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

List of which calculations are completed at QCISD(T)=FULL /cc-pVQZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	He	Helium atom	¹S	K_h
7	He	Helium atom
8	He⁺	Helium atom cation	²S	K_h
9	HeH⁺	Helium hydride cation	¹Σ	C_∞v
10	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
11	Li^-	Lithium atom anion	¹S	K_h
12	LiH	Lithium Hydride	¹Σ	C_∞v
13	LiH⁺	lithium hydride cation	²Σ	C_∞v
14	BeH	beryllium monohydride	²Σ	C_∞v
15	MgH	magnesium monohydride	²Σ	C_∞v
16	TiH	Titanium monohydride	⁴Φ	C_∞v
17	ZnH⁺	Zinc, protonated
18	BeH₂⁺	Beryllium dihydride cation
19	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
20	Al	Aluminum atom	²P	K_h
21	Al^-	Aluminum atom anion	³P	K_h
22	Al^-	Aluminum atom anion	¹D	K_h
23	Al⁺	Aluminum atom cation	¹S	K_h
24	Sc	Scandium atom	²D	K_h
25	Sc⁺	Scandium cation	³D	K_h
26	Ga	Gallium atom	²P
27	Ga^-	Gallium atom anion	³P	O_h
28	Ga⁺	Gallium atom cation	¹S
29	BH	Boron monohydride	¹Σ	C_∞v
30	BH	Boron monohydride	³Π	C_∞v
31	ScH	Scandium monohydride	¹Σ	C_∞v
32	GaH	Gallium monohydride	¹Σ	C_∞v
33	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
34	BH₃⁺	boron trihydride cation	²B₂	C_2v
35	BH₃⁺	boron trihydride cation		C_2v
36	AlH₃	aluminum trihydride	¹A₁^'	D_3h
37	AlH₃^-	aluminum trihydride anion		C_3v
38	ScH₃	Scandium trihydride	¹A₁^'	D_3h
39	ScH₃	Scandium trihydride	¹A₁	C_3v
40	BH₄	borohydride	²B₂	C_2v
41	BH₄^-	borohydride anion	¹A₁	T_d
42	C	Carbon atom	³P₀	K_h
43	C^-	Carbon atom anion	⁴S	K_h
44	C^-	Carbon atom anion	²D	K_h
45	Si^-	Silicon atom anion	⁴S	K_h
46	Ge	Germanium atom	³P	K_h
47	Ge^-	Germanium anion	⁴S	K_h
48	Ge⁺	Germanium cation	²P	K_h
49	CH	Methylidyne	²Π_1/2	C_∞v
50	SiH	Silylidyne	²Π	C_∞v
51	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
52	GeH	germylidene	²Π	C_∞v
53	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
54	CH₂	Methylene	³B₁	C_2v
55	CH₂	Methylene	³Σ_G	D_∞h
56	CH₂	Methylene	¹A₁	C_2v
57	CH₂^-	methylene anion	²B₁	C_2v
58	CH₂⁺	methylene cation	²A₁	C_2v
59	CH₂⁺	methylene cation	²Π	D_∞h
60	GeH₂	germylene	¹A₁	C_2v
61	CH₃	Methyl radical	²A₁	D_3h
62	CH₃^-	methyl anion	¹A₁	C_3v
63	CH₃⁺	methyl cation	¹A₁^'	D_3h
64	SiH₃	Silyl radical	²A₁	C_3v
65	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
66	GeH₃	Germyl radical	²A₁	C_3v
67	GeH₃⁺	germyl cation	¹A₁^'	D_3h
68	CH₄	Methane	¹A₁	T_d
69	CH₄^-	Methane anion	²A₁	T_d
70	SiH₂D₂	silane-d2
71	SiH₄	Silane	¹A₁	T_d
72	GeH₄	Germane	¹A₁	T_d
73	SiH₅⁺	Silane, protonated
74	N	Nitrogen atom	⁴S	K_h
75	P	Phosphorus atom	⁴S	K_h
76	V	Vanadium atom	⁴F	K_h
77	V⁺	Vanadium atom cation	⁵D	K_h
78	As	Arsenic atomic	⁴S	K_h
79	As^-	Arsenic anion	³P	K_h
80	As⁺	Arsenic cation	³P	K_h
81	PH	phosphorus monohydride	³Σ^-	C_∞v
82	AsH	Arsenic monohydride	³Σ	C_∞v
83	NH₂	Amino radical	²B₁	C_2v
84	NH₂⁺	Amino cation	³B₁	C_2v
85	NH₂⁺	Amino cation	¹A₁	C_2v
86	NH₃	Ammonia	¹A₁	C_3v
87	NH₃^-	Ammonia anion	²A₁	C_3v
88	NH₃⁺	ammonia cation	²A₂^"	D_3h
89	PH₃	Phosphine	¹A₁	C_3v
90	PH₃⁺	Phosphine cation	²A₁	C_3v
91	AsH₃	Arsine	¹A₁	C_3v
92	AsH₃⁺	Arsine cation	²A₁	C_3v
93	AsH₄⁺	Arsonium
94	NH₄	Ammonium radical
95	NH₄⁺	ammonium cation	¹A₁	T_d
96	PH₄	Phosphoranyl radical
97	PH₄⁺	phosphonium cation
98	O	Oxygen atom	³S	K_h
99	S	Sulfur atom	³P	K_h
100	S	Sulfur atom
101	S^-	Sulfur atom anion	²P	K_h
102	S⁺	Sulfur atom cation	⁴S	K_h
103	Se	Selenium atom	³P	K_h
104	Se^-	Selenium atom anion	²P	K_h
105	Se⁺	Selenium atom cation	⁴S	K_h
106	OH	Hydroxyl radical	²Π	C_∞v
107	OH^-	hydroxide anion	¹Σ	C_∞v
108	OH⁺	hydoxyl cation	³Σ	C_∞v
109	HS	Mercapto radical	²Π	C_∞v
110	HS^-	mercapto anion	¹Σ	C_∞v
111	HS⁺	sulfur monohydride cation	³Σ	C_∞v
112	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
113	HSe	Selenium monohydride	²Π	C_∞v
114	HSe^-	selenium monohydride anion	¹Σ	C_∞v
115	HSe⁺	selenium monohydride cation	³Σ	C_∞v
116	H₂O	Water	¹A₁	C_2v
117	H₂O^-	water anion	²A₁	C_2v
118	H₂O^-	water anion	²A^'	C_s
119	H₂O⁺	water cation	²B₁	C_2v
120	HDO	Water-d1	¹A₁	C_2v
121	H₂S	Hydrogen sulfide	¹A₁	C_2v
122	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
123	H₂Se	Hydrogen selenide	¹A₁	C_2v
124	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
125	H₃O⁺	hydronium cation	¹A₁	C_3v
126	H₃S⁺	Sulfonium cation	¹A₁	C_3v
127	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
128	F	Fluorine atom	²P	K_h
129	F^-	Fluorine atom anion	¹S	K_h
130	F⁺	Fluorine atom cation	³S	K_h
131	F⁺	Fluorine atom cation	¹D	K_h
132	Cl	Chlorine atom	²P	K_h
133	Cl^-	Chlorine atom anion	¹S	K_h
134	Cl⁺	Chlorine atom cation	³P	K_h
135	Cl⁺	Chlorine atom cation	¹D	K_h
136	Br	Bromine atom	²P	K_h
137	Br^-	Bromine atom anion	¹S	K_h
138	Br⁺	Bromine atom cation	³P	K_h
139	HF	Hydrogen fluoride	¹Σ	C_∞v
140	HF^-	hydrogen fluoride anion	²Σ	C_∞v
141	HF⁺	hydrogen fluoride cation	²Π	C_∞v
142	HCl	Hydrogen chloride	¹Σ	C_∞v
143	HCl^-	hydrogen chloride anion	²Σ	C_∞v
144	HCl⁺	hydrogen chloride cation	²Π	C_∞v
145	HBr	hydrogen bromide	¹Σ	C_∞v
146	HBr^-	hydrogen bromide anion	²Σ	C_∞v
147	HBr⁺	hydrogen bromide cation	²Π	C_∞v
148	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
149	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
150	Ne	Neon atom	¹S	K_h
151	Ne	Neon atom
152	Kr	Krypton atom	¹S	K_h
153	Kr⁺	Krypton cation	²P	K_h
154	HeLi⁺	Helium Lithium cation
155	ArH⁺	Argon hydride cation	¹Σ	C_∞v
156	KrH⁺	Protonated Krypton	¹Σ	C_∞v
157	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
158	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
159	NaLi	lithium sodium	¹Σ	C_∞v
160	Na₂	Sodium diatomic	¹Σ_g	D_∞h
161	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
162	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
163	BeMg	Beryllium Magnesium	¹Σ	C_∞v
164	LiB	Lithium boride	³Π	C_∞v
165	LiAl	Lithium Aluminum
166	NaAl	Sodium aluminum	¹Σ	C_∞v
167	BeB	Beryllium monoboride	²Π	C_∞v
168	B₂	Boron diatomic	¹Σ_g	D_∞h
169	B₂⁺	Boron diatomic cation	²Π	D_∞h
170	BAl	Boron Aluminum	³Σ	C_∞v
171	BGa	Boron Gallium	³Σ	C_∞v
172	AlGa	Aluminum Gallium	³Σ	C_∞v
173	AlGa	Aluminum Gallium	¹Σ	C_∞v
174	Ga₂	Gallium diatomic	³P_iu
175	HBBH	Diborane(2)	³Σ_G	D_∞h
176	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
177	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
178	B₂H₆	Diborane	¹A_g	D_2h
179	B₂H₆⁺	Diborane cation
180	Ga₂H₆	digallane	¹A_G	D_2h
181	BeC	Beryllium Carbide	³Σ^-	C_∞v
182	BeC	Beryllium Carbide
183	CaC	Calcium monocarbide
184	AlC	Aluminum carbide	⁴Σ	C_∞v
185	BSi	Boron silicide	⁴Σ	C_∞v
186	BSi	Boron silicide	²Σ	C_∞v
187	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
188	C₂	Carbon diatomic	³Σ_g^-
189	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
190	GeC	Germanium monocarbide	¹Σ	C_∞v
191	SiGe	Silicon Germanium
192	C₂H	Ethynyl radical	²Σ	C_∞v
193	C₂H^-	Ethynyl anion	¹Σ	C_∞v
194	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
195	C₂H₂⁺	acetylene cation
196	H₂CC^-	vinylidene anion
197	HCCH^-	acetylene anion
198	HCCH^-	acetylene anion
199	Si₂H₂	disilyne
200	Si₂H₂	disilyne
201	Si₂H₂	disilyne
202	Si₂H₂	disilyne
203	CH₃Li	methyl lithium	¹A₁	C_3v
204	CH₂BH	methyleneborane	¹A₁	C_2v
205	C₂H₃	vinyl	²A^'	C_s
206	C₂H₃^-	vinyl anion	¹A^'	C_s
207	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
208	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
209	C₂H₄^-	Ethylene anion	²A_g	C_2h
210	C₂H₄⁺	Ethylene cation	²B₃	D₂
211	Si₂H₄	Disilene
212	Si₂H₄	Disilene
213	Si₂H₄	Disilene
214	CH₃BH₂	methylborane	¹A^'	C_s
215	C₂H₅	Ethyl radical	²A^'	C_s
216	C₂H₆	Ethane	¹A_1g	D_3d
217	CH₃SiH₃	methyl silane	¹A₁	C₃
218	Si₂H₆	disilane	¹E_u	D_3d
219	LiN	Lithium Nitride	³Σ	C_∞v
220	LiP	Lithium monophosphide
221	LiP	Lithium monophosphide
222	BeN⁺	Beryllium mononitride cation	³Σ	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	BP	Boron monophosphide	¹Σ	C_∞v
228	AlP	Aluminum monophosphide	³Σ	C_∞v
229	AlP	Aluminum monophosphide	³Π	C_∞v
230	AlP	Aluminum monophosphide	¹Σ	C_∞v
231	GaP	Gallium monophosphide	³Σ	C_∞v
232	GaP	Gallium monophosphide	¹Σ	C_∞v
233	GaAs	Gallium arsenide	³Π
234	GaAs	Gallium arsenide	¹Σ
235	BN	boron nitride	³Π	C_∞v
236	BN	boron nitride	¹Σ	C_∞v
237	CN	Cyano radical	²Σ	C_∞v
238	CN^-	cyanide anion	¹Σ	C_∞v
239	SiP	Silicon monophosphide	²Π	C_∞v
240	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
241	N₂	Nitrogen diatomic
242	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
243	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
244	PN	Phosphorus mononitride	¹Σ	C_∞v
245	HCN	Hydrogen cyanide	¹Σ	C_∞v
246	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
247	HNC⁺	hydrogen isocyanide cation
248	HCP⁺	Phosphaethyne cation
249	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
250	LiNH₂	lithium amide
251	HBNH	Boranimine	¹Σ	C_∞v
252	H₂NN	Isodiazene
253	N₂H₂	(E)-diazene	¹A_g	C_2h
254	N₂H₂	(Z)-Diazene	¹A₁	C_2v
255	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
256	CH₂NH	Methanimine	¹A^'	C_s
257	CH₂NH⁺	Methanimine cation
258	CHNH₂	aminomethylene
259	CHNH₂⁺	Aminocarbene cation
260	BH₂NH₂	Boranamine
261	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
262	N₂H₄	Hydrazine	¹A	C₂
263	N₂H₄⁺	hydrazine cation	²A_G	C_2h
264	CH₃NH₂	methyl amine	¹A^'	C_s
265	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
266	SiH₃NH₂	Silane, amino
267	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
268	BH₃PH₃	borane phosphine
269	BH₃NH₃	borane ammonia	¹A₁	C_3v
270	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
271	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
272	N₂H₇⁺	ammonia ammonium dimer
273	LiO	lithium oxide	²Σ	C_∞v
274	LiS	Lithium monosulfide	²Π	C_∞v
275	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
276	NaO	sodium monoxide	²Σ	C_∞v
277	NaS	Sodium sulfide	²Π	C_∞v
278	LiSe	Lithium monoselenide
279	CaO	Calcium monoxide	¹Σ	C_∞v
280	BO	boron monoxide	²Σ	C_∞v
281	ScO	Scandium monoxide	²Σ	C_∞v
282	GaO	Gallium monoxide	²Σ	C_∞v
283	GaS	Gallium monosulfide
284	CO	Carbon monoxide	¹Σ	C_∞v
285	CO^-	carbon monoxide anion	²Π	C_∞v
286	CO⁺	carbon monoxide cation	²Σ	C_∞v
287	SiO	Silicon monoxide	¹Σ	C_∞v
288	SiS	silicon monosulfide	¹Σ	C_∞v
289	TiO	Titanium monoxide	³Δ	C_∞v
290	CSe	Carbon monoselenide	¹Σ	C_∞v
291	GeO	Germanium monoxide	¹Σ	C_∞v
292	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
293	GeS	Germanium monosulfide	¹Σ	C_∞v
294	SiSe	Silicon Monoselenide
295	SiSe⁺	Silicon Monoselenide cation
296	GeSe	Germanium monoselenide
297	NO	Nitric oxide	²Π	C_∞v
298	NO^-	nitric oxide anion	³Σ	C_∞v
299	NO⁺	nitric oxide cation	¹Σ	C_∞v
300	NS	Mononitrogen monosulfide	²Π	C_∞v
301	PO	Phosphorus monoxide	²Π	C_∞v
302	PS	phosphorus sulfide	²Σ	C_∞v
303	VO	Vanadium monoxide	⁴Σ^-
304	NSe	Nitrogen monoselenide	²Π	C_∞v
305	AsS	Arsenic monosulfide	²Π	C_∞v
306	PSe	Phosphorus monoselenide	²Π	C_∞v
307	AsSe	Arsenic monoselenide	²Π	C_∞v
308	O₂	Oxygen diatomic	³Σ_g	D_∞h
309	O₂^-	oxygen diatomic anion	²Π	D_∞h
310	O₂^--	dioxygen dianion
311	SO	Sulfur monoxide	³Σ	C_∞v
