinonitrile	c110612
1336	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1337	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1338	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1339	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1340	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1341	C₅H₅N	Pyridine	pyridine
1342	B₃N₃H₆	borazine	borazine
1343	C₆H₆	Fulvene	fulvene
1344	C₅H₆N⁺	Pyridinium	c5h6n
1345	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1346	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1347	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1348	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1349	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1350	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1351	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1352	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1353	C₅H₉N	Pentanenitrile	c110598
1354	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1355	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1356	C₅H₁₁N	Cyclopentanamine	cypentam
1357	C₅H₁₁N	Piperidine	piper
1358	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1359	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1360	Li₂CO₃	Lithium Carbonate	li2co3
1361	Na₂CO₃	Sodium Carbonate	na2co3
1362	C₂O₄^--	oxalate anion	c2o4
1363	MgSO₄	Magnesium Sulfate	mgso4
1364	N₂O₄	Dinitrogen tetroxide	n2o4
1365	C₃H₂O₃	vinylene carbonate	vica
1366	C₂H₂O₄	Oxalic Acid	oxalic
1367	C₂H₃NO₃	Oxamic acid	oxamic
1368	C₄H₄O₂	2(5H)-Furanone	furanone
1369	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1370	C₂H₄N₂O₂	Oxalamide	oxalamide
1371	C₂H₄N₂S₂	Ethanedithioamide	c79403
1372	C₂H₄CO₃	Ethylene carbonate	etco3
1373	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1374	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1375	C₂H₄O₄	Formic acid dimer	fadimer
1376	C₄H₅NO	3-Methylisoxazole	isox3m
1377	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1378	C₄H₅NS	4-Methylthiazole	c693958
1379	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1380	C₅H₆O	2H-Pyran	pyran2
1381	C₅H₆O	2-methylfuran	furan2m
1382	C₅H₆O	3-Methylfuran	furan3m
1383	C₅H₆O	Pentadienal	pdal
1384	C₅H₆S	Thiophene, 2-methyl-	c554143
1385	C₅H₆S	Thiophene, 3-methyl-	c616444
1386	C₄H₆O₂	γ–Butyrolactone	c96480
1387	C₄H₆O₂	2,3-Butanedione	c431038
1388	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1389	C₄H₆O₂	Crotonic Acid	crot
1390	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1391	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1392	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1393	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1394	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1395	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1396	C₄H₆OS	Vinyl sulfoxide	c1115157
1397	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1398	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1399	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1400	C₃H₆O₃	1,3,5-Trioxane	trioxane
1401	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1402	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1403	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1404	C₄H₇NO	2-Pyrrolidinone	c616455
1405	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1406	C₄H₇NO	Methacrylamide	c79390
1407	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1408	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1409	C₃H₇ONO	Propyl nitrite	prono
1410	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1411	CH₃CH(NH₂)COOH	Alanine	alanine
1412	CH₃NHCH₂COOH	Sarcosine	sarcosine
1413	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1414	NH₂COOC₂H₅	Urethane	urethane
1415	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1416	C₅H₈O	Cyclopentanone	c120923
1417	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1418	C₅H₈O	Methyl cyclopropyl ketone	c765435
1419	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1420	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1421	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1422	C₄H₈O₂	1,3-Dioxane	dioxan13
1423	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1424	C₄H₈O₂	1,4-Dioxane	dioxan14
1425	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1426	C₄H₈O₂	Ethyl acetate	c141786
1427	C₄H₈OS	s-Ethyl thioacetate	c625605
1428	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1429	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1430	C₄H₉NO	Butanamide	c541355
1431	C₄H₉NO	Propanamide, 2-methyl-	c563837
1432	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1433	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1434	C₅H₁₀O	2-methylbutyraldehyde	2meba
1435	C₅H₁₀O	2-Pentanone	mpk
1436	C₅H₁₀O	3-Pentanone	dek
1437	C₅H₁₀O	Cyclopentanol	c96413
1438	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1439	C₅H₁₀O	Pentanal	pal
