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

List of which calculations are completed at QCISD(T)=FULL /aug-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	SiH₂D₂	silane-d2
70	SiH₄	Silane	¹A₁	T_d
71	GeH₄	Germane	¹A₁	T_d
72	SiH₅⁺	Silane, protonated
73	N	Nitrogen atom	⁴S	K_h
74	P	Phosphorus atom	⁴S	K_h
75	V	Vanadium atom	⁴F	K_h
76	V⁺	Vanadium atom cation	⁵D	K_h
77	As	Arsenic atomic	⁴S	K_h
78	As^-	Arsenic anion	³P	K_h
79	As⁺	Arsenic cation	³P	K_h
80	PH	phosphorus monohydride	³Σ^-	C_∞v
81	AsH	Arsenic monohydride	³Σ	C_∞v
82	NH₂	Amino radical	²B₁	C_2v
83	NH₂⁺	Amino cation	³B₁	C_2v
84	NH₂⁺	Amino cation	¹A₁	C_2v
85	NH₃	Ammonia	¹A₁	C_3v
86	NH₃^-	Ammonia anion	²A₁	C_3v
87	NH₃⁺	ammonia cation	²A₂^"	D_3h
88	PH₃	Phosphine	¹A₁	C_3v
89	PH₃⁺	Phosphine cation	²A₁	C_3v
90	AsH₃	Arsine	¹A₁	C_3v
91	AsH₃⁺	Arsine cation	²A₁	C_3v
92	AsH₄⁺	Arsonium
93	NH₄	Ammonium radical
94	NH₄⁺	ammonium cation	¹A₁	T_d
95	PH₄	Phosphoranyl radical
96	PH₄⁺	phosphonium cation
97	O	Oxygen atom	³S	K_h
98	S	Sulfur atom	³P	K_h
99	S	Sulfur atom
100	S^-	Sulfur atom anion	²P	K_h
101	S⁺	Sulfur atom cation	⁴S	K_h
102	Se	Selenium atom	³P	K_h
103	Se^-	Selenium atom anion	²P	K_h
104	Se⁺	Selenium atom cation	⁴S	K_h
105	OH	Hydroxyl radical	²Π	C_∞v
106	OH^-	hydroxide anion	¹Σ	C_∞v
107	OH⁺	hydoxyl cation	³Σ	C_∞v
108	HS	Mercapto radical	²Π	C_∞v
109	HS^-	mercapto anion	¹Σ	C_∞v
110	HS⁺	sulfur monohydride cation	³Σ	C_∞v
111	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
112	HSe	Selenium monohydride	²Π	C_∞v
113	HSe^-	selenium monohydride anion	¹Σ	C_∞v
114	HSe⁺	selenium monohydride cation	³Σ	C_∞v
115	H₂O	Water	¹A₁	C_2v
116	H₂O^-	water anion	²A₁	C_2v
117	H₂O^-	water anion	²A^'	C_s
118	H₂O⁺	water cation	²B₁	C_2v
119	HDO	Water-d1	¹A₁	C_2v
120	H₂S	Hydrogen sulfide	¹A₁	C_2v
121	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
122	H₂Se	Hydrogen selenide	¹A₁	C_2v
123	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
124	H₃O⁺	hydronium cation	¹A₁	C_3v
125	H₃S⁺	Sulfonium cation	¹A₁	C_3v
126	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
127	F	Fluorine atom	²P	K_h
128	F^-	Fluorine atom anion	¹S	K_h
129	F⁺	Fluorine atom cation	³S	K_h
130	F⁺	Fluorine atom cation	¹D	K_h
131	Cl	Chlorine atom	²P	K_h
132	Cl^-	Chlorine atom anion	¹S	K_h
133	Cl⁺	Chlorine atom cation	³P	K_h
134	Cl⁺	Chlorine atom cation	¹D	K_h
135	Br	Bromine atom	²P	K_h
136	Br^-	Bromine atom anion	¹S	K_h
137	Br⁺	Bromine atom cation	³P	K_h
138	HF	Hydrogen fluoride	¹Σ	C_∞v
139	HF^-	hydrogen fluoride anion	²Σ	C_∞v
140	HF⁺	hydrogen fluoride cation	²Π	C_∞v
141	HCl	Hydrogen chloride	¹Σ	C_∞v
142	HCl^-	hydrogen chloride anion	²Σ	C_∞v
143	HCl⁺	hydrogen chloride cation	²Π	C_∞v
144	HBr	hydrogen bromide	¹Σ	C_∞v
145	HBr^-	hydrogen bromide anion	²Σ	C_∞v
146	HBr⁺	hydrogen bromide cation	²Π	C_∞v
147	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
148	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
149	Ne	Neon atom	¹S	K_h
150	Ne	Neon atom
151	Kr	Krypton atom	¹S	K_h
152	Kr⁺	Krypton cation	²P	K_h
153	HeLi⁺	Helium Lithium cation
154	ArH⁺	Argon hydride cation	¹Σ	C_∞v
155	KrH⁺	Protonated Krypton	¹Σ	C_∞v
156	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
157	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
158	NaLi	lithium sodium	¹Σ	C_∞v
159	Na₂	Sodium diatomic	¹Σ_g	D_∞h
160	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
161	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
162	BeMg	Beryllium Magnesium	¹Σ	C_∞v
163	LiB	Lithium boride	³Π	C_∞v
164	LiAl	Lithium Aluminum
165	NaAl	Sodium aluminum	¹Σ	C_∞v
166	BeB	Beryllium monoboride	²Π	C_∞v
167	B₂	Boron diatomic	¹Σ_g	D_∞h
168	B₂⁺	Boron diatomic cation	²Π	D_∞h
169	BAl	Boron Aluminum	³Σ	C_∞v
170	BGa	Boron Gallium	³Σ	C_∞v
171	AlGa	Aluminum Gallium	³Σ	C_∞v
172	AlGa	Aluminum Gallium	¹Σ	C_∞v
173	Ga₂	Gallium diatomic	³P_iu
174	HBBH	Diborane(2)	³Σ_G	D_∞h
175	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
176	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
177	B₂H₆	Diborane	¹A_g	D_2h
178	B₂H₆⁺	Diborane cation
179	Ga₂H₆	digallane	¹A_G	D_2h
180	BeC	Beryllium Carbide	³Σ^-	C_∞v
181	BeC	Beryllium Carbide
182	AlC	Aluminum carbide	⁴Σ	C_∞v
183	BSi	Boron silicide	⁴Σ	C_∞v
184	BSi	Boron silicide	²Σ	C_∞v
185	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
186	C₂	Carbon diatomic	³Σ_g^-
187	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
188	GeC	Germanium monocarbide	¹Σ	C_∞v
189	SiGe	Silicon Germanium
190	C₂H	Ethynyl radical	²Σ	C_∞v
191	C₂H^-	Ethynyl anion	¹Σ	C_∞v
192	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
193	C₂H₂⁺	acetylene cation
194	H₂CC^-	vinylidene anion
195	HCCH^-	acetylene anion
196	HCCH^-	acetylene anion
197	Si₂H₂	disilyne
198	Si₂H₂	disilyne
199	Si₂H₂	disilyne
200	Si₂H₂	disilyne
201	CH₃Li	methyl lithium	¹A₁	C_3v
202	CH₂BH	methyleneborane	¹A₁	C_2v
203	C₂H₃	vinyl	²A^'	C_s
204	C₂H₃^-	vinyl anion	¹A^'	C_s
205	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
206	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
207	C₂H₄⁺	Ethylene cation	²B₃	D₂
208	Si₂H₄	Disilene
209	Si₂H₄	Disilene
210	Si₂H₄	Disilene
211	CH₃BH₂	methylborane	¹A^'	C_s
212	C₂H₅	Ethyl radical	²A^'	C_s
213	C₂H₆	Ethane	¹A_1g	D_3d
214	CH₃SiH₃	methyl silane	¹A₁	C₃
215	Si₂H₆	disilane	¹E_u	D_3d
216	LiN	Lithium Nitride	³Σ	C_∞v
217	LiP	Lithium monophosphide
218	LiP	Lithium monophosphide
219	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
220	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
221	MgN	Magnesium Nitride
222	MgN	Magnesium Nitride
223	BP	Boron monophosphide	³Π	C_∞v
224	BP	Boron monophosphide	¹Σ	C_∞v
225	AlP	Aluminum monophosphide	³Σ	C_∞v
226	AlP	Aluminum monophosphide	³Π	C_∞v
227	AlP	Aluminum monophosphide	¹Σ	C_∞v
228	GaP	Gallium monophosphide	³Σ	C_∞v
229	GaP	Gallium monophosphide	¹Σ	C_∞v
230	GaAs	Gallium arsenide	³Π
231	GaAs	Gallium arsenide	¹Σ
232	BN	boron nitride	³Π	C_∞v
233	BN	boron nitride	¹Σ	C_∞v
234	CN	Cyano radical	²Σ	C_∞v
235	CN^-	cyanide anion	¹Σ	C_∞v
236	SiP	Silicon monophosphide	²Π	C_∞v
237	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
238	N₂	Nitrogen diatomic
239	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
240	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
241	PN	Phosphorus mononitride	¹Σ	C_∞v
242	HCN	Hydrogen cyanide	¹Σ	C_∞v
243	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
244	HNC⁺	hydrogen isocyanide cation
245	HCP⁺	Phosphaethyne cation
246	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
247	LiNH₂	lithium amide
248	HBNH	Boranimine	¹Σ	C_∞v
249	H₂NN	Isodiazene
250	N₂H₂	(E)-diazene	¹A_g	C_2h
251	N₂H₂	(Z)-Diazene	¹A₁	C_2v
252	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
253	CH₂NH	Methanimine	¹A^'	C_s
254	CH₂NH⁺	Methanimine cation
255	CHNH₂	aminomethylene
256	CHNH₂⁺	Aminocarbene cation
257	BH₂NH₂	Boranamine
258	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
259	N₂H₄	Hydrazine	¹A	C₂
260	N₂H₄⁺	hydrazine cation	²A_G	C_2h
261	CH₃NH₂	methyl amine	¹A^'	C_s
262	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
263	SiH₃NH₂	Silane, amino
264	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
265	BH₃PH₃	borane phosphine
266	BH₃NH₃	borane ammonia	¹A₁	C_3v
267	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
268	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
269	N₂H₇⁺	ammonia ammonium dimer
270	LiO	lithium oxide	²Σ	C_∞v
271	LiS	Lithium monosulfide	²Π	C_∞v
272	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
273	NaO	sodium monoxide	²Σ	C_∞v
274	NaS	Sodium sulfide	²Π	C_∞v
275	LiSe	Lithium monoselenide
276	BO	boron monoxide	²Σ	C_∞v
277	ScO	Scandium monoxide	²Σ	C_∞v
278	GaO	Gallium monoxide	²Σ	C_∞v
279	GaS	Gallium monosulfide
280	CO	Carbon monoxide	¹Σ	C_∞v
281	CO^-	carbon monoxide anion	²Π	C_∞v
282	CO⁺	carbon monoxide cation	²Σ	C_∞v
283	SiO	Silicon monoxide	¹Σ	C_∞v
284	SiS	silicon monosulfide	¹Σ	C_∞v
285	TiO	Titanium monoxide	³Δ	C_∞v
286	CSe	Carbon monoselenide	¹Σ	C_∞v
287	GeO	Germanium monoxide	¹Σ	C_∞v
288	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
289	GeS	Germanium monosulfide	¹Σ	C_∞v
290	SiSe	Silicon Monoselenide
291	SiSe⁺	Silicon Monoselenide cation
292	GeSe	Germanium monoselenide
293	NO	Nitric oxide	²Π	C_∞v
294	NO^-	nitric oxide anion	³Σ	C_∞v
295	NO⁺	nitric oxide cation	¹Σ	C_∞v
296	NS	Mononitrogen monosulfide	²Π	C_∞v
297	PO	Phosphorus monoxide	²Π	C_∞v
298	PS	phosphorus sulfide	²Σ	C_∞v
299	VO	Vanadium monoxide	⁴Σ^-
300	NSe	Nitrogen monoselenide	²Π	C_∞v
301	AsS	Arsenic monosulfide	²Π	C_∞v
302	PSe	Phosphorus monoselenide	²Π	C_∞v
303	AsSe	Arsenic monoselenide	²Π	C_∞v
304	O₂	Oxygen diatomic	³Σ_g	D_∞h
305	O₂^-	oxygen diatomic anion	²Π	D_∞h
306	O₂^--	dioxygen dianion
307	SO	Sulfur monoxide	³Σ	C_∞v
308	SO	Sulfur monoxide	¹Σ	C_∞v
309	SO⁺	sulfur monoxide cation	²Π	C_∞v
310	S₂	Sulfur diatomic	³Σ_g	D_∞h
311	SeO	Selenium monoxide	³Σ	C_∞v
312	Se₂	Selenium diatomic	³Σ_g	D_∞h
313	LiOH	lithium hydroxide	¹Σ	C_∞v
314	BeOH	beryllium monohydroxide	²A^'	C_s
315	BeOH	beryllium monohydroxide	²Σ	C_∞v
316	HBO	Boron hydride oxide	¹Σ	C_∞v
317	HBS	hydrogen boron sulfide	¹Σ	C_∞v
318	COH	Hydroxymethylidyne
319	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
320	HCO	Formyl radical	²A^'	C_s
