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

List of which calculations are completed at ROMP2 /STO-3G

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 cation	²S	K_h
6	HeH⁺	Helium hydride cation	¹Σ	C_∞v
7	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
8	Li	Lithium atom	²S	K_h
9	Li⁺	Lithium atom cation	¹S	K_h
10	Na	Sodium atom	²S	K_h
11	Na^-	Sodium atom anion	¹S	K_h
12	K	Potassium atom	²S	K_h
13	K^-	Potassium atom anion	¹S	K_h
14	K⁺	Potassium atom cation	¹S	K_h
15	Cu⁺	Copper atom cation	¹S	K_h
16	LiH⁺	lithium hydride cation	²Σ	C_∞v
17	NaH⁺	sodium hydride cation	²Σ	C_∞v
18	KH	Potassium hydride	¹Σ	C_∞v
19	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
20	Be⁺	Beryllium atom cation	²S	K_h
21	Mg^-	Magnesium atom anion	²P	K_h
22	Mg⁺	Magnesium atom cation	²S	K_h
23	Ca^-	Calcium atom anion	²D	K_h
24	Ca⁺	Calcium atom cation	²S	K_h
25	BeH	beryllium monohydride	²Σ	C_∞v
26	MgH	magnesium monohydride	²Σ	C_∞v
27	TiH	Titanium monohydride	⁴Φ	C_∞v
28	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
29	BeH₂⁺	Beryllium dihydride cation
30	B	Boron atom	²P	K_h
31	B⁺	Boron atom cation	¹S	K_h
32	Al	Aluminum atom	²P	K_h
33	Al^-	Aluminum atom anion	³P	K_h
34	Al⁺	Aluminum atom cation	¹S	K_h
35	Sc	Scandium atom	²D	K_h
36	Ga	Gallium atom	²P
37	Ga⁺	Gallium atom cation	¹S
38	BH	Boron monohydride	³Π	C_∞v
39	BH^-	boron monohydride anion	⁴Σ	C_∞v
40	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
41	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
42	BH₂^-	boron dihydride anion	³B₁	C_2v
43	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
44	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
45	BH₃⁺	boron trihydride cation	²E^'	D_3h
46	BH₃⁺	boron trihydride cation	²B₂	C_2v
47	BH₃⁺	boron trihydride cation		C_2v
48	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
49	AlH₃^-	aluminum trihydride anion		C_3v
50	AlH₃⁺	aluminum trihydride cation	²E	D_3h
51	ScH₃	Scandium trihydride	¹A₁	C_3v
52	BH₄	borohydride	²B₂	C_2v
53	BH₄^-	borohydride anion	¹A₁	T_d
54	C	Carbon atom	³P₀	K_h
55	C^-	Carbon atom anion	²D	K_h
56	C⁺	Carbon atom cation	²P	K_h
57	Si	Silicon atom	³P	K_h
58	Si^-	Silicon atom anion	⁴S	K_h
59	Si⁺	Silicon atom cation	²P	K_h
60	Ge	Germanium atom	³P	K_h
61	Ge^-	Germanium anion	⁴S	K_h
62	Sn	Tin atom
63	Sn⁺	Tin cation
64	CH	Methylidyne	²Π_1/2	C_∞v
65	SiH	Silylidyne	²Π	C_∞v
66	SiH^-	silicon monohydride anion	³Σ	C_∞v
67	GeH	germylidene	²Π	C_∞v
68	CH₂	Methylene	³B₁	C_2v
69	CH₂	Methylene	³Σ_G	D_∞h
70	CH₂^-	methylene anion	²B₁	C_2v
71	CH₂⁺	methylene cation	²A₁	C_2v
72	CH₂⁺	methylene cation	²Π	D_∞h
73	SiH₂	silicon dihydride	³B₁	C_2v
74	SiH₂^-	silicon dihydride anion	²B₁	C_2v
75	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
76	GeH₂	germylene	¹A₁	C_2v
77	GeH₂^-	germylene anion	²B₁	C_2v
78	CH₃	Methyl radical	²A₁	D_3h
79	SiH₃	Silyl radical	²A₁	C_3v
80	SiH₃^-	Silyl anion	¹A₁	C_3v
81	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
82	GeH₃	Germyl radical	²A₁	C_3v
83	GeH₃⁺	germyl cation	¹A₁^'	D_3h
84	N	Nitrogen atom	⁴S	K_h
85	N	Nitrogen atom	²D	K_h
86	N^-	Nitrogen atom anion	³S	K_h
87	N⁺	Nitrogen atom cation	³P	K_h
88	P^-	Phosphorus atom anion	³P	K_h
89	P⁺	Phosphorus atom cation	³P	K_h
90	V	Vanadium atom	⁴F	K_h
91	V⁺	Vanadium atom cation	⁵D	K_h
92	As	Arsenic atomic	⁴S	K_h
93	As^-	Arsenic anion	³P	K_h
94	As⁺	Arsenic cation	³P	K_h
95	Sb	Antimony atom
96	PH	phosphorus monohydride	³Σ^-	C_∞v
97	AsH	Arsenic monohydride	³Σ	C_∞v
98	SbH	Antimony monohydride
99	NH₂	Amino radical	²B₁	C_2v
100	NH₂⁺	Amino cation	³B₁	C_2v
101	PH₂^-	Phosphino anion	¹A₁	C_2v
102	PH₂⁺	Phosphino cation	¹A₁	C_2v
103	AsH₂	Arsenic dihydride	²A₁	C_2v
104	NH₃^-	Ammonia anion	²A₁	C_3v
105	NH₃⁺	ammonia cation	²A₂^"	D_3h
106	PH₃⁺	Phosphine cation	²A₁	C_3v
107	AsH₃⁺	Arsine cation	²A₁	C_3v
108	NH₄	Ammonium radical
109	PH₄	Phosphoranyl radical
110	O	Oxygen atom	³S	K_h
111	O^-	Oxygen atom anion	²P	K_h
112	O⁺	Oxygen atom cation	⁴S	K_h
113	S^-	Sulfur atom anion	²P	K_h
114	S⁺	Sulfur atom cation	⁴S	K_h
115	Se	Selenium atom	³P	K_h
116	Se^-	Selenium atom anion	²P	K_h
117	Se⁺	Selenium atom cation	⁴S	K_h
118	Te	Tellurium atom
119	Te⁺	Tellurium atom cation
120	OH	Hydroxyl radical	²Π	C_∞v
121	OH^-	hydroxide anion	¹Σ	C_∞v
122	OH⁺	hydoxyl cation	³Σ	C_∞v
123	HS	Mercapto radical	²Π	C_∞v
124	HS^-	mercapto anion	¹Σ	C_∞v
125	HS⁺	sulfur monohydride cation	³Σ	C_∞v
126	CrH	Chromium hydride	⁶Σ	C_∞v
127	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
128	HSe	Selenium monohydride	²Π	C_∞v
129	HSe⁺	selenium monohydride cation	³Σ	C_∞v
130	TeH	Telluryl radical
131	H₂O^-	water anion	²A₁	C_2v
132	H₂O^-	water anion	²A^'	C_s
133	H₂O⁺	water cation	²B₁	C_2v
134	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
135	H₂Se	Hydrogen selenide	¹A₁	C_2v
136	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
137	H₃S⁺	Sulfonium cation	¹A₁	C_3v
138	F	Fluorine atom	²P	K_h
139	F⁺	Fluorine atom cation	¹D	K_h
140	Cl^-	Chlorine atom anion	¹S	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	I^-	Iodine atom anion	¹S	K_h
146	I⁺	Iodine atom cation	³P	K_h
147	HF^-	hydrogen fluoride anion	²Σ	C_∞v
148	HF⁺	hydrogen fluoride cation	²Π	C_∞v
149	HCl^-	hydrogen chloride anion	²Σ	C_∞v
150	HCl⁺	hydrogen chloride cation	²Π	C_∞v
151	HBr⁺	hydrogen bromide cation	²Π	C_∞v
152	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
153	Ne⁺	Neon atom cation	²P	K_h
154	Ar⁺	Argon atom cation	²P	K_h
155	NeH	neon hydrogen	²Σ	C_∞v
156	ArH⁺	Argon hydride cation	¹Σ	C_∞v
157	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
158	NaK⁺	Sodium Potassium diatomic cation		1
159	LiBe	Lithium Beryllium	²Σ	C_∞v
160	LiMg	Lithium magnesium	²Σ	C_∞v
161	NaBe	Sodium Beryllium	²Σ	C_∞v
162	NaMg	Sodium Magnesium	²Σ	C_∞v
163	Be₂	Beryllium diatomic	³Π_g	D_∞h
164	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
165	LiB	Lithium boride	³Π	C_∞v
166	NaAl	Sodium aluminum	¹Σ	C_∞v
167	BeB	Beryllium monoboride	²Π	C_∞v
168	B₂	Boron diatomic	³Σ_g	D_∞h
169	BAl	Boron Aluminum	³Σ	C_∞v
170	BGa	Boron Gallium	³Σ	C_∞v
171	AlGa	Aluminum Gallium	³Σ	C_∞v
172	Ga₂	Gallium diatomic	³P_iu
173	HBBH	Diborane(2)	³Σ_G	D_∞h
174	B₂H₆⁺	Diborane cation
175	LiC	Lithium Carbide	⁴Σ	C_∞v
176	BeC	Beryllium Carbide	³Σ^-	C_∞v
177	BeC	Beryllium Carbide
178	CaC	Calcium monocarbide
179	BC	boron monocarbide	⁴Σ^-	C_∞v
180	BC^-	boron monocarbide anion	³Π_u	C_∞v
181	AlC	Aluminum carbide	⁴Σ	C_∞v
182	BSi	Boron silicide	⁴Σ	C_∞v
183	BSi	Boron silicide	²Σ	C_∞v
184	C₂	Carbon diatomic	³Π_u	D_∞h
185	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
186	SiC	silicon monocarbide	³Σ	C_∞v
187	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
188	SiC⁺	silicon monocarbide cation	²Π	C_∞v
189	GeC	Germanium monocarbide	¹Σ	C_∞v
190	SiGe	Silicon Germanium
191	Ge₂	Germanium diatomic	³Σ_g	D_∞h
192	C₂H	Ethynyl radical	²Σ	C_∞v
193	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
194	CCH₂	vinylidene	³B₂	C_2v
195	H₂CC^-	vinylidene anion
196	HCCH^-	acetylene anion
197	HCCH^-	acetylene anion
198	C₂H₃	vinyl	²A^'	C_s
199	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
200	C₂H₄^-	Ethylene anion	²B_2g	D_2h
201	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
202	C₂H₄⁺	Ethylene cation	²B₃	D₂
203	CH₃CH	methylmethylene	³A^"	C_s
204	C₂H₅	Ethyl radical	²A^'	C_s
205	LiN	Lithium Nitride	³Σ	C_∞v
206	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
207	LiP	Lithium monophosphide
208	BeN	Beryllium mononitride	⁴Σ	C_∞v
209	BeN	Beryllium mononitride	²Π	C_∞v
210	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
211	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
212	MgN	Magnesium Nitride
213	MgN	Magnesium Nitride
214	BP	Boron monophosphide	³Π	C_∞v
215	AlP	Aluminum monophosphide	³Σ	C_∞v
216	AlP	Aluminum monophosphide	³Π	C_∞v
217	GaN	Gallium mononitride	³Π	C_∞v
218	GaP	Gallium monophosphide	³Σ	C_∞v
219	GaAs	Gallium arsenide	³Π
220	GaAs	Gallium arsenide	¹Σ
221	BN	boron nitride	³Π	C_∞v
222	CN	Cyano radical	²Σ	C_∞v
223	SiP	Silicon monophosphide	²Π	C_∞v
224	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
225	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
226	N₂	Nitrogen diatomic
227	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
228	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
229	HNB	hydrogen nitrogen boron	²Σ	C_∞v
230	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
231	HNC⁺	hydrogen isocyanide cation
232	HCP⁺	Phosphaethyne cation
233	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
234	CNH₂	Aminomethylidyne radical	²B₂	C_2v
235	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
236	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
237	HCNH	methyleneazane	²A^'	CS cis
238	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
239	CH₂NH⁺	Methanimine cation
240	CHNH₂⁺	Aminocarbene cation
241	N₂H₄⁺	hydrazine cation	²A_G	C_2h
242	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
243	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
244	LiO	lithium oxide	²Σ	C_∞v
245	LiO^-	lithium oxide anion	³Σ	C_∞v
246	LiO⁺	lithium oxide cation	³Σ	C_∞v
247	LiS	Lithium monosulfide	²Π	C_∞v
248	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
249	NaO	sodium monoxide	²Σ	C_∞v
250	KO	Potassium monoxide	²Σ	C_∞v
251	NaS	Sodium sulfide	²Π	C_∞v
252	LiSe	Lithium monoselenide
253	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
254	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
255	BO	boron monoxide	²Σ	C_∞v
256	BO^-	boron monoxide anion	¹Σ	C_∞v
257	ScO	Scandium monoxide	²Σ	C_∞v
258	GaO	Gallium monoxide	²Σ	C_∞v
259	GaS	Gallium monosulfide
260	CO	Carbon monoxide	³Π	C_∞v
261	CO^-	carbon monoxide anion	²Π	C_∞v
262	CO⁺	carbon monoxide cation	²Σ	C_∞v
263	TiO	Titanium monoxide	³Δ	C_∞v
264	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
265	SiSe⁺	Silicon Monoselenide cation
266	NO	Nitric oxide	²Π	C_∞v
267	NO^-	nitric oxide anion	³Σ	C_∞v
268	NS	Mononitrogen monosulfide	²Π	C_∞v
269	NS^-	nitrogen sulfide anion	³Σ	C_∞v
270	PO	Phosphorus monoxide	²Π	C_∞v
271	PS	phosphorus sulfide	²Σ	C_∞v
272	VO	Vanadium monoxide	⁴Σ^-
273	AsO	Arsenic monoxide	²Π	C_∞v
274	NSe	Nitrogen monoselenide	²Π	C_∞v
275	AsS	Arsenic monosulfide	²Π	C_∞v
276	PSe	Phosphorus monoselenide	²Π	C_∞v
277	AsSe	Arsenic monoselenide	²Π	C_∞v
278	O₂	Oxygen diatomic	³Σ_g	D_∞h
279	O₂^-	oxygen diatomic anion	²Π	D_∞h
280	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
281	SO	Sulfur monoxide	³Σ	C_∞v
282	SO	Sulfur monoxide	¹Σ	C_∞v
283	SO⁺	sulfur monoxide cation	²Π	C_∞v
284	S₂	Sulfur diatomic	³Σ_g	D_∞h
285	SeO	Selenium monoxide	³Σ	C_∞v
286	TeO	Tellurium monoxide
287	Se₂	Selenium diatomic	³Σ_g	D_∞h
288	Te₂	Tellurium diatomic
289	BeOH	beryllium monohydroxide	²A^'	C_s
290	COH	Hydroxymethylidyne
291	HCO	Formyl radical	²A^'	C_s
292	HCO^-	formyl anion	¹A^'	C_s
293	HCO⁺	Formyl cation	¹Σ	C_∞v
294	HCS⁺	Thioformyl cation	¹Σ	C_∞v
295	HNO	Nitrosyl hydride	¹A^'	C_s
296	HNO^-	Nitrosyl hydride anion	²A^"	C_s