312	SO	Sulfur monoxide	¹Σ	C_∞v
313	SO⁺	sulfur monoxide cation	²Π	C_∞v
314	S₂	Sulfur diatomic	³Σ_g	D_∞h
315	SeO	Selenium monoxide	³Σ	C_∞v
316	Se₂	Selenium diatomic	³Σ_g	D_∞h
317	LiOH	lithium hydroxide	¹Σ	C_∞v
318	BeOH	beryllium monohydroxide	²A^'	C_s
319	BeOH	beryllium monohydroxide	²Σ	C_∞v
320	HBO	Boron hydride oxide	¹Σ	C_∞v
321	HBS	hydrogen boron sulfide	¹Σ	C_∞v
322	COH	Hydroxymethylidyne
323	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
324	HCO	Formyl radical	²A^'	C_s
325	HCO^-	formyl anion	¹A^'	C_s
326	HCO⁺	Formyl cation	¹Σ	C_∞v
327	HNO	Nitrosyl hydride	¹A^'	C_s
328	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
329	NOH	Hydroxyimidogen	³A^"	C_s
330	NOH⁺	O-protonated nitric oxide	²A^'	C_s
331	HO₂	Hydroperoxy radical	²A^"	C_s
332	HO₂⁺	Hydroperoxy cation	³A^"	C_s
333	HSO⁺	Sulfur Monoxide, S-protonated
334	SOH	Sulfur Hydroxide
335	SOH⁺	Sulfur Monoxide, protonated
336	H₂CO^-	formaldehyde anion	²A^'	C_s
337	H₂CO^-	formaldehyde anion
338	H₂CO⁺	formaldehyde cation	²B₂	C_2v
339	H₂CS	Thioformaldehyde	¹A₁	C_2v
340	H₂CS^-	thioformaldehyde anion
341	H₂CS^-	thioformaldehyde anion
342	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
343	H₂CSe	Selenoformaldehyde
344	H₂NO	nitroxide	²B₁	C_2v
345	H₂NO	nitroxide	²A^'	C_s
346	H₂O₂	Hydrogen peroxide	¹A	C₂
347	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
348	H₂OO	water oxide
349	HOSH	hydrogen thioperoxide
350	H₂S₂	Disulfane	¹A	C₂
351	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
352	H₂Se₂	hydrogen diselenide
353	CH₂OH	Hydroxymethyl radical	²A	C₁
354	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
355	CH₃O^-	methoxy anion	¹A₁	C_3v
356	CH₃O⁺	Methoxy cation	³A₁	C_3v
357	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
358	NH₂OH	hydroxylamine	¹A^'	C_s
359	NH₂OH⁺	Hydroxylamine cation
360	CH₃OH	Methyl alcohol	¹A^'	C_s
361	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
362	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
363	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
364	CH₃SH	Methanethiol	¹A^'	C_s
365	CH₃SH⁺	Methanethiol cation	²A^"	C_s
366	SiH₃OH	silanol
367	NH₂OH₂⁺	protonated hydroxylamine
368	NH₃OH⁺	N-protonated hydroxylamine
369	H₂OH₂O	water dimer	¹A^'	C_s
370	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
371	LiF	lithium fluoride	¹Σ	C_∞v
372	LiCl	lithium chloride	¹Σ	C_∞v
373	NaF	sodium fluoride	¹Σ	C_∞v
374	NaF⁺	sodium fluoride cation	²Σ	C_∞v
375	NaCl	Sodium Chloride	¹Σ	C_∞v
376	NaCl⁺	sodium chloride cation	²Π	C_∞v
377	LiBr	Lithium Bromide	¹Σ	C_∞v
378	LiF⁺	lithium fluoride cation	²Π	C_∞v
379	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
380	ZnF	Zinc monofluoride	²Σ	C_∞v
381	CaBr	Calcium monobromide
382	BF	Boron monofluoride	¹Σ	C_∞v
383	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
384	ScF	Scandium monofluoride	¹Σ	C_∞v
385	GaF	Gallium monofluoride	¹Σ	C_∞v
386	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
387	AlBr	Aluminum monobromide
388	GaCl	Gallium monochloride	¹Σ_G	C_∞v
389	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
390	GaBr	Gallium monobromide
391	CF	Fluoromethylidyne	²Π	C_∞v
392	SiF	silicon monofluoride	²Π	C_∞v
393	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
394	SiCl	Clorosilylidyne	²Π	C_∞v
395	CBr	Carbon monobromide	²Π	C_∞v
396	GeF	Germanium monofluoride	²Π	C_∞v
397	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
398	GeCl	Germanium monochloride	²Π	C_∞v
399	GeCl⁺	Germanium monochloride cation
400	SiBr⁺	Silicon monobromide cation
401	NCl	nitrogen monochloride	³Σ	C_∞v
402	AsF	Arsenic monofluoride	³Σ	C_∞v
403	AsCl	Arsenic monochloride	³Σ	C_∞v
404	PBr	Phosphorus monobromide
405	FO	Oxygen monofluoride	²Π	C_∞v
406	ClO	Monochlorine monoxide	²Π	C_∞v
407	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
408	SF	Monosulfur monofluoride	²Π	C_∞v
409	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
410	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
411	BrO	Bromine monoxide	²Π	C_∞v
412	BrO⁺	Bromine monoxide cation
413	SeF	Selenium monofluoride	²Π	C_∞v
414	SBr	Sulfur monobromide radical
415	SBr⁺	Sulfur monobromide cation
416	SeCl	Selenium monochloride	²Π	C_∞v
417	SeBr	Selenium monobromide
418	BrCl	Bromine monochloride	¹Σ	C_∞v
419	F₂	Fluorine diatomic	¹Σ_g	D_∞h
420	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
421	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
422	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
423	ClF⁺	clorine monofluoride cation	²Π	C_∞v
424	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
425	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
426	BrF	Bromine monofluoride	¹Σ	C_∞v
427	Br₂	Bromine diatomic	¹Σ_g	D_∞h
428	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
429	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
430	HCF	Fluoromethylene	¹A^'	C_s
431	HCF	Fluoromethylene	³A^"	C_s
432	HSiF	fluorosilylene
433	HSiCl	Chlorosilylene
434	HSiBr	monobromosilylene
435	HOF	Hypofluorous acid	¹A^'	C_s
436	HOCl	hypochlorous acid	¹A^'	C_s
437	HOCl⁺	hypochlorous acid cation
438	F₂H⁺	Fluorine, protonated	¹A^'	C_s
439	ClFH⁺	Chlorine fluoride, F-protonated
440	FClH⁺	Chlorine fluoride, Cl-protonated
441	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
442	CH₂Br	bromomethyl radical
443	CH₂F	fluoromethyl radical	²A	C_s
444	CH₂F⁺	fluoromethyl cation
445	CH₂Cl⁺	chloromethyl cation
446	CH₂Cl	chloromethyl radical	²A^'	C_s
447	CH₂Cl	chloromethyl radical	²B₁	C_2v
448	NH₂Cl	chloramine	¹A^'	C_s
449	CH₃F⁺	methyl fluoride cation
450	CH₃F	Methyl fluoride	¹A₁	C_3v
451	CH₃Cl	Methyl chloride	¹A₁	C_3v
452	CH₃Cl⁺	Methyl chloride cation
453	SiH₃F	monofluorosilane	¹A₁	C_3v
454	SiH₃Cl	chlorosilane	¹A₁	C₁
455	CH₃Br	methyl bromide	¹A₁	C_3v
456	GeH₃F	monofluorogermane
457	GeH₃Cl	monochlorogermane
458	NH₃Cl⁺	protonated monochloroammonia
459	CH₃ClH⁺	methyl chloride, protonated
460	NH₄Cl	Ammonium chloride
461	LiNe⁺	Lithium Neon cation
462	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
463	Ar₂	Argon diatomic	¹S_g	D_∞h
464	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
465	Li₃	Lithium trimer	²B₂	C_2v
466	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
467	C₃	carbon trimer	¹Σ_g	D_∞h
468	C₃	carbon trimer	¹A₁	C_2v
469	C₃⁺	carbon trimer cation	²B₂	C_2v
470	SiC₂	Silicon dicarbide
471	C₃H₄	cyclopropene	¹A₁	C_2v
472	CH₂CCH₂	allene	¹A₁	D_2d
473	CH₃CCH	propyne	¹A^'	C_3v
474	CH₂CHCH₃	Propene	¹A^'	C_s
475	C₃H₇	n-Propyl radical	²A^"	C₁
476	C₃H₇⁺	cyclopropane, protonated
477	CH₃CHCH₃	Isopropyl radical	²A	C₂
478	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
479	C₃H₈	Propane	¹A₁	C_2v
480	Si₃H₈	trisilane
481	LiCN	lithium cyanide	¹Σ	C*V LiCN
482	LiCN	lithium cyanide	¹A^'	C_s
483	NaCN	Sodium Cyanide	¹Σ	C_∞v
484	NaCN	Sodium Cyanide	¹A	C_s
485	CuCN	Copper cyanide	¹Σ	C_∞v
486	CuCN	Copper cyanide	³Π	C_s
487	ZnCN	Zinc monocyanide	²Σ	C_∞v
488	ZnNC	Zinc isocyanide	²Σ	C_∞v
489	AlCN	Aluminum monocyanide
490	AlNC	Aluminum isocyanide
491	CNN	Diazocarbene
492	N₃	azide radical	²Π_g	D_∞h
493	N₃⁺	azide cation	³Σ_g	D_∞h
494	N₃⁺	azide cation	³Σ	C_∞v
495	HCCN	cyanomethylene	³Σ	C_∞v
496	HN₃	hydrogen azide	¹A^'	C_s
497	HN₃⁺	Hydrazoic acid cation
498	HNCNH	diiminomethane	¹A	C₂
499	HNNNH⁺	1,2-Triazadienium
500	NH₂NN⁺	hydrazoic acid, protonated
501	CH₃CN	Acetonitrile	¹A₁	C_3v
502	HCNCH₂⁺	2H-Azirine cation
503	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
504	NH₂CNH⁺	cyanamide, cn protonated
505	NH₃CN⁺	cyanamide, amine protonated
506	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
507	CH₃CH₂NH₂	Ethylamine
508	Li₂O	dilithium oxide	¹Σ_g	D_∞h
509	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
510	Li₂S	dilithium sulfide	¹A₁	C_2v
511	Na₂O	disodium monoxide	¹Σ_g	Linear
512	Na₂S	Sodium sulfide
513	Na₂S	Sodium sulfide
514	LiO₂	Lithium dioxide
515	NaO₂	Sodium superoxide
516	CCO	Dicarbon monoxide	³Σ	C_∞v
517	CCO	Dicarbon monoxide	¹Π	C_∞v
518	NCO	isocyanato radical	²Π	C_∞v
519	N₂O	Nitrous oxide	¹Σ	C_∞v
520	N₂O^-	Nitrous oxide anion	²A^'	C_s
521	OCS	Carbonyl sulfide	¹Σ	C_∞v
522	CS₂	Carbon disulfide	¹Σ_g	D_∞h
523	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
524	OCSe	Carbonyl selenide	¹Σ	C_∞v
525	SCSe	Carbon sulfide selenide
526	NO₂	Nitrogen dioxide	²A₁	C_2v
527	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
528	NSO	sulfinyl amidogen
529	SNO	Nitrogen oxide sulfide
530	O₃	Ozone	¹A₁	C_s
531	SO₂	Sulfur dioxide	¹A₁	C_2v
532	SSO	Disulfur monoxide	¹A^'	C_s
533	S₃	Sulfur trimer	¹A₁	C_2v
534	S₃	Sulfur trimer
535	S₃⁺	Sulfur trimer cation	²B₂	C_2v
536	SeO₂	Selenium dioxide	¹A₁	C_2v
537	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
538	HCCO	ketenyl radical	²Π	C_∞v
539	HCCO	ketenyl radical	²A^"	C_s
540	HOCO	Hydrocarboxyl radical	¹A^'	cis
541	HOCO	Hydrocarboxyl radical	¹A^'	trans
542	O₃H⁺	protonated ozone	¹A^'	C_s
543	O₃H⁺	protonated ozone
544	C₂H₂O	Oxirene	¹A₁	C_2v
545	CH₂CO	Ketene	¹A₁	C_2v
546	CH₂CS	Thioketene
547	Be(OH)₂	Beryllium hydroxide
548	NH₂NO	Nitrosamide	¹A	C₁
549	H₂COO	Dioxymethyl radical	²A^'	C_s
550	H₂COO⁺	dioxymethyl cation	²A^'	C_s
551	HCOOH	Formic acid	¹A^'	C_s
552	HCOOH	Formic acid
553	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
554	BH₃CO	Borane carbonyl	¹A₁	C_3v
555	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
556	CH₂COH⁺	ketene, protonated
557	CNOH₃	1,2-oxaziridine	¹A	C₁
558	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
559	NHCHSH	Methanimidothioic acid
560	C₂H₄O	Ethylene oxide	¹A₁	C_2v
561	C₂H₄O⁺	ethylene oxide cation
562	CH₃CHO	Acetaldehyde	¹A^'	C_s
563	CH₃CHO⁺	acetaldehyde cation
564	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
565	C₂H₄S	Thiirane	¹A₁	C_2v
566	CH₂CHSH	Ethenethiol
567	NH₂CHOH⁺	Formamide, O-protonated
568	CH₃SSH	Hydrogen methyl disulfide
569	HSCH₂SH	Methanedithiol
570	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
571	CH₃CH₂SH	ethanethiol	¹A^'	C_s
572	CH₃CH₂SH	ethanethiol	¹A	C₁
573	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
574	CH₃SCH₃⁺	dimethyl sulfide cation
575	CNF	iso cyanogen fluoride	¹Σ	C_∞v
576	BrCN	Cyanogen bromide	¹Σ	C_∞v
577	FBO	Boron monofluoride monoxide
578	BeBr₂	Beryllium bromide
579	FCO	Carbonyl fluoride	²A^'	C_s
580	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
581	ClCO	carbonyl monochloride	²A^'	C_s
582	BF₂	Boron difluoride radical	²A₁	C_2v
583	FNO	Nitrosyl fluoride	¹A^'	C_s
584	ClNO	Nitrosyl chloride	¹A^'	C_s
585	FNS	Thionitrosyl fluoride	¹A^'	C_s
586	FSN	Thiazyl fluoride	¹A^'	C_s
587	OPCl	Phosphorus oxychloride
588	CF₂	Difluoromethylene	¹A₁	D_∞h
589	CFCl	chlorofluoromethylene	¹A^'	C_s
590	SiF₂	Silicon difluoride	¹A₁	C_2v
591	GeCl₂	Germanium dichloride	¹A₁	C_2v
592	FOO⁺	Fluorine dioxide cation
593	OClO	Chlorine dioxide	²B₁	D_∞h
594	OClO^-	Chlorine dioxide anion	¹A^'	C_s
595	ClSO	Sulfur chloride oxide	²A^"	C_s
596	BrOO	Bromine dioxide
597	OBrO	Bromine dioxide radical	²B₁	C_2v
598	PF₂	Phosphorus difluoride
599	PF₂⁺	Phosphorus difluoride cation