321	HCO^-	formyl anion	¹A^'	C_s
322	HCO⁺	Formyl cation	¹Σ	C_∞v
323	HNO	Nitrosyl hydride	¹A^'	C_s
324	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
325	NOH	Hydroxyimidogen	³A^"	C_s
326	NOH⁺	O-protonated nitric oxide	²A^'	C_s
327	HO₂	Hydroperoxy radical	²A^"	C_s
328	HO₂⁺	Hydroperoxy cation	³A^"	C_s
329	HSO⁺	Sulfur Monoxide, S-protonated
330	SOH	Sulfur Hydroxide
331	SOH⁺	Sulfur Monoxide, protonated
332	H₂CO^-	formaldehyde anion	²A^'	C_s
333	H₂CO^-	formaldehyde anion
334	H₂CO⁺	formaldehyde cation	²B₂	C_2v
335	H₂CS	Thioformaldehyde	¹A₁	C_2v
336	H₂CS^-	thioformaldehyde anion
337	H₂CS^-	thioformaldehyde anion
338	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
339	H₂CSe	Selenoformaldehyde
340	H₂NO	nitroxide	²B₁	C_2v
341	H₂NO	nitroxide	²A^'	C_s
342	H₂O₂	Hydrogen peroxide	¹A	C₂
343	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
344	H₂OO	water oxide
345	HOSH	hydrogen thioperoxide
346	H₂S₂	Disulfane	¹A	C₂
347	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
348	H₂Se₂	hydrogen diselenide
349	CH₂OH	Hydroxymethyl radical	²A	C₁
350	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
351	CH₃O^-	methoxy anion	¹A₁	C_3v
352	CH₃O⁺	Methoxy cation	³A₁	C_3v
353	NH₂OH	hydroxylamine	¹A^'	C_s
354	NH₂OH⁺	Hydroxylamine cation
355	CH₃OH	Methyl alcohol	¹A^'	C_s
356	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
357	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
358	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
359	CH₃SH	Methanethiol	¹A^'	C_s
360	CH₃SH⁺	Methanethiol cation	²A^"	C_s
361	SiH₃OH	silanol
362	NH₂OH₂⁺	protonated hydroxylamine
363	NH₃OH⁺	N-protonated hydroxylamine
364	H₂OH₂O	water dimer	¹A^'	C_s
365	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
366	LiF	lithium fluoride	¹Σ	C_∞v
367	LiCl	lithium chloride	¹Σ	C_∞v
368	NaF	sodium fluoride	¹Σ	C_∞v
369	NaF⁺	sodium fluoride cation	²Σ	C_∞v
370	NaCl	Sodium Chloride	¹Σ	C_∞v
371	NaCl⁺	sodium chloride cation	²Π	C_∞v
372	LiBr	Lithium Bromide	¹Σ	C_∞v
373	LiF⁺	lithium fluoride cation	²Π	C_∞v
374	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
375	ZnF	Zinc monofluoride	²Σ	C_∞v
376	BF	Boron monofluoride	¹Σ	C_∞v
377	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
378	ScF	Scandium monofluoride	¹Σ	C_∞v
379	GaF	Gallium monofluoride	¹Σ	C_∞v
380	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
381	AlBr	Aluminum monobromide
382	GaCl	Gallium monochloride	¹Σ_G	C_∞v
383	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
384	GaBr	Gallium monobromide
385	CF	Fluoromethylidyne	²Π	C_∞v
386	SiF	silicon monofluoride	²Π	C_∞v
387	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
388	SiCl	Clorosilylidyne	²Π	C_∞v
389	CBr	Carbon monobromide	²Π	C_∞v
390	GeF	Germanium monofluoride	²Π	C_∞v
391	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
392	GeCl	Germanium monochloride	²Π	C_∞v
393	GeCl⁺	Germanium monochloride cation
394	SiBr⁺	Silicon monobromide cation
395	NCl	nitrogen monochloride	³Σ	C_∞v
396	AsF	Arsenic monofluoride	³Σ	C_∞v
397	AsCl	Arsenic monochloride	³Σ	C_∞v
398	PBr	Phosphorus monobromide
399	FO	Oxygen monofluoride	²Π	C_∞v
400	ClO	Monochlorine monoxide	²Π	C_∞v
401	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
402	SF	Monosulfur monofluoride	²Π	C_∞v
403	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
404	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
405	BrO	Bromine monoxide	²Π	C_∞v
406	BrO⁺	Bromine monoxide cation
407	SeF	Selenium monofluoride	²Π	C_∞v
408	SBr	Sulfur monobromide radical
409	SBr⁺	Sulfur monobromide cation
410	SeCl	Selenium monochloride	²Π	C_∞v
411	SeBr	Selenium monobromide
412	BrCl	Bromine monochloride	¹Σ	C_∞v
413	F₂	Fluorine diatomic	¹Σ_g	D_∞h
414	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
415	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
416	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
417	ClF⁺	clorine monofluoride cation	²Π	C_∞v
418	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
419	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
420	BrF	Bromine monofluoride	¹Σ	C_∞v
421	Br₂	Bromine diatomic	¹Σ_g	D_∞h
422	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
423	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
424	HCF	Fluoromethylene	¹A^'	C_s
425	HCF	Fluoromethylene	³A^"	C_s
426	HSiF	fluorosilylene
427	HSiCl	Chlorosilylene
428	HSiBr	monobromosilylene
429	HOF	Hypofluorous acid	¹A^'	C_s
430	HOCl	hypochlorous acid	¹A^'	C_s
431	HOCl⁺	hypochlorous acid cation
432	F₂H⁺	Fluorine, protonated	¹A^'	C_s
433	ClFH⁺	Chlorine fluoride, F-protonated
434	FClH⁺	Chlorine fluoride, Cl-protonated
435	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
436	CH₂Br	bromomethyl radical
437	CH₂F	fluoromethyl radical	²A	C_s
438	CH₂F⁺	fluoromethyl cation
439	CH₂Cl⁺	chloromethyl cation
440	CH₂Cl	chloromethyl radical	²A^'	C_s
441	CH₂Cl	chloromethyl radical	²B₁	C_2v
442	NH₂Cl	chloramine	¹A^'	C_s
443	CH₃F⁺	methyl fluoride cation
444	CH₃F	Methyl fluoride	¹A₁	C_3v
445	CH₃Cl	Methyl chloride	¹A₁	C_3v
446	CH₃Cl⁺	Methyl chloride cation
447	SiH₃F	monofluorosilane	¹A₁	C_3v
448	SiH₃Cl	chlorosilane	¹A₁	C₁
449	CH₃Br	methyl bromide	¹A₁	C_3v
450	GeH₃F	monofluorogermane
451	GeH₃Cl	monochlorogermane
452	NH₃Cl⁺	protonated monochloroammonia
453	CH₃ClH⁺	methyl chloride, protonated
454	NH₄Cl	Ammonium chloride
455	LiNe⁺	Lithium Neon cation
456	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
457	Ar₂	Argon diatomic	¹S_g	D_∞h
458	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
459	Li₃	Lithium trimer	²B₂	C_2v
460	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
461	C₃	carbon trimer	¹Σ_g	D_∞h
462	C₃	carbon trimer	¹A₁	C_2v
463	C₃⁺	carbon trimer cation	²B₂	C_2v
464	SiC₂	Silicon dicarbide
465	C₃H₄	cyclopropene	¹A₁	C_2v
466	CH₂CCH₂	allene	¹A₁	D_2d
467	CH₃CCH	propyne	¹A^'	C_3v
468	CH₂CHCH₃	Propene	¹A^'	C_s
469	C₃H₇	n-Propyl radical	²A^"	C₁
470	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
471	C₃H₈	Propane	¹A₁	C_2v
472	Si₃H₈	trisilane
473	LiCN	lithium cyanide	¹Σ	C*V LiCN
474	LiCN	lithium cyanide	¹A^'	C_s
475	NaCN	Sodium Cyanide	¹Σ	C_∞v
476	NaCN	Sodium Cyanide	¹A	C_s
477	CuCN	Copper cyanide	¹Σ	C_∞v
478	CuCN	Copper cyanide	³Π	C_s
479	ZnCN	Zinc monocyanide	²Σ	C_∞v
480	ZnNC	Zinc isocyanide	²Σ	C_∞v
481	AlCN	Aluminum monocyanide
482	AlNC	Aluminum isocyanide
483	CNN	Diazocarbene
484	N₃	azide radical	²Π_g	D_∞h
485	N₃⁺	azide cation	³Σ_g	D_∞h
486	N₃⁺	azide cation	³Σ	C_∞v
487	HN₃	hydrogen azide	¹A^'	C_s
488	HN₃⁺	Hydrazoic acid cation
489	HNCNH	diiminomethane	¹A	C₂
490	HNNNH⁺	1,2-Triazadienium
491	NH₂NN⁺	hydrazoic acid, protonated
492	CH₃CN	Acetonitrile	¹A₁	C_3v
493	HCNCH₂⁺	2H-Azirine cation
494	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
495	NH₂CNH⁺	cyanamide, cn protonated
496	NH₃CN⁺	cyanamide, amine protonated
497	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
498	CH₃CH₂NH₂	Ethylamine
499	Li₂O	dilithium oxide	¹Σ_g	D_∞h
500	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
501	Li₂S	dilithium sulfide	¹A₁	C_2v
502	Na₂O	disodium monoxide	¹Σ_g	Linear
503	Na₂S	Sodium sulfide
504	Na₂S	Sodium sulfide
505	LiO₂	Lithium dioxide
506	NaO₂	Sodium superoxide
507	CCO	Dicarbon monoxide	³Σ	C_∞v
508	CCO	Dicarbon monoxide	¹Π	C_∞v
509	NCO	isocyanato radical	²Π	C_∞v
510	N₂O	Nitrous oxide	¹Σ	C_∞v
511	N₂O^-	Nitrous oxide anion	²A^'	C_s
512	OCS	Carbonyl sulfide	¹Σ	C_∞v
513	CS₂	Carbon disulfide	¹Σ_g	D_∞h
514	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
515	OCSe	Carbonyl selenide	¹Σ	C_∞v
516	SCSe	Carbon sulfide selenide
517	NO₂	Nitrogen dioxide	²A₁	C_2v
518	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
519	NSO	sulfinyl amidogen
520	SNO	Nitrogen oxide sulfide
521	O₃	Ozone	¹A₁	C_s
522	SO₂	Sulfur dioxide	¹A₁	C_2v
523	SSO	Disulfur monoxide	¹A^'	C_s
524	S₃	Sulfur trimer	¹A₁	C_2v
525	S₃	Sulfur trimer
526	S₃⁺	Sulfur trimer cation	²B₂	C_2v
527	SeO₂	Selenium dioxide	¹A₁	C_2v
528	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
529	HCCO	ketenyl radical	²Π	C_∞v
530	HCCO	ketenyl radical	²A^"	C_s
531	HOCO	Hydrocarboxyl radical	¹A^'	cis
532	HOCO	Hydrocarboxyl radical	¹A^'	trans
533	O₃H⁺	protonated ozone	¹A^'	C_s
534	O₃H⁺	protonated ozone
535	C₂H₂O	Oxirene	¹A₁	C_2v
536	CH₂CO	Ketene	¹A₁	C_2v
537	CH₂CS	Thioketene
538	Be(OH)₂	Beryllium hydroxide
539	NH₂NO	Nitrosamide	¹A	C₁
540	H₂COO	Dioxymethyl radical	²A^'	C_s
541	H₂COO⁺	dioxymethyl cation	²A^'	C_s
542	HCOOH	Formic acid	¹A^'	C_s
543	HCOOH	Formic acid
544	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
545	BH₃CO	Borane carbonyl	¹A₁	C_3v
546	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
547	CH₂COH⁺	ketene, protonated
548	CNOH₃	1,2-oxaziridine	¹A	C₁
549	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
550	NHCHSH	Methanimidothioic acid
551	C₂H₄O	Ethylene oxide	¹A₁	C_2v
552	C₂H₄O⁺	ethylene oxide cation
553	CH₃CHO	Acetaldehyde	¹A^'	C_s
554	CH₃CHO⁺	acetaldehyde cation
555	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
556	C₂H₄S	Thiirane	¹A₁	C_2v
557	CH₂CHSH	Ethenethiol
558	NH₂CHOH⁺	Formamide, O-protonated
559	CH₃SSH	Hydrogen methyl disulfide
560	HSCH₂SH	Methanedithiol
561	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