297	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
298	NOH	Hydroxyimidogen	³A^"	C_s
299	NOH⁺	O-protonated nitric oxide	²A^'	C_s
300	HNS^-	Sulfur imide anion	²A	C_s
301	HO₂	Hydroperoxy radical	²A^"	C_s
302	HO₂^-	Hydroperoxy anion	¹A^'	C_s
303	HO₂⁺	Hydroperoxy cation	³A^"	C_s
304	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
305	SOH	Sulfur Hydroxide
306	SOH⁺	Sulfur Monoxide, protonated
307	HS₂	Thiosulfeno radical	²A^"	C_s
308	H₂CO^-	formaldehyde anion	²A^'	C_s
309	H₂CO^-	formaldehyde anion
310	H₂CO⁺	formaldehyde cation	²B₂	C_2v
311	H₂CS^-	thioformaldehyde anion
312	H₂CS^-	thioformaldehyde anion
313	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
314	H₂NO	nitroxide	²B₁	C_2v
315	H₂NO	nitroxide	²A^'	C_s
316	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
317	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
318	CH₂OH	Hydroxymethyl radical	²A	C₁
319	CH₃O⁺	Methoxy cation	³A₁	C_3v
320	NH₂OH⁺	Hydroxylamine cation
321	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
322	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
323	CH₃SH⁺	Methanethiol cation	²A^"	C_s
324	NH₂OH₂⁺	protonated hydroxylamine
325	NH₃OH⁺	N-protonated hydroxylamine
326	NaF⁺	sodium fluoride cation	²Σ	C_∞v
327	LiF^-	lithium fluoride anion	²Σ	C_∞v
328	LiF⁺	lithium fluoride cation	²Π	C_∞v
329	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
330	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
331	TiCl	Titanium Monochloride	⁴Σ	C_∞v
332	ZnF	Zinc monofluoride	²Σ	C_∞v
333	ZnCl	Zinc monochloride	²Σ	C_∞v
334	CaBr	Calcium monobromide
335	GaF	Gallium monofluoride	¹Σ	C_∞v
336	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
337	GaCl	Gallium monochloride	¹Σ_G	C_∞v
338	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
339	CF	Fluoromethylidyne	²Π	C_∞v
340	SiF	silicon monofluoride	²Π	C_∞v
341	SiF^-	silicon monofluoride anion	³Σ	C_∞v
342	SiCl	Clorosilylidyne	²Π	C_∞v
343	CBr	Carbon monobromide	²Π	C_∞v
344	GeF	Germanium monofluoride	²Π	C_∞v
345	GeCl	Germanium monochloride	²Π	C_∞v
346	SiBr	Silicon monobromide	²Π	C_∞v
347	SiBr⁺	Silicon monobromide cation
348	NCl	nitrogen monochloride	³Σ	C_∞v
349	NCl^-	nitrogen monochloride anion	²Π	C_∞v
350	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
351	AsF	Arsenic monofluoride	³Σ	C_∞v
352	NBr	nitrogen monobromide	³Σ^-	C_∞v
353	AsCl	Arsenic monochloride	³Σ	C_∞v
354	PBr	Phosphorus monobromide
355	FO	Oxygen monofluoride	²Π	C_∞v
356	ClO	Monochlorine monoxide	²Π	C_∞v
357	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
358	SF	Monosulfur monofluoride	²Π	C_∞v
359	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
360	SCl	sulfur monochloride	²Π	C_∞v
361	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
362	BrO	Bromine monoxide	²Π	C_∞v
363	BrO⁺	Bromine monoxide cation
364	SeF	Selenium monofluoride	²Π	C_∞v
365	SBr	Sulfur monobromide radical
366	SBr⁺	Sulfur monobromide cation
367	SeCl	Selenium monochloride	²Π	C_∞v
368	IO	Iodine monoxide
369	SeBr	Selenium monobromide
370	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
371	ClF⁺	clorine monofluoride cation	²Π	C_∞v
372	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
373	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
374	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
375	I₂⁺	Iodine diatomic cation	²Π_g	D_∞v
376	HCF	Fluoromethylene	³A^"	C_s
377	HCCl	Chloromethylene	³A^"	C_s
378	CHBr	bromomethylene	³A^"	C_s
379	HOCl⁺	hypochlorous acid cation
380	HOBr⁺	Hypobromous acid cation	²A^"	C_s
381	CH₂Br	bromomethyl radical	²A^'	C_s
382	CH₂Br	bromomethyl radical
383	CH₂F	fluoromethyl radical	²A	C_s
384	CH₂Cl	chloromethyl radical	²A^'	C_s
385	CH₂Cl	chloromethyl radical	²B₁	C_2v
386	CH₃F⁺	methyl fluoride cation
387	CH₃Cl⁺	Methyl chloride cation
388	CH₃Br	methyl bromide	¹A₁	C_3v
389	Li₃	Lithium trimer	²B₂	C_2v
390	C₃	carbon trimer	¹A₁	C_2v
391	C₃H₃	cyclopropenyl radical	²A^'	C_s
392	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
393	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
394	CH₃CHCH	1-propenyl radical	²A^'	C_s
395	C₃H₇	n-Propyl radical	²A^"	C₁
396	CH₃CHCH₃	Isopropyl radical	²A	C₂
397	LiCN	lithium cyanide	¹Σ	C*V LiCN
398	KCN	Potassium cyanide	¹Σ	C_∞v
399	ZnCN	Zinc monocyanide	²Σ	C_∞v
400	ZnNC	Zinc isocyanide	²Σ	C_∞v
401	CNN	Diazocarbene
402	NCN	Cyanoimidogen	³Σ_g	D_∞h
403	N₃	azide radical	²Π_g	D_∞h
404	N₃⁺	azide cation	³Σ_g	D_∞h
405	N₃⁺	azide cation	³Σ	C_∞v
406	HCCN	cyanomethylene	³A^"	C_s
407	HCCN	cyanomethylene
408	HN₃	hydrogen azide	¹A^'	C_s
409	HN₃⁺	Hydrazoic acid cation
410	CH₃CN^-	acetonitrile anion	²E	C_3v
411	CH₃CN^-	acetonitrile anion	²A^'	C_s
412	HCNCH₂⁺	2H-Azirine cation
413	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
414	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
415	LiO₂	Lithium dioxide
416	NaO₂	Sodium superoxide
417	CCO	Dicarbon monoxide	³Σ	C_∞v
418	NCO	isocyanato radical	²Π	C_∞v
419	SCN	thiocyanato radical	²Π	C_∞v
420	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
421	N₂O^-	Nitrous oxide anion	²A^'	C_s
422	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
423	CO₂^-	Carbon dioxide anion	²A₁	C_2v
424	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
425	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
426	CS₂^-	Carbon disulfide anion	²A₁	C_2v
427	NO₂	Nitrogen dioxide	²A₁	C_2v
428	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
429	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
430	NSO	sulfinyl amidogen
431	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
432	SNO	Nitrogen oxide sulfide
433	AsO₂	Aresenic dioxide	²A₁	C_2v
434	O₃⁺	Ozone cation	²A₁	C_2v
435	SO₂	Sulfur dioxide	¹A₁	C_2v
436	S₃^-	Sulfur trimer anion	²B₁	C_2v
437	S₃⁺	Sulfur trimer cation	²B₂	C_2v
438	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
439	HCCO	ketenyl radical	²Π	C_∞v
440	HCCO	ketenyl radical	²A^"	C_s
441	HCOO	formate neutral radical	²A^'	C_s
442	HOCO	Hydrocarboxyl radical	¹A^'	cis
443	HOCO	Hydrocarboxyl radical	¹A^'	trans
444	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
445	HNO₂⁺	nitrous acid cation	²A^'	C_s
446	CH₂CO⁺	Ketene cation	²B₁	C_2v
447	Be(OH)₂	Beryllium hydroxide
448	CH₂CHO	Vinyloxy radical	²A^"	C_s
449	CH₂OOH	CH2OOH radical	²A	C₁
450	C₂H₄O⁺	ethylene oxide cation
451	CH₃CHO⁺	acetaldehyde cation
452	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
453	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
454	CH₃CH₂O	Ethoxy radical	²A^'	C_s
455	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
456	CH₃OCH₂	methoxymethyl radical	²A	C₁
457	CH₃SCH₃⁺	dimethyl sulfide cation
458	CuF₂	Copper difluoride	²Π_g	D_∞h
459	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
460	ICN	Cyanogen iodide	¹Σ	C_∞v
461	FCO	Carbonyl fluoride	²A^'	C_s
462	ClCO	carbonyl monochloride	²A^'	C_s
463	BF₂	Boron difluoride radical	²A₁	C_2v
464	CF₂	Difluoromethylene	³B₁	C_2v
465	CF₂^-	Difluoromethylene anion	²B₁	C_2v
466	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
467	SiF₂	Silicon difluoride	³B₁	C_2v
468	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
469	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
470	CBr₂	dibromomethylene	³B₁	C_2v
471	FOO⁺	Fluorine dioxide cation
472	ClOO⁺	chloroperoxy cation	¹A^'	C_s
473	OClO	Chlorine dioxide	²B₁	D_∞h
474	OClO^-	Chlorine dioxide anion	¹A^'	C_s
475	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
476	ClSO	Sulfur chloride oxide	²A^"	C_s
477	BrOO	Bromine dioxide
478	OBrO	Bromine dioxide radical	²B₁	C_2v
479	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
480	PF₂	Phosphorus difluoride
481	SF₂^-	sulfur difluoride anion	²A^'	C_s
482	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
483	I₃^-	triiodide
484	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
485	HFCO⁺	formyl fluoride cation	²A^'	C_s
486	CHCl₂	dichloromethyl radical	²B₁	C_2v
487	CHCl₂	dichloromethyl radical	²A^'	C_s
488	CHF₂	difluoromethyl radical	²A	C_s
489	CHFCl	Chlorofluoromethyl radical
490	CHBr₂	dibromomethyl radical
491	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
492	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
493	CHClCH₃	1-chloroethyl radical	²A	C₁
494	C₄	Carbon tetramer	³Σ_g	D_∞h
495	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
496	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
497	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
498	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
499	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
500	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
501	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
502	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
503	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
504	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
505	HCO₃^-	bicarbonate anion
506	HSO₃	Hydroxysulfonyl radical	²A	C₁
507	C₂H₂O₂	Ethanedial	¹A_g	C_2h
508	CH₃COCH₂	Acetonyl radical	²A^"	C_s
509	C₂H₅OO	ethylperoxy radical	²A^'	C_s
510	CH₃COCH₃^-	acetone anion	²A^'	C_s
511	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
512	ClONO	chlorine nitrite	¹A^'	CS cis
513	CF₂O⁺	Carbonic difluoride cation
514	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
515	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
516	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
517	BF₃⁺	boron trifluoride cation
518	BCl₃⁺	Boron Trichloride cation
519	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
520	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
521	CF₂Cl	difluorochloromethyl radical
522	SiF₃	Silicon trifluoride radical	²A₁	C_3v
523	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
524	CFCl₂	dichlorofluoromethyl radical
525	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
526	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
527	CBr₃	tribromomethyl radical
528	NF₃	Nitrogen trifluoride	¹A₁	C_3v
529	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
530	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
531	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
532	SF₃	Sulfur trifluoride	²A^'	C_s
533	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
534	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
535	C₄H₄N	pyrrolide radical	²A₂	C_2v
536	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
537	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
538	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
539	XeF₄	Xenon tetrafluoride
540	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
541	SF₅	Sulfur pentafluoride	²A₁	C_4v
542	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
543	C₆H₅O	phenoxy radical	²B₁	C_2v
544	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
545	C₆H₅CHO	benzaldehyde	¹A^'	C_s

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	HD	Deuterium hydride	hd
8	H₃⁺	hydrogen trimer cation	h3+
9	He	Helium atom	he