600	FClO	chlorosyl fluoride	¹A^'	C_s
601	ClOF	Chlorine hypofluorite	¹A^'	C_s
602	SF₂	sulfur difluoride	¹A₁	C_2v
603	SeF₂	Selenium difluoride
604	SeCl₂	Selenium Dichloride
605	SBr₂	Sulfur dibromide
606	SeBr₂	Selenium dibromide
607	Br₃^-	tribromide anion
608	SFCl	Sulfur chloride fluoride
609	HCCF	Fluoroacetylene	¹Σ	C_∞v
610	HFCO⁺	formyl fluoride cation	²A^'	C_s
611	CHF₂	difluoromethyl radical	²A	C_s
612	CHF₂⁺	difluoromethyl cation
613	CHFCl	Chlorofluoromethyl radical
614	CHFCl⁺	Chlorofluoromethyl cation
615	CHCl₂⁺	dichloromethyl cation
616	NHF₂	difluoramine
617	NHCl₂	dichloroamine
618	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
619	SiH₂F₂	difluorosilane
620	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
621	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
622	CH₂Br₂	dibromomethane	¹A₁	C_2v
623	CH₃MgBr	Methyl Magnesium Bromide
624	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
625	CH₂FOH	fluoromethanol
626	C₂H₅Br	Ethyl bromide	¹A^'	C_s
627	C₄	Carbon tetramer	³Σ_g	D_∞h
628	C₄	Carbon tetramer
629	C₄H₄	Tetrahedrane
630	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
631	Li₃N	trilithium nitride	¹A^'	D_3h
632	C₂N₂	Cyanogen	¹Σ_g	D_∞h
633	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
634	H₂CNCN	cyanamide, methylene
635	HNCCNH	Ethenediimine
636	C₂H₅CN	ethyl cyanide	¹A^'	C_s
637	C₃O	Tricarbon monoxide	¹Σ	C_∞v
638	ONNO	NO dimer	¹A_g	trans C2H
639	ONNO	NO dimer	¹A₁	cis C2V
640	S₂N₂	Disulfur dinitride	¹A_G	D_2h
641	NO₃^-	nitrate anion	¹A₁^'	D_3h
642	SO₃	Sulfur trioxide	¹A₁^'	D_3h
643	SO₃^--	Sulfate dianion
644	S₄	Sulfur tetramer
645	S₄	Sulfur tetramer
646	S₄	Sulfur tetramer
647	C₃H₂O	Propadienal
648	C₃H₂O	Propadienal
649	C₂H₂O₂	Ethanedial	¹A_g	C_2h
650	CH₃NCO	methylisocyante
651	CH₃NO₂	Methane, nitro-	¹A^'	C_s
652	H₃AlO₃	Aluminum hydroxide
653	CH₂CHCHO	Acrolein	¹A^'	C_s
654	NH₂CONH₂	Urea	¹A₁	C_2v
655	CH₃COCH₂	Acetonyl radical	²A^"	C_s
656	HCONHCH₃	N-methylformamide	¹A^'	CS trans
657	C₃H₇OH	1-Propanol
658	Li₂F₂	Lithium fluoride dimer
659	CF₂O	Carbonic difluoride	¹A₁	C_2v
660	CF₂O⁺	Carbonic difluoride cation
661	BF₃⁺	boron trifluoride cation
662	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
663	BCl₃⁺	Boron Trichloride cation
664	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
665	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
666	CF₂Cl	difluorochloromethyl radical
667	CFCl₂	dichlorofluoromethyl radical
668	ClO₂F	Chloryl fluoride	¹A^'	C_s
669	SSCl₂	Thiothionyl chloride
670	NF₃	Nitrogen trifluoride	¹A₁	C_3v
671	HClO₃	Chloric Acid	¹A^'	C_s
672	HClO₃	Chloric Acid	¹A	C₁
673	CHF₃	Methane, trifluoro-	¹A₁	C_3v
674	SiHF₃	trifluorosilane
675	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
676	AsF₃H⁺	Arsenic trifluoride, protonated
677	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
678	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
679	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
680	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
681	CH₂CHCH₂F	Allyl Fluoride
682	CH₂CHCH₂F	Allyl Fluoride
683	CH₃CHCHF	trans-1-Fluoro-1-propene
684	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
685	B₅H₉	pentaborane9
686	C₅H₈	Bicyclo[1.1.1]pentane
687	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
688	B₂O₃	diboron trioxide
689	B₂O₃	diboron trioxide
690	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
691	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
692	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
693	CHCl₂CCH	3,3-dichloropropyne
694	C₂H₂N₂O	Furazan
695	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
696	C₃H₂O₃	vinylene carbonate
697	C₅H₆O	2H-Pyran
698	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
699	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
700	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
701	SF₆	Sulfur Hexafluoride	¹A_1G	O_h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	HD	Deuterium hydride	hd
7	H₃⁺	hydrogen trimer cation	h3+
8	He^-	Helium atom anion	he-
9	HeH	Helium hydride	heh
10	Li	Lithium atom	li
11	Li⁺	Lithium atom cation	li+
12	Na	Sodium atom	na
13	Na^-	Sodium atom anion	na-
14	Na⁺	Sodium atom cation	na+
15	K	Potassium atom	k
16	K^-	Potassium atom anion	k-
17	K⁺	Potassium atom cation	k+
18	Cu	Copper atom	cu
19	Cu^-	Copper atom anion	cu-
20	Cu⁺	Copper atom cation	cu+
21	LiH^-	lithium hydride anion	lih-
22	NaH	sodium hydride	nah
23	NaH^-	sodium hydride anion	nah-
24	NaH⁺	sodium hydride cation	nah+
25	KH	Potassium hydride	kh
26	KH⁺	Potassium hydrogen cation	kh+
27	CuH	Copper monohydride	cuh
28	Be	Beryllium atom	be
29	Be^-	Beryllium atom anion	be-
30	Be⁺	Beryllium atom cation	be+
31	Mg	Magnesium atom	mg
32	Mg^-	Magnesium atom anion	mg-
33	Mg⁺	Magnesium atom cation	mg+
34	Ca	Calcium atom	ca
35	Ca^-	Calcium atom anion	ca-
36	Ca⁺	Calcium atom cation	ca+
37	Zn	Zinc atom	zn
38	Zn^-	Zinc atom anion	zn-
39	Zn⁺	Zinc atom cation	zn+
40	BeH^-	berylium monohydride anion	beh-
41	BeH⁺	beryllium monohydride cation	beh+
42	MgH^-	magnesium monohydride anion	mgh-
43	MgH⁺	magnesium monohydride cation	mgh+
44	CaH	Calcium monohydride	cah
45	CaH⁺	Calcium monohydride cation	cah+
46	ZnH	Zinc monohydride	znh
47	BeH₂	beryllium dihydride	beh2
48	CaH₂	Calcium Hydride	cah2
49	ZnH₂	Zinc hydride	znh2
50	B	Boron atom	b
51	B^-	Boron atom anion	b-
52	B⁺	Boron atom cation	b+
53	BH^-	boron monohydride anion	bh-
54	BH⁺	boron monohydride cation	bh+
55	AlH	aluminum monohydride	alh
56	AlH^-	aluminum monohydride anion	alh-
57	AlH⁺	aluminum monohydride cation	alh+
58	ScH⁺	Scandium monohydride cation	sch+
59	BH₂	boron dihydride	bh2
60	BH₂^-	boron dihydride anion	bh2-
61	BH₂⁺	Boron dihydride cation	bh2+
62	AlH₂	aluminum dihydride	alh2
63	AlH₂^-	aluminum dihydride anion	alh2-
64	AlH₂⁺	aluminum dihydride cation	alh2+
65	BH₃	boron trihydride	bh3
66	BH₃^-	boron trihydride anion	bh3-
67	AlH₃⁺	aluminum trihydride cation	alh3+
68	GaH₃	Gallium trihydride	gah3
69	AlH₄^-	Aluminum tetrahydride anion	alh4-
70	C⁺	Carbon atom cation	c+
71	Si	Silicon atom	si
72	Si⁺	Silicon atom cation	si+
73	Ti	Titanium atom	ti
74	Ti^-	Titanium atom anion	ti-
75	Ti⁺	Titanium atom cation	ti+
76	Sn	Tin atom	sn
77	Sn⁺	Tin cation	sn+
78	CH^-	methylidyne anion	ch-
79	CH⁺	Methylidyne cation	ch+
80	SiH^-	silicon monohydride anion	sih-
81	SiH₂	silicon dihydride	sih2
82	SiH₂^-	silicon dihydride anion	sih2-
83	SiH₂⁺	silicon dihydride cation	sih2+
84	GeH₂^-	germylene anion	geh2-
85	SiH₃^-	Silyl anion	sih3-
86	CD₄	methane-d4	cd4
87	CH₂D₂	methane-d2	ch2d2
88	CH₃D	methane-d	ch3d
89	CH₄⁺	Methane cation	ch4+
90	CHD₃	methane-d3	chd3
91	SiH₄⁺	Silane cation	sih4+
92	SnH₄	Stannane	snh4
93	N^-	Nitrogen atom anion	n-
94	N⁺	Nitrogen atom cation	n+
95	P^-	Phosphorus atom anion	p-
96	P⁺	Phosphorus atom cation	p+
97	Sb	Antimony atom	sb
98	NH	Imidogen	nh
99	NH^-	Imidogen anion	nh-
100	NH⁺	imidogen cation	nh+
101	PH^-	phosphorus monohydride anion	ph-
102	PH⁺	phosphorus monohydride cation	ph+
103	AsH⁺	Arsenic monohydride cation	ash+
104	SbH	Antimony monohydride	sbh
105	ND₂	Amidogen-d2	nd2
106	NH₂^-	amino anion	nh2-
107	PH₂	Phosphino radical	ph2
108	PH₂^-	Phosphino anion	ph2-
109	PH₂⁺	Phosphino cation	ph2+
110	AsH₂	Arsenic dihydride	ash2
111	AsH₂⁺	Arsenic dihydride cation	ash2+
112	ND₃	Ammonia-d3	nd3
113	SbH₃	Stibine	sbh3
114	O^-	Oxygen atom anion	o-
115	O⁺	Oxygen atom cation	o+
116	Cr	Chromium atom	cr
117	Te	Tellurium atom	te
118	Te⁺	Tellurium atom cation	te+
119	DO	Hydroxyl-d	od
120	DS	Mercapto-d	ds
121	CrH	Chromium hydride	crh
122	TeH	Telluryl radical	teh
123	D₂O	Deuterium oxide	d2o
124	D₂S	Hydrogen sulfide-d2	d2s
125	H₂S^-	Hydrogen sulfide anion	h2s-
126	H₂Te	Hydrogen Telluride	h2te
127	Mn	Manganese atom	mn
128	I	Iodine atom	iodine
129	I^-	Iodine atom anion	iodine-
130	I⁺	Iodine atom cation	iodine+
131	DF	Hydrofluoric acid-d	df
132	DCl	Hydrochloric acid-d	dcl
133	HI	Hydrogen iodide	hi
134	HI⁺	Hydrogen iodide cation	hi+
135	H₂F⁺	dihydrogen fluoride cation	h2f+
136	H₂I⁺	Iodonium	h2i+
137	Ne^-	Neon atom anion	ne-
138	Ne⁺	Neon atom cation	ne+
139	Ar	Argon atom	ar
140	Ar^-	Argon atom anion	ar-
141	Ar⁺	Argon atom cation	ar+
142	Fe	Iron atom	fe
143	Xe	Xenon atom	xe
144	NeH	neon hydrogen	neh
145	NeH⁺	neon hydrogen cation	neh+
146	XeH⁺	Xenon, protonated	xeh+
147	Co	Cobalt atom	cobalt
148	Ni	Nickel atom	ni
149	Li₂	Lithium diatomic	li2
150	Li₂^-	lithium diatomic anion	li2-
151	NaLi^-	lithium sodium anion	lina-
152	NaLi⁺	lithium sodium cation	lina+
153	LiK	Lithium Potassium	lik
154	NaK	Sodium Potassium	nak
155	NaK⁺	Sodium Potassium diatomic cation	nak+
156	K₂	Potassium diatomic	k2
157	Cu₂	Copper diatomic	cu2
158	LiBe	Lithium Beryllium	libe
159	LiMg	Lithium magnesium	limg
160	NaBe	Sodium Beryllium	nabe
161	NaMg	Sodium Magnesium	namg
162	Be₂	Beryllium diatomic	be2
163	Be₂^-	Beryllium diatomic anion	be2-
164	Be₂⁺	Beryllium diatomic cation	be2+
165	Mg₂	Magnesium diatomic	mg2
166	Mg₂^-	magnesium diatomic anion	mg2-
167	Mg₂⁺	magnesium diatomic cation	mg2+
168	Ca₂	Calcium diatomic	ca2
169	B₂	Boron diatomic	b2
170	B₂^-	Boron diatomic anion	b2-
171	Al₂	Aluminum diatomic	al2
172	Al₂^-	aluminum diatomic anion	al2-
173	Al₂⁺	aluminum diatomic cation	al2+
174	LiBH₄	Lithium borohydride	libh4
175	Al₂H₆	dialane	al2h6
176	LiC	Lithium Carbide	lic
177	BC	boron monocarbide	bc
178	BC^-	boron monocarbide anion	bc-
179	BC⁺	boron monocarbide cation	bc+
180	C₂^-	carbon diatomic anion	c2-
181	SiC	silicon monocarbide	sic
182	SiC^-	silicon monocarbide anion	sic-
183	SiC⁺	silicon monocarbide cation	sic+
184	Si₂	Silicon diatomic	si2
185	Si₂^-	silcon diatomic anion	si2-
186	Si₂⁺	silcon diatomic cation	si2+
187	Ge₂	Germanium diatomic	ge2
188	C₂H⁺	Ethynyl cation	c2h+
189	ZnCH₂	Zinc methylene	znch2
190	C₂H₂	Acetylene	c2h2
191	CCH₂	vinylidene	vinylidene
192	CuCH₃	monomethyl copper	cuch3
193	ZnCH₃	Zinc monomethyl	znch3
194	C₂H₄	Ethylene	c2h4
195	CH₃CH	methylmethylene	ch3ch
196	CH₂SiH₂	silaethylene	ch2sih2
197	C₂H₅^-	Ethyl anion	c2h5-
198	C₂H₅⁺	Ethyl cation	c2h5+
199	C₂H₆⁺	ethane cation	c2h6+
200	GeH₃CH₃	methyl germane	geh3ch3
201	C₂H₇⁺	Ethane, protonated	c2h7+
202	LiN⁺	Lithium Nitride cation	lin+
203	BeN	Beryllium mononitride	ben
204	BeN^-	Beryllium mononitride anion	ben-
205	BN^-	boron nitride anion	bn-
206	AlN^-	aluminum mononitride anion	aln-
207	AlN⁺	aluminum mononitride cation	aln+
208	GaN	Gallium mononitride	gan
209	BN⁺	boron nitride cation	bn+
210	AlN	Aluminum nitride	aln
211	CN⁺	Cyano cation	cn+
212	CP	Carbon monophosphide	cp
213	CP^-	carbon monophosphide anion	cp-
214	CP⁺	carbon monophosphide cation	cp+
215	SiN	Silicon nitride	sin
216	SiN^-	silicon mononitride anion	sin-
217	SiN⁺	silicon mononitride cation	sin+
218	SiP^-	Silicon monophosphide anion	sip-
219	SiP⁺	Silicon monophosphide cation	sip+
220	TiN	Titanium mononitride	tin
221	PN^-	phosphorus nitride anion	pn-
222	PN⁺	phosphorus nitride cation	pn+