562	CH₃CH₂SH	ethanethiol	¹A^'	C_s
563	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
564	CH₃SCH₃⁺	dimethyl sulfide cation
565	CNF	iso cyanogen fluoride	¹Σ	C_∞v
566	BrCN	Cyanogen bromide	¹Σ	C_∞v
567	FBO	Boron monofluoride monoxide
568	BeBr₂	Beryllium bromide
569	FCO	Carbonyl fluoride	²A^'	C_s
570	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
571	ClCO	carbonyl monochloride	²A^'	C_s
572	BF₂	Boron difluoride radical	²A₁	C_2v
573	FNO	Nitrosyl fluoride	¹A^'	C_s
574	ClNO	Nitrosyl chloride	¹A^'	C_s
575	FNS	Thionitrosyl fluoride	¹A^'	C_s
576	FSN	Thiazyl fluoride	¹A^'	C_s
577	OPCl	Phosphorus oxychloride
578	CF₂	Difluoromethylene	¹A₁	D_∞h
579	CFCl	chlorofluoromethylene	¹A^'	C_s
580	SiF₂	Silicon difluoride	¹A₁	C_2v
581	GeCl₂	Germanium dichloride	¹A₁	C_2v
582	FOO⁺	Fluorine dioxide cation
583	OClO	Chlorine dioxide	²B₁	D_∞h
584	OClO^-	Chlorine dioxide anion	¹A^'	C_s
585	ClSO	Sulfur chloride oxide	²A^"	C_s
586	BrOO	Bromine dioxide
587	OBrO	Bromine dioxide radical	²B₁	C_2v
588	PF₂	Phosphorus difluoride
589	PF₂⁺	Phosphorus difluoride cation
590	FClO	chlorosyl fluoride	¹A^'	C_s
591	ClOF	Chlorine hypofluorite	¹A^'	C_s
592	SF₂	sulfur difluoride	¹A₁	C_2v
593	SeF₂	Selenium difluoride
594	SeCl₂	Selenium Dichloride
595	SBr₂	Sulfur dibromide
596	SeBr₂	Selenium dibromide
597	Br₃^-	tribromide anion
598	SFCl	Sulfur chloride fluoride
599	HCCF	Fluoroacetylene	¹Σ	C_∞v
600	HFCO⁺	formyl fluoride cation	²A^'	C_s
601	CHF₂	difluoromethyl radical	²A	C_s
602	CHF₂⁺	difluoromethyl cation
603	CHFCl	Chlorofluoromethyl radical
604	CHFCl⁺	Chlorofluoromethyl cation
605	CHCl₂⁺	dichloromethyl cation
606	NHF₂	difluoramine
607	NHCl₂	dichloroamine
608	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
609	SiH₂F₂	difluorosilane
610	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
611	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
612	CH₂Br₂	dibromomethane	¹A₁	C_2v
613	CH₃MgBr	Methyl Magnesium Bromide
614	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
615	CH₂FOH	fluoromethanol
616	C₂H₅Br	Ethyl bromide	¹A^'	C_s
617	C₄	Carbon tetramer	³Σ_g	D_∞h
618	C₄	Carbon tetramer
619	C₄H₄	Tetrahedrane
620	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
621	Li₃N	trilithium nitride	¹A^'	D_3h
622	C₂N₂	Cyanogen	¹Σ_g	D_∞h
623	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
624	H₂CNCN	cyanamide, methylene
625	HNCCNH	Ethenediimine
626	C₂H₅CN	ethyl cyanide	¹A^'	C_s
627	C₃O	Tricarbon monoxide	¹Σ	C_∞v
628	ONNO	NO dimer	¹A_g	trans C2H
629	ONNO	NO dimer	¹A₁	cis C2V
630	S₂N₂	Disulfur dinitride	¹A_G	D_2h
631	NO₃^-	nitrate anion	¹A₁^'	D_3h
632	SO₃	Sulfur trioxide	¹A₁^'	D_3h
633	SO₃^--	Sulfate dianion
634	S₄	Sulfur tetramer
635	S₄	Sulfur tetramer
636	S₄	Sulfur tetramer
637	C₃H₂O	Propadienal
638	C₃H₂O	Propadienal
639	C₂H₂O₂	Ethanedial	¹A_g	C_2h
640	CH₃NCO	methylisocyante
641	CH₃NO₂	Methane, nitro-	¹A^'	C_s
642	CH₂CHCHO	Acrolein	¹A^'	C_s
643	CH₃COCH₂	Acetonyl radical	²A^"	C_s
644	Li₂F₂	Lithium fluoride dimer
645	CF₂O	Carbonic difluoride	¹A₁	C_2v
646	CF₂O⁺	Carbonic difluoride cation
647	BF₃⁺	boron trifluoride cation
648	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
649	BCl₃⁺	Boron Trichloride cation
650	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
651	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
652	CF₂Cl	difluorochloromethyl radical
653	CFCl₂	dichlorofluoromethyl radical
654	ClO₂F	Chloryl fluoride	¹A^'	C_s
655	SSCl₂	Thiothionyl chloride
656	NF₃	Nitrogen trifluoride	¹A₁	C_3v
657	HClO₃	Chloric Acid	¹A	C₁
658	CHF₃	Methane, trifluoro-	¹A₁	C_3v
659	SiHF₃	trifluorosilane
660	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
661	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
662	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
663	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
664	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
665	CH₃CHCHF	trans-1-Fluoro-1-propene
666	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
667	B₂O₃	diboron trioxide
668	B₂O₃	diboron trioxide
669	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
670	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
671	CH₂ClCCCl	1,3-dichloropropyne
672	CHCl₂CCH	3,3-dichloropropyne
673	C₃H₂O₃	vinylene carbonate
674	C₅H₆O	2H-Pyran
675	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 anion	ch4-
90	CH₄⁺	Methane cation	ch4+
91	CHD₃	methane-d3	chd3
92	SiH₄⁺	Silane cation	sih4+
93	SnH₄	Stannane	snh4
94	N^-	Nitrogen atom anion	n-
95	N⁺	Nitrogen atom cation	n+
96	P^-	Phosphorus atom anion	p-
97	P⁺	Phosphorus atom cation	p+
98	Sb	Antimony atom	sb
99	NH	Imidogen	nh
100	NH^-	Imidogen anion	nh-
101	NH⁺	imidogen cation	nh+
102	PH^-	phosphorus monohydride anion	ph-
103	PH⁺	phosphorus monohydride cation	ph+
104	AsH⁺	Arsenic monohydride cation	ash+
105	SbH	Antimony monohydride	sbh
106	ND₂	Amidogen-d2	nd2
107	NH₂^-	amino anion	nh2-
108	PH₂	Phosphino radical	ph2
109	PH₂^-	Phosphino anion	ph2-
110	PH₂⁺	Phosphino cation	ph2+
111	AsH₂	Arsenic dihydride	ash2
112	AsH₂⁺	Arsenic dihydride cation	ash2+
113	ND₃	Ammonia-d3	nd3
114	SbH₃	Stibine	sbh3
115	O^-	Oxygen atom anion	o-
116	O⁺	Oxygen atom cation	o+
117	Cr	Chromium atom	cr
118	Te	Tellurium atom	te
119	Te⁺	Tellurium atom cation	te+
120	DO	Hydroxyl-d	od
121	DS	Mercapto-d	ds
122	CrH	Chromium hydride	crh
123	TeH	Telluryl radical	teh
124	D₂O	Deuterium oxide	d2o
125	D₂S	Hydrogen sulfide-d2	d2s
126	H₂S^-	Hydrogen sulfide anion	h2s-
127	H₂Te	Hydrogen Telluride	h2te
128	Mn	Manganese atom	mn
129	I	Iodine atom	iodine
130	I^-	Iodine atom anion	iodine-
131	I⁺	Iodine atom cation	iodine+
132	DF	Hydrofluoric acid-d	df
133	DCl	Hydrochloric acid-d	dcl
134	HI	Hydrogen iodide	hi
135	HI⁺	Hydrogen iodide cation	hi+
136	H₂F⁺	dihydrogen fluoride cation	h2f+
137	H₂I⁺	Iodonium	h2i+
138	Ne^-	Neon atom anion	ne-
139	Ne⁺	Neon atom cation	ne+
140	Ar	Argon atom	ar
141	Ar^-	Argon atom anion	ar-
142	Ar⁺	Argon atom cation	ar+
143	Fe	Iron atom	fe
144	Xe	Xenon atom	xe
145	NeH	neon hydrogen	neh
146	NeH⁺	neon hydrogen cation	neh+
147	XeH⁺	Xenon, protonated	xeh+
148	Co	Cobalt atom	cobalt
149	Ni	Nickel atom	ni
150	Li₂	Lithium diatomic	li2
151	Li₂^-	lithium diatomic anion	li2-
152	NaLi^-	lithium sodium anion	lina-
153	NaLi⁺	lithium sodium cation	lina+
154	LiK	Lithium Potassium	lik
155	NaK	Sodium Potassium	nak
156	NaK⁺	Sodium Potassium diatomic cation	nak+
157	K₂	Potassium diatomic	k2
158	Cu₂	Copper diatomic	cu2
159	LiBe	Lithium Beryllium	libe
160	LiMg	Lithium magnesium	limg
161	NaBe	Sodium Beryllium	nabe
162	NaMg	Sodium Magnesium	namg
163	Be₂	Beryllium diatomic	be2
164	Be₂^-	Beryllium diatomic anion	be2-
165	Be₂⁺	Beryllium diatomic cation	be2+
166	Mg₂	Magnesium diatomic	mg2
167	Mg₂^-	magnesium diatomic anion	mg2-
168	Mg₂⁺	magnesium diatomic cation	mg2+
169	Ca₂	Calcium diatomic	ca2
170	B₂	Boron diatomic	b2
171	B₂^-	Boron diatomic anion	b2-
172	Al₂	Aluminum diatomic	al2
173	Al₂^-	aluminum diatomic anion	al2-
174	Al₂⁺	aluminum diatomic cation	al2+
175	LiBH₄	Lithium borohydride	libh4
176	Al₂H₆	dialane	al2h6
177	LiC	Lithium Carbide	lic
178	CaC	Calcium monocarbide	cac
179	BC	boron monocarbide	bc
180	BC^-	boron monocarbide anion	bc-
181	BC⁺	boron monocarbide cation	bc+
182	C₂^-	carbon diatomic anion	c2-
183	SiC	silicon monocarbide	sic
184	SiC^-	silicon monocarbide anion	sic-
185	SiC⁺	silicon monocarbide cation	sic+
186	Si₂	Silicon diatomic	si2
187	Si₂^-	silcon diatomic anion	si2-
188	Si₂⁺	silcon diatomic cation	si2+
189	Ge₂	Germanium diatomic	ge2
190	C₂H⁺	Ethynyl cation	c2h+
191	ZnCH₂	Zinc methylene	znch2
192	C₂H₂	Acetylene	c2h2
193	CCH₂	vinylidene	vinylidene
194	CuCH₃	monomethyl copper	cuch3
195	ZnCH₃	Zinc monomethyl	znch3
196	C₂H₄	Ethylene	c2h4
197	C₂H₄^-	Ethylene anion	c2h4-
198	CH₃CH	methylmethylene	ch3ch
199	CH₂SiH₂	silaethylene	ch2sih2
200	C₂H₅^-	Ethyl anion	c2h5-
201	C₂H₅⁺	Ethyl cation	c2h5+
202	C₂H₆⁺	ethane cation	c2h6+
203	GeH₃CH₃	methyl germane	geh3ch3
204	C₂H₇⁺	Ethane, protonated	c2h7+
205	LiN⁺	Lithium Nitride cation	lin+
206	BeN	Beryllium mononitride	ben
207	BeN^-	Beryllium mononitride anion	ben-
208	BN^-	boron nitride anion	bn-
209	AlN^-	aluminum mononitride anion	aln-
210	AlN⁺	aluminum mononitride cation	aln+
211	GaN	Gallium mononitride	gan
212	BN⁺	boron nitride cation	bn+
213	AlN	Aluminum nitride	aln
214	CN⁺	Cyano cation	cn+
215	CP	Carbon monophosphide	cp
216	CP^-	carbon monophosphide anion	cp-
217	CP⁺	carbon monophosphide cation	cp+
218	SiN	Silicon nitride	sin
219	SiN^-	silicon mononitride anion	sin-
220	SiN⁺	silicon mononitride cation	sin+
221	SiP^-	Silicon monophosphide anion	sip-
222	SiP⁺	Silicon monophosphide cation	sip+
223	TiN	Titanium mononitride	tin
224	PN^-	phosphorus nitride anion	pn-
225	PN⁺	phosphorus nitride cation	pn+
226	P₂	Phosphorus diatomic	p2
227	P₂^-	phosphorus diatomic anion	p2-
228	P₂⁺	phosphorus diatomic cation	p2+
229	AsN	Arsenic mononitride	asn
230	AsP	Arsenic monophosphide	asp
231	SbN	Antimony nitride	sbn
232	As₂	Arsenic diatomic	as2
233	HNB	hydrogen nitrogen boron	hnb
234	HNC	hydrogen isocyanide	hnc
235	HCN^-	Hydrogen cyanide anion	hcn-
236	HCP	Phosphaethyne	hcp
237	NNH	Dinitrogen monohydride	nnh
238	HPO	Hydrogen phosphorus oxide	hpo