10	He^-	Helium atom anion	he-
11	HeH	Helium hydride	heh
12	Li^-	Lithium atom anion	li-
13	Na⁺	Sodium atom cation	na+
14	Cu	Copper atom	cu
15	Cu^-	Copper atom anion	cu-
16	LiH	Lithium Hydride	lih
17	LiH^-	lithium hydride anion	lih-
18	NaH	sodium hydride	nah
19	NaH^-	sodium hydride anion	nah-
20	CuH	Copper monohydride	cuh
21	Be	Beryllium atom	be
22	Be^-	Beryllium atom anion	be-
23	Mg	Magnesium atom	mg
24	Ca	Calcium atom	ca
25	Zn	Zinc atom	zn
26	Zn^-	Zinc atom anion	zn-
27	Zn⁺	Zinc atom cation	zn+
28	BeH^-	berylium monohydride anion	beh-
29	BeH⁺	beryllium monohydride cation	beh+
30	MgH^-	magnesium monohydride anion	mgh-
31	MgH⁺	magnesium monohydride cation	mgh+
32	CaH	Calcium monohydride	cah
33	CaH⁺	Calcium monohydride cation	cah+
34	ZnH	Zinc monohydride	znh
35	ZnH⁺	Zinc, protonated	znh+
36	BeH₂	beryllium dihydride	beh2
37	MgH₂	magnesium dihydride	mgh2
38	CaH₂	Calcium Hydride	cah2
39	ZnH₂	Zinc hydride	znh2
40	B^-	Boron atom anion	b-
41	Sc⁺	Scandium cation	sc+
42	Ga^-	Gallium atom anion	ga-
43	BH	Boron monohydride	bh
44	BH^-	boron monohydride anion	bh-
45	BH⁺	boron monohydride cation	bh+
46	AlH	aluminum monohydride	alh
47	AlH^-	aluminum monohydride anion	alh-
48	AlH⁺	aluminum monohydride cation	alh+
49	ScH	Scandium monohydride	sch
50	GaH	Gallium monohydride	gah
51	BH₂	boron dihydride	bh2
52	BH₂⁺	Boron dihydride cation	bh2+
53	AlH₂	aluminum dihydride	alh2
54	BH₃	boron trihydride	bh3
55	BH₃^-	boron trihydride anion	bh3-
56	AlH₃	aluminum trihydride	alh3
57	GaH₃	Gallium trihydride	gah3
58	AlH₄^-	Aluminum tetrahydride anion	alh4-
59	C^-	Carbon atom anion	c-
60	Ti	Titanium atom	ti
61	Ti^-	Titanium atom anion	ti-
62	Ti⁺	Titanium atom cation	ti+
63	Ge⁺	Germanium cation	ge+
64	CH^-	methylidyne anion	ch-
65	CH⁺	Methylidyne cation	ch+
66	SiH⁺	silicon monohydride cation	sih+
67	GeH⁺	Germaniun monohyrdide cation	geh+
68	SiH₂	silicon dihydride	sih2
69	CH₃^-	methyl anion	ch3-
70	CH₃⁺	methyl cation	ch3+
71	CD₄	methane-d4	cd4
72	CH₂D₂	methane-d2	ch2d2
73	CH₃D	methane-d	ch3d
74	CH₄	Methane	ch4
75	CH₄^-	Methane anion	ch4-
76	CH₄⁺	Methane cation	ch4+
77	CHD₃	methane-d3	chd3
78	SiH₂D₂	silane-d2	sih2d2
79	SiH₄	Silane	sih4
80	SiH₄⁺	Silane cation	sih4+
81	GeH₄	Germane	geh4
82	SnH₄	Stannane	snh4
83	SiH₅⁺	Silane, protonated	sih5+
84	P	Phosphorus atom	p
85	NH	Imidogen	nh
86	NH^-	Imidogen anion	nh-
87	NH⁺	imidogen cation	nh+
88	PH^-	phosphorus monohydride anion	ph-
89	PH⁺	phosphorus monohydride cation	ph+
90	AsH⁺	Arsenic monohydride cation	ash+
91	ND₂	Amidogen-d2	nd2
92	NH₂^-	amino anion	nh2-
93	PH₂	Phosphino radical	ph2
94	AsH₂⁺	Arsenic dihydride cation	ash2+
95	ND₃	Ammonia-d3	nd3
96	NH₃	Ammonia	nh3
97	PH₃	Phosphine	ph3
98	AsH₃	Arsine	ash3
99	SbH₃	Stibine	sbh3
100	AsH₄⁺	Arsonium	ash4+
101	NH₄⁺	ammonium cation	nh4+
102	PH₄⁺	phosphonium cation	ph4+
103	S	Sulfur atom	s
104	Cr	Chromium atom	cr
105	DO	Hydroxyl-d	od
106	DS	Mercapto-d	ds
107	HSe^-	selenium monohydride anion	hse-
108	D₂O	Deuterium oxide	d2o
109	H₂O	Water	h2o
110	HDO	Water-d1	hdo
111	D₂S	Hydrogen sulfide-d2	d2s
112	H₂S	Hydrogen sulfide	h2s
113	H₂S^-	Hydrogen sulfide anion	h2s-
114	H₂Te	Hydrogen Telluride	h2te
115	H₃O⁺	hydronium cation	h3o+
116	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
117	F^-	Fluorine atom anion	f-
118	F⁺	Fluorine atom cation	f+
119	Cl	Chlorine atom	cl
120	Cl⁺	Chlorine atom cation	cl+
121	Mn	Manganese atom	mn
122	I	Iodine atom	iodine
123	DF	Hydrofluoric acid-d	df
124	HF	Hydrogen fluoride	hf
125	DCl	Hydrochloric acid-d	dcl
126	HCl	Hydrogen chloride	hcl
127	HBr	hydrogen bromide	hbr
128	HBr^-	hydrogen bromide anion	hbr-
129	HI	Hydrogen iodide	hi
130	HI⁺	Hydrogen iodide cation	hi+
131	H₂F⁺	dihydrogen fluoride cation	h2f+
132	H₂Br⁺	protonated hydrogen bromide	h2br+
133	H₂I⁺	Iodonium	h2i+
134	Ne	Neon atom	ne
135	Ne^-	Neon atom anion	ne-
136	Ar	Argon atom	ar
137	Ar^-	Argon atom anion	ar-
138	Fe	Iron atom	fe
139	Kr	Krypton atom	kr
140	Kr⁺	Krypton cation	kr+
141	Xe	Xenon atom	xe
142	HeLi⁺	Helium Lithium cation	heli+
143	NeH⁺	neon hydrogen cation	neh+
144	KrH⁺	Protonated Krypton	krh+
145	XeH⁺	Xenon, protonated	xeh+
146	H₂Ar	H2 Ar dimer	h2ar
147	Co	Cobalt atom	cobalt
148	Ni	Nickel atom	ni
149	Li₂	Lithium diatomic	li2
150	Li₂^-	lithium diatomic anion	li2-
151	Li₂⁺	lithium diatomic cation	li2+
152	NaLi	lithium sodium	lina
153	NaLi^-	lithium sodium anion	lina-
154	NaLi⁺	lithium sodium cation	lina+
155	LiK	Lithium Potassium	lik
156	Na₂	Sodium diatomic	na2
157	Na₂^-	sodium diatomic anion	na2-
158	NaK	Sodium Potassium	nak
159	K₂	Potassium diatomic	k2
160	Cu₂	Copper diatomic	cu2
161	Be₂	Beryllium diatomic	be2
162	Be₂⁺	Beryllium diatomic cation	be2+
163	BeMg	Beryllium Magnesium	bemg
164	Mg₂	Magnesium diatomic	mg2
165	Mg₂^-	magnesium diatomic anion	mg2-
166	Mg₂⁺	magnesium diatomic cation	mg2+
167	Ca₂	Calcium diatomic	ca2
168	LiAl	Lithium Aluminum	lial
169	B₂^-	Boron diatomic anion	b2-
170	B₂⁺	Boron diatomic cation	b2+
171	Al₂	Aluminum diatomic	al2
172	Al₂^-	aluminum diatomic anion	al2-
173	Al₂⁺	aluminum diatomic cation	al2+
174	AlGa	Aluminum Gallium	alga
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	BC⁺	boron monocarbide cation	bc+
182	C₂	Carbon diatomic	c2
183	C₂^-	carbon diatomic anion	c2-
184	Si₂	Silicon diatomic	si2
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	CCH₂	vinylidene	vinylidene
192	Si₂H₂	disilyne	si2h2
193	CH₃Li	methyl lithium	ch3li
194	CuCH₃	monomethyl copper	cuch3
195	ZnCH₃	Zinc monomethyl	znch3
196	CH₂BH	methyleneborane	ch2bh
197	C₂H₃^-	vinyl anion	c2h3-
198	C₂H₄	Ethylene	c2h4
199	CH₂SiH₂	silaethylene	ch2sih2
200	Si₂H₄	Disilene	si2h4
201	CH₃BH₂	methylborane	ch3bh2
202	C₂H₅^-	Ethyl anion	c2h5-
203	C₂H₅⁺	Ethyl cation	c2h5+
204	C₂H₆	Ethane	c2h6
205	C₂H₆⁺	ethane cation	c2h6+
206	CH₃SiH₃	methyl silane	ch3sih3
207	Si₂H₆	disilane	si2h6
208	GeH₃CH₃	methyl germane	geh3ch3
209	C₂H₇⁺	Ethane, protonated	c2h7+
210	BeN⁺	Beryllium mononitride cation	ben+
211	BN^-	boron nitride anion	bn-
212	AlN^-	aluminum mononitride anion	aln-
213	AlN⁺	aluminum mononitride cation	aln+
214	BN⁺	boron nitride cation	bn+
215	AlN	Aluminum nitride	aln
216	CN^-	cyanide anion	cn-
217	CN⁺	Cyano cation	cn+
218	CP	Carbon monophosphide	cp
219	CP^-	carbon monophosphide anion	cp-
220	CP⁺	carbon monophosphide cation	cp+
221	SiN	Silicon nitride	sin
222	SiN^-	silicon mononitride anion	sin-
223	SiN⁺	silicon mononitride cation	sin+
224	TiN	Titanium mononitride	tin
225	N₂	Nitrogen diatomic	n2
226	PN	Phosphorus mononitride	pn
227	PN^-	phosphorus nitride anion	pn-
228	PN⁺	phosphorus nitride cation	pn+
229	P₂	Phosphorus diatomic	p2
230	P₂^-	phosphorus diatomic anion	p2-
231	P₂⁺	phosphorus diatomic cation	p2+
232	AsN	Arsenic mononitride	asn
233	AsP	Arsenic monophosphide	asp
234	SbN	Antimony nitride	sbn
235	As₂	Arsenic diatomic	as2
236	HNC	hydrogen isocyanide	hnc
237	HCN	Hydrogen cyanide	hcn
238	HCN^-	Hydrogen cyanide anion	hcn-
239	HCP	Phosphaethyne	hcp
240	NNH	Dinitrogen monohydride	nnh
241	NNH⁺	Dinitrogen monohydride cation	nnh+
242	HPO	Hydrogen phosphorus oxide	hpo
243	LiNH₂	lithium amide	linh2
244	HBNH	Boranimine	hbnh
245	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
246	HCNH⁺	N-protonated HCN	hcnh+
247	H₂NN	Isodiazene	h2nn
248	N₂H₂	(E)-diazene	n2h2
249	N₂H₂	(Z)-Diazene	n2h2z
250	CH₂NH	Methanimine	ch3n
251	CHNH₂	aminomethylene	chnh2
252	CH₂PH	Phosphaethene	ch3p
253	BH₂NH₂	Boranamine	bh2nh2
254	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
255	N₂H₄	Hydrazine	n2h4
256	P₂H₄	Diphosphine	p2h4
257	CH₃NH₂	methyl amine	ch3nh2
258	CH₃PH₂	Methyl phosphine	ch3ph2
259	SiH₃NH₂	Silane, amino	sih3nh2
260	N₂H₅⁺	protonated hydrazine	n2h5+
261	BH₃PH₃	borane phosphine	bh3ph3
262	BH₃NH₃	borane ammonia	bh3nh3
263	CH₃NH₃⁺	protonated methylamine	ch3nh3+
264	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
265	NH₃NH₃	Ammonia Dimer	nh3nh3
266	N₂H₇⁺	ammonia ammonium dimer	n2h7+
267	LiO^-	lithium oxide anion	lio-
268	NaO^-	sodium oxide anion	nao-
269	NaO⁺	sodium oxide cation	nao+
270	KO⁺	Potassium monoxide cation	ko+
271	CuO	Copper Monoxide	cuo
272	BeO	beryllium oxide	beo
273	BeS	beryllium sulfide	bes
274	MgO	magnesium oxide	mgo
275	MgO^-	magnesium oxide anion	mgo-
276	MgO⁺	magnesium oxide cation	mgo+
277	CaO	Calcium monoxide	cao
278	MgS	magnesium sulfide	mgs
279	MgS^-	magnesium sulfide anion	mgs-
280	MgS⁺	magnesium sulfide cation	mgs+
281	CaS	Calcium sulfide	cas
282	ZnO	zinc monoxide	zno
283	ZnS	Zinc sulfide	zns
284	BeS^-	Beryllium monosulfide anion	bes-
285	BeS⁺	Beryllium monosulfide cation	bes+
286	AlO	Aluminum monoxide	alo
287	AlO^-	Aluminum monoxide anion	alo-
288	AlO⁺	aluminum monoxide cation	alo+
289	BS	boron sulfide	bs
290	BS^-	boron monosulfide anion	bs-
291	BS⁺	boron monosulfide cation	bs+
292	AlS	Aluminum sulfide	als
293	AlS^-	aluminum monosulfide anion	als-
294	AlS⁺	aluminum monosulfide cation	als+
295	BO⁺	boron monoxide cation	bo+
296	CO	Carbon monoxide	co
297	CS	carbon monosulfide	cs
298	CS^-	carbon monosulfide anion	cs-
299	CS⁺	carbon monosulfide cation	cs+
300	SiO	Silicon monoxide	sio
301	SiO^-	silicon monoxide anion	sio-
302	SiO⁺	silicon monoxide cation	sio+
303	SiS	silicon monosulfide	sis
304	SiS^-	silicon monosulfide anion	sis-
305	SiS⁺	silicon monosulfide cation	sis+
306	CSe	Carbon monoselenide	cse
307	CSe^-	Carbon monoselenide anion	cse-
308	CSe⁺	Carbon monoselenide cation	cse+
309	GeO	Germanium monoxide	geo
310	GeS	Germanium monosulfide	ges
311	SiSe	Silicon Monoselenide	sise
312	GeSe	Germanium monoselenide	gese
313	NO⁺	nitric oxide cation	no+
314	NS⁺	nitrogen sulfide cation	ns+
315	PO^-	phosphorus monoxide anion	po-
316	PO⁺	phosphorus monoxide cation	po+
317	PS^-	phosphorus monosulfide anion	ps-
318	PS⁺	phosphorus monosulfide cation	ps+
319	O₂^--	dioxygen dianion	o2--
320	SO^-	sulfur monoxide anion	so-
321	S₂^-	sulfur diatomic anion	s2-
322	S₂⁺	sulfur diatomic cation	s2+
323	SeO^-	selenium monoxide anion	seo-
324	SeO⁺	selenium monoxide cation	seo+
325	SeS	Selenium monosulfide	ses
326	SeS^-	selenium monosulfide anion	ses-
327	SeS⁺	selenium monosulfide cation	ses+
328	Se₂^-	selenium diatomic anion	se2-
329	Se₂⁺	selenium diatomic cation	se2+
330	LiOH	lithium hydroxide	lioh
331	NaOH	sodium hydroxide	naoh
332	KOH	Potassium hydroxide	koh
333	MgOH	magnesium hydroxide	mgoh
334	CaOH	Calcium monohydroxide	caoh
335	HBO	Boron hydride oxide	hbo
336	HBS	hydrogen boron sulfide	hbs
337	COH⁺	Carbon Monoxide, protonated	coh+
338	HCS	Thioformyl radical	hcs
339	HCS^-	Thioformyl anion	hcs-
340	HNS	Sulfur imide	hns
341	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
342	H₂CO	Formaldehyde	h2co
343	HOCH	hydroxycarbene	hoch
344	H₂CS	Thioformaldehyde	h2cs
345	H₂CSe	Selenoformaldehyde	h2cse
346	H₂O₂	Hydrogen peroxide	h2o2
347	H₂OO	water oxide	h2oo
348	HOSH	hydrogen thioperoxide	hosh
349	H₂S₂	Disulfane	h2s2
350	H₂Se₂	hydrogen diselenide	h2se2
351	CH₂OH⁺	hydroxymethyl cation	ch2oh+