223	P₂	Phosphorus diatomic	p2
224	P₂^-	phosphorus diatomic anion	p2-
225	P₂⁺	phosphorus diatomic cation	p2+
226	AsN	Arsenic mononitride	asn
227	AsP	Arsenic monophosphide	asp
228	SbN	Antimony nitride	sbn
229	As₂	Arsenic diatomic	as2
230	HNB	hydrogen nitrogen boron	hnb
231	HNC	hydrogen isocyanide	hnc
232	HCN^-	Hydrogen cyanide anion	hcn-
233	HCP	Phosphaethyne	hcp
234	NNH	Dinitrogen monohydride	nnh
235	HPO	Hydrogen phosphorus oxide	hpo
236	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
237	CNH₂	Aminomethylidyne radical	cnh2
238	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
239	H₂CN	Dihydrogen cyanide radical	h2cn
240	H₂CN⁺	hydrocyanonium cation	h2cn+
241	HCNH	methyleneazane	hcnh
242	HCNH⁺	N-protonated HCN	hcnh+
243	CH₂PH	Phosphaethene	ch3p
244	P₂H₄	Diphosphine	p2h4
245	CH₃PH₂	Methyl phosphine	ch3ph2
246	CH₃NH₃⁺	protonated methylamine	ch3nh3+
247	NH₃NH₃	Ammonia Dimer	nh3nh3
248	LiO^-	lithium oxide anion	lio-
249	LiO⁺	lithium oxide cation	lio+
250	NaO^-	sodium oxide anion	nao-
251	NaO⁺	sodium oxide cation	nao+
252	KO	Potassium monoxide	ko
253	KO⁺	Potassium monoxide cation	ko+
254	CuO	Copper Monoxide	cuo
255	BeO	beryllium oxide	beo
256	BeO^-	Beryllium monoxide anion	beo-
257	BeO⁺	Beryllium monoxide cation	beo+
258	BeS	beryllium sulfide	bes
259	MgO	magnesium oxide	mgo
260	MgO^-	magnesium oxide anion	mgo-
261	MgO⁺	magnesium oxide cation	mgo+
262	MgS	magnesium sulfide	mgs
263	MgS^-	magnesium sulfide anion	mgs-
264	MgS⁺	magnesium sulfide cation	mgs+
265	CaS	Calcium sulfide	cas
266	ZnO	zinc monoxide	zno
267	ZnS	Zinc sulfide	zns
268	BeS^-	Beryllium monosulfide anion	bes-
269	BeS⁺	Beryllium monosulfide cation	bes+
270	BO^-	boron monoxide anion	bo-
271	AlO	Aluminum monoxide	alo
272	AlO^-	Aluminum monoxide anion	alo-
273	AlO⁺	aluminum monoxide cation	alo+
274	BS	boron sulfide	bs
275	BS^-	boron monosulfide anion	bs-
276	BS⁺	boron monosulfide cation	bs+
277	AlS	Aluminum sulfide	als
278	AlS^-	aluminum monosulfide anion	als-
279	AlS⁺	aluminum monosulfide cation	als+
280	BO⁺	boron monoxide cation	bo+
281	CS	carbon monosulfide	cs
282	CS^-	carbon monosulfide anion	cs-
283	CS⁺	carbon monosulfide cation	cs+
284	SiO^-	silicon monoxide anion	sio-
285	SiO⁺	silicon monoxide cation	sio+
286	SiS^-	silicon monosulfide anion	sis-
287	SiS⁺	silicon monosulfide cation	sis+
288	CSe^-	Carbon monoselenide anion	cse-
289	CSe⁺	Carbon monoselenide cation	cse+
290	NS^-	nitrogen sulfide anion	ns-
291	NS⁺	nitrogen sulfide cation	ns+
292	PO^-	phosphorus monoxide anion	po-
293	PO⁺	phosphorus monoxide cation	po+
294	PS^-	phosphorus monosulfide anion	ps-
295	PS⁺	phosphorus monosulfide cation	ps+
296	AsO	Arsenic monoxide	aso
297	O₂⁺	diatomic oxygen cation	o2+
298	SO^-	sulfur monoxide anion	so-
299	S₂^-	sulfur diatomic anion	s2-
300	S₂⁺	sulfur diatomic cation	s2+
301	SeO^-	selenium monoxide anion	seo-
302	SeO⁺	selenium monoxide cation	seo+
303	SeS	Selenium monosulfide	ses
304	SeS^-	selenium monosulfide anion	ses-
305	SeS⁺	selenium monosulfide cation	ses+
306	TeO	Tellurium monoxide	teo
307	Se₂^-	selenium diatomic anion	se2-
308	Se₂⁺	selenium diatomic cation	se2+
309	Te₂	Tellurium diatomic	te2
310	NaOH	sodium hydroxide	naoh
311	KOH	Potassium hydroxide	koh
312	MgOH	magnesium hydroxide	mgoh
313	CaOH	Calcium monohydroxide	caoh
314	HCS	Thioformyl radical	hcs
315	HCS^-	Thioformyl anion	hcs-
316	HCS⁺	Thioformyl cation	hcs+
317	HNO^-	Nitrosyl hydride anion	hno-
318	HNS	Sulfur imide	hns
319	HNS^-	Sulfur imide anion	hns-
320	HO₂^-	Hydroperoxy anion	ho2-
321	HS₂	Thiosulfeno radical	hs2
322	H₂CO	Formaldehyde	h2co
323	HOCH	hydroxycarbene	hoch
324	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
325	CH₃O	Methoxy radical	ch3o
326	CH₃S	thiomethoxy	ch3s
327	NH₃O	Ammonia Oxide	nh3o
328	H₂POH	Phosphinous acid	h2poh
329	H₃PO	Phosphine oxide	h3po
330	NH₂SH	Thiohydroxylamine	nh2sh
331	NH₃S	sulfidoazane	nh3s
332	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
333	CH₃SeH	Methane selenol	ch3seh
334	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
335	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
336	H₂ONH₃	Water Ammonia Dimer	h2onh3
337	LiCl^-	lithium chloride anion	licl-
338	LiCl⁺	lithium chloride cation	licl+
339	NaF^-	sodium fluoride anion	naf-
340	KF	Potassium Fluoride	kf
341	NaCl^-	sodium chloride anion	nacl-
342	KCl	Potassium Chloride	kcl
343	CuF	Copper monofluoride	cuf
344	LiBr^-	lithium bromide anion	libr-
345	LiBr⁺	lithium bromide cation	libr+
346	CuCl	Copper monochloride	cucl
347	NaBr	Sodium Bromide	nabr
348	NaBr^-	sodium bromide anion	nabr-
349	NaBr⁺	sodium bromide cation	nabr+
350	KBr	Potassium Bromide	kbr
351	LiI	Lithium Iodide	lii
352	NaI	Sodium Iodide	nai
353	KI	Potassium Iodide	ki
354	LiF^-	lithium fluoride anion	lif-
355	BeF	Beryllium monofluoride	bef
356	BeF^-	Beryllium monofluoride anion	bef-
357	BeF⁺	Beryllium monofluoride cation	bef+
358	BeCl	beryllium monochloride	becl
359	MgF	Magnesium monofluoride	mgf
360	MgF^-	magnesium fluoride anion	mgf-
361	CaF	Calcium monofluoride	caf
362	MgCl	magnesium monochloride	mgcl
363	MgCl^-	magnesium monochloride anion	mgcl-
364	MgCl⁺	magnesium monochloride cation	mgcl+
365	CaCl	calcium monochloride	cacl
366	TiCl	Titanium Monochloride	ticl
367	ZnF^-	Zinc monofluoride anion	znf-
368	ZnF⁺	Zinc monofluoride cation	znf+
369	ZnCl	Zinc monochloride	zncl
370	BeCl^-	beryllium monochloride anion	becl-
371	BeCl⁺	beryllium monochloride cation	becl+
372	BF^-	Boron monofluoride anion	bf-
373	BF⁺	Boron monofluoride cation	bf+
374	AlF^-	Aluminum monofluoride anion	alf-
375	AlF⁺	Aluminum monofluoride cation	alf+
376	BCl	boron monochloride	bcl
377	BCl^-	boron monochloride anion	bcl-
378	BCl⁺	boron monochloride cation	bcl+
379	AlCl	Aluminum monochloride	alcl
380	AlCl^-	aluminum monochloride anion	alcl-
381	AlCl⁺	aluminum monochloride cation	alcl+
382	BBr	Boron monobromide	bbr
383	AlI	Aluminum monoiodide	ali
384	CF^-	carbon monofluoride anion	cf-
385	CF⁺	carbon monofluoride cation	cf+
386	CCl	carbon monochloride	ccl
387	CCl^-	carbon monochloride anion	ccl-
388	CCl⁺	carbon monochloride cation	ccl+
389	SiF^-	silicon monofluoride anion	sif-
390	SiCl^-	silicon monochloride anion	sicl-
391	SiCl⁺	silicon monochloride cation	sicl+
392	SiBr	Silicon monobromide	sibr
393	NF	nitrogen fluoride	nf
394	NF^-	nitrogen monofluorine anion	nf-
395	NF⁺	nitrogen monofluoirde cation	nf+
396	NCl^-	nitrogen monochloride anion	ncl-
397	NCl⁺	nitrogen monochloride cation	ncl+
398	PF	phosphorus monofluoride	pf
399	PF^-	phosphorus monofluoride anion	pf-
400	PF⁺	phosphorus monofluoride cation	pf+
401	PCl	phosphorus chloride	pcl
402	PCl^-	phosphorus monochloride anion	pcl-
403	PCl⁺	phosphorus monochloride cation	pcl+
404	NBr	nitrogen monobromide	nbr
405	SbF	Antimony monofluoride	sbf
406	SbCl	Antimony monochloride	sbcl
407	FO^-	flourine oxide anion	fo-
408	FO⁺	fluorine monoxide cation	fo+
409	ClO^-	chlorine monoxide anion	clo-
410	SF^-	sulfur monofluoride anion	sf-
411	SCl	sulfur monochloride	scl
412	SCl^-	sulfur monochloride anion	scl-
413	BrO^-	Bromine monoxide anion	bro-
414	IO	Iodine monoxide	io
415	ClF^-	clorine monofluoride anion	clf-
416	Cl₂^-	chlorine diatomic anion	cl2-
417	BrF^-	bromine fluoride anion	brf-
418	BrF⁺	bromine fluoride cation	brf+
419	BrCl^-	bromine chloride anion	brcl-
420	BrCl⁺	bromine chloride cation	brcl+
421	IF	Iodine monofluoride	if
422	ICl	Iodine monochloride	icl
423	IBr	Iodine monobromide	ibr
424	I₂	Iodine diatomic	i2
425	I₂⁺	Iodine diatomic cation	i2+
426	HCCl	Chloromethylene	hccl
427	CHBr	bromomethylene	chbr
428	DOCl	Hypochlorous acid-d	docl
429	HOBr	Hypobromous acid	hobr
430	HOBr⁺	Hypobromous acid cation	hobr+
431	HOI	Hypoiodous acid	hoi
432	FHF	Hydrogen difluoride	fhf
433	FHF^-	Hydrogen difluoride anion	fhf-
434	NH₂F	monofluoroamine	nh2f
435	H₂F₂	Hydrogen fluoride dimer	h2f2
436	CD₃F	methylfluoride-d3	cd3f
437	CD₃Cl	methyl chloride d3	cd3cl
438	SiH₃Br	bromosilane	sih3br
439	CH₃I	methyl iodide	ch3i
440	SiH₃I	Silyl Iodide	sih3i
441	Ne₂	Neon diatomic	ne2
442	C₃H₃	cyclopropenyl radical	cpr
443	C₃H₃	Propargyl radical	propargyl
444	C₃H₃^-	Propargyl anion	c3h3-
445	C₃H₃⁺	cyclopropenyl cation	cpr+
446	C₃H₃⁺	Propargyl cation	c3h3+
447	C₃H₅	Allyl radical	allyl
448	C₃H₅⁺	Allyl cation	allyl+
449	CH₃CHCH	1-propenyl radical	ch3chch
450	Zn(CH₃)₂	dimethyl zinc	dmz
451	C₃H₆	Cyclopropane	c3h6
452	SiH₂(CH₃)₂	dimethylsilane	dms
453	KCN	Potassium cyanide	kcn
454	CN₂	3H-Diazirin-3-ylidene	cn2
455	NCN	Cyanoimidogen	ncn
456	N₃^-	azide anion	n3-
457	HCNN	diazomethyl radical	hcnn
458	CH₂N₂	diazirine	ch2n2
459	CH₂NN	diazomethane	ch2nn
460	NH₂CN	cyanamide	cyanamide
461	CH₃CN^-	acetonitrile anion	ch3cn-
462	CH₃CN⁺	Acetonitrile cation	ch3cn+
463	CH₃NC	methyl isocyanide	ch3nc
464	CHNCH₂	2H-Azirine	c157164
465	CHNHCH	1H-Azirine	chnhch
466	H₂CCNH	Ethenimine	ch2cnh
467	H₂CNCH	methyleneaminomethylene	ch2nch
468	HCCNH₂	Ethynamine	hccnh2
469	NCNH₃⁺	Cyanamide, protonated	ncnh3+
470	CH₂CHNH	vinylazine	ch2chnh
471	CH₃CHN	methylmethaniminyl radical	ch3chn
472	NHCHNH₂	aminomethanimine	cn2h4
473	C₂H₅N	Aziridine	c2h5n
474	CH₂CHNH₂	aminoethene	aminoethene
475	CH₂NCH₃	N-methylmethanimine	nmm
476	CH₃CHNH	ethanimine	ethanimine
477	NH₂BHNH₂	diaminoborane	nh2bhnh2
478	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
479	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
480	CH₃NHCH₃	Dimethylamine	ch3nhch3
481	CH₃PHCH₃	dimethylphosphine	ch3phch3
482	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
483	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
484	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
485	Li₂O⁺	dilithium oxide cation	li2o+
486	CNO^-	fulminate	cno-
487	NCO^-	cyanate	nco-
488	SCN	thiocyanato radical	scn
489	SCN^-	thiocyanide anion	scn-
490	BO₂	Boron dioxide	bo2
491	BO₂^-	Boron dioxide anion	bo2-
492	BO₂⁺	Boron dioxide cation	bo2+
493	N₂O⁺	Nitrous oxide cation	n2o+
494	NNS	Nitrogen sulfide	nns
495	PPO	Phosphorus oxide phosphide	ppo
496	CO₂	Carbon dioxide	co2
497	CO₂^-	Carbon dioxide anion	co2-
498	CO₂⁺	Carbon dioxide cation	co2+
499	OCS⁺	Carbonyl sulfide cation	cos+
500	SiO₂	silicon dioxide	sio2
501	CS₂^-	Carbon disulfide anion	cs2-
502	CS₂⁺	Carbon disulfide cation	cs2+
503	TiO₂	Titanium dioxide	tio2
504	SiS₂	Silicon disulfide	sis2
505	GeS₂	Germanium disulfide	ges2
506	CSe₂	Carbon diselenide	cse2
507	SCTe	Carbon sulfide Telluride	scte
508	NO₂^-	Nitrogen dioxide anion	no2-
509	PO₂	Phosphorus dioxide	po2
510	PO₂^-	Phosphorus dioxide anion	po2-
511	PO₂⁺	Phosphorus dioxide cation	po2+
512	AsO₂	Aresenic dioxide	aso2
513	O₃^-	Ozone anion	o3-
514	O₃⁺	Ozone cation	o3+
515	SO₂^-	Sulfur dioxide anion	so2-
516	SO₂⁺	Sulfur dioxide cation	so2+
517	S₃^-	Sulfur trimer anion	s3-
518	TeO₂	Tellurium Dioxide	teo2
519	CS₂H⁺	Carbon disulfide, protonated	cs2h+
520	HCNO	fulminic acid	hcno
521	HNCO	Isocyanic acid	hnco
522	HOCN	cyanic acid	hocn