239	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
240	CNH₂	Aminomethylidyne radical	cnh2
241	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
242	H₂CN	Dihydrogen cyanide radical	h2cn
243	H₂CN⁺	hydrocyanonium cation	h2cn+
244	HCNH	methyleneazane	hcnh
245	HCNH⁺	N-protonated HCN	hcnh+
246	CH₂PH	Phosphaethene	ch3p
247	P₂H₄	Diphosphine	p2h4
248	CH₃PH₂	Methyl phosphine	ch3ph2
249	CH₃NH₃⁺	protonated methylamine	ch3nh3+
250	NH₃NH₃	Ammonia Dimer	nh3nh3
251	LiO^-	lithium oxide anion	lio-
252	LiO⁺	lithium oxide cation	lio+
253	NaO^-	sodium oxide anion	nao-
254	NaO⁺	sodium oxide cation	nao+
255	KO	Potassium monoxide	ko
256	KO⁺	Potassium monoxide cation	ko+
257	CuO	Copper Monoxide	cuo
258	BeO	beryllium oxide	beo
259	BeO^-	Beryllium monoxide anion	beo-
260	BeO⁺	Beryllium monoxide cation	beo+
261	BeS	beryllium sulfide	bes
262	MgO	magnesium oxide	mgo
263	MgO^-	magnesium oxide anion	mgo-
264	MgO⁺	magnesium oxide cation	mgo+
265	CaO	Calcium monoxide	cao
266	MgS	magnesium sulfide	mgs
267	MgS^-	magnesium sulfide anion	mgs-
268	MgS⁺	magnesium sulfide cation	mgs+
269	CaS	Calcium sulfide	cas
270	ZnO	zinc monoxide	zno
271	ZnS	Zinc sulfide	zns
272	BeS^-	Beryllium monosulfide anion	bes-
273	BeS⁺	Beryllium monosulfide cation	bes+
274	BO^-	boron monoxide anion	bo-
275	AlO	Aluminum monoxide	alo
276	AlO^-	Aluminum monoxide anion	alo-
277	AlO⁺	aluminum monoxide cation	alo+
278	BS	boron sulfide	bs
279	BS^-	boron monosulfide anion	bs-
280	BS⁺	boron monosulfide cation	bs+
281	AlS	Aluminum sulfide	als
282	AlS^-	aluminum monosulfide anion	als-
283	AlS⁺	aluminum monosulfide cation	als+
284	BO⁺	boron monoxide cation	bo+
285	CS	carbon monosulfide	cs
286	CS^-	carbon monosulfide anion	cs-
287	CS⁺	carbon monosulfide cation	cs+
288	SiO^-	silicon monoxide anion	sio-
289	SiO⁺	silicon monoxide cation	sio+
290	SiS^-	silicon monosulfide anion	sis-
291	SiS⁺	silicon monosulfide cation	sis+
292	CSe^-	Carbon monoselenide anion	cse-
293	CSe⁺	Carbon monoselenide cation	cse+
294	NS^-	nitrogen sulfide anion	ns-
295	NS⁺	nitrogen sulfide cation	ns+
296	PO^-	phosphorus monoxide anion	po-
297	PO⁺	phosphorus monoxide cation	po+
298	PS^-	phosphorus monosulfide anion	ps-
299	PS⁺	phosphorus monosulfide cation	ps+
300	AsO	Arsenic monoxide	aso
301	O₂⁺	diatomic oxygen cation	o2+
302	SO^-	sulfur monoxide anion	so-
303	S₂^-	sulfur diatomic anion	s2-
304	S₂⁺	sulfur diatomic cation	s2+
305	SeO^-	selenium monoxide anion	seo-
306	SeO⁺	selenium monoxide cation	seo+
307	SeS	Selenium monosulfide	ses
308	SeS^-	selenium monosulfide anion	ses-
309	SeS⁺	selenium monosulfide cation	ses+
310	TeO	Tellurium monoxide	teo
311	Se₂^-	selenium diatomic anion	se2-
312	Se₂⁺	selenium diatomic cation	se2+
313	Te₂	Tellurium diatomic	te2
314	NaOH	sodium hydroxide	naoh
315	KOH	Potassium hydroxide	koh
316	MgOH	magnesium hydroxide	mgoh
317	CaOH	Calcium monohydroxide	caoh
318	HCS	Thioformyl radical	hcs
319	HCS^-	Thioformyl anion	hcs-
320	HCS⁺	Thioformyl cation	hcs+
321	HNO^-	Nitrosyl hydride anion	hno-
322	HNS	Sulfur imide	hns
323	HNS^-	Sulfur imide anion	hns-
324	HO₂^-	Hydroperoxy anion	ho2-
325	HS₂	Thiosulfeno radical	hs2
326	H₂CO	Formaldehyde	h2co
327	HOCH	hydroxycarbene	hoch
328	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
329	CH₃O	Methoxy radical	ch3o
330	CH₃S	thiomethoxy	ch3s
331	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
332	NH₃O	Ammonia Oxide	nh3o
333	H₂POH	Phosphinous acid	h2poh
334	H₃PO	Phosphine oxide	h3po
335	NH₂SH	Thiohydroxylamine	nh2sh
336	NH₃S	sulfidoazane	nh3s
337	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
338	CH₃SeH	Methane selenol	ch3seh
339	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
340	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
341	H₂ONH₃	Water Ammonia Dimer	h2onh3
342	LiCl^-	lithium chloride anion	licl-
343	LiCl⁺	lithium chloride cation	licl+
344	NaF^-	sodium fluoride anion	naf-
345	KF	Potassium Fluoride	kf
346	NaCl^-	sodium chloride anion	nacl-
347	KCl	Potassium Chloride	kcl
348	CuF	Copper monofluoride	cuf
349	LiBr^-	lithium bromide anion	libr-
350	LiBr⁺	lithium bromide cation	libr+
351	CuCl	Copper monochloride	cucl
352	NaBr	Sodium Bromide	nabr
353	NaBr^-	sodium bromide anion	nabr-
354	NaBr⁺	sodium bromide cation	nabr+
355	KBr	Potassium Bromide	kbr
356	LiI	Lithium Iodide	lii
357	NaI	Sodium Iodide	nai
358	KI	Potassium Iodide	ki
359	LiF^-	lithium fluoride anion	lif-
360	BeF	Beryllium monofluoride	bef
361	BeF^-	Beryllium monofluoride anion	bef-
362	BeF⁺	Beryllium monofluoride cation	bef+
363	BeCl	beryllium monochloride	becl
364	MgF	Magnesium monofluoride	mgf
365	MgF^-	magnesium fluoride anion	mgf-
366	CaF	Calcium monofluoride	caf
367	MgCl	magnesium monochloride	mgcl
368	MgCl^-	magnesium monochloride anion	mgcl-
369	MgCl⁺	magnesium monochloride cation	mgcl+
370	CaCl	calcium monochloride	cacl
371	TiCl	Titanium Monochloride	ticl
372	ZnF^-	Zinc monofluoride anion	znf-
373	ZnF⁺	Zinc monofluoride cation	znf+
374	ZnCl	Zinc monochloride	zncl
375	CaBr	Calcium monobromide	cabr
376	BeCl^-	beryllium monochloride anion	becl-
377	BeCl⁺	beryllium monochloride cation	becl+
378	BF^-	Boron monofluoride anion	bf-
379	BF⁺	Boron monofluoride cation	bf+
380	AlF^-	Aluminum monofluoride anion	alf-
381	AlF⁺	Aluminum monofluoride cation	alf+
382	BCl	boron monochloride	bcl
383	BCl^-	boron monochloride anion	bcl-
384	BCl⁺	boron monochloride cation	bcl+
385	AlCl	Aluminum monochloride	alcl
386	AlCl^-	aluminum monochloride anion	alcl-
387	AlCl⁺	aluminum monochloride cation	alcl+
388	BBr	Boron monobromide	bbr
389	AlI	Aluminum monoiodide	ali
390	CF^-	carbon monofluoride anion	cf-
391	CF⁺	carbon monofluoride cation	cf+
392	CCl	carbon monochloride	ccl
393	CCl^-	carbon monochloride anion	ccl-
394	CCl⁺	carbon monochloride cation	ccl+
395	SiF^-	silicon monofluoride anion	sif-
396	SiCl^-	silicon monochloride anion	sicl-
397	SiCl⁺	silicon monochloride cation	sicl+
398	SiBr	Silicon monobromide	sibr
399	NF	nitrogen fluoride	nf
400	NF^-	nitrogen monofluorine anion	nf-
401	NF⁺	nitrogen monofluoirde cation	nf+
402	NCl^-	nitrogen monochloride anion	ncl-
403	NCl⁺	nitrogen monochloride cation	ncl+
404	PF	phosphorus monofluoride	pf
405	PF^-	phosphorus monofluoride anion	pf-
406	PF⁺	phosphorus monofluoride cation	pf+
407	PCl	phosphorus chloride	pcl
408	PCl^-	phosphorus monochloride anion	pcl-
409	PCl⁺	phosphorus monochloride cation	pcl+
410	NBr	nitrogen monobromide	nbr
411	SbF	Antimony monofluoride	sbf
412	SbCl	Antimony monochloride	sbcl
413	FO^-	flourine oxide anion	fo-
414	FO⁺	fluorine monoxide cation	fo+
415	ClO^-	chlorine monoxide anion	clo-
416	SF^-	sulfur monofluoride anion	sf-
417	SCl	sulfur monochloride	scl
418	SCl^-	sulfur monochloride anion	scl-
419	BrO^-	Bromine monoxide anion	bro-
420	IO	Iodine monoxide	io
421	ClF^-	clorine monofluoride anion	clf-
422	Cl₂^-	chlorine diatomic anion	cl2-
423	BrF^-	bromine fluoride anion	brf-
424	BrF⁺	bromine fluoride cation	brf+
425	BrCl^-	bromine chloride anion	brcl-
426	BrCl⁺	bromine chloride cation	brcl+
427	IF	Iodine monofluoride	if
428	ICl	Iodine monochloride	icl
429	IBr	Iodine monobromide	ibr
430	I₂	Iodine diatomic	i2
431	I₂⁺	Iodine diatomic cation	i2+
432	HCCl	Chloromethylene	hccl
433	CHBr	bromomethylene	chbr
434	DOCl	Hypochlorous acid-d	docl
435	HOBr	Hypobromous acid	hobr
436	HOBr⁺	Hypobromous acid cation	hobr+
437	HOI	Hypoiodous acid	hoi
438	FHF	Hydrogen difluoride	fhf
439	FHF^-	Hydrogen difluoride anion	fhf-
440	NH₂F	monofluoroamine	nh2f
441	H₂F₂	Hydrogen fluoride dimer	h2f2
442	CD₃F	methylfluoride-d3	cd3f
443	CD₃Cl	methyl chloride d3	cd3cl
444	SiH₃Br	bromosilane	sih3br
445	CH₃I	methyl iodide	ch3i
446	SiH₃I	Silyl Iodide	sih3i
447	Ne₂	Neon diatomic	ne2
448	C₃H₃	cyclopropenyl radical	cpr
449	C₃H₃	Propargyl radical	propargyl
450	C₃H₃^-	Propargyl anion	c3h3-
451	C₃H₃⁺	cyclopropenyl cation	cpr+
452	C₃H₃⁺	Propargyl cation	c3h3+
453	C₃H₅	Allyl radical	allyl
454	C₃H₅⁺	Allyl cation	allyl+
455	CH₃CHCH	1-propenyl radical	ch3chch
456	Zn(CH₃)₂	dimethyl zinc	dmz
457	C₃H₆	Cyclopropane	c3h6
458	C₃H₇⁺	cyclopropane, protonated	c3h7+
459	CH₃CHCH₃	Isopropyl radical	isopropyl
460	SiH₂(CH₃)₂	dimethylsilane	dms
461	KCN	Potassium cyanide	kcn
462	CN₂	3H-Diazirin-3-ylidene	cn2
463	NCN	Cyanoimidogen	ncn
464	N₃^-	azide anion	n3-
465	HCCN	cyanomethylene	hccn
466	HCNN	diazomethyl radical	hcnn
467	CH₂N₂	diazirine	ch2n2
468	CH₂NN	diazomethane	ch2nn
469	NH₂CN	cyanamide	cyanamide
470	CH₃CN^-	acetonitrile anion	ch3cn-
471	CH₃CN⁺	Acetonitrile cation	ch3cn+
472	CH₃NC	methyl isocyanide	ch3nc
473	CHNCH₂	2H-Azirine	c157164
474	CHNHCH	1H-Azirine	chnhch
475	H₂CCNH	Ethenimine	ch2cnh
476	H₂CNCH	methyleneaminomethylene	ch2nch
477	HCCNH₂	Ethynamine	hccnh2
478	NCNH₃⁺	Cyanamide, protonated	ncnh3+
479	CH₂CHNH	vinylazine	ch2chnh
480	CH₃CHN	methylmethaniminyl radical	ch3chn
481	NHCHNH₂	aminomethanimine	cn2h4
482	C₂H₅N	Aziridine	c2h5n
483	CH₂CHNH₂	aminoethene	aminoethene
484	CH₂NCH₃	N-methylmethanimine	nmm
485	CH₃CHNH	ethanimine	ethanimine
486	NH₂BHNH₂	diaminoborane	nh2bhnh2
487	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
488	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