352	CH₃O	Methoxy radical	ch3o
353	CH₃O^-	methoxy anion	ch3o-
354	CH₃S	thiomethoxy	ch3s
355	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
356	NH₂OH	hydroxylamine	nh2oh
357	NH₃O	Ammonia Oxide	nh3o
358	H₂POH	Phosphinous acid	h2poh
359	H₃PO	Phosphine oxide	h3po
360	NH₂SH	Thiohydroxylamine	nh2sh
361	NH₃S	sulfidoazane	nh3s
362	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
363	CH₃OH	Methyl alcohol	ch3oh
364	CH₃SH	Methanethiol	ch3sh
365	SiH₃OH	silanol	sih3oh
366	CH₃SeH	Methane selenol	ch3seh
367	H₂OH₂O	water dimer	h2oh2o
368	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
369	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
370	H₂ONH₃	Water Ammonia Dimer	h2onh3
371	H₅O₂⁺	Dihydroxonium ion	h5o2+
372	LiF	lithium fluoride	lif
373	LiCl	lithium chloride	licl
374	LiCl^-	lithium chloride anion	licl-
375	LiCl⁺	lithium chloride cation	licl+
376	NaF	sodium fluoride	naf
377	NaF^-	sodium fluoride anion	naf-
378	KF	Potassium Fluoride	kf
379	NaCl	Sodium Chloride	nacl
380	NaCl^-	sodium chloride anion	nacl-
381	NaCl⁺	sodium chloride cation	nacl+
382	KCl	Potassium Chloride	kcl
383	CuF	Copper monofluoride	cuf
384	LiBr	Lithium Bromide	libr
385	LiBr^-	lithium bromide anion	libr-
386	LiBr⁺	lithium bromide cation	libr+
387	CuCl	Copper monochloride	cucl
388	NaBr	Sodium Bromide	nabr
389	NaBr^-	sodium bromide anion	nabr-
390	NaBr⁺	sodium bromide cation	nabr+
391	KBr	Potassium Bromide	kbr
392	LiI	Lithium Iodide	lii
393	NaI	Sodium Iodide	nai
394	KI	Potassium Iodide	ki
395	BeF	Beryllium monofluoride	bef
396	BeCl	beryllium monochloride	becl
397	MgF	Magnesium monofluoride	mgf
398	MgF^-	magnesium fluoride anion	mgf-
399	MgF⁺	magnesium fluoride cation	mgf+
400	CaF	Calcium monofluoride	caf
401	MgCl	magnesium monochloride	mgcl
402	MgCl^-	magnesium monochloride anion	mgcl-
403	MgCl⁺	magnesium monochloride cation	mgcl+
404	CaCl	calcium monochloride	cacl
405	ZnF^-	Zinc monofluoride anion	znf-
406	ZnF⁺	Zinc monofluoride cation	znf+
407	BeCl^-	beryllium monochloride anion	becl-
408	BeCl⁺	beryllium monochloride cation	becl+
409	BF	Boron monofluoride	bf
410	BF^-	Boron monofluoride anion	bf-
411	BF⁺	Boron monofluoride cation	bf+
412	AlF	Aluminum monofluoride	alf
413	AlF^-	Aluminum monofluoride anion	alf-
414	AlF⁺	Aluminum monofluoride cation	alf+
415	BCl	boron monochloride	bcl
416	BCl^-	boron monochloride anion	bcl-
417	BCl⁺	boron monochloride cation	bcl+
418	AlCl	Aluminum monochloride	alcl
419	AlCl^-	aluminum monochloride anion	alcl-
420	AlCl⁺	aluminum monochloride cation	alcl+
421	ScF	Scandium monofluoride	scf
422	BBr	Boron monobromide	bbr
423	AlBr	Aluminum monobromide	albr
424	AlI	Aluminum monoiodide	ali
425	GaBr	Gallium monobromide	gabr
426	CF^-	carbon monofluoride anion	cf-
427	CF⁺	carbon monofluoride cation	cf+
428	CCl	carbon monochloride	ccl
429	CCl^-	carbon monochloride anion	ccl-
430	CCl⁺	carbon monochloride cation	ccl+
431	SiF⁺	silicon monofluoride cation	sif+
432	SiCl^-	silicon monochloride anion	sicl-
433	SiCl⁺	silicon monochloride cation	sicl+
434	GeF⁺	Germanium monofluoride cation	gef+
435	GeCl⁺	Germanium monochloride cation	gecl+
436	NF	nitrogen fluoride	nf
437	NF^-	nitrogen monofluorine anion	nf-
438	NF⁺	nitrogen monofluoirde cation	nf+
439	PF	phosphorus monofluoride	pf
440	PF^-	phosphorus monofluoride anion	pf-
441	PF⁺	phosphorus monofluoride cation	pf+
442	PCl	phosphorus chloride	pcl
443	PCl^-	phosphorus monochloride anion	pcl-
444	PCl⁺	phosphorus monochloride cation	pcl+
445	SbF	Antimony monofluoride	sbf
446	SbCl	Antimony monochloride	sbcl
447	FO^-	flourine oxide anion	fo-
448	FO⁺	fluorine monoxide cation	fo+
449	ClO^-	chlorine monoxide anion	clo-
450	SF^-	sulfur monofluoride anion	sf-
451	SCl^-	sulfur monochloride anion	scl-
452	BrO^-	Bromine monoxide anion	bro-
453	BrCl	Bromine monochloride	brcl
454	F₂	Fluorine diatomic	f2
455	F₂^-	flourine diatomic anion	f2-
456	ClF	Chlorine monofluoride	clf
457	ClF^-	clorine monofluoride anion	clf-
458	Cl₂	Chlorine diatomic	cl2
459	Cl₂^-	chlorine diatomic anion	cl2-
460	BrF	Bromine monofluoride	brf
461	BrF^-	bromine fluoride anion	brf-
462	BrF⁺	bromine fluoride cation	brf+
463	BrCl^-	bromine chloride anion	brcl-
464	BrCl⁺	bromine chloride cation	brcl+
465	IF	Iodine monofluoride	if
466	Br₂	Bromine diatomic	br2
467	ICl	Iodine monochloride	icl
468	IBr	Iodine monobromide	ibr
469	I₂	Iodine diatomic	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	FHF^-	Hydrogen difluoride anion	fhf-
484	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
485	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
486	Cl₂H⁺	Chlorine, protonated	cl2h+
487	CH₂F⁺	fluoromethyl cation	ch2f+
488	CH₂Cl⁺	chloromethyl cation	ch2cl+
489	NH₂F	monofluoroamine	nh2f
490	NH₂Cl	chloramine	nh2cl
491	H₂F₂	Hydrogen fluoride dimer	h2f2
492	CD₃F	methylfluoride-d3	cd3f
493	CH₃F	Methyl fluoride	ch3f
494	CD₃Cl	methyl chloride d3	cd3cl
495	CH₃Cl	Methyl chloride	ch3cl
496	SiH₃F	monofluorosilane	sih3f
497	SiH₃Cl	chlorosilane	sih3cl
498	GeH₃F	monofluorogermane	geh3f
499	GeH₃Cl	monochlorogermane	geh3cl
500	SiH₃Br	bromosilane	sih3br
501	CH₃I	methyl iodide	ch3i
502	SiH₃I	Silyl Iodide	sih3i
503	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
504	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
505	NH₄Cl	Ammonium chloride	nh4cl
506	LiNe⁺	Lithium Neon cation	line+
507	Ne₂	Neon diatomic	ne2
508	Ne₂⁺	Neon diatomic cation	ne2+
509	Ar₂	Argon diatomic	ar2
510	Ar₂⁺	Argon diatomic cation	ar2+
511	Li₃⁺	Lithium trimer cation	li3+
512	C₃⁺	carbon trimer cation	c3+
513	SiC₂	Silicon dicarbide	sic2
514	C₃H₃	Propargyl radical	propargyl
515	C₃H₃^-	Propargyl anion	c3h3-
516	C₃H₄	cyclopropene	cprop
517	CH₂CCH₂	allene	allene
518	CH₃CCH	propyne	propyne
519	C₃H₅	Allyl radical	allyl
520	C₃H₅⁺	Allyl cation	allyl+
521	Zn(CH₃)₂	dimethyl zinc	dmz
522	C₃H₆	Cyclopropane	c3h6
523	CH₂CHCH₃	Propene	propene
524	C₃H₇⁺	cyclopropane, protonated	c3h7+
525	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
526	C₃H₈	Propane	propane
527	SiH₂(CH₃)₂	dimethylsilane	dms
528	Si₃H₈	trisilane	si3h8
529	NaCN	Sodium Cyanide	nacn
530	CuCN	Copper cyanide	cucn
531	AlCN	Aluminum monocyanide	alcn
532	AlNC	Aluminum isocyanide	alnc
533	CN₂	3H-Diazirin-3-ylidene	cn2
534	N₃^-	azide anion	n3-
535	HCNN	diazomethyl radical	hcnn
536	HNCNH	diiminomethane	hncnh
537	CH₂N₂	diazirine	ch2n2
538	CH₂NN	diazomethane	ch2nn
539	NH₂CN	cyanamide	cyanamide
540	HNNNH⁺	1,2-Triazadienium	n2h3+
541	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
542	CH₃CN	Acetonitrile	ch3cn
543	CH₃CN⁺	Acetonitrile cation	ch3cn+
544	CH₃NC	methyl isocyanide	ch3nc
545	CHNCH₂	2H-Azirine	c157164
546	CHNHCH	1H-Azirine	chnhch
547	H₂CCNH	Ethenimine	ch2cnh
548	H₂CNCH	methyleneaminomethylene	ch2nch
549	HCCNH₂	Ethynamine	hccnh2
550	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
551	NCNH₃⁺	Cyanamide, protonated	ncnh3+
552	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
553	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
554	CH₂CHNH	vinylazine	ch2chnh
555	NHCHNH₂	aminomethanimine	cn2h4
556	C₂H₅N	Aziridine	c2h5n
557	CH₂CHNH₂	aminoethene	aminoethene
558	CH₂NCH₃	N-methylmethanimine	nmm
559	CH₃CHNH	ethanimine	ethanimine
560	NH₂BHNH₂	diaminoborane	nh2bhnh2
561	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
562	C₂H₆N⁺	aziridine, protonated	c2h6n+
563	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
564	CH₃CH₂NH₂	Ethylamine	etam
565	CH₃NHCH₃	Dimethylamine	ch3nhch3
566	CH₃PHCH₃	dimethylphosphine	ch3phch3
567	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
568	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
569	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
570	Li₂O	dilithium oxide	li2o
571	Li₂S	dilithium sulfide	li2s
572	Na₂O	disodium monoxide	na2o
573	Na₂S	Sodium sulfide	na2s
574	CNO^-	fulminate	cno-
575	NCO^-	cyanate	nco-
576	SCN^-	thiocyanide anion	scn-
577	BO₂	Boron dioxide	bo2
578	BO₂^-	Boron dioxide anion	bo2-
579	N₂O	Nitrous oxide	n2o
580	NNS	Nitrogen sulfide	nns
581	PPO	Phosphorus oxide phosphide	ppo
582	CO₂	Carbon dioxide	co2
583	OCS	Carbonyl sulfide	cos
584	SiO₂	silicon dioxide	sio2
585	CS₂	Carbon disulfide	cs2
586	CS₂⁺	Carbon disulfide cation	cs2+
587	TiO₂	Titanium dioxide	tio2
588	SiS₂	Silicon disulfide	sis2
589	GeO₂	Germanium dioxide	geo2
590	OCSe	Carbonyl selenide	ocse
591	SCSe	Carbon sulfide selenide	scse
592	GeS₂	Germanium disulfide	ges2
593	CSe₂	Carbon diselenide	cse2
594	SCTe	Carbon sulfide Telluride	scte
595	PO₂	Phosphorus dioxide	po2
596	PO₂^-	Phosphorus dioxide anion	po2-
597	O₃	Ozone	o3
598	O₃^-	Ozone anion	o3-
599	SO₂^-	Sulfur dioxide anion	so2-
600	SO₂⁺	Sulfur dioxide cation	so2+
601	SSO	Disulfur monoxide	sso
602	S₃	Sulfur trimer	s3
603	SeO₂	Selenium dioxide	seo2
604	TeO₂	Tellurium Dioxide	teo2
605	CS₂H⁺	Carbon disulfide, protonated	cs2h+
606	HCNO	fulminic acid	hcno
607	HNCO	Isocyanic acid	hnco
608	HOCN	cyanic acid	hocn
609	HNCS	Isothiocyanic acid	hncs
610	HSCN	thiocyanic acid	hscn
611	HCO₂^-	formate anion	hco2-
612	HNNO	nitrosoazane	hnno
613	HNNO⁺	Nitrous oxide, N-protonated	hnno+
614	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
615	HNO₂	Nitrous acid	hno2
616	O₃H⁺	protonated ozone	o3h+
617	SO₂H⁺	protonated sulfur dioxide	so2h+
618	C₂H₂O	Oxirene	oxirene
619	CH₂CO	Ketene	ch2co
620	HCCOH	ethynol	hccoh
621	CH₂CS	Thioketene	ch2cs
622	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
623	NH₂NO	Nitrosamide	nh2no
624	CH₂O₂	Dioxirane	diox
625	H₂COO	Dioxymethyl radical	h2coo
626	H₂COO⁺	dioxymethyl cation	h2coo+
627	HCOOH	Formic acid	ch2o2
628	H₂O₃	Hydrogen trioxide	h2o3
629	HSSSH	trisulfane	hsssh
630	NaOCH₃	Sodium methoxide	naoch3
631	CH₂BOH	hydroxy(methylene)borane	ch2boh
632	BH₃CO	Borane carbonyl	bh3co
633	CH₃BO	Borane, methyloxo-	ch3bo
634	CH₂COH⁺	ketene, protonated	ch2coh+
635	CH₃CO	Acetyl radical	ch3co
636	CH₃CO^-	Acetyl anion	ch3co-
637	CH₃CO⁺	acetyl cation	ch3co+
638	CH₂NOH	formaldoxime	ch2noh
639	CH₃NO	nitrosomethane	ch3no
640	CHONH₂	formamide	formamide
641	CNOH₃	1,2-oxaziridine	cnoh3
642	HOCHNH	hydroxymethylimine	hochnh
643	CHSNH₂	thioformamide	chsnh2
644	NHCHSH	Methanimidothioic acid	nhchsh
645	CH₃OO	methylperoxy radical	ch3oo
646	CH₃OO^-	methylperoxy anion	ch3oo-
647	CH₃OO⁺	methylperoxy cation	ch3oo+
648	C₂H₄O	Ethylene oxide	c2h4o
649	CH₂CHOH	ethenol	ch2choh
650	CH₃CHO	Acetaldehyde	ch3cho
651	C₂H₄S	Thiirane	thiirane
652	CH₂CHSH	Ethenethiol	ch2chsh
653	CH₃CHS	Thioacetaldehyde	ch3chs
654	H₂CONH₂⁺	protonated formamide	h2conh2+
655	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
656	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
657	CH₂(OH)₂	methanediol	ch2o2h2
658	CH₃OOH	Methyl peroxide	ch3ooh
659	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
660	HSCH₂SH	Methanedithiol	ch4s2
661	H₂OH₂CO	water formaldehyde dimer	h2oh2co
662	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
663	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