523	HNCS	Isothiocyanic acid	hncs
524	HSCN	thiocyanic acid	hscn
525	HCO₂^-	formate anion	hco2-
526	HNNO	nitrosoazane	hnno
527	HNNO⁺	Nitrous oxide, N-protonated	hnno+
528	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
529	HCOO	formate neutral radical	hcoo
530	HOCO⁺	Hydrocarboxyl cation	hoco+
531	HNO₂	Nitrous acid	hno2
532	HNO₂⁺	nitrous acid cation	hno2+
533	SO₂H⁺	protonated sulfur dioxide	so2h+
534	CH₂CO⁺	Ketene cation	ch2co+
535	HCCOH	ethynol	hccoh
536	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
537	CH₂O₂	Dioxirane	diox
538	H₂O₃	Hydrogen trioxide	h2o3
539	HSSSH	trisulfane	hsssh
540	NaOCH₃	Sodium methoxide	naoch3
541	CH₂CHO	Vinyloxy radical	ch2cho
542	CH₃CO	Acetyl radical	ch3co
543	CH₃CO^-	Acetyl anion	ch3co-
544	CH₃CO⁺	acetyl cation	ch3co+
545	CH₂NOH	formaldoxime	ch2noh
546	CH₃NO	nitrosomethane	ch3no
547	CHONH₂	formamide	formamide
548	CHSNH₂	thioformamide	chsnh2
549	CH₂OOH	CH2OOH radical	ch2ooh
550	CH₃OO	methylperoxy radical	ch3oo
551	CH₃OO^-	methylperoxy anion	ch3oo-
552	CH₃OO⁺	methylperoxy cation	ch3oo+
553	CH₂CHOH	ethenol	ch2choh
554	CH₃CHS	Thioacetaldehyde	ch3chs
555	H₂CONH₂⁺	protonated formamide	h2conh2+
556	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
557	CH₂(OH)₂	methanediol	ch2o2h2
558	CH₃OOH	Methyl peroxide	ch3ooh
559	H₂OH₂CO	water formaldehyde dimer	h2oh2co
560	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
561	CH₃CH₂O	Ethoxy radical	ethoxy
562	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
563	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
564	CH₃OCH₂	methoxymethyl radical	ch3och2
565	NH₂CH₂OH	aminomethanol	nh2ch2oh
566	CH₃CH₂OH	Ethanol	etoh
567	CH₃OCH₃	Dimethyl ether	meome
568	CH₃SeCH₃	dimethylselenide	dmse
569	CH₃OHH₂O	methanol water dimer	ch3ohh2o
570	H₂OCH₃OH	water methanol dimer	h2och3oh
571	CuF₂	Copper difluoride	cuf2
572	ZnF₂	Zinc difluoride	znf2
573	FCN	Cyanogen fluoride	fcn
574	ClCN	chlorocyanogen	clcn
575	ICN	Cyanogen iodide	icn
576	BeF₂	Beryllium fluoride	bef2
577	MgF₂	Magnesium fluoride	mgf2
578	BeCl₂	Beryllium chloride	becl2
579	MgCl₂	Magnesium dichloride	mgcl2
580	CaCl₂	Calcium Chloride	cacl2
581	ZnCl₂	Zinc dichloride	zncl2
582	CaBr₂	Calcium dibromide	cabr2
583	CaF₂	Calcium difluoride	caf2
584	BrNO	Nitrosyl bromide	brno
585	INO	Nitrosyl iodide	ino
586	CF₂^-	Difluoromethylene anion	cf2-
587	CF₂⁺	Difluoromethylene cation	cf2+
588	SiF₂⁺	Silicon difluoride cation	sif2+
589	CCl₂	dichloromethylene	ccl2
590	CCl₂^-	dichloromethylene anion	ccl2-
591	CCl₂⁺	dichloromethylene cation	ccl2+
592	SiCl₂	Dichlorosilylene	sicl2
593	GeF₂	Germanium difluoride	gef2
594	CBr₂	dibromomethylene	cbr2
595	FOO	Dioxygen monofluoride radical	foo
596	ClOO	chloroperoxy radical	cloo
597	ClOO⁺	chloroperoxy cation	cloo+
598	OClO⁺	Chlorine dioxide cation	oclo+
599	ClS₂	Sulfur chloride	cls2
600	NF₂	Difluoroamino radical	nf2
601	NF₂⁺	Difluoroamino cation	nf2+
602	F₂O	Difluorine monoxide	f2o
603	SF₂^-	sulfur difluoride anion	sf2-
604	SF₂⁺	sulfur difluoride cation	sf2+
605	Cl₂O	Dichlorine monoxide	cl2o
606	SCl₂	Sulfur dichloride	scl2
607	BrOCl	Bromine hypochlorite	brocl
608	BrOBr	Bromine oxide	brobr
609	F₃^-	trifluoride anion	f3-
610	Cl₃^-	trichloride anion	cl3-
611	I₃^-	triiodide	i3-
612	HCCF⁺	fluoroacetylene cation	hccf+
613	HCCCl	Chloroacetylene	hcccl
614	HCCBr	bromoacetylene	hccbr
615	HFCO	formyl fluoride	hfco
616	COHCl	Formyl chloride	cohcl
617	COHBr	Formyl bromide	cohbr
618	BHF₂	Difluoroborane	bhf2
619	BHCl₂	Borane, dichloro-	bhcl2
620	CHCl₂	dichloromethyl radical	chcl2
621	CHBr₂	dibromomethyl radical	chbr2
622	HOClO	Chlorous acid	hoclo
623	CH₂FCl	fluorochloromethane	ch2fcl
624	CH₂BrF	Methane, bromofluoro-	ch2fbr
625	CH₂FI	fluoroiodomethane	ch2fi
626	CH₂ClI	chloroiodomethane	ch2cli
627	CH₂BrI	bromoiodomethane	ch2bri
628	CH₂I₂	Diiodomethane	ch2i2
629	SiH₂Cl₂	dichlorosilane	sih2cl2
630	CH₂CHF⁺	fluoroethene cation	ch2chf+
631	C₂H₃Cl	Ethene, chloro-	ch2chcl
632	C₂H₃Br	vinyl bromide	c2h3br
633	C₂H₃I	Vinyl iodide	c2h3i
634	CH₃OCl	methyl hypochlorite	ch3ocl
635	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
636	CHClCH₃	1-chloroethyl radical	chclch3
637	C₂H₅F	fluoroethane	c2h5f
638	CH₃CH₂Cl	Ethyl chloride	c2h5cl
639	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
640	C₂H₅I	Ethyl iodide	c2h5i
641	KrF₂	Krypton difluoride	krf2
642	XeF₂	Xenon difluoride	xef2
643	B₄H₁₀	Tetraborane(10)	b4h10
644	C₄⁺	Carbon tetramer cation	c4+
645	C₄H₂	Diacetylene	c4h2
646	C₄H₂⁺	diacetlyene cation	c4h2+
647	C₂H₃CCH	1-Buten-3-yne	c2h3cch
648	C₄H₄	cyclobutadiene	cbd
649	H₂CCCCH₂	Butatriene	h2cccch2
650	C₄H₆	1-Methylcyclopropene	c3100047
651	C₄H₆	Cyclobutene	c822355
652	C₄H₆	Methylenecyclopropane	c6142730
653	CH₂CCHCH₃	1,2-Butadiene	butad12
654	CH₂CHCHCH₂	1,3-Butadiene	c106990
655	CH₃CCCH₃	2-Butyne	c503173
656	CHCCH₂CH₃	1-Butyne	c107006
657	CH₃CHCHCH₂	methylallyl radical	c4h7
658	C₄H₈	methylcyclopropane	mcp
659	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
660	CH₂CHCH₂CH₃	1-Butene	bute1
661	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
662	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
663	B(CH₃)₃	trimethylborane	bme3
664	Al(CH₃)₃	trimethyl aluminum	tma
665	C(CH₃)₃	Tert-butyl radical	tbutyl
666	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
667	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
668	CH₃CH(CH₃)CH₃	Isobutane	isobutane
669	SiH(CH₃)₃	trimethylsilane	trimsi
670	C₂N₂⁺	Cyanogen cation	c2n2+
671	P₄	Phosphorus tetramer	p4
672	As₄	Arsenic tetramer	as4
673	HCCCN	Cyanoacetylene	hcccn
674	C₃H₃N	acrylonitrile	ch2chcn
675	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
676	CH₃N₃	methyl azide	ch3n3
677	NH₂CCNH₂	Diaminoacetylene	daa
678	NH₂CH₂CN	Aminoacetonitrile	aan
679	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
680	CH₅N₃	Guanidine	guanidine
681	C₄H₆	Bicyclo[1.1.0]butane	c157335
682	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
683	H₂NCHCHNH₂	diaminoethylene	dae
684	CH₆N₃⁺	guanidinium	ch6n3+
685	C₃H₇N	Cyclopropylamine	cpram
686	CH₇N₃	triaminomethane	tam
687	C₃H₇N	Azetidine	azet
688	C₄H₈	cyclobutane	cbutane
689	C₂H₈N₂	Ethylenediamine	ethdiam
690	CH₃NHNHCH₃	dimethyl hydrazine	dmh
691	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
692	N(CH₃)₃	Trimethylamine	trimeam
693	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
694	P(CH₃)₃	trimethylphosphine	tmp
695	N(SiH₃)₃	trisilylamine	tsa
696	As(CH₃)₃	trimethyl arsine	tmas
697	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
698	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
699	Li₂O₂	dilithium dioxide	li2o2
700	Na₂O₂	disodium dioxide	na2o2
701	K₂O₂	dipotassium dioxide	k2o2
702	B₂O₂	Diboron dioxide	b2o2
703	CO₃	Carbon trioxide	co3
704	CO₃^--	carbonate	co3--
705	CS₃^--	Carbonotrithioate	cs3--
706	NO₃	Nitrogen trioxide	no3
707	NO₃⁺	nitrogen trioxide cation	no3+
708	SO₃^-	Sulfur trioxide anion	so3-
709	SO₃⁺	Sulfur trioxide cation	so3+
710	SeO₃	selenium trioxide	seo3
711	TeO₃	Tellurium trioxide	teo3
712	HCO₃^-	bicarbonate anion	hco3-
713	HNO₃	Nitric acid	hno3
714	HSO₃	Hydroxysulfonyl radical	hso3
715	NH₂NO₂	nitramide	nh2no2
716	C₂H₂CO	cyclopropenone	c2h2co
717	HCCCHO	2-propynal	hcccho
718	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
719	H₂CO₃	Carbonic acid	h2co3
720	H₂CS₃	thiocarbonic acid	h2cs3
721	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
722	H₂SO₃	Sulfurous acid	h2so3
723	C₂H₃NO	Nitrosoethylene	c2h3no
724	HOCH₂CN	cyanomethanol	hoch2cn
725	CH₃COO^-	acetate anion	ch3coo-
726	CH₃ONO	Methyl nitrite	ch3ono
727	NH₂COOH	Carbamic acid	nh2cooh
728	H₃BO₃	Boric acid	h3bo3
729	H₃CO₃⁺	carbonic acid, protonated	h3co3+
730	C₃H₄O	2-Propyn-1-ol	c107197
731	C₃H₄O	allenol	c9000071
732	C₃H₄O	Cyclopropanone	cpone
733	C₃H₄O	Methylketene	c6004440
734	NH₂CONH₂⁺	Urea cation	urea+
735	NH₂CSNH₂	Thiourea	thiourea
736	C₂H₄O₂	1,3-dioxetane	c2h4o2
737	CH₃COOH	Acetic acid	ch3cooh
738	CH₃OCHO	methyl formate	ch3ocho
739	CHOCH₂OH	hydroxy acetaldehyde	haa
740	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
741	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
742	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
743	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
744	HCOOHH₂O	Formic acid water dimer	hcoohh2o
745	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
746	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
747	CH₃C(OH)=NH	Ethaninidic acid	eia
748	CH₃CHNOH	Acetaldoxime	acetaldoxime
749	CH₃CONH₂	Acetamide	acetamide
750	CH₃CSNH₂	Ethanethioamide	ch3csnh2
751	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
752	H₂NCOHNH₂⁺	urea, protonated	ureah+
753	C₂H₅OO	ethylperoxy radical	c2h5oo
754	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
755	C₃H₅OH	Cyclopropanol	cproh
756	C₃H₆O	2-Propen-1-ol	c107186
757	C₃H₆O	Acetone enol	enol
758	C₃H₆O	Oxetane	oxetane
759	C₃H₆O	Propylene oxide	prox
760	CH₃CH₂CHO	Propanal	propanal
761	CH₃COCH₃	Acetone	acetone
762	CH₃COCH₃^-	acetone anion	ch3coch3-
763	C₃H₆S	Thietane	thietane
764	C₃H₆S	Thiirane, methyl-	methiirane
765	CH₃CSCH₃	Thioacetone	ch3csch3
766	C₂H₆O₂	1,2-Ethanediol	ethdiol
767	CH₃OOCH₃	dimethylperoxide	dmp
768	CH₃SOCH₃	Dimethyl sulfoxide	dmso
769	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
770	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
771	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
772	HOCH₂CH₂NH₂	monoethanolamine	mea
773	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
774	CH₃OC₂H₅	Ethane, methoxy-	etome
775	C₃H₇SH	1-Propanethiol	prsh
776	CH₃CHSHCH₃	2-Propanethiol	isoprsh
777	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
778	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
779	Na₂F₂	Sodium Fluoride Dimer	na2f2
780	Na₂Cl₂	Disodium dichloride	na2cl2
781	C₂F₂	difluoroacetylene	c2f2
782	C₂Cl₂	dichloroacetylene	c2cl2
783	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
784	FNO₂	Nitryl fluoride	fno2
785	FONO	Nitrosyl hypofluorite	fono
786	ClNO₂	Nitryl chloride	clno2
787	ClONO	chlorine nitrite	clono
788	BrONO	Bromine nitrite	brono
789	N₂F₂	(Z)-Difluorodiazene	n2f2_z
790	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
791	COFCl	Carbonic chloride fluoride	cofcl
792	CCl₂O	Phosgene	cl2co
793	Cl₂CS	Thiophosgene	cl2cs
794	COBr₂	Carbonic dibromide	cobr2
795	BF₃	Borane, trifluoro-	bf3
796	BF₃^-	Borane, trifluoro- anion	bf3-
797	AlF₃	Aluminum trifluoride	alf3
798	BClF₂	Chlorodifluoroborane	bclf2
799	AlF₂Cl	Aluminum chloride difluoride	alclf2
800	ScF₃	Scandium trifluoride	ScF3
801	AlFCl₂	Aluminum dichloride fluoride	alcl2f
802	AlCl₃	Aluminum trichloride	alcl3
803	GaCl₃	Gallium trichloride	gacl3
804	BBr₃	Boron tribromide	bbr3
805	AlBr₃	Aluminum Bromide	albr3
806	ClO₃	Chlorine trioxide	clo3
807	ClO₃^-	chlorate anion	clo3-
808	BrO₃^-	Bromate anion	bro3-
809	CF₃	Trifluoromethyl radical	cf3
810	CF₃⁺	Trifluoromethyl cation	cf3+
811	SiF₃	Silicon trifluoride radical	sif3