489	CH₃NHCH₃	Dimethylamine	ch3nhch3
490	CH₃PHCH₃	dimethylphosphine	ch3phch3
491	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
492	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
493	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
494	Li₂O⁺	dilithium oxide cation	li2o+
495	CNO^-	fulminate	cno-
496	NCO^-	cyanate	nco-
497	SCN	thiocyanato radical	scn
498	SCN^-	thiocyanide anion	scn-
499	BO₂	Boron dioxide	bo2
500	BO₂^-	Boron dioxide anion	bo2-
501	BO₂⁺	Boron dioxide cation	bo2+
502	N₂O⁺	Nitrous oxide cation	n2o+
503	NNS	Nitrogen sulfide	nns
504	PPO	Phosphorus oxide phosphide	ppo
505	CO₂	Carbon dioxide	co2
506	CO₂^-	Carbon dioxide anion	co2-
507	CO₂⁺	Carbon dioxide cation	co2+
508	OCS⁺	Carbonyl sulfide cation	cos+
509	SiO₂	silicon dioxide	sio2
510	CS₂^-	Carbon disulfide anion	cs2-
511	CS₂⁺	Carbon disulfide cation	cs2+
512	TiO₂	Titanium dioxide	tio2
513	SiS₂	Silicon disulfide	sis2
514	GeS₂	Germanium disulfide	ges2
515	CSe₂	Carbon diselenide	cse2
516	SCTe	Carbon sulfide Telluride	scte
517	NO₂^-	Nitrogen dioxide anion	no2-
518	PO₂	Phosphorus dioxide	po2
519	PO₂^-	Phosphorus dioxide anion	po2-
520	PO₂⁺	Phosphorus dioxide cation	po2+
521	AsO₂	Aresenic dioxide	aso2
522	O₃^-	Ozone anion	o3-
523	O₃⁺	Ozone cation	o3+
524	SO₂^-	Sulfur dioxide anion	so2-
525	SO₂⁺	Sulfur dioxide cation	so2+
526	S₃^-	Sulfur trimer anion	s3-
527	TeO₂	Tellurium Dioxide	teo2
528	CS₂H⁺	Carbon disulfide, protonated	cs2h+
529	HCNO	fulminic acid	hcno
530	HNCO	Isocyanic acid	hnco
531	HOCN	cyanic acid	hocn
532	HNCS	Isothiocyanic acid	hncs
533	HSCN	thiocyanic acid	hscn
534	HCO₂^-	formate anion	hco2-
535	HNNO	nitrosoazane	hnno
536	HNNO⁺	Nitrous oxide, N-protonated	hnno+
537	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
538	HCOO	formate neutral radical	hcoo
539	HOCO⁺	Hydrocarboxyl cation	hoco+
540	HNO₂	Nitrous acid	hno2
541	HNO₂⁺	nitrous acid cation	hno2+
542	SO₂H⁺	protonated sulfur dioxide	so2h+
543	CH₂CO⁺	Ketene cation	ch2co+
544	HCCOH	ethynol	hccoh
545	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
546	CH₂O₂	Dioxirane	diox
547	H₂O₃	Hydrogen trioxide	h2o3
548	HSSSH	trisulfane	hsssh
549	NaOCH₃	Sodium methoxide	naoch3
550	CH₂CHO	Vinyloxy radical	ch2cho
551	CH₃CO	Acetyl radical	ch3co
552	CH₃CO^-	Acetyl anion	ch3co-
553	CH₃CO⁺	acetyl cation	ch3co+
554	CH₂NOH	formaldoxime	ch2noh
555	CH₃NO	nitrosomethane	ch3no
556	CHONH₂	formamide	formamide
557	CHSNH₂	thioformamide	chsnh2
558	CH₂OOH	CH2OOH radical	ch2ooh
559	CH₃OO	methylperoxy radical	ch3oo
560	CH₃OO^-	methylperoxy anion	ch3oo-
561	CH₃OO⁺	methylperoxy cation	ch3oo+
562	CH₂CHOH	ethenol	ch2choh
563	CH₃CHS	Thioacetaldehyde	ch3chs
564	H₂CONH₂⁺	protonated formamide	h2conh2+
565	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
566	CH₂(OH)₂	methanediol	ch2o2h2
567	CH₃OOH	Methyl peroxide	ch3ooh
568	H₂OH₂CO	water formaldehyde dimer	h2oh2co
569	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
570	CH₃CH₂O	Ethoxy radical	ethoxy
571	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
572	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
573	CH₃OCH₂	methoxymethyl radical	ch3och2
574	NH₂CH₂OH	aminomethanol	nh2ch2oh
575	CH₃CH₂OH	Ethanol	etoh
576	CH₃OCH₃	Dimethyl ether	meome
577	CH₃SeCH₃	dimethylselenide	dmse
578	CH₃OHH₂O	methanol water dimer	ch3ohh2o
579	H₂OCH₃OH	water methanol dimer	h2och3oh
580	CuF₂	Copper difluoride	cuf2
581	ZnF₂	Zinc difluoride	znf2
582	FCN	Cyanogen fluoride	fcn
583	ClCN	chlorocyanogen	clcn
584	ICN	Cyanogen iodide	icn
585	BeF₂	Beryllium fluoride	bef2
586	MgF₂	Magnesium fluoride	mgf2
587	BeCl₂	Beryllium chloride	becl2
588	MgCl₂	Magnesium dichloride	mgcl2
589	CaCl₂	Calcium Chloride	cacl2
590	ZnCl₂	Zinc dichloride	zncl2
591	CaBr₂	Calcium dibromide	cabr2
592	CaF₂	Calcium difluoride	caf2
593	BrNO	Nitrosyl bromide	brno
594	INO	Nitrosyl iodide	ino
595	CF₂^-	Difluoromethylene anion	cf2-
596	CF₂⁺	Difluoromethylene cation	cf2+
597	SiF₂⁺	Silicon difluoride cation	sif2+
598	CCl₂	dichloromethylene	ccl2
599	CCl₂^-	dichloromethylene anion	ccl2-
600	CCl₂⁺	dichloromethylene cation	ccl2+
601	SiCl₂	Dichlorosilylene	sicl2
602	GeF₂	Germanium difluoride	gef2
603	CBr₂	dibromomethylene	cbr2
604	FOO	Dioxygen monofluoride radical	foo
605	ClOO	chloroperoxy radical	cloo
606	ClOO⁺	chloroperoxy cation	cloo+
607	OClO⁺	Chlorine dioxide cation	oclo+
608	ClS₂	Sulfur chloride	cls2
609	NF₂	Difluoroamino radical	nf2
610	NF₂⁺	Difluoroamino cation	nf2+
611	F₂O	Difluorine monoxide	f2o
612	SF₂^-	sulfur difluoride anion	sf2-
613	SF₂⁺	sulfur difluoride cation	sf2+
614	Cl₂O	Dichlorine monoxide	cl2o
615	SCl₂	Sulfur dichloride	scl2
616	BrOCl	Bromine hypochlorite	brocl
617	BrOBr	Bromine oxide	brobr
618	F₃^-	trifluoride anion	f3-
619	Cl₃^-	trichloride anion	cl3-
620	I₃^-	triiodide	i3-
621	HCCF⁺	fluoroacetylene cation	hccf+
622	HCCCl	Chloroacetylene	hcccl
623	HCCBr	bromoacetylene	hccbr
624	HFCO	formyl fluoride	hfco
625	COHCl	Formyl chloride	cohcl
626	COHBr	Formyl bromide	cohbr
627	BHF₂	Difluoroborane	bhf2
628	BHCl₂	Borane, dichloro-	bhcl2
629	CHCl₂	dichloromethyl radical	chcl2
630	CHBr₂	dibromomethyl radical	chbr2
631	HOClO	Chlorous acid	hoclo
632	CH₂FCl	fluorochloromethane	ch2fcl
633	CH₂BrF	Methane, bromofluoro-	ch2fbr
634	CH₂FI	fluoroiodomethane	ch2fi
635	CH₂ClI	chloroiodomethane	ch2cli
636	CH₂BrI	bromoiodomethane	ch2bri
637	CH₂I₂	Diiodomethane	ch2i2
638	SiH₂Cl₂	dichlorosilane	sih2cl2
639	CH₂CHF⁺	fluoroethene cation	ch2chf+
640	C₂H₃Cl	Ethene, chloro-	ch2chcl
641	C₂H₃Br	vinyl bromide	c2h3br
642	C₂H₃I	Vinyl iodide	c2h3i
643	CH₃OCl	methyl hypochlorite	ch3ocl
644	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
645	CHClCH₃	1-chloroethyl radical	chclch3
646	C₂H₅F	fluoroethane	c2h5f
647	CH₃CH₂Cl	Ethyl chloride	c2h5cl
648	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
649	C₂H₅I	Ethyl iodide	c2h5i
650	KrF₂	Krypton difluoride	krf2
651	XeF₂	Xenon difluoride	xef2
652	B₄H₁₀	Tetraborane(10)	b4h10
653	C₄⁺	Carbon tetramer cation	c4+
654	C₄H₂	Diacetylene	c4h2
655	C₄H₂⁺	diacetlyene cation	c4h2+
656	C₂H₃CCH	1-Buten-3-yne	c2h3cch
657	C₄H₄	cyclobutadiene	cbd
658	H₂CCCCH₂	Butatriene	h2cccch2
659	C₄H₆	1-Methylcyclopropene	c3100047
660	C₄H₆	Cyclobutene	c822355
661	C₄H₆	Methylenecyclopropane	c6142730
662	CH₂CCHCH₃	1,2-Butadiene	butad12
663	CH₂CHCHCH₂	1,3-Butadiene	c106990
664	CH₃CCCH₃	2-Butyne	c503173
665	CHCCH₂CH₃	1-Butyne	c107006
666	CH₃CHCHCH₂	methylallyl radical	c4h7
667	C₄H₈	methylcyclopropane	mcp
668	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
669	CH₂CHCH₂CH₃	1-Butene	bute1
670	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
671	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
672	B(CH₃)₃	trimethylborane	bme3
673	Al(CH₃)₃	trimethyl aluminum	tma
674	C(CH₃)₃	Tert-butyl radical	tbutyl
675	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
676	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
677	CH₃CH(CH₃)CH₃	Isobutane	isobutane
678	SiH(CH₃)₃	trimethylsilane	trimsi
679	C₂N₂⁺	Cyanogen cation	c2n2+
680	P₄	Phosphorus tetramer	p4
681	As₄	Arsenic tetramer	as4
682	HCCCN	Cyanoacetylene	hcccn
683	C₃H₃N	acrylonitrile	ch2chcn
684	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
685	CH₃N₃	methyl azide	ch3n3
686	NH₂CCNH₂	Diaminoacetylene	daa
687	NH₂CH₂CN	Aminoacetonitrile	aan
688	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
689	CH₅N₃	Guanidine	guanidine
690	C₄H₆	Bicyclo[1.1.0]butane	c157335
691	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
692	H₂NCHCHNH₂	diaminoethylene	dae
693	CH₆N₃⁺	guanidinium	ch6n3+
694	C₃H₇N	Cyclopropylamine	cpram
695	CH₇N₃	triaminomethane	tam
696	C₃H₇N	Azetidine	azet
697	C₄H₈	cyclobutane	cbutane
698	C₂H₈N₂	Ethylenediamine	ethdiam
699	CH₃NHNHCH₃	dimethyl hydrazine	dmh
700	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
701	N(CH₃)₃	Trimethylamine	trimeam
702	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
703	P(CH₃)₃	trimethylphosphine	tmp
704	N(SiH₃)₃	trisilylamine	tsa
705	As(CH₃)₃	trimethyl arsine	tmas
706	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
707	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
708	Li₂O₂	dilithium dioxide	li2o2
709	Na₂O₂	disodium dioxide	na2o2
710	K₂O₂	dipotassium dioxide	k2o2
711	B₂O₂	Diboron dioxide	b2o2
712	CO₃	Carbon trioxide	co3
713	CO₃^--	carbonate	co3--
714	CS₃^--	Carbonotrithioate	cs3--
715	NO₃	Nitrogen trioxide	no3
716	NO₃⁺	nitrogen trioxide cation	no3+
717	SO₃^-	Sulfur trioxide anion	so3-
718	SO₃⁺	Sulfur trioxide cation	so3+
719	SeO₃	selenium trioxide	seo3
720	TeO₃	Tellurium trioxide	teo3
721	HCO₃^-	bicarbonate anion	hco3-
722	HNO₃	Nitric acid	hno3
723	HSO₃	Hydroxysulfonyl radical	hso3
724	NH₂NO₂	nitramide	nh2no2
725	C₂H₂CO	cyclopropenone	c2h2co
726	HCCCHO	2-propynal	hcccho
727	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
728	H₂CO₃	Carbonic acid	h2co3
729	H₂CS₃	thiocarbonic acid	h2cs3
730	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
731	H₂SO₃	Sulfurous acid	h2so3
732	C₂H₃NO	Nitrosoethylene	c2h3no
733	HOCH₂CN	cyanomethanol	hoch2cn
734	CH₃COO^-	acetate anion	ch3coo-
735	CH₃NO₂	Methane, nitro-	ch3no2
736	CH₃ONO	Methyl nitrite	ch3ono
737	NH₂COOH	Carbamic acid	nh2cooh
738	H₃BO₃	Boric acid	h3bo3