664	NH₂CH₂OH	aminomethanol	nh2ch2oh
665	CH₃CH₂OH	Ethanol	etoh
666	CH₃OCH₃	Dimethyl ether	meome
667	CH₃CH₂SH	ethanethiol	etsh
668	CH₃SCH₃	Dimethyl sulfide	mesme
669	CH₃SeCH₃	dimethylselenide	dmse
670	CH₃OHH₂O	methanol water dimer	ch3ohh2o
671	H₂OCH₃OH	water methanol dimer	h2och3oh
672	CNF	iso cyanogen fluoride	cnf
673	FCN	Cyanogen fluoride	fcn
674	ClCN	chlorocyanogen	clcn
675	BrCN	Cyanogen bromide	brcn
676	FBO	Boron monofluoride monoxide	fbo
677	BeF₂	Beryllium fluoride	bef2
678	MgF₂	Magnesium fluoride	mgf2
679	BeCl₂	Beryllium chloride	becl2
680	MgCl₂	Magnesium dichloride	mgcl2
681	CaCl₂	Calcium Chloride	cacl2
682	ZnCl₂	Zinc dichloride	zncl2
683	BeBr₂	Beryllium bromide	bebr2
684	CaBr₂	Calcium dibromide	cabr2
685	CaF₂	Calcium difluoride	caf2
686	FCO⁺	Carbonyl fluoride cation	fco+
687	FNO	Nitrosyl fluoride	fno
688	ClNO	Nitrosyl chloride	clno
689	FNS	Thionitrosyl fluoride	fns
690	FSN	Thiazyl fluoride	fsn
691	OPCl	Phosphorus oxychloride	opcl
692	BrNO	Nitrosyl bromide	brno
693	INO	Nitrosyl iodide	ino
694	CF₂	Difluoromethylene	cf2
695	CFCl	chlorofluoromethylene	cfcl
696	SiF₂	Silicon difluoride	sif2
697	CCl₂	dichloromethylene	ccl2
698	CCl₂^-	dichloromethylene anion	ccl2-
699	SiCl₂	Dichlorosilylene	sicl2
700	GeF₂	Germanium difluoride	gef2
701	GeCl₂	Germanium dichloride	gecl2
702	CBr₂	dibromomethylene	cbr2
703	FOO	Dioxygen monofluoride radical	foo
704	ClOO	chloroperoxy radical	cloo
705	ClS₂	Sulfur chloride	cls2
706	NF₂	Difluoroamino radical	nf2
707	PF₂⁺	Phosphorus difluoride cation	pf2+
708	FClO	chlorosyl fluoride	fclo
709	F₂O	Difluorine monoxide	f2o
710	ClOF	Chlorine hypofluorite	clof
711	SF₂	sulfur difluoride	sf2
712	Cl₂O	Dichlorine monoxide	cl2o
713	SCl₂	Sulfur dichloride	scl2
714	SeF₂	Selenium difluoride	sef2
715	BrOCl	Bromine hypochlorite	brocl
716	SeCl₂	Selenium Dichloride	secl2
717	SBr₂	Sulfur dibromide	sbr2
718	SeBr₂	Selenium dibromide	sebr2
719	BrOBr	Bromine oxide	brobr
720	F₃^-	trifluoride anion	f3-
721	Cl₃^-	trichloride anion	cl3-
722	Br₃^-	tribromide anion	br3-
723	SFCl	Sulfur chloride fluoride	sfcl
724	HCCF	Fluoroacetylene	hccf
725	HCCCl	Chloroacetylene	hcccl
726	HCCBr	bromoacetylene	hccbr
727	HFCO	formyl fluoride	hfco
728	COHCl	Formyl chloride	cohcl
729	COHBr	Formyl bromide	cohbr
730	BHF₂	Difluoroborane	bhf2
731	BHCl₂	Borane, dichloro-	bhcl2
732	CHF₂⁺	difluoromethyl cation	chf2+
733	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
734	CHCl₂⁺	dichloromethyl cation	chcl2+
735	HOClO	Chlorous acid	hoclo
736	NHF₂	difluoramine	nhf2
737	NHCl₂	dichloroamine	nhcl2
738	CH₂F₂	Methane, difluoro-	ch2f2
739	CH₂FCl	fluorochloromethane	ch2fcl
740	SiH₂F₂	difluorosilane	sih2f2
741	CH₂Cl₂	Methylene chloride	ch2cl2
742	CH₂BrF	Methane, bromofluoro-	ch2fbr
743	CH₂BrCl	Methane, bromochloro-	ch2clbr
744	CH₂FI	fluoroiodomethane	ch2fi
745	CH₂Br₂	dibromomethane	ch2br2
746	CH₂ClI	chloroiodomethane	ch2cli
747	CH₂BrI	bromoiodomethane	ch2bri
748	CH₂I₂	Diiodomethane	ch2i2
749	SiH₂Cl₂	dichlorosilane	sih2cl2
750	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
751	CH₂CHF⁺	fluoroethene cation	ch2chf+
752	C₂H₃Cl	Ethene, chloro-	ch2chcl
753	C₂H₃Br	vinyl bromide	c2h3br
754	C₂H₃I	Vinyl iodide	c2h3i
755	CH₂FOH	fluoromethanol	ch2foh
756	CH₃OCl	methyl hypochlorite	ch3ocl
757	C₂H₅F	fluoroethane	c2h5f
758	CH₃CH₂Cl	Ethyl chloride	c2h5cl
759	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
760	C₂H₅Br	Ethyl bromide	etbr
761	C₂H₅I	Ethyl iodide	c2h5i
762	KrF₂	Krypton difluoride	krf2
763	XeF₂	Xenon difluoride	xef2
764	B₄H₁₀	Tetraborane(10)	b4h10
765	C₄⁺	Carbon tetramer cation	c4+
766	C₄H₂	Diacetylene	c4h2
767	C₂H₃CCH	1-Buten-3-yne	c2h3cch
768	C₄H₄	cyclobutadiene	cbd
769	C₄H₄	Tetrahedrane	c4h4
770	H₂CCCCH₂	Butatriene	h2cccch2
771	C₄H₆	1-Methylcyclopropene	c3100047
772	C₄H₆	Cyclobutene	c822355
773	C₄H₆	Methylenecyclopropane	c6142730
774	CH₂CCHCH₃	1,2-Butadiene	butad12
775	CH₂CHCHCH₂	1,3-Butadiene	c106990
776	CH₃CCCH₃	2-Butyne	c503173
777	CHCCH₂CH₃	1-Butyne	c107006
778	C₄H₈	methylcyclopropane	mcp
779	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
780	CH₂CHCH₂CH₃	1-Butene	bute1
781	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
782	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
783	B(CH₃)₃	trimethylborane	bme3
784	Al(CH₃)₃	trimethyl aluminum	tma
785	C(CH₃)₃	Tert-butyl radical	tbutyl
786	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
787	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
788	CH₃CH(CH₃)CH₃	Isobutane	isobutane
789	CH₃CH₂CH₂CH₃	Butane	butane
790	SiH(CH₃)₃	trimethylsilane	trimsi
791	Li₃N	trilithium nitride	li3n
792	C₂N₂	Cyanogen	c2n2
793	P₄	Phosphorus tetramer	p4
794	As₄	Arsenic tetramer	as4
795	HCCCN	Cyanoacetylene	hcccn
796	H₂CNCN	cyanamide, methylene	ch2ncn
797	HNCCNH	Ethenediimine	hnccnh
798	C₃H₃N	acrylonitrile	ch2chcn
799	CH₃N₃	methyl azide	ch3n3
800	NH₂CCNH₂	Diaminoacetylene	daa
801	NH₂CH₂CN	Aminoacetonitrile	aan
802	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
803	C₂H₅CN	ethyl cyanide	c2h5cn
804	CH₅N₃	Guanidine	guanidine
805	C₄H₆	Bicyclo[1.1.0]butane	c157335
806	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
807	H₂NCHCHNH₂	diaminoethylene	dae
808	CH₆N₃⁺	guanidinium	ch6n3+
809	C₃H₇N	Cyclopropylamine	cpram
810	CH₇N₃	triaminomethane	tam
811	C₃H₇N	Azetidine	azet
812	C₄H₈	cyclobutane	cbutane
813	C₂H₈N₂	Ethylenediamine	ethdiam
814	CH₃NHNHCH₃	dimethyl hydrazine	dmh
815	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
816	N(CH₃)₃	Trimethylamine	trimeam
817	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
818	P(CH₃)₃	trimethylphosphine	tmp
819	N(SiH₃)₃	trisilylamine	tsa
820	As(CH₃)₃	trimethyl arsine	tmas
821	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
822	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
823	Li₂O₂	dilithium dioxide	li2o2
824	Na₂O₂	disodium dioxide	na2o2
825	K₂O₂	dipotassium dioxide	k2o2
826	C₃O	Tricarbon monoxide	c3o
827	B₂O₂	Diboron dioxide	b2o2
828	ONNO	NO dimer	onno
829	S₂N₂	Disulfur dinitride	s2n2
830	CO₃	Carbon trioxide	co3
831	CO₃^--	carbonate	co3--
832	CS₃^--	Carbonotrithioate	cs3--
833	NO₃	Nitrogen trioxide	no3
834	NO₃^-	nitrate anion	no3-
835	SO₃	Sulfur trioxide	so3
836	SO₃^--	Sulfate dianion	so3--
837	SeO₃	selenium trioxide	seo3
838	S₄	Sulfur tetramer	s4
839	TeO₃	Tellurium trioxide	teo3
840	HNO₃	Nitric acid	hno3
841	NH₂NO₂	nitramide	nh2no2
842	C₂H₂CO	cyclopropenone	c2h2co
843	C₃H₂O	Propadienal	c3h2o
844	HCCCHO	2-propynal	hcccho
845	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
846	H₂CO₃	Carbonic acid	h2co3
847	H₂CS₃	thiocarbonic acid	h2cs3
848	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
849	H₂SO₃	Sulfurous acid	h2so3
850	C₂H₃NO	Nitrosoethylene	c2h3no
851	CH₃NCO	methylisocyante	ch3nco
852	HOCH₂CN	cyanomethanol	hoch2cn
853	CH₃COO^-	acetate anion	ch3coo-
854	CH₃NO₂	Methane, nitro-	ch3no2
855	CH₃ONO	Methyl nitrite	ch3ono
856	NH₂COOH	Carbamic acid	nh2cooh
857	H₃BO₃	Boric acid	h3bo3
858	H₃AlO₃	Aluminum hydroxide	h3alo3
859	H₃CO₃⁺	carbonic acid, protonated	h3co3+
860	C₃H₄O	2-Propyn-1-ol	c107197
861	C₃H₄O	allenol	c9000071
862	C₃H₄O	Cyclopropanone	cpone
863	C₃H₄O	Methylketene	c6004440
864	CH₂CHCHO	Acrolein	c3h4o
865	NH₂CONH₂	Urea	urea
866	NH₂CONH₂⁺	Urea cation	urea+
867	NH₂CSNH₂	Thiourea	thiourea
868	C₂H₄O₂	1,3-dioxetane	c2h4o2
869	CH₃COOH	Acetic acid	ch3cooh
870	CH₃OCHO	methyl formate	ch3ocho
871	CHOCH₂OH	hydroxy acetaldehyde	haa
872	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
873	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
874	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
875	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
876	HCOOHH₂O	Formic acid water dimer	hcoohh2o
877	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
878	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
879	CH₃C(OH)=NH	Ethaninidic acid	eia
880	CH₃CHNOH	Acetaldoxime	acetaldoxime
881	CH₃CONH₂	Acetamide	acetamide
882	HCONHCH₃	N-methylformamide	nmfa
883	CH₃CSNH₂	Ethanethioamide	ch3csnh2
884	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
885	H₂NCOHNH₂⁺	urea, protonated	ureah+
886	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
887	C₃H₅OH	Cyclopropanol	cproh
888	C₃H₆O	2-Propen-1-ol	c107186
889	C₃H₆O	Acetone enol	enol
890	C₃H₆O	Oxetane	oxetane
891	C₃H₆O	Propylene oxide	prox
892	CH₃CH₂CHO	Propanal	propanal
893	CH₃COCH₃	Acetone	acetone
894	C₃H₆S	Thietane	thietane
895	C₃H₆S	Thiirane, methyl-	methiirane
896	CH₃CSCH₃	Thioacetone	ch3csch3
897	C₂H₆O₂	1,2-Ethanediol	ethdiol
898	CH₃OOCH₃	dimethylperoxide	dmp
899	CH₃SOCH₃	Dimethyl sulfoxide	dmso
900	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
901	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
902	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
903	HOCH₂CH₂NH₂	monoethanolamine	mea
904	C₃H₇OH	1-Propanol	proh
905	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
906	CH₃OC₂H₅	Ethane, methoxy-	etome
907	C₃H₇SH	1-Propanethiol	prsh
908	CH₃CHSHCH₃	2-Propanethiol	isoprsh
909	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
910	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
911	Li₂F₂	Lithium fluoride dimer	li2f2
912	Na₂F₂	Sodium Fluoride Dimer	na2f2
913	Na₂Cl₂	Disodium dichloride	na2cl2
914	C₂F₂	difluoroacetylene	c2f2
915	C₂Cl₂	dichloroacetylene	c2cl2
916	FNO₂	Nitryl fluoride	fno2
917	FONO	Nitrosyl hypofluorite	fono
918	ClNO₂	Nitryl chloride	clno2
919	BrONO	Bromine nitrite	brono
920	N₂F₂	(Z)-Difluorodiazene	n2f2_z
921	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
922	CF₂O	Carbonic difluoride	f2co
923	COFCl	Carbonic chloride fluoride	cofcl
924	CCl₂O	Phosgene	cl2co
925	Cl₂CS	Thiophosgene	cl2cs
926	COBr₂	Carbonic dibromide	cobr2
927	BF₃	Borane, trifluoro-	bf3
928	AlF₃	Aluminum trifluoride	alf3
929	BClF₂	Chlorodifluoroborane	bclf2
930	AlF₂Cl	Aluminum chloride difluoride	alclf2
931	ScF₃	Scandium trifluoride	ScF3
932	AlFCl₂	Aluminum dichloride fluoride	alcl2f
933	BCl₃	Borane, trichloro-	bcl3
934	GaF₃	Gallium trifluoride	gaf3
935	AlCl₃	Aluminum trichloride	alcl3
936	GaCl₃	Gallium trichloride	gacl3
937	BBr₃	Boron tribromide	bbr3
938	AlBr₃	Aluminum Bromide	albr3
939	ClO₃	Chlorine trioxide	clo3
940	ClO₃^-	chlorate anion	clo3-
941	BrO₃^-	Bromate anion	bro3-
942	CF₃	Trifluoromethyl radical	cf3
943	CCl₃	Trichloromethyl radical	ccl3
944	SiCl₃	trichlorosilyl radical	sicl3
945	SiCl₃⁺	trichlorosilyl cation	sicl3+
946	FOOF	Perfluoroperoxide	foof
947	ClO₂F	Chloryl fluoride	clo2f
948	F₂SO	Thionyl Fluoride	f2so
949	ClOOCl	Dichlorine dioxide	cloocl
950	FSSF	Difluorodisulfane	fssf
951	S₂F₂	Thio-thionyl fluoride	s2f2
952	SOCl₂	thionyl chloride	socl2
953	SSCl₂	Thiothionyl chloride	sscl2
954	SeOCl₂	selenium oxychloride	seocl2
955	PF₃	Phosphorus trifluoride	pf3
956	NCl₃	nitrogen trichloride	ncl3
957	AsF₃	Arsenic trifluoride	asf3
958	PCl₃	Phosphorus trichloride	pcl3
959	SbF₃	Antimony Trifluoride	sbf3
960	AsCl₃	Arsenous trichloride	ascl3