812	SiF₃⁺	Silicon trifluoride cation	sif3+
813	CCl₃	Trichloromethyl radical	ccl3
814	CCl₃^-	Trichloromethyl anion	ccl3-
815	CCl₃⁺	Trichloromethyl cation	ccl3+
816	SiCl₃	trichlorosilyl radical	sicl3
817	SiCl₃⁺	trichlorosilyl cation	sicl3+
818	CBr₃	tribromomethyl radical	cbr3
819	FOOF	Perfluoroperoxide	foof
820	F₂SO	Thionyl Fluoride	f2so
821	ClOOCl	Dichlorine dioxide	cloocl
822	FSSF	Difluorodisulfane	fssf
823	S₂F₂	Thio-thionyl fluoride	s2f2
824	SOCl₂	thionyl chloride	socl2
825	SeOCl₂	selenium oxychloride	seocl2
826	NF₃^-	Nitrogen trifluoride anion	nf3-
827	NF₃⁺	Nitrogen trifluoride cation	nf3+
828	PF₃	Phosphorus trifluoride	pf3
829	NCl₃	nitrogen trichloride	ncl3
830	AsF₃	Arsenic trifluoride	asf3
831	PCl₃	Phosphorus trichloride	pcl3
832	SbF₃	Antimony Trifluoride	sbf3
833	AsCl₃	Arsenous trichloride	ascl3
834	SbCl₃	Antimony Trichloride	sbcl3
835	NBr₃	Nitrogen Tribromide	nbr3
836	PBr₃	Phosphorus tribromide	pbr3
837	AsBr₃	Arsenic tribromide	asbr3
838	NI₃	Nitrogen triiodide	ni3
839	PI₃	Phosphorus triiodide	pi3
840	ClSSCl	Disulfur dichloride	s2cl2
841	SF₃	Sulfur trifluoride	sf3
842	ClF₃	Chlorine trifluoride	clf3
843	BrF₃	Bromine trifluoride	brf3
844	IF₃	iodone trifluoride	if3
845	CHF₂Cl	difluorochloromethane	chf2cl
846	CHFCl₂	fluorodichloromethane	chfcl2
847	CDCl₃	trichloromethane-d	cdcl3
848	CHCl₃	Chloroform	chcl3
849	SiHCl₃	Trichlorosilane	sihcl3
850	CHFClBr	fluorochlorobromomethane	chfclbr
851	CHBrCl₂	Methane, bromodichloro-	chbrcl2
852	CHF₂I	difluoroiodomethane	chf2i
853	CHBr₂F	dibromofluoromethane	chbr2f
854	CHFClI	fluorochloroiodomethane	chfcli
855	CHCl₂I	dichloroiodomethane	chcl2i
856	CHClBr₂	Methane, dibromochloro-	chclbr2
857	CHBr₃	bromoform	chbr3
858	CHI₃	Iodoform	chi3
859	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
860	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
861	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
862	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
863	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
864	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
865	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
866	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
867	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
868	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
869	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
870	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
871	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
872	CH₃COF	Acetyl fluoride	ch3cof
873	CH₂ClCHO	chloroacetaldehyde	ch2clcho
874	CH₃COCl	Acetyl Chloride	ch3cocl
875	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
876	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
877	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
878	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
879	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
880	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
881	CH₂CFCH₃	2-fluoropropene	2fpro
882	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
883	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
884	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
885	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
886	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
887	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
888	CH₂FCH₂CH₃	1-Fluoropropane	prf1
889	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
890	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
891	CH₃CH₂CH₂Br	n-propyl bromide	prbr
892	CH₃CHBrCH₃	i-propyl bromide	iprbr
893	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
894	C₅H₄	pentatetraene	ptrene
895	C₅H₅	cyclopentadienyl radical	c5h5
896	C₅H₅^-	cylopentadienyl anion	c5h5-
897	C₅H₆	1,3-Cyclopentadiene	c542927
898	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
899	C₅H₆	3-Penten-1-yne, (E)-	c2004695
900	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
901	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
902	C₅H₆	Cyclopropylacetylene	c6746947
903	C₅H₆	Propellane	propellane
904	C₅H₇	1,3-pentadienyl radical	pdyl
905	C₅H₇	cyclopentenyl radical	cpyl
906	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
907	C₅H₈	1,2-Pentadiene	c591957
908	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
909	C₅H₈	1,3-Pentadiene, (E)-	c2004708
910	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
911	C₅H₈	1,4-Pentadiene	c591935
912	C₅H₈	1-pentyne	a1pentyne
913	C₅H₈	2,3-Pentadiene	c591968
914	C₅H₈	Cyclobutane, methylene-	c1120565
915	C₅H₈	Cyclopentene	c142290
916	C₅H₈	Ethenylcyclopropane	c693867
917	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
918	C₅H₁₀	1-Butene, 2-methyl-	c563462
919	C₅H₁₀	2-Butene, 2-methyl-	c513359
920	C₅H₁₀	2-Pentene, (E)-	c646048
921	C₅H₁₀	2-Pentene, (Z)-	c627203
922	C₅H₁₀	Cyclopentane	c287923
923	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
924	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
925	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
926	C₅H₁₂	Butane, 2-methyl-	buta2
927	C₅H₁₂	Pentane	pentane
928	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
929	Si(CH₃)₄	tetramethylsilane	tms
930	N₂O₃	Dinitrogen trioxide	n2o3
931	C₃H₂N₂	Malononitrile	c3h2n2
932	CH₂N₄	1H-Tetrazole	1htz
933	C₃H₃N₂	imidazolyl radical	im
934	C₃H₃N₂^-	imidizolyl anion	im-
935	C₂H₃N₃	1H-1,2,4-Triazole	c288880
936	C₄H₄N	pyrrolide radical	c4h4n
937	C₄H₄N^-	pyrrolide anion	c4h4n-
938	C₃H₄N₂	1H-Imidazole	1himidaz
939	C₃H₄N₂	1H-Pyrazole	1hpyraz
940	C₃H₄N₂	2H-Imidazole	imid2h
941	C₃H₄N₂	4H-Imidazole	imid4h
942	C₄H₅N	(E)-2-Butenenitrile	c627269
943	C₄H₅N	(Z)-2-Butenenitrile	c1190767
944	C₄H₅N	2H-pyrrole	pyrrole2
945	C₄H₅N	3H-pyrrole	pyrrole3
946	C₄H₅N	Cyclopropanecarbonitrile	c5500210
947	C₄H₅N	Pyrrole	pyrrole
948	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
949	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
950	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
951	C₄H₆N⁺	pyrrole, protonated	ppyr
952	C₃H₆N₂	3-Aminopropionitrile	c151188
953	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
954	CH₃CH₂CH₂CN	Butanenitrile	c109740
955	C₅H₈	Bicyclo[2.1.0]pentane	c185944
956	C₅H₈	Spiropentane	c157404
957	C₄H₉N	Cyclobutylamine	cbam
958	C₄H₉N	Pyrrolidine	pyrrolidine
959	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
960	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
961	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
962	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
963	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
964	NH(C₂H₅)₂	diethylamine	dea
965	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
966	C₃O₂⁺	Carbon suboxide cation	c3o2+
967	MgCO₃	Magnesium Carbonate	mgco3
968	BeCO₃	Beryllium Carbonate	beco3
969	CaCO₃	Calcium Carbonate	caco3
970	ONONO	Nitrosyl nitrite	onono
971	PO₄^---	phosphate	po4---
972	SO₄^--	sulfate	so4--
973	HOONO₂	peroxy nitric acid	hoono2
974	HSO₄^-	bisulfate anion	hso4-
975	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
976	C₃H₂O₂	Propiolic acid	c3h2o2
977	CHOCOOH	oxo acetic acid	oaa
978	CHOOCHO	diformyl ether	choocho
979	H₂SO₄	Sulfuric acid	h2so4
980	H₂SeO₄	Selenic acid	h2seo4
981	C₃H₃NO	Isoxazole	isox
982	C₃H₃NO	Oxazole	oxazole
983	C₃H₃NS	Thiazole	thiazole
984	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
985	CH₃NO₃	Methyl nitrate	ch3no3
986	H₃PO₄	Phosphoric Acid	h3po4
987	C₄H₄O	Furan	furan
988	C₄H₄O⁺	Furan cation	furan+
989	CH₃COCCH	3-butyn-2-one	c1423605
990	C₄H₄S	Thiophene	furans
991	C₄H₄Se	selenophene	c4h4se
992	C₃H₄O₂	β–Propiolactone	beta
993	C₃H₄O₂	2-Propenoic acid	propenoic2
994	C₃H₄O₂	Methyl glyoxal	megly
995	C₃H₄O₂	propanedial	propanedial
996	C₃H₄O₂	propenalol	propenalol
997	HOCHCCHOH	allenediol	aldiol
998	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
999	C₂H₄O₃	trioxolane124	triox
1000	HOCH₂COOH	Hydroxyacetic acid	hac
1001	CH₂CHCONH₂	Acrylamide	c79061
1002	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1003	CH₅N₃S	Hydrazinecarbothioamide	c79196
1004	H₂NCH₂COOH	Glycine	glycine
1005	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1006	C₄H₆O	cis-2-butenal	butenal2c
1007	C₄H₆O	Cyclobutanone	cbutone
1008	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1009	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1010	CH₂CHOCHCH₂	Vinyl ether	vinylether
1011	CHOCHCHCH₃	2-Butenal	butenal2
1012	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1013	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1014	CH₂CHSCHCH₂	Divinyl sulfide	divis
1015	C₂H₆N₂O	Urea, methyl-	c598505
1016	C₃H₆O₂	1,3-Dioxolane	dioxolane
1017	CH₃CH₂COOH	Propanoic Acid	propanoic
1018	CH₃COOCH₃	methyl acetate	aame
1019	HCOOC₂H₅	Ethyl formate	faee
1020	C₂H₆O₂S	Dimethyl sulfone	c67710
1021	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1022	C₃H₇NO	dimethylformamide	dmf
1023	C₃H₇NO	Propanamide	propanam
1024	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1025	C₄H₈O	Cyclobutanol	c2919235
1026	C₄H₈O	Furan, tetrahydro-	thf
1027	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1028	CH₃COCH₂CH₃	2-Butanone	buta2one
1029	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1030	CHOCH₂CH₂CH₃	Butanal	butanal
1031	C₄H₈S	Thiophene, tetrahydro-	tht
1032	C₃H₈O₂	1,3-Propanediol	c504632
1033	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1034	C₃H₈O₂	Methane, dimethoxy-	c109875
1035	C₃H₈O₂	Propylene glycol	c57556
1036	C₃H₈S₂	1,3-Propanedithiol	c109808
1037	C₄H₁₀O	1-Butanol	butanol1
1038	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1039	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1040	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1041	C₄H₁₀O	Ethoxy ethane	etoet
1042	C₄H₁₀O	Methyl propyl ether	meopr
1043	C₄H₁₀O	Propane, 2-methoxy-	c598538
1044	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1045	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1046	C₂H₅SC₂H₅	Diethyl sulfide	etset
1047	C₄H₉SH	1-Butanethiol	bush
1048	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1049	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1050	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1051	FNO₃	Fluorine nitrate	fno3
1052	ClONO₂	Chlorine nitrate	clono2
1053	BrONO₂	Bromine nitrate	brono2
1054	TiCl₄	Titanium tetrachloride	ticl4
1055	ClO₄^-	perchlorate anion	clo4-
1056	BF₄^-	tetrafluoroboron anion	bf4-
1057	ClFO₃	Perchloryl fluoride	clfo3
1058	SO₂F₂	Sulfuryl fluoride	so2f2
1059	SO₂Cl₂	Sulfuryl chloride	so2cl2
1060	F₃NO	Nitrogen trifluoride oxide	f3no
1061	F₃PO	Phosphoryl fluoride	pf3o
1062	Cl₃PO	Phosphoryl chloride	pcl3o
1063	CF₄	Carbon tetrafluoride	cf4
1064	SiF₄	Silicon tetrafluoride	sif4
1065	TiF₄	Titanium tetrafluoride	tif4
1066	CFCl₃	Trichloromonofluoromethane	cfcl3
1067	CF₃Br	Bromotrifluoromethane	cf3br
1068	GeF₄	Germanium tetrafluoride	gef4
1069	CCl₄	Carbon tetrachloride	ccl4