739	H₃AlO₃	Aluminum hydroxide	h3alo3
740	H₃CO₃⁺	carbonic acid, protonated	h3co3+
741	C₃H₄O	2-Propyn-1-ol	c107197
742	C₃H₄O	allenol	c9000071
743	C₃H₄O	Cyclopropanone	cpone
744	C₃H₄O	Methylketene	c6004440
745	NH₂CONH₂	Urea	urea
746	NH₂CONH₂⁺	Urea cation	urea+
747	NH₂CSNH₂	Thiourea	thiourea
748	C₂H₄O₂	1,3-dioxetane	c2h4o2
749	CH₃COOH	Acetic acid	ch3cooh
750	CH₃OCHO	methyl formate	ch3ocho
751	CHOCH₂OH	hydroxy acetaldehyde	haa
752	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
753	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
754	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
755	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
756	HCOOHH₂O	Formic acid water dimer	hcoohh2o
757	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
758	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
759	CH₃C(OH)=NH	Ethaninidic acid	eia
760	CH₃CHNOH	Acetaldoxime	acetaldoxime
761	CH₃CONH₂	Acetamide	acetamide
762	HCONHCH₃	N-methylformamide	nmfa
763	CH₃CSNH₂	Ethanethioamide	ch3csnh2
764	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
765	H₂NCOHNH₂⁺	urea, protonated	ureah+
766	C₂H₅OO	ethylperoxy radical	c2h5oo
767	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
768	C₃H₅OH	Cyclopropanol	cproh
769	C₃H₆O	2-Propen-1-ol	c107186
770	C₃H₆O	Acetone enol	enol
771	C₃H₆O	Oxetane	oxetane
772	C₃H₆O	Propylene oxide	prox
773	CH₃CH₂CHO	Propanal	propanal
774	CH₃COCH₃	Acetone	acetone
775	CH₃COCH₃^-	acetone anion	ch3coch3-
776	C₃H₆S	Thietane	thietane
777	C₃H₆S	Thiirane, methyl-	methiirane
778	CH₃CSCH₃	Thioacetone	ch3csch3
779	C₂H₆O₂	1,2-Ethanediol	ethdiol
780	CH₃OOCH₃	dimethylperoxide	dmp
781	CH₃SOCH₃	Dimethyl sulfoxide	dmso
782	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
783	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
784	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
785	HOCH₂CH₂NH₂	monoethanolamine	mea
786	C₃H₇OH	1-Propanol	proh
787	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
788	CH₃OC₂H₅	Ethane, methoxy-	etome
789	C₃H₇SH	1-Propanethiol	prsh
790	CH₃CHSHCH₃	2-Propanethiol	isoprsh
791	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
792	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
793	Na₂F₂	Sodium Fluoride Dimer	na2f2
794	Na₂Cl₂	Disodium dichloride	na2cl2
795	C₂F₂	difluoroacetylene	c2f2
796	C₂Cl₂	dichloroacetylene	c2cl2
797	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
798	FNO₂	Nitryl fluoride	fno2
799	FONO	Nitrosyl hypofluorite	fono
800	ClNO₂	Nitryl chloride	clno2
801	ClONO	chlorine nitrite	clono
802	BrONO	Bromine nitrite	brono
803	N₂F₂	(Z)-Difluorodiazene	n2f2_z
804	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
805	COFCl	Carbonic chloride fluoride	cofcl
806	CCl₂O	Phosgene	cl2co
807	Cl₂CS	Thiophosgene	cl2cs
808	COBr₂	Carbonic dibromide	cobr2
809	BF₃	Borane, trifluoro-	bf3
810	BF₃^-	Borane, trifluoro- anion	bf3-
811	AlF₃	Aluminum trifluoride	alf3
812	BClF₂	Chlorodifluoroborane	bclf2
813	AlF₂Cl	Aluminum chloride difluoride	alclf2
814	ScF₃	Scandium trifluoride	ScF3
815	AlFCl₂	Aluminum dichloride fluoride	alcl2f
816	AlCl₃	Aluminum trichloride	alcl3
817	GaCl₃	Gallium trichloride	gacl3
818	BBr₃	Boron tribromide	bbr3
819	AlBr₃	Aluminum Bromide	albr3
820	ClO₃	Chlorine trioxide	clo3
821	ClO₃^-	chlorate anion	clo3-
822	BrO₃^-	Bromate anion	bro3-
823	CF₃	Trifluoromethyl radical	cf3
824	CF₃⁺	Trifluoromethyl cation	cf3+
825	SiF₃	Silicon trifluoride radical	sif3
826	SiF₃⁺	Silicon trifluoride cation	sif3+
827	CCl₃	Trichloromethyl radical	ccl3
828	CCl₃^-	Trichloromethyl anion	ccl3-
829	CCl₃⁺	Trichloromethyl cation	ccl3+
830	SiCl₃	trichlorosilyl radical	sicl3
831	SiCl₃⁺	trichlorosilyl cation	sicl3+
832	CBr₃	tribromomethyl radical	cbr3
833	FOOF	Perfluoroperoxide	foof
834	F₂SO	Thionyl Fluoride	f2so
835	ClOOCl	Dichlorine dioxide	cloocl
836	FSSF	Difluorodisulfane	fssf
837	S₂F₂	Thio-thionyl fluoride	s2f2
838	SOCl₂	thionyl chloride	socl2
839	SeOCl₂	selenium oxychloride	seocl2
840	NF₃^-	Nitrogen trifluoride anion	nf3-
841	NF₃⁺	Nitrogen trifluoride cation	nf3+
842	PF₃	Phosphorus trifluoride	pf3
843	NCl₃	nitrogen trichloride	ncl3
844	AsF₃	Arsenic trifluoride	asf3
845	PCl₃	Phosphorus trichloride	pcl3
846	SbF₃	Antimony Trifluoride	sbf3
847	AsCl₃	Arsenous trichloride	ascl3
848	SbCl₃	Antimony Trichloride	sbcl3
849	NBr₃	Nitrogen Tribromide	nbr3
850	PBr₃	Phosphorus tribromide	pbr3
851	AsBr₃	Arsenic tribromide	asbr3
852	NI₃	Nitrogen triiodide	ni3
853	PI₃	Phosphorus triiodide	pi3
854	ClSSCl	Disulfur dichloride	s2cl2
855	SF₃	Sulfur trifluoride	sf3
856	ClF₃	Chlorine trifluoride	clf3
857	BrF₃	Bromine trifluoride	brf3
858	IF₃	iodone trifluoride	if3
859	CHF₂Cl	difluorochloromethane	chf2cl
860	CHFCl₂	fluorodichloromethane	chfcl2
861	CDCl₃	trichloromethane-d	cdcl3
862	CHCl₃	Chloroform	chcl3
863	SiHCl₃	Trichlorosilane	sihcl3
864	CHFClBr	fluorochlorobromomethane	chfclbr
865	CHBrCl₂	Methane, bromodichloro-	chbrcl2
866	CHF₂I	difluoroiodomethane	chf2i
867	CHBr₂F	dibromofluoromethane	chbr2f
868	CHFClI	fluorochloroiodomethane	chfcli
869	CHCl₂I	dichloroiodomethane	chcl2i
870	CHClBr₂	Methane, dibromochloro-	chclbr2
871	CHBr₃	bromoform	chbr3
872	CHI₃	Iodoform	chi3
873	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
874	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
875	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
876	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
877	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
878	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
879	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
880	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
881	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
882	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
883	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
884	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
885	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
886	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
887	CH₃COF	Acetyl fluoride	ch3cof
888	CH₂ClCHO	chloroacetaldehyde	ch2clcho
889	CH₃COCl	Acetyl Chloride	ch3cocl
890	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
891	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
892	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
893	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
894	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
895	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
896	CH₂CFCH₃	2-fluoropropene	2fpro
897	CH₂CHCH₂F	Allyl Fluoride	allylf
898	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
899	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
900	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
901	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
902	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
903	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
904	CH₂FCH₂CH₃	1-Fluoropropane	prf1
905	CH₃CHFCH₃	2-Fluoropropane	prf2
906	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
907	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
908	CH₃CH₂CH₂Br	n-propyl bromide	prbr
909	CH₃CHBrCH₃	i-propyl bromide	iprbr
910	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
911	B₅H₉	pentaborane9	b5h9
912	C₅H₄	pentatetraene	ptrene
913	C₅H₅	cyclopentadienyl radical	c5h5
914	C₅H₅^-	cylopentadienyl anion	c5h5-
915	C₅H₆	1,3-Cyclopentadiene	c542927
916	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
917	C₅H₆	3-Penten-1-yne, (E)-	c2004695
918	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
919	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
920	C₅H₆	Cyclopropylacetylene	c6746947
921	C₅H₆	Propellane	propellane
922	C₅H₇	1,3-pentadienyl radical	pdyl
923	C₅H₇	cyclopentenyl radical	cpyl
924	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
925	C₅H₈	1,2-Pentadiene	c591957
926	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
927	C₅H₈	1,3-Pentadiene, (E)-	c2004708
928	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
929	C₅H₈	1,4-Pentadiene	c591935
930	C₅H₈	1-pentyne	a1pentyne
931	C₅H₈	2,3-Pentadiene	c591968
932	C₅H₈	Bicyclo[1.1.1]pentane	bcp
933	C₅H₈	Cyclobutane, methylene-	c1120565
934	C₅H₈	Cyclopentene	c142290
935	C₅H₈	Ethenylcyclopropane	c693867
936	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
937	C₅H₁₀	1-Butene, 2-methyl-	c563462
938	C₅H₁₀	2-Butene, 2-methyl-	c513359
939	C₅H₁₀	2-Pentene, (E)-	c646048
940	C₅H₁₀	2-Pentene, (Z)-	c627203
941	C₅H₁₀	Cyclopentane	c287923
942	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
943	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
944	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
945	C₅H₁₂	Butane, 2-methyl-	buta2
946	C₅H₁₂	Pentane	pentane
947	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
948	Si(CH₃)₄	tetramethylsilane	tms
949	N₂O₃	Dinitrogen trioxide	n2o3
950	C₃H₂N₂	Malononitrile	c3h2n2
951	CH₂N₄	1H-Tetrazole	1htz
952	C₃H₃N₂	imidazolyl radical	im
953	C₃H₃N₂^-	imidizolyl anion	im-
954	C₂H₃N₃	1H-1,2,4-Triazole	c288880
955	C₄H₄N	pyrrolide radical	c4h4n
956	C₄H₄N^-	pyrrolide anion	c4h4n-
957	C₃H₄N₂	1H-Imidazole	1himidaz
958	C₃H₄N₂	1H-Pyrazole	1hpyraz
959	C₃H₄N₂	2H-Imidazole	imid2h