1440	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1441	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1442	C₅H₁₀S	Cyclopentanethiol	c1679078
1443	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1444	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1445	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1446	C₄H₁₀O₂	1,3-Butanediol	budiol13
1447	C₄H₁₀O₂	1,4-Butanediol	budiol14
1448	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1449	C₄H₁₀OS	Diethyl sulfoxide	c70291
1450	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1451	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1452	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1453	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1454	C₅H₁₂O	1-Pentanol	pentanol1
1455	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1456	C₅H₁₂O	2-Pentanol	peol2
1457	C₅H₁₂O	3-Pentanol	pentan3ol
1458	C₅H₁₂O	Butane, 1-methoxy-	meobu
1459	C₅H₁₂O	Propane, 1-ethoxy-	proet
1460	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1461	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1462	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1463	C₅H₁₂S	1-Pentanethiol	c110667
1464	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1465	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1466	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1467	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1468	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1469	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1470	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1471	C₄F₂	difluorobutadiyne	c4f2
1472	ClCOClCO	Oxalyl chloride	oxcl
1473	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1474	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1475	B₂F₄	Diboron tetrafluoride	b2f4
1476	B₂Cl₄	Diboron tetrachloride	b2cl4
1477	C₂F₄	Tetrafluoroethylene	c2f4
1478	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1479	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1480	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1481	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1482	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1483	C₂FCl₃	fluorotrichloroethene	c2fcl3
1484	C₂Cl₄	Tetrachloroethylene	c2cl4
1485	C₂Br₄	tetrabromoethene	c2br4
1486	CF₃OF	Trifluoromethylhypofluorite	cf3of
1487	SiF₅^-	silicon pentafluoride anion	sif5-
1488	SOF₄	Sulfur tetrafluoride oxide	sof4
1489	PF₅	Phosphorus pentafluoride	pf5
1490	AsF₅	Arsenic pentafluoride	asf5
1491	PCl₅	Phosphorus pentachloride	pcl5
1492	SF₅⁺	pentafluoro sulfur cation	sf5+
1493	SbCl₅	Antimony pentachloride	sbcl5
1494	BrF₅	bromine pentafluoride	brf5
1495	ClF₅	chlorinepentafluoride	clf5
1496	IF₅	pentafluoroiodine	if5
1497	CF₃CHO	trifluoroacetaldehyde	cf3cho
1498	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1499	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1500	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1501	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1502	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1503	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1504	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1505	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1506	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1507	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1508	CF₃COOH	trifluoroacetic acid	cf3cooh
1509	C₄H₃ClO	Furan, 2-chloro	fur2cl
1510	C₄H₃ClO	Furan,3-chloro	fur3cl
1511	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1512	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1513	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1514	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1515	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1516	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1517	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1518	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1519	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1520	C₄H₈O₂	Butanoic acid	bua
1521	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1522	C₆H₅CH₃	toluene	toluene
1523	C₇H₈	cycloheptatriene	cht
1524	C₇H₈	Norbornadiene	norbor
1525	C₇H₈	Quadricyclane	qucy
1526	C₇H₁₂	Norbornane	nor
1527	C₇H₁₄	cycloheptane	c7h14
1528	C₇H₁₆	2-methylhexane	2mhex
1529	C₇H₁₆	3-methylhexane	hex3m
1530	C₇H₁₆	heptane	heptane
1531	CH(CN)₃	tricyanomethane	mecn3
1532	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1533	C₆H₇N	2-Methylpyridine	mp
1534	C₆H₅NH₂	aniline	aniline
1535	C₆H₁₃N	2-Methylpiperidine	pip2m
1536	C₆H₁₅N	triethylamine	tea
1537	N₂O₅	Dinitrogen pentoxide	n2o5
1538	C₄H₂O₃	Maleic Anhydride	malan
1539	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1540	C₅H₄O₂	furfural	furfural
1541	C₅H₅NO	2(1H)-Pyridinone	c72762006
1542	C₅H₅NO	2(3H)-Pyridinone	c9000048