1070	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1071	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1072	SiCl₄	Silane, tetrachloro-	sicl4
1073	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1074	CF₃I	trifluoroiodomethane	cf3i
1075	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1076	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1077	GeCl₄	Germanium Tetrachloride	gecl4
1078	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1079	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1080	CCl₃I	trichloroiodomethane	ccl3i
1081	CFBr₃	fluorotribromomethane	cfbr3
1082	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1083	CBr₃Cl	tribromochloromethane	cbr3cl
1084	CF₂I₂	difluorodiiodomethane	cf2i2
1085	CBr₄	Carbon tetrabromide	cbr4
1086	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1087	SiBr₄	Silicon tetrabromide	sibr4
1088	CBr₃I	tribromoiododmethane	cbr3i
1089	GeBr₄	Germanium tetrabromide	gebr4
1090	CI₄	tetraiodomethane	ci4
1091	SiI₄	silicon tetraiodide	sii4
1092	ClOF₃	Chlorine trifluoride oxide	clof3
1093	SeF₄	Selenium tetrafluoride	sef4
1094	SCl₄	Sulfur tetrachloride	scl4
1095	C₂HF₃	Trifluoroethylene	c2hf3
1096	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1097	CHClCCl₂	Trichloroethylene	chclccl2
1098	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1099	HClO₄	perchloric acid	hclo4
1100	HSO₃F	Fluorosulfonic acid	hso3f
1101	CF₃OH	trifluoromethanol	cf3oh
1102	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1103	CHClCCHCl	1,3-dichloroallene	chclcchcl
1104	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1105	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1106	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1107	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1108	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1109	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1110	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1111	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1112	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1113	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1114	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1115	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1116	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1117	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1118	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1119	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1120	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1121	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1122	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1123	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1124	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1125	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1126	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1127	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1128	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1129	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1130	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1131	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1132	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1133	C₄H₉F	1-fluorobutane	butaf1
1134	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1135	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1136	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1137	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1138	XeF₄	Xenon tetrafluoride	xef4
1139	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1140	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1141	C₆H₂	hexatriyne	c6h2
1142	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1143	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1144	C₆H₄	Benzyne	benzyne
1145	C₆H₅	phenyl	phenyl
1146	C₆H₅^-	phenyl anion	phenyl-
1147	C₆H₆	Prismane	prismane
1148	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1149	C₆H₆	2,4-Hexadiyne	hexadiyne
1150	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1151	C₆H₆	Benzene	benzene
1152	C₆H₆	Benzvalene	bv
1153	C₆H₆	Dewar Benzene	dewar
1154	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1155	C₆H₆	Trimethylenecycopropane	tmcp
1156	C₆H₆⁺	Benzene cation	c6h6+
1157	C₆H₇⁺	benzene, protonated	c6h7+
1158	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1159	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1160	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1161	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1162	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1163	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1164	C₆H₈	3-Methylenecyclopentene	c930267
1165	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1166	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1167	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1168	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1169	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1170	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1171	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1172	C₆H₁₀	1,5-Hexadiene	c592427
1173	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1174	C₆H₁₀	1-Hexyne	hexyne1
1175	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1176	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1177	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1178	C₆H₁₀	2-Hexyne	c764352
1179	C₆H₁₀	3-Hexyne	hexyne3
1180	C₆H₁₀	cyclohexene	cyclohexene
1181	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1182	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1183	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1184	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1185	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1186	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1187	C₆H₁₂	(E)-2-Hexene	e2hexene
1188	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1189	C₆H₁₂	(E)-hex-3-ene	e3hexene
1190	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1191	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1192	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1193	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1194	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1195	C₆H₁₂	3-methylenepentane	c760214
1196	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1197	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1198	C₆H₁₂	Cyclohexane	cyclohexane
1199	C₆H₁₂	Cyclopentane, methyl-	c96377
1200	C₆H₁₂	Ethylcyclobutane	c4806615
1201	C₆H₁₂	hex-1-ene	hexene1
1202	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1203	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1204	C₆H₁₄	Hexane	hexane
1205	C₆H₁₄	Pentane, 2-methyl-	penta2
1206	C₆H₁₄	Pentane, 3-methyl-	penta3
1207	C₄N₂	2-Butynedinitrile	c4n2
1208	C₄H₂N₂	Fumaronitrile	c4h2n2
1209	C₂H₂N₄	sym-tetrazine	ttz
1210	C₃H₃N₃	1,3,5-Triazine	triazine135
1211	CH₃N₅	5-Aminotetrazole	c4418615
1212	C₄H₄N₂	1,3-Diazine	diazine13
1213	C₄H₄N₂	Pyrazine	pyrazine
1214	C₄H₄N₂	Pyridazine	pyridazine
1215	C₄H₄N₂	Succinonitrile	c110612
1216	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1217	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1218	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1219	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1220	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1221	C₅H₅N	Pyridine	pyridine
1222	B₃N₃H₆	borazine	borazine
1223	C₆H₆	Fulvene	fulvene
1224	C₅H₆N⁺	Pyridinium	c5h6n
1225	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1226	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1227	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1228	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1229	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1230	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1231	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1232	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1233	C₅H₉N	Pentanenitrile	c110598
1234	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1235	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1236	C₅H₁₁N	Cyclopentanamine	cypentam
1237	C₅H₁₁N	Piperidine	piper
1238	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1239	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1240	Li₂CO₃	Lithium Carbonate	li2co3
1241	Na₂CO₃	Sodium Carbonate	na2co3
1242	C₂O₄^--	oxalate anion	c2o4
1243	MgSO₄	Magnesium Sulfate	mgso4
1244	N₂O₄	Dinitrogen tetroxide	n2o4
1245	C₂H₂O₄	Oxalic Acid	oxalic
1246	C₂H₃NO₃	Oxamic acid	oxamic
1247	C₄H₄O₂	2(5H)-Furanone	furanone
1248	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1249	C₂H₄N₂O₂	Oxalamide	oxalamide
1250	C₂H₄N₂S₂	Ethanedithioamide	c79403
1251	C₂H₄CO₃	Ethylene carbonate	etco3
1252	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1253	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1254	C₂H₄O₄	Formic acid dimer	fadimer
1255	C₄H₅NO	3-Methylisoxazole	isox3m
1256	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1257	C₄H₅NS	4-Methylthiazole	c693958
1258	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1259	C₅H₆O	2-methylfuran	furan2m
1260	C₅H₆O	3-Methylfuran	furan3m
1261	C₅H₆O	Pentadienal	pdal
1262	C₅H₆S	Thiophene, 2-methyl-	c554143
1263	C₅H₆S	Thiophene, 3-methyl-	c616444
1264	C₄H₆O₂	2,3-Butanedione	c431038
1265	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1266	C₄H₆O₂	Crotonic Acid	crot
1267	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1268	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1269	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1270	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1271	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1272	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1273	C₄H₆OS	Vinyl sulfoxide	c1115157
1274	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1275	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1276	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1277	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1278	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1279	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1280	C₄H₇NO	2-Pyrrolidinone	c616455
1281	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1282	C₄H₇NO	Methacrylamide	c79390
1283	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1284	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1285	C₃H₇ONO	Propyl nitrite	prono
1286	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1287	CH₃CH(NH₂)COOH	Alanine	alanine
1288	CH₃NHCH₂COOH	Sarcosine	sarcosine
1289	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1290	NH₂COOC₂H₅	Urethane	urethane
1291	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1292	C₅H₈O	Cyclopentanone	c120923
1293	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1294	C₅H₈O	Methyl cyclopropyl ketone	c765435