960	C₃H₄N₂	4H-Imidazole	imid4h
961	C₄H₅N	(E)-2-Butenenitrile	c627269
962	C₄H₅N	(Z)-2-Butenenitrile	c1190767
963	C₄H₅N	2H-pyrrole	pyrrole2
964	C₄H₅N	3H-pyrrole	pyrrole3
965	C₄H₅N	Cyclopropanecarbonitrile	c5500210
966	C₄H₅N	Pyrrole	pyrrole
967	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
968	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
969	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
970	C₄H₆N⁺	pyrrole, protonated	ppyr
971	C₃H₆N₂	3-Aminopropionitrile	c151188
972	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
973	CH₃CH₂CH₂CN	Butanenitrile	c109740
974	C₅H₈	Bicyclo[2.1.0]pentane	c185944
975	C₅H₈	Spiropentane	c157404
976	C₄H₉N	Cyclobutylamine	cbam
977	C₄H₉N	Pyrrolidine	pyrrolidine
978	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
979	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
980	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
981	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
982	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
983	NH(C₂H₅)₂	diethylamine	dea
984	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
985	C₃O₂⁺	Carbon suboxide cation	c3o2+
986	MgCO₃	Magnesium Carbonate	mgco3
987	BeCO₃	Beryllium Carbonate	beco3
988	CaCO₃	Calcium Carbonate	caco3
989	ONONO	Nitrosyl nitrite	onono
990	PO₄^---	phosphate	po4---
991	SO₄^--	sulfate	so4--
992	HOONO₂	peroxy nitric acid	hoono2
993	HSO₄^-	bisulfate anion	hso4-
994	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
995	C₃H₂O₂	Propiolic acid	c3h2o2
996	CHOCOOH	oxo acetic acid	oaa
997	CHOOCHO	diformyl ether	choocho
998	H₂SO₄	Sulfuric acid	h2so4
999	H₂SeO₄	Selenic acid	h2seo4
1000	C₃H₃NO	Isoxazole	isox
1001	C₃H₃NO	Oxazole	oxazole
1002	C₃H₃NS	Thiazole	thiazole
1003	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1004	CH₃NO₃	Methyl nitrate	ch3no3
1005	H₃PO₄	Phosphoric Acid	h3po4
1006	C₄H₄O	Furan	furan
1007	C₄H₄O⁺	Furan cation	furan+
1008	CH₃COCCH	3-butyn-2-one	c1423605
1009	C₄H₄S	Thiophene	furans
1010	C₄H₄Se	selenophene	c4h4se
1011	C₃H₄O₂	β–Propiolactone	beta
1012	C₃H₄O₂	2-Propenoic acid	propenoic2
1013	C₃H₄O₂	Methyl glyoxal	megly
1014	C₃H₄O₂	propanedial	propanedial
1015	C₃H₄O₂	propenalol	propenalol
1016	HOCHCCHOH	allenediol	aldiol
1017	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1018	C₂H₄O₃	trioxolane124	triox
1019	HOCH₂COOH	Hydroxyacetic acid	hac
1020	CH₂CHCONH₂	Acrylamide	c79061
1021	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1022	CH₅N₃S	Hydrazinecarbothioamide	c79196
1023	H₂NCH₂COOH	Glycine	glycine
1024	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1025	C₄H₆O	cis-2-butenal	butenal2c
1026	C₄H₆O	Cyclobutanone	cbutone
1027	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1028	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1029	CH₂CHOCHCH₂	Vinyl ether	vinylether
1030	CHOCHCHCH₃	2-Butenal	butenal2
1031	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1032	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1033	CH₂CHSCHCH₂	Divinyl sulfide	divis
1034	C₂H₆N₂O	Urea, methyl-	c598505
1035	C₃H₆O₂	1,3-Dioxolane	dioxolane
1036	CH₃CH₂COOH	Propanoic Acid	propanoic
1037	CH₃COOCH₃	methyl acetate	aame
1038	HCOOC₂H₅	Ethyl formate	faee
1039	C₂H₆O₂S	Dimethyl sulfone	c67710
1040	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1041	C₃H₇NO	dimethylformamide	dmf
1042	C₃H₇NO	Propanamide	propanam
1043	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1044	C₄H₈O	Cyclobutanol	c2919235
1045	C₄H₈O	Furan, tetrahydro-	thf
1046	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1047	CH₃COCH₂CH₃	2-Butanone	buta2one
1048	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1049	CHOCH₂CH₂CH₃	Butanal	butanal
1050	C₄H₈S	Thiophene, tetrahydro-	tht
1051	C₃H₈O₂	1,3-Propanediol	c504632
1052	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1053	C₃H₈O₂	Methane, dimethoxy-	c109875
1054	C₃H₈O₂	Propylene glycol	c57556
1055	C₃H₈S₂	1,3-Propanedithiol	c109808
1056	C₄H₁₀O	1-Butanol	butanol1
1057	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1058	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1059	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1060	C₄H₁₀O	Ethoxy ethane	etoet
1061	C₄H₁₀O	Methyl propyl ether	meopr
1062	C₄H₁₀O	Propane, 2-methoxy-	c598538
1063	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1064	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1065	C₂H₅SC₂H₅	Diethyl sulfide	etset
1066	C₄H₉SH	1-Butanethiol	bush
1067	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1068	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1069	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1070	FNO₃	Fluorine nitrate	fno3
1071	ClONO₂	Chlorine nitrate	clono2
1072	BrONO₂	Bromine nitrate	brono2
1073	TiCl₄	Titanium tetrachloride	ticl4
1074	ClO₄^-	perchlorate anion	clo4-
1075	BF₄^-	tetrafluoroboron anion	bf4-
1076	ClFO₃	Perchloryl fluoride	clfo3
1077	SO₂F₂	Sulfuryl fluoride	so2f2
1078	SO₂Cl₂	Sulfuryl chloride	so2cl2
1079	F₃NO	Nitrogen trifluoride oxide	f3no
1080	F₃PO	Phosphoryl fluoride	pf3o
1081	Cl₃PO	Phosphoryl chloride	pcl3o
1082	CF₄	Carbon tetrafluoride	cf4
1083	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1084	SiF₄	Silicon tetrafluoride	sif4
1085	TiF₄	Titanium tetrafluoride	tif4
1086	CFCl₃	Trichloromonofluoromethane	cfcl3
1087	CF₃Br	Bromotrifluoromethane	cf3br
1088	GeF₄	Germanium tetrafluoride	gef4
1089	CCl₄	Carbon tetrachloride	ccl4
1090	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1091	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1092	SiCl₄	Silane, tetrachloro-	sicl4
1093	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1094	CF₃I	trifluoroiodomethane	cf3i
1095	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1096	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1097	GeCl₄	Germanium Tetrachloride	gecl4
1098	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1099	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1100	CCl₃I	trichloroiodomethane	ccl3i
1101	CFBr₃	fluorotribromomethane	cfbr3
1102	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1103	CBr₃Cl	tribromochloromethane	cbr3cl
1104	CF₂I₂	difluorodiiodomethane	cf2i2
1105	CBr₄	Carbon tetrabromide	cbr4
1106	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1107	SiBr₄	Silicon tetrabromide	sibr4
1108	CBr₃I	tribromoiododmethane	cbr3i
1109	GeBr₄	Germanium tetrabromide	gebr4
1110	CI₄	tetraiodomethane	ci4
1111	SiI₄	silicon tetraiodide	sii4
1112	ClOF₃	Chlorine trifluoride oxide	clof3
1113	SeF₄	Selenium tetrafluoride	sef4
1114	SCl₄	Sulfur tetrachloride	scl4
1115	C₂HF₃	Trifluoroethylene	c2hf3
1116	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1117	CHClCCl₂	Trichloroethylene	chclccl2
1118	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1119	HClO₄	perchloric acid	hclo4
1120	HSO₃F	Fluorosulfonic acid	hso3f
1121	CF₃OH	trifluoromethanol	cf3oh
1122	CHClCCHCl	1,3-dichloroallene	chclcchcl
1123	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1124	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1125	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1126	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1127	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1128	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1129	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1130	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1131	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1132	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1133	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1134	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1135	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1136	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1137	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1138	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1139	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1140	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1141	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1142	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1143	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1144	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1145	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1146	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1147	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1148	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1149	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1150	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1151	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1152	C₄H₉F	1-fluorobutane	butaf1
1153	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1154	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1155	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1156	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1157	XeF₄	Xenon tetrafluoride	xef4
1158	C₂H₂N₂O	Furazan	furazan
1159	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1160	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1161	C₆H₂	hexatriyne	c6h2