961	SbCl₃	Antimony Trichloride	sbcl3
962	PBr₃	Phosphorus tribromide	pbr3
963	AsBr₃	Arsenic tribromide	asbr3
964	NI₃	Nitrogen triiodide	ni3
965	PI₃	Phosphorus triiodide	pi3
966	ClSSCl	Disulfur dichloride	s2cl2
967	ClF₃	Chlorine trifluoride	clf3
968	BrF₃	Bromine trifluoride	brf3
969	IF₃	iodone trifluoride	if3
970	HClO₃	Chloric Acid	hclo3
971	CHF₃	Methane, trifluoro-	chf3
972	CHF₂Cl	difluorochloromethane	chf2cl
973	SiHF₃	trifluorosilane	sihf3
974	CHFCl₂	fluorodichloromethane	chfcl2
975	CDCl₃	trichloromethane-d	cdcl3
976	CHCl₃	Chloroform	chcl3
977	CHBrF₂	Methane, bromodifluoro-	chbrf2
978	SiHCl₃	Trichlorosilane	sihcl3
979	CHFClBr	fluorochlorobromomethane	chfclbr
980	CHBrCl₂	Methane, bromodichloro-	chbrcl2
981	CHF₂I	difluoroiodomethane	chf2i
982	CHBr₂F	dibromofluoromethane	chbr2f
983	CHFClI	fluorochloroiodomethane	chfcli
984	CHCl₂I	dichloroiodomethane	chcl2i
985	CHClBr₂	Methane, dibromochloro-	chclbr2
986	CHBr₃	bromoform	chbr3
987	CHI₃	Iodoform	chi3
988	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
989	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
990	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
991	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
992	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
993	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
994	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
995	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
996	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
997	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
998	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
999	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1000	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1001	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1002	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1003	CH₃COF	Acetyl fluoride	ch3cof
1004	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1005	CH₃COCl	Acetyl Chloride	ch3cocl
1006	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1007	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1008	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1009	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1010	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1011	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1012	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1013	CH₂CFCH₃	2-fluoropropene	2fpro
1014	CH₂CHCH₂F	Allyl Fluoride	allylf
1015	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1016	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1017	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1018	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1019	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1020	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1021	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1022	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1023	CH₃CHFCH₃	2-Fluoropropane	prf2
1024	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1025	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1026	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1027	CH₃CHBrCH₃	i-propyl bromide	iprbr
1028	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1029	B₅H₉	pentaborane9	b5h9
1030	C₅H₄	pentatetraene	ptrene
1031	C₅H₅	cyclopentadienyl radical	c5h5
1032	C₅H₅^-	cylopentadienyl anion	c5h5-
1033	C₅H₆	1,3-Cyclopentadiene	c542927
1034	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1035	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1036	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1037	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1038	C₅H₆	Cyclopropylacetylene	c6746947
1039	C₅H₆	Propellane	propellane
1040	C₅H₇	1,3-pentadienyl radical	pdyl
1041	C₅H₇	cyclopentenyl radical	cpyl
1042	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1043	C₅H₈	1,2-Pentadiene	c591957
1044	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1045	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1046	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1047	C₅H₈	1,4-Pentadiene	c591935
1048	C₅H₈	1-pentyne	a1pentyne
1049	C₅H₈	2,3-Pentadiene	c591968
1050	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1051	C₅H₈	Cyclobutane, methylene-	c1120565
1052	C₅H₈	Cyclopentene	c142290
1053	C₅H₈	Ethenylcyclopropane	c693867
1054	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1055	C₅H₁₀	1-Butene, 2-methyl-	c563462
1056	C₅H₁₀	2-Butene, 2-methyl-	c513359
1057	C₅H₁₀	2-Pentene, (E)-	c646048
1058	C₅H₁₀	2-Pentene, (Z)-	c627203
1059	C₅H₁₀	Cyclopentane	c287923
1060	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1061	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1062	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1063	C₅H₁₂	Butane, 2-methyl-	buta2
1064	C₅H₁₂	Pentane	pentane
1065	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1066	Si(CH₃)₄	tetramethylsilane	tms
1067	N₂O₃	Dinitrogen trioxide	n2o3
1068	C₃H₂N₂	Malononitrile	c3h2n2
1069	CH₂N₄	1H-Tetrazole	1htz
1070	C₃H₃N₂^-	imidizolyl anion	im-
1071	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1072	C₄H₄N^-	pyrrolide anion	c4h4n-
1073	C₃H₄N₂	1H-Pyrazole	1hpyraz
1074	C₃H₄N₂	2H-Imidazole	imid2h
1075	C₃H₄N₂	4H-Imidazole	imid4h
1076	C₄H₅N	(E)-2-Butenenitrile	c627269
1077	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1078	C₄H₅N	2H-pyrrole	pyrrole2
1079	C₄H₅N	3H-pyrrole	pyrrole3
1080	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1081	C₄H₅N	Pyrrole	pyrrole
1082	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1083	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1084	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1085	C₄H₆N⁺	pyrrole, protonated	ppyr
1086	C₃H₆N₂	3-Aminopropionitrile	c151188
1087	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1088	CH₃CH₂CH₂CN	Butanenitrile	c109740
1089	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1090	C₅H₈	Spiropentane	c157404
1091	C₄H₉N	Cyclobutylamine	cbam
1092	C₄H₉N	Pyrrolidine	pyrrolidine
1093	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1094	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1095	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1096	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1097	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1098	NH(C₂H₅)₂	diethylamine	dea
1099	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1100	C₃O₂	Carbon suboxide	c3o2
1101	B₂O₃	diboron trioxide	b2o3
1102	MgCO₃	Magnesium Carbonate	mgco3
1103	BeCO₃	Beryllium Carbonate	beco3
1104	CaCO₃	Calcium Carbonate	caco3
1105	ONONO	Nitrosyl nitrite	onono
1106	PO₄^---	phosphate	po4---
1107	SO₄^--	sulfate	so4--
1108	HOONO₂	peroxy nitric acid	hoono2
1109	HSO₄^-	bisulfate anion	hso4-
1110	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1111	C₃H₂O₂	Propiolic acid	c3h2o2
1112	CHOCOOH	oxo acetic acid	oaa
1113	CHOOCHO	diformyl ether	choocho
1114	H₂SO₄	Sulfuric acid	h2so4
1115	H₂SeO₄	Selenic acid	h2seo4
1116	C₃H₃NO	Isoxazole	isox
1117	C₃H₃NO	Oxazole	oxazole
1118	C₃H₃NS	Thiazole	thiazole
1119	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1120	CH₃NO₃	Methyl nitrate	ch3no3
1121	H₃PO₄	Phosphoric Acid	h3po4
1122	C₄H₄O	Furan	furan
1123	C₄H₄O⁺	Furan cation	furan+
1124	CH₃COCCH	3-butyn-2-one	c1423605
1125	C₄H₄S	Thiophene	furans
1126	C₄H₄Se	selenophene	c4h4se
1127	C₃H₄O₂	β–Propiolactone	beta
1128	C₃H₄O₂	2-Propenoic acid	propenoic2
1129	C₃H₄O₂	Methyl glyoxal	megly
1130	C₃H₄O₂	propanedial	propanedial
1131	C₃H₄O₂	propenalol	propenalol
1132	HOCHCCHOH	allenediol	aldiol
1133	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1134	C₂H₄O₃	trioxolane124	triox
1135	HOCH₂COOH	Hydroxyacetic acid	hac
1136	CH₂CHCONH₂	Acrylamide	c79061
1137	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1138	CH₅N₃S	Hydrazinecarbothioamide	c79196
1139	H₂NCH₂COOH	Glycine	glycine
1140	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1141	C₄H₆O	cis-2-butenal	butenal2c
1142	C₄H₆O	Cyclobutanone	cbutone
1143	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1144	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1145	CH₂CHOCHCH₂	Vinyl ether	vinylether
1146	CHOCHCHCH₃	2-Butenal	butenal2
1147	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1148	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1149	CH₂CHSCHCH₂	Divinyl sulfide	divis
1150	C₂H₆N₂O	Urea, methyl-	c598505
1151	C₃H₆O₂	1,3-Dioxolane	dioxolane
1152	CH₃CH₂COOH	Propanoic Acid	propanoic
1153	CH₃COOCH₃	methyl acetate	aame
1154	HCOOC₂H₅	Ethyl formate	faee
1155	C₂H₆O₂S	Dimethyl sulfone	c67710
1156	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1157	C₃H₇NO	dimethylformamide	dmf
1158	C₃H₇NO	Propanamide	propanam
1159	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1160	C₄H₈O	Cyclobutanol	c2919235
1161	C₄H₈O	Furan, tetrahydro-	thf
1162	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1163	CH₃COCH₂CH₃	2-Butanone	buta2one
1164	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1165	CHOCH₂CH₂CH₃	Butanal	butanal
1166	C₄H₈S	Thiophene, tetrahydro-	tht
1167	C₃H₈O₂	1,3-Propanediol	c504632
1168	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1169	C₃H₈O₂	Methane, dimethoxy-	c109875
1170	C₃H₈O₂	Propylene glycol	c57556
1171	C₃H₈S₂	1,3-Propanedithiol	c109808
1172	C₄H₁₀O	1-Butanol	butanol1
1173	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1174	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1175	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1176	C₄H₁₀O	Ethoxy ethane	etoet
1177	C₄H₁₀O	Methyl propyl ether	meopr
1178	C₄H₁₀O	Propane, 2-methoxy-	c598538
1179	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1180	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1181	C₂H₅SC₂H₅	Diethyl sulfide	etset
1182	C₄H₉SH	1-Butanethiol	bush
1183	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1184	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1185	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1186	FNO₃	Fluorine nitrate	fno3
1187	ClONO₂	Chlorine nitrate	clono2
1188	BrONO₂	Bromine nitrate	brono2
1189	TiCl₄	Titanium tetrachloride	ticl4
1190	ClO₄^-	perchlorate anion	clo4-
1191	BF₄^-	tetrafluoroboron anion	bf4-
1192	ClFO₃	Perchloryl fluoride	clfo3
1193	SO₂F₂	Sulfuryl fluoride	so2f2
1194	SO₂Cl₂	Sulfuryl chloride	so2cl2
1195	F₃NO	Nitrogen trifluoride oxide	f3no
1196	F₃PO	Phosphoryl fluoride	pf3o
1197	Cl₃PO	Phosphoryl chloride	pcl3o
1198	CF₄	Carbon tetrafluoride	cf4
1199	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1200	SiF₄	Silicon tetrafluoride	sif4
1201	CF₂Cl₂	difluorodichloromethane	cf2cl2
1202	TiF₄	Titanium tetrafluoride	tif4
1203	CFCl₃	Trichloromonofluoromethane	cfcl3
1204	CF₃Br	Bromotrifluoromethane	cf3br
1205	GeF₄	Germanium tetrafluoride	gef4
1206	CCl₄	Carbon tetrachloride	ccl4
1207	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1208	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1209	SiCl₄	Silane, tetrachloro-	sicl4