1295	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1296	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1297	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1298	C₄H₈O₂	1,3-Dioxane	dioxan13
1299	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1300	C₄H₈O₂	1,4-Dioxane	dioxan14
1301	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1302	C₄H₈O₂	Ethyl acetate	c141786
1303	C₄H₈OS	s-Ethyl thioacetate	c625605
1304	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1305	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1306	C₄H₉NO	Butanamide	c541355
1307	C₄H₉NO	Propanamide, 2-methyl-	c563837
1308	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1309	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1310	C₅H₁₀O	2-methylbutyraldehyde	2meba
1311	C₅H₁₀O	2-Pentanone	mpk
1312	C₅H₁₀O	3-Pentanone	dek
1313	C₅H₁₀O	Cyclopentanol	c96413
1314	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1315	C₅H₁₀O	Pentanal	pal
1316	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1317	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1318	C₅H₁₀S	Cyclopentanethiol	c1679078
1319	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1320	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1321	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1322	C₄H₁₀O₂	1,3-Butanediol	budiol13
1323	C₄H₁₀O₂	1,4-Butanediol	budiol14
1324	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1325	C₄H₁₀OS	Diethyl sulfoxide	c70291
1326	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1327	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1328	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1329	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1330	C₅H₁₂O	1-Pentanol	pentanol1
1331	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1332	C₅H₁₂O	2-Pentanol	peol2
1333	C₅H₁₂O	3-Pentanol	pentan3ol
1334	C₅H₁₂O	Butane, 1-methoxy-	meobu
1335	C₅H₁₂O	Propane, 1-ethoxy-	proet
1336	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1337	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1338	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1339	C₅H₁₂S	1-Pentanethiol	c110667
1340	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1341	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1342	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1343	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1344	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1345	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1346	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1347	C₄F₂	difluorobutadiyne	c4f2
1348	ClCOClCO	Oxalyl chloride	oxcl
1349	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1350	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1351	B₂F₄	Diboron tetrafluoride	b2f4
1352	B₂Cl₄	Diboron tetrachloride	b2cl4
1353	C₂F₄	Tetrafluoroethylene	c2f4
1354	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1355	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1356	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1357	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1358	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1359	C₂FCl₃	fluorotrichloroethene	c2fcl3
1360	C₂Cl₄	Tetrachloroethylene	c2cl4
1361	C₂Br₄	tetrabromoethene	c2br4
1362	CF₃OF	Trifluoromethylhypofluorite	cf3of
1363	SiF₅^-	silicon pentafluoride anion	sif5-
1364	SOF₄	Sulfur tetrafluoride oxide	sof4
1365	PF₅	Phosphorus pentafluoride	pf5
1366	AsF₅	Arsenic pentafluoride	asf5
1367	PCl₅	Phosphorus pentachloride	pcl5
1368	SF₅	Sulfur pentafluoride	sf5
1369	SF₅⁺	pentafluoro sulfur cation	sf5+
1370	SbCl₅	Antimony pentachloride	sbcl5
1371	BrF₅	bromine pentafluoride	brf5
1372	ClF₅	chlorinepentafluoride	clf5
1373	IF₅	pentafluoroiodine	if5
1374	CF₃CHO	trifluoroacetaldehyde	cf3cho
1375	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1376	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1377	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1378	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1379	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1380	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1381	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1382	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1383	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1384	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1385	CF₃COOH	trifluoroacetic acid	cf3cooh
1386	C₄H₃ClO	Furan, 2-chloro	fur2cl
1387	C₄H₃ClO	Furan,3-chloro	fur3cl
1388	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1389	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1390	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1391	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1392	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1393	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1394	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1395	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1396	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1397	C₄H₈O₂	Butanoic acid	bua
1398	C₆H₅CH₂	benzyl radical	benzyl
1399	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1400	C₆H₅CH₃	toluene	toluene
1401	C₇H₈	cycloheptatriene	cht
1402	C₇H₈	Norbornadiene	norbor
1403	C₇H₈	Quadricyclane	qucy
1404	C₇H₁₂	Norbornane	nor
1405	C₇H₁₄	cycloheptane	c7h14
1406	C₇H₁₆	2-methylhexane	2mhex
1407	C₇H₁₆	3-methylhexane	hex3m
1408	C₇H₁₆	heptane	heptane
1409	CH(CN)₃	tricyanomethane	mecn3
1410	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1411	C₆H₇N	2-Methylpyridine	mp
1412	C₆H₅NH₂	aniline	aniline
1413	C₆H₁₃N	2-Methylpiperidine	pip2m
1414	C₆H₁₃N	cyclohexanamine	cham
1415	C₆H₁₅N	triethylamine	tea
1416	N₂O₅	Dinitrogen pentoxide	n2o5
1417	C₄H₂O₃	Maleic Anhydride	malan
1418	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1419	C₅H₄O₂	furfural	furfural
1420	C₆H₅O	phenoxy radical	phenoxy
1421	C₅H₅NO	2(1H)-Pyridinone	c72762006
1422	C₅H₅NO	2(3H)-Pyridinone	c9000048
1423	C₅H₅NO	2(5H)-Pyridinone	c9000037
1424	C₅H₅NO	2-Pyridinol	c109104
1425	C₅H₅NO	3(2H)-Pyridinone	c9000004
1426	C₅H₅NO	3(4H)-Pyridinone	c9000026
1427	C₅H₅NO	3(6H)-Pyridinone	c9000015
1428	C₅H₅NO	3-Pyridinol	c109002
1429	C₅H₅NO	4(1H)-Pryidinone	c9000060
1430	C₅H₅NO	4(3H)-Pryidinone	c9000059
1431	C₅H₅NO	4-Pyridinol	c626642
1432	C₆H₅OH	phenol	phenol
1433	C₆H₆O	2,4-Cyclohexadienone	c24599573
1434	C₆H₆O	2,5-Cyclohexadienone	c5664335
1435	C₆H₅SH	Benzenethiol	phsh
1436	HO₂CCHNH₂CH₂OH	Serine	serine
1437	C₅H₈O₂	Acetylacetone	acac
1438	C₄H₈O₂S	Sulfolane	sulfolane
1439	C₇H₁₀	Norbornene	norbornene
1440	CH(C₂H₃)₃	trivinyl methane	tvm
1441	C₆H₁₀O	cyclohexanone	chexo
1442	C₆H₁₂O	hexanal	c6h12o
1443	C₆H₁₂O	Oxepane	oxepane
1444	C₃H₇OC₃H₇	di-n-propyl ether	propr
1445	F₂CCCF₂	tetrafluoroallene	pfa
1446	CF₃COO^-	trifluoro acetate anion	cf3coo-
1447	CF₃COF	trifluoroacetyl fluoride	cf3cof
1448	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1449	PF₆	Hexafluorophosphate neutral	pf6
1450	PF₆^-	Hexafluorophosphate ion	pf6-
1451	SeF₆	Selenium hexafluoride	sef6
1452	SF₅Cl	sulfur chloropentafluoride	sf5cl
1453	CF₃CHF₂	pentafluoroethane	cf3chf2
1454	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1455	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1456	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1457	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1458	C₆H₅F	Fluorobenzene	bzf
1459	C₆H₅Cl	chlorobenzene	bzcl
1460	C₆H₅Br	bromobenzene	bzbr
1461	C₈H₆	Calicene	calicene
1462	C₆H₅CCH	phenylacetylene	phac
1463	C₈H₆	benzocyclobutadiene	bcbd
1464	C₈H₆	Pentalene	pentalene
1465	C₆H₅CHCH₂	Styrene	styrene
1466	C₈H₈	cubane	cubane
1467	C₈H₈	cyclooctatetraene	cot
1468	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1469	CH₃C₆H₄CH₃	meta-xylene	mxylene
1470	CH₃C₆H₄CH₃	paraxylene	pxylene
1471	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1472	C₈H₁₆	cyclooctane	cyclooct
1473	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1474	C₈H₁₈	Octane	c8h18
1475	C₆H₅CN	phenyl cyanide	phcn
1476	C₆H₁₂N₂	Triethylenediamine	ted
1477	C₄O₄^--	squarate dianion	c4o4--
1478	S₄N₄	Tetrasulfur tetranitride	s4n4
1479	S₈	Octasulfur	s8
1480	C₆H₄O₂	parabenzoquinone	pbq
1481	C₄H₄N₂O₂	Uracil	uracil
1482	C₆H₅CHO	benzaldehyde	benzal
1483	C₆H₅OCH₃	Anisole	anisole
1484	C₅H₉NO₂	Proline	proline
1485	C₆H₁₂O₂	Methyl pivalate	c598981
1486	C₆H₁₂O₂	Hexanoic acid	hexa
1487	C₄F₄	tetrafluorcyclobutadiene	c4f4
1488	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1489	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1490	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1491	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1492	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1493	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1494	C₂F₆	hexafluoroethane	c2f6
1495	C₂Cl₆	hexachloroethane	c2cl6
1496	IF₇	Iodine heptafluoride	if7
1497	C₆H₄F₂	metadifluorobenzene	mdfb
1498	C₆H₄F₂	orthodifluorobenzene	odfb
1499	C₆H₄F₂	1,4-difluorobenzene	pdfb
1500	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1501	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1502	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1503	C₆H₅NO	nitrosobenzene	bzno
1504	C₉H₈	Indene	indene
1505	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1506	C₉H₁₂	n-propyl benzene	prbz
1507	C₉H₂₀	Nonane	nonane
1508	C(CN)₄	tetracyanomethane	c5n4
1509	C₅H₄N₄	purine	purine
1510	C₈H₇N	Indole	indole
1511	C₃H₃N₃O₃	cyanuric acid	cyanuric
1512	C₆H₅NO₂	Nitrobenzene	c6h5no2
1513	C₆H₅COOH	benzoic acid	benzo
1514	CH₃COC₆H₅	acetophenone	acph
1515	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1516	C₃F₆	hexafluoropropene	c3f6
1517	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1518	C₈H₁₈O	1-Octanol	octanol
1519	C₁₀H₈	Azulene	azu
1520	C₁₀H₈	naphthalene	naph
1521	C₁₀H₁₀	bullvalene	bullv
1522	C₁₀H₁₆	adamantane	adamantane
1523	C₆N₄	Tetracyanoethylene	tcne
1524	C₆N₄^-	tetracyanoethylene anion	tcne-
1525	C₁₀H₂₂	Decane	decane
1526	C₄F₆	perfluorobutadiene	c4f6
1527	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1528	C₃F₈	perfluoropropane	c3f8
1529	Fe(CO)₅	Iron pentacarbonyl	ipc
1530	Fe(C₅H₅)₂	ferrocene	fecp2
1531	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1532	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1533	C₁₂H₈	Acenaphthylene	acenaph
1534	C₁₂H₈	biphenylene	biph
1535	C₁₂H₁₀	biphenyl	biphenyl
1536	C₁₂H₁₀	Heptalene	heptalene
1537	C₆H₁₂O₆	Inositol	inositol
1538	C₆F₆	hexafluorobenzene	c6f6
1539	S₂F₁₀	disulphur decafluoride	s2f10
1540	C₁₃H₁₀	Fluorene	fluorene
1541	C₁₄H₁₀	Anthracene	anth
1542	C₁₄H₁₀	Phenanthrene	phenanthrene
1543	C₁₄H₁₄	Bibenzyl	bibenzyl
1544	C₁₂H₁₀N₂	azobenzene	azobenzene
1545	C₆H₅COC₆H₅	benzophenone	benzophenone
1546	C₁₆H₁₀	Pyrene	pyrene
1547	C₁₈H₁₂	Tetracene	tetracene
1548	C₁₉H₁₆	Triphenylmethane	tpm
1549	C₂₄H₁₂	Coronene	coronene
1550	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