1543	C₅H₅NO	2(5H)-Pyridinone	c9000037
1544	C₅H₅NO	2-Pyridinol	c109104
1545	C₅H₅NO	3(2H)-Pyridinone	c9000004
1546	C₅H₅NO	3(4H)-Pyridinone	c9000026
1547	C₅H₅NO	3(6H)-Pyridinone	c9000015
1548	C₅H₅NO	3-Pyridinol	c109002
1549	C₅H₅NO	4(1H)-Pryidinone	c9000060
1550	C₅H₅NO	4(3H)-Pryidinone	c9000059
1551	C₅H₅NO	4-Pyridinol	c626642
1552	C₆H₅OH	phenol	phenol
1553	C₆H₆O	2,4-Cyclohexadienone	c24599573
1554	C₆H₆O	2,5-Cyclohexadienone	c5664335
1555	C₆H₅SH	Benzenethiol	phsh
1556	HO₂CCHNH₂CH₂OH	Serine	serine
1557	C₅H₈O₂	Acetylacetone	acac
1558	C₄H₈O₂S	Sulfolane	sulfolane
1559	C₇H₁₀	Norbornene	norbornene
1560	CH(C₂H₃)₃	trivinyl methane	tvm
1561	C₆H₁₀O	cyclohexanone	chexo
1562	C₆H₁₂O	hexanal	c6h12o
1563	C₆H₁₂O	Oxepane	oxepane
1564	C₃H₇OC₃H₇	di-n-propyl ether	propr
1565	F₂CCCF₂	tetrafluoroallene	pfa
1566	CF₃COO^-	trifluoro acetate anion	cf3coo-
1567	CF₃COF	trifluoroacetyl fluoride	cf3cof
1568	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1569	PF₆^-	Hexafluorophosphate ion	pf6-
1570	SF₆	Sulfur Hexafluoride	sf6
1571	SeF₆	Selenium hexafluoride	sef6
1572	SF₅Cl	sulfur chloropentafluoride	sf5cl
1573	CF₃CHF₂	pentafluoroethane	cf3chf2
1574	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1575	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1576	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1577	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1578	C₆H₅F	Fluorobenzene	bzf
1579	C₆H₅Cl	chlorobenzene	bzcl
1580	C₆H₅Br	bromobenzene	bzbr
1581	C₈H₆	Calicene	calicene
1582	C₆H₅CCH	phenylacetylene	phac
1583	C₈H₆	benzocyclobutadiene	bcbd
1584	C₈H₆	Pentalene	pentalene
1585	C₆H₅CHCH₂	Styrene	styrene
1586	C₈H₈	cubane	cubane
1587	C₈H₈	cyclooctatetraene	cot
1588	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1589	CH₃C₆H₄CH₃	meta-xylene	mxylene
1590	CH₃C₆H₄CH₃	paraxylene	pxylene
1591	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1592	C₈H₁₆	cyclooctane	cyclooct
1593	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1594	C₈H₁₈	Octane	c8h18
1595	C₆H₅CN	phenyl cyanide	phcn
1596	C₆H₁₂N₂	Triethylenediamine	ted
1597	C₄O₄^--	squarate dianion	c4o4--
1598	S₄N₄	Tetrasulfur tetranitride	s4n4
1599	S₈	Octasulfur	s8
1600	C₆H₄O₂	parabenzoquinone	pbq
1601	C₄H₄N₂O₂	Uracil	uracil
1602	C₆H₅CHO	benzaldehyde	benzal
1603	C₆H₅OCH₃	Anisole	anisole
1604	C₅H₉NO₂	Proline	proline
1605	C₄F₄	tetrafluorcyclobutadiene	c4f4
1606	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1607	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1608	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1609	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1610	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1611	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1612	C₂F₆	hexafluoroethane	c2f6
1613	C₂Cl₆	hexachloroethane	c2cl6
1614	IF₇	Iodine heptafluoride	if7
1615	C₆H₄F₂	metadifluorobenzene	mdfb
1616	C₆H₄F₂	orthodifluorobenzene	odfb
1617	C₆H₄F₂	1,4-difluorobenzene	pdfb
1618	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1619	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1620	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1621	C₆H₅NO	nitrosobenzene	bzno
1622	C₉H₈	Indene	indene
1623	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1624	C₉H₁₂	n-propyl benzene	prbz
1625	C₉H₂₀	Nonane	nonane
1626	C(CN)₄	tetracyanomethane	c5n4
1627	C₅H₄N₄	purine	purine
1628	C₈H₇N	Indole	indole
1629	C₃H₃N₃O₃	cyanuric acid	cyanuric
1630	C₆H₅NO₂	Nitrobenzene	c6h5no2
1631	C₆H₅COOH	benzoic acid	benzo
1632	CH₃COC₆H₅	acetophenone	acph
1633	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1634	C₃F₆	hexafluoropropene	c3f6
1635	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1636	C₈H₁₈O	1-Octanol	octanol
1637	C₁₀H₈	Azulene	azu
1638	C₁₀H₈	naphthalene	naph
1639	C₁₀H₁₀	bullvalene	bullv
1640	C₁₀H₁₆	adamantane	adamantane
1641	C₆N₄	Tetracyanoethylene	tcne
1642	C₆N₄^-	tetracyanoethylene anion	tcne-
1643	C₁₀H₂₂	Decane	decane
1644	C₄F₆	perfluorobutadiene	c4f6
1645	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1646	C₃F₈	perfluoropropane	c3f8
1647	Fe(CO)₅	Iron pentacarbonyl	ipc
1648	Fe(C₅H₅)₂	ferrocene	fecp2
1649	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1650	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1651	C₁₂H₈	Acenaphthylene	acenaph
1652	C₁₂H₈	biphenylene	biph
1653	C₁₂H₁₀	biphenyl	biphenyl
1654	C₁₂H₁₀	Heptalene	heptalene
1655	C₆H₁₂O₆	Inositol	inositol
1656	C₆F₆	hexafluorobenzene	c6f6
1657	S₂F₁₀	disulphur decafluoride	s2f10
1658	C₁₃H₁₀	Fluorene	fluorene
1659	C₁₄H₁₀	Anthracene	anth
1660	C₁₄H₁₀	Phenanthrene	phenanthrene
1661	C₁₄H₁₄	Bibenzyl	bibenzyl
1662	C₁₂H₁₀N₂	azobenzene	azobenzene
1663	C₆H₅COC₆H₅	benzophenone	benzophenone
1664	C₁₆H₁₀	Pyrene	pyrene
1665	C₁₈H₁₂	Tetracene	tetracene
1666	C₁₉H₁₆	Triphenylmethane	tpm
1667	C₂₄H₁₂	Coronene	coronene
1668	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