1210	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1211	CF₃I	trifluoroiodomethane	cf3i
1212	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1213	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1214	GeCl₄	Germanium Tetrachloride	gecl4
1215	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1216	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1217	CCl₃I	trichloroiodomethane	ccl3i
1218	CFBr₃	fluorotribromomethane	cfbr3
1219	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1220	CBr₃Cl	tribromochloromethane	cbr3cl
1221	CF₂I₂	difluorodiiodomethane	cf2i2
1222	CBr₄	Carbon tetrabromide	cbr4
1223	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1224	SiBr₄	Silicon tetrabromide	sibr4
1225	CBr₃I	tribromoiododmethane	cbr3i
1226	GeBr₄	Germanium tetrabromide	gebr4
1227	CI₄	tetraiodomethane	ci4
1228	SiI₄	silicon tetraiodide	sii4
1229	ClOF₃	Chlorine trifluoride oxide	clof3
1230	SF₄	Sulfur tetrafluoride	sf4
1231	SeF₄	Selenium tetrafluoride	sef4
1232	SCl₄	Sulfur tetrachloride	scl4
1233	C₂HF₃	Trifluoroethylene	c2hf3
1234	CHClCCl₂	Trichloroethylene	chclccl2
1235	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1236	HClO₄	perchloric acid	hclo4
1237	HSO₃F	Fluorosulfonic acid	hso3f
1238	CF₃OH	trifluoromethanol	cf3oh
1239	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1240	CHClCCHCl	1,3-dichloroallene	chclcchcl
1241	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1242	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1243	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1244	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1245	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1246	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1247	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1248	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1249	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1250	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1251	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1252	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1253	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1254	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1255	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1256	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1257	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1258	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1259	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1260	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1261	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1262	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1263	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1264	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1265	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1266	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1267	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1268	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1269	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1270	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1271	C₄H₉F	1-fluorobutane	butaf1
1272	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1273	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1274	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1275	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1276	C₂H₂N₂O	Furazan	furazan
1277	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1278	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1279	C₆H₂	hexatriyne	c6h2
1280	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1281	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1282	C₆H₄	Benzyne	benzyne
1283	C₆H₅	phenyl	phenyl
1284	C₆H₅^-	phenyl anion	phenyl-
1285	C₆H₆	Prismane	prismane
1286	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1287	C₆H₆	2,4-Hexadiyne	hexadiyne
1288	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1289	C₆H₆	Benzene	benzene
1290	C₆H₆	Benzvalene	bv
1291	C₆H₆	Dewar Benzene	dewar
1292	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1293	C₆H₆	Trimethylenecycopropane	tmcp
1294	C₆H₆⁺	Benzene cation	c6h6+
1295	C₆H₇⁺	benzene, protonated	c6h7+
1296	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1297	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1298	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1299	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1300	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1301	C₆H₈	3-Methylenecyclopentene	c930267
1302	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1303	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1304	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1305	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1306	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1307	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1308	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1309	C₆H₁₀	1,5-Hexadiene	c592427
1310	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1311	C₆H₁₀	1-Hexyne	hexyne1
1312	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1313	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1314	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1315	C₆H₁₀	2-Hexyne	c764352
1316	C₆H₁₀	3-Hexyne	hexyne3
1317	C₆H₁₀	cyclohexene	cyclohexene
1318	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1319	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1320	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1321	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1322	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1323	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1324	C₆H₁₂	(E)-2-Hexene	e2hexene
1325	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1326	C₆H₁₂	(E)-hex-3-ene	e3hexene
1327	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1328	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1329	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1330	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1331	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1332	C₆H₁₂	3-methylenepentane	c760214
1333	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1334	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1335	C₆H₁₂	Cyclohexane	cyclohexane
1336	C₆H₁₂	Cyclopentane, methyl-	c96377
1337	C₆H₁₂	Ethylcyclobutane	c4806615
1338	C₆H₁₂	hex-1-ene	hexene1
1339	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1340	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1341	C₆H₁₄	Hexane	hexane
1342	C₆H₁₄	Pentane, 2-methyl-	penta2
1343	C₆H₁₄	Pentane, 3-methyl-	penta3
1344	C₄N₂	2-Butynedinitrile	c4n2
1345	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1346	C₄H₂N₂	Fumaronitrile	c4h2n2
1347	C₂H₂N₄	sym-tetrazine	ttz
1348	C₃H₃N₃	1,3,5-Triazine	triazine135
1349	CH₃N₅	5-Aminotetrazole	c4418615
1350	C₄H₄N₂	1,3-Diazine	diazine13
1351	C₄H₄N₂	Pyrazine	pyrazine
1352	C₄H₄N₂	Pyridazine	pyridazine
1353	C₄H₄N₂	Succinonitrile	c110612
1354	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1355	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1356	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1357	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1358	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1359	C₅H₅N	Pyridine	pyridine
1360	B₃N₃H₆	borazine	borazine
1361	C₆H₆	Fulvene	fulvene
1362	C₅H₆N⁺	Pyridinium	c5h6n
1363	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1364	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1365	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1366	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1367	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1368	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1369	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1370	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1371	C₅H₉N	Pentanenitrile	c110598
1372	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1373	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1374	C₅H₁₁N	Cyclopentanamine	cypentam
1375	C₅H₁₁N	Piperidine	piper
1376	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1377	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1378	Li₂CO₃	Lithium Carbonate	li2co3
1379	Na₂CO₃	Sodium Carbonate	na2co3
1380	C₂O₄^--	oxalate anion	c2o4
1381	MgSO₄	Magnesium Sulfate	mgso4
1382	N₂O₄	Dinitrogen tetroxide	n2o4
1383	C₃H₂O₃	vinylene carbonate	vica
1384	C₂H₂O₄	Oxalic Acid	oxalic
1385	C₂H₃NO₃	Oxamic acid	oxamic
1386	C₄H₄O₂	2(5H)-Furanone	furanone
1387	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1388	C₂H₄N₂O₂	Oxalamide	oxalamide
1389	C₂H₄N₂S₂	Ethanedithioamide	c79403
1390	C₂H₄CO₃	Ethylene carbonate	etco3
1391	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1392	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1393	C₂H₄O₄	Formic acid dimer	fadimer
1394	C₄H₅NO	3-Methylisoxazole	isox3m
1395	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1396	C₄H₅NS	4-Methylthiazole	c693958
1397	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1398	C₅H₆O	2H-Pyran	pyran2
1399	C₅H₆O	2-methylfuran	furan2m
1400	C₅H₆O	3-Methylfuran	furan3m
1401	C₅H₆O	Pentadienal	pdal
1402	C₅H₆S	Thiophene, 2-methyl-	c554143
1403	C₅H₆S	Thiophene, 3-methyl-	c616444
1404	C₄H₆O₂	γ–Butyrolactone	c96480
1405	C₄H₆O₂	2,3-Butanedione	c431038
1406	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1407	C₄H₆O₂	Crotonic Acid	crot
1408	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1409	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1410	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1411	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1412	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1413	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1414	C₄H₆OS	Vinyl sulfoxide	c1115157
1415	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1416	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1417	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1418	C₃H₆O₃	1,3,5-Trioxane	trioxane
1419	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1420	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1421	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1422	C₄H₇NO	2-Pyrrolidinone	c616455
1423	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1424	C₄H₇NO	Methacrylamide	c79390
1425	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1426	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1427	C₃H₇ONO	Propyl nitrite	prono
1428	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1429	CH₃CH(NH₂)COOH	Alanine	alanine
1430	CH₃NHCH₂COOH	Sarcosine	sarcosine
1431	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1432	NH₂COOC₂H₅	Urethane	urethane
1433	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1434	C₅H₈O	Cyclopentanone	c120923
1435	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1436	C₅H₈O	Methyl cyclopropyl ketone	c765435
1437	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1438	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1439	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1440	C₄H₈O₂	1,3-Dioxane	dioxan13
1441	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1442	C₄H₈O₂	1,4-Dioxane	dioxan14
1443	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1444	C₄H₈O₂	Ethyl acetate	c141786
1445	C₄H₈OS	s-Ethyl thioacetate	c625605
1446	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1447	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1448	C₄H₉NO	Butanamide	c541355
1449	C₄H₉NO	Propanamide, 2-methyl-	c563837
1450	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1451	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1452	C₅H₁₀O	2-methylbutyraldehyde	2meba
1453	C₅H₁₀O	2-Pentanone	mpk
1454	C₅H₁₀O	3-Pentanone	dek
1455	C₅H₁₀O	Cyclopentanol	c96413
1456	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1457	C₅H₁₀O	Pentanal	pal
1458	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1459	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1460	C₅H₁₀S	Cyclopentanethiol	c1679078
1461	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1462	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1463	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1464	C₄H₁₀O₂	1,3-Butanediol	budiol13
1465	C₄H₁₀O₂	1,4-Butanediol	budiol14
1466	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1467	C₄H₁₀OS	Diethyl sulfoxide	c70291
1468	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1469	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1470	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1471	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1472	C₅H₁₂O	1-Pentanol	pentanol1
1473	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1474	C₅H₁₂O	2-Pentanol	peol2
1475	C₅H₁₂O	3-Pentanol	pentan3ol
1476	C₅H₁₂O	Butane, 1-methoxy-	meobu
1477	C₅H₁₂O	Propane, 1-ethoxy-	proet
1478	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1479	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1480	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1481	C₅H₁₂S	1-Pentanethiol	c110667
1482	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1483	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1484	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1485	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1486	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1487	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1488	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1489	C₄F₂	difluorobutadiyne	c4f2
1490	ClCOClCO	Oxalyl chloride	oxcl
1491	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1492	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1493	B₂F₄	Diboron tetrafluoride	b2f4
1494	B₂Cl₄	Diboron tetrachloride	b2cl4
1495	C₂F₄	Tetrafluoroethylene	c2f4
1496	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1497	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1498	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1499	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1500	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1501	C₂FCl₃	fluorotrichloroethene	c2fcl3
1502	C₂Cl₄	Tetrachloroethylene	c2cl4
1503	C₂Br₄	tetrabromoethene	c2br4
1504	CF₃OF	Trifluoromethylhypofluorite	cf3of
1505	SiF₅^-	silicon pentafluoride anion	sif5-
1506	SOF₄	Sulfur tetrafluoride oxide	sof4
1507	PF₅	Phosphorus pentafluoride	pf5
1508	AsF₅	Arsenic pentafluoride	asf5
1509	PCl₅	Phosphorus pentachloride	pcl5
1510	SF₅⁺	pentafluoro sulfur cation	sf5+
1511	SbCl₅	Antimony pentachloride	sbcl5
1512	BrF₅	bromine pentafluoride	brf5
1513	ClF₅	chlorinepentafluoride	clf5
1514	IF₅	pentafluoroiodine	if5
1515	CF₃CHO	trifluoroacetaldehyde	cf3cho
1516	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1517	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1518	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1519	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1520	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1521	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1522	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1523	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1524	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1525	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1526	CF₃COOH	trifluoroacetic acid	cf3cooh
1527	C₄H₃ClO	Furan, 2-chloro	fur2cl
1528	C₄H₃ClO	Furan,3-chloro	fur3cl
1529	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1530	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1531	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1532	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1533	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1534	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1535	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1536	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1537	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1538	C₄H₈O₂	Butanoic acid	bua
1539	C₆H₅CH₂	benzyl radical	benzyl
1540	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1541	C₆H₅CH₃	toluene	toluene
1542	C₇H₈	cycloheptatriene	cht
1543	C₇H₈	Norbornadiene	norbor
1544	C₇H₈	Quadricyclane	qucy
1545	C₇H₁₂	Norbornane	nor
1546	C₇H₁₄	cycloheptane	c7h14
1547	C₇H₁₆	2-methylhexane	2mhex
1548	C₇H₁₆	3-methylhexane	hex3m
1549	C₇H₁₆	heptane	heptane
1550	CH(CN)₃	tricyanomethane	mecn3
1551	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1552	C₆H₇N	2-Methylpyridine	mp
1553	C₆H₅NH₂	aniline	aniline
1554	C₆H₁₃N	2-Methylpiperidine	pip2m
1555	C₆H₁₃N	cyclohexanamine	cham
1556	C₆H₁₅N	triethylamine	tea
1557	N₂O₅	Dinitrogen pentoxide	n2o5
1558	C₄H₂O₃	Maleic Anhydride	malan
1559	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1560	C₅H₄O₂	furfural	furfural
1561	C₅H₅NO	2(1H)-Pyridinone	c72762006
1562	C₅H₅NO	2(3H)-Pyridinone	c9000048
1563	C₅H₅NO	2(5H)-Pyridinone	c9000037
1564	C₅H₅NO	2-Pyridinol	c109104
1565	C₅H₅NO	3(2H)-Pyridinone	c9000004
1566	C₅H₅NO	3(4H)-Pyridinone	c9000026
1567	C₅H₅NO	3(6H)-Pyridinone	c9000015
1568	C₅H₅NO	3-Pyridinol	c109002
1569	C₅H₅NO	4(1H)-Pryidinone	c9000060
1570	C₅H₅NO	4(3H)-Pryidinone	c9000059
1571	C₅H₅NO	4-Pyridinol	c626642
1572	C₆H₅OH	phenol	phenol
1573	C₆H₆O	2,4-Cyclohexadienone	c24599573
1574	C₆H₆O	2,5-Cyclohexadienone	c5664335
1575	C₆H₅SH	Benzenethiol	phsh
1576	HO₂CCHNH₂CH₂OH	Serine	serine
1577	C₅H₈O₂	Acetylacetone	acac
1578	C₄H₈O₂S	Sulfolane	sulfolane
1579	C₇H₁₀	Norbornene	norbornene
1580	CH(C₂H₃)₃	trivinyl methane	tvm
1581	C₆H₁₀O	cyclohexanone	chexo
1582	C₆H₁₂O	hexanal	c6h12o
1583	C₆H₁₂O	Oxepane	oxepane
1584	C₃H₇OC₃H₇	di-n-propyl ether	propr
1585	F₂CCCF₂	tetrafluoroallene	pfa
1586	CF₃COO^-	trifluoro acetate anion	cf3coo-
1587	CF₃COF	trifluoroacetyl fluoride	cf3cof
1588	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1589	PF₆^-	Hexafluorophosphate ion	pf6-
1590	SF₆	Sulfur Hexafluoride	sf6
1591	SeF₆	Selenium hexafluoride	sef6
1592	SF₅Cl	sulfur chloropentafluoride	sf5cl
1593	CF₃CHF₂	pentafluoroethane	cf3chf2
1594	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1595	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1596	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1597	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1598	C₆H₅F	Fluorobenzene	bzf
1599	C₆H₅Cl	chlorobenzene	bzcl
1600	C₆H₅Br	bromobenzene	bzbr
1601	C₈H₆	Calicene	calicene
1602	C₆H₅CCH	phenylacetylene	phac
1603	C₈H₆	benzocyclobutadiene	bcbd
1604	C₈H₆	Pentalene	pentalene
1605	C₆H₅CHCH₂	Styrene	styrene
1606	C₈H₈	cubane	cubane
1607	C₈H₈	cyclooctatetraene	cot
1608	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1609	CH₃C₆H₄CH₃	meta-xylene	mxylene
1610	CH₃C₆H₄CH₃	paraxylene	pxylene
1611	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1612	C₈H₁₆	cyclooctane	cyclooct
1613	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1614	C₈H₁₈	Octane	c8h18
1615	C₆H₅CN	phenyl cyanide	phcn
1616	C₆H₁₂N₂	Triethylenediamine	ted
1617	C₄O₄^--	squarate dianion	c4o4--
1618	S₄N₄	Tetrasulfur tetranitride	s4n4
1619	S₈	Octasulfur	s8
1620	C₆H₄O₂	parabenzoquinone	pbq
1621	C₄H₄N₂O₂	Uracil	uracil
1622	C₆H₅OCH₃	Anisole	anisole
1623	C₅H₉NO₂	Proline	proline
1624	C₆H₁₂O₂	Methyl pivalate	c598981
1625	C₆H₁₂O₂	Hexanoic acid	hexa
1626	C₄F₄	tetrafluorcyclobutadiene	c4f4
1627	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1628	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1629	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1630	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1631	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1632	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1633	C₂F₆	hexafluoroethane	c2f6
1634	C₂Cl₆	hexachloroethane	c2cl6
1635	IF₇	Iodine heptafluoride	if7
1636	C₆H₄F₂	metadifluorobenzene	mdfb
1637	C₆H₄F₂	orthodifluorobenzene	odfb
1638	C₆H₄F₂	1,4-difluorobenzene	pdfb
1639	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1640	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1641	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1642	C₆H₅NO	nitrosobenzene	bzno
1643	C₉H₈	Indene	indene
1644	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1645	C₉H₁₂	n-propyl benzene	prbz
1646	C₉H₂₀	Nonane	nonane
1647	C(CN)₄	tetracyanomethane	c5n4
1648	C₅H₄N₄	purine	purine
1649	C₈H₇N	Indole	indole
1650	C₃H₃N₃O₃	cyanuric acid	cyanuric
1651	C₆H₅NO₂	Nitrobenzene	c6h5no2
1652	C₆H₅COOH	benzoic acid	benzo
1653	CH₃COC₆H₅	acetophenone	acph
1654	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1655	C₃F₆	hexafluoropropene	c3f6
1656	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1657	C₈H₁₈O	1-Octanol	octanol
1658	C₁₀H₈	Azulene	azu
1659	C₁₀H₈	naphthalene	naph
1660	C₁₀H₁₀	bullvalene	bullv
1661	C₁₀H₁₆	adamantane	adamantane
1662	C₆N₄	Tetracyanoethylene	tcne
1663	C₆N₄^-	tetracyanoethylene anion	tcne-
1664	C₁₀H₂₂	Decane	decane
1665	C₄F₆	perfluorobutadiene	c4f6
1666	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1667	C₃F₈	perfluoropropane	c3f8
1668	Fe(CO)₅	Iron pentacarbonyl	ipc
1669	Fe(C₅H₅)₂	ferrocene	fecp2
1670	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1671	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1672	C₁₂H₈	Acenaphthylene	acenaph
1673	C₁₂H₈	biphenylene	biph
1674	C₁₂H₁₀	biphenyl	biphenyl
1675	C₁₂H₁₀	Heptalene	heptalene
1676	C₆H₁₂O₆	Inositol	inositol
1677	C₆F₆	hexafluorobenzene	c6f6
1678	S₂F₁₀	disulphur decafluoride	s2f10
1679	C₁₃H₁₀	Fluorene	fluorene
1680	C₁₄H₁₀	Anthracene	anth
1681	C₁₄H₁₀	Phenanthrene	phenanthrene
1682	C₁₄H₁₄	Bibenzyl	bibenzyl
1683	C₁₂H₁₀N₂	azobenzene	azobenzene
1684	C₆H₅COC₆H₅	benzophenone	benzophenone
1685	C₁₆H₁₀	Pyrene	pyrene
1686	C₁₈H₁₂	Tetracene	tetracene
1687	C₁₉H₁₆	Triphenylmethane	tpm
1688	C₂₄H₁₂	Coronene	coronene
1689	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