1162	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1163	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1164	C₆H₄	Benzyne	benzyne
1165	C₆H₅	phenyl	phenyl
1166	C₆H₅^-	phenyl anion	phenyl-
1167	C₆H₆	Prismane	prismane
1168	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1169	C₆H₆	2,4-Hexadiyne	hexadiyne
1170	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1171	C₆H₆	Benzene	benzene
1172	C₆H₆	Benzvalene	bv
1173	C₆H₆	Dewar Benzene	dewar
1174	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1175	C₆H₆	Trimethylenecycopropane	tmcp
1176	C₆H₆⁺	Benzene cation	c6h6+
1177	C₆H₇⁺	benzene, protonated	c6h7+
1178	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1179	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1180	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1181	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1182	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1183	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1184	C₆H₈	3-Methylenecyclopentene	c930267
1185	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1186	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1187	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1188	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1189	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1190	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1191	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1192	C₆H₁₀	1,5-Hexadiene	c592427
1193	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1194	C₆H₁₀	1-Hexyne	hexyne1
1195	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1196	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1197	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1198	C₆H₁₀	2-Hexyne	c764352
1199	C₆H₁₀	3-Hexyne	hexyne3
1200	C₆H₁₀	cyclohexene	cyclohexene
1201	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1202	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1203	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1204	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1205	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1206	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1207	C₆H₁₂	(E)-2-Hexene	e2hexene
1208	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1209	C₆H₁₂	(E)-hex-3-ene	e3hexene
1210	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1211	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1212	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1213	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1214	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1215	C₆H₁₂	3-methylenepentane	c760214
1216	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1217	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1218	C₆H₁₂	Cyclohexane	cyclohexane
1219	C₆H₁₂	Cyclopentane, methyl-	c96377
1220	C₆H₁₂	Ethylcyclobutane	c4806615
1221	C₆H₁₂	hex-1-ene	hexene1
1222	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1223	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1224	C₆H₁₄	Hexane	hexane
1225	C₆H₁₄	Pentane, 2-methyl-	penta2
1226	C₆H₁₄	Pentane, 3-methyl-	penta3
1227	C₄N₂	2-Butynedinitrile	c4n2
1228	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1229	C₄H₂N₂	Fumaronitrile	c4h2n2
1230	C₂H₂N₄	sym-tetrazine	ttz
1231	C₃H₃N₃	1,3,5-Triazine	triazine135
1232	CH₃N₅	5-Aminotetrazole	c4418615
1233	C₄H₄N₂	1,3-Diazine	diazine13
1234	C₄H₄N₂	Pyrazine	pyrazine
1235	C₄H₄N₂	Pyridazine	pyridazine
1236	C₄H₄N₂	Succinonitrile	c110612
1237	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1238	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1239	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1240	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1241	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1242	C₅H₅N	Pyridine	pyridine
1243	B₃N₃H₆	borazine	borazine
1244	C₆H₆	Fulvene	fulvene
1245	C₅H₆N⁺	Pyridinium	c5h6n
1246	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1247	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1248	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1249	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1250	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1251	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1252	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1253	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1254	C₅H₉N	Pentanenitrile	c110598
1255	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1256	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1257	C₅H₁₁N	Cyclopentanamine	cypentam
1258	C₅H₁₁N	Piperidine	piper
1259	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1260	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1261	Li₂CO₃	Lithium Carbonate	li2co3
1262	Na₂CO₃	Sodium Carbonate	na2co3
1263	C₂O₄^--	oxalate anion	c2o4
1264	MgSO₄	Magnesium Sulfate	mgso4
1265	N₂O₄	Dinitrogen tetroxide	n2o4
1266	C₂H₂O₄	Oxalic Acid	oxalic
1267	C₂H₃NO₃	Oxamic acid	oxamic
1268	C₄H₄O₂	2(5H)-Furanone	furanone
1269	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1270	C₂H₄N₂O₂	Oxalamide	oxalamide
1271	C₂H₄N₂S₂	Ethanedithioamide	c79403
1272	C₂H₄CO₃	Ethylene carbonate	etco3
1273	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1274	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1275	C₂H₄O₄	Formic acid dimer	fadimer
1276	C₄H₅NO	3-Methylisoxazole	isox3m
1277	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1278	C₄H₅NS	4-Methylthiazole	c693958
1279	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1280	C₅H₆O	2-methylfuran	furan2m
1281	C₅H₆O	3-Methylfuran	furan3m
1282	C₅H₆O	Pentadienal	pdal
1283	C₅H₆S	Thiophene, 2-methyl-	c554143
1284	C₅H₆S	Thiophene, 3-methyl-	c616444
1285	C₄H₆O₂	γ–Butyrolactone	c96480
1286	C₄H₆O₂	2,3-Butanedione	c431038
1287	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1288	C₄H₆O₂	Crotonic Acid	crot
1289	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1290	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1291	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1292	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1293	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1294	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1295	C₄H₆OS	Vinyl sulfoxide	c1115157
1296	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1297	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1298	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1299	C₃H₆O₃	1,3,5-Trioxane	trioxane
1300	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1301	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1302	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1303	C₄H₇NO	2-Pyrrolidinone	c616455
1304	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1305	C₄H₇NO	Methacrylamide	c79390
1306	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1307	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1308	C₃H₇ONO	Propyl nitrite	prono
1309	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1310	CH₃CH(NH₂)COOH	Alanine	alanine
1311	CH₃NHCH₂COOH	Sarcosine	sarcosine
1312	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1313	NH₂COOC₂H₅	Urethane	urethane
1314	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1315	C₅H₈O	Cyclopentanone	c120923
1316	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1317	C₅H₈O	Methyl cyclopropyl ketone	c765435
1318	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1319	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1320	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1321	C₄H₈O₂	1,3-Dioxane	dioxan13
1322	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1323	C₄H₈O₂	1,4-Dioxane	dioxan14
1324	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1325	C₄H₈O₂	Ethyl acetate	c141786
1326	C₄H₈OS	s-Ethyl thioacetate	c625605
1327	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1328	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1329	C₄H₉NO	Butanamide	c541355
1330	C₄H₉NO	Propanamide, 2-methyl-	c563837
1331	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1332	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1333	C₅H₁₀O	2-methylbutyraldehyde	2meba
1334	C₅H₁₀O	2-Pentanone	mpk
1335	C₅H₁₀O	3-Pentanone	dek
1336	C₅H₁₀O	Cyclopentanol	c96413
1337	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1338	C₅H₁₀O	Pentanal	pal
1339	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1340	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1341	C₅H₁₀S	Cyclopentanethiol	c1679078
1342	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1343	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1344	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1345	C₄H₁₀O₂	1,3-Butanediol	budiol13
1346	C₄H₁₀O₂	1,4-Butanediol	budiol14
1347	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1348	C₄H₁₀OS	Diethyl sulfoxide	c70291
1349	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1350	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1351	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1352	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1353	C₅H₁₂O	1-Pentanol	pentanol1
1354	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1355	C₅H₁₂O	2-Pentanol	peol2
1356	C₅H₁₂O	3-Pentanol	pentan3ol
1357	C₅H₁₂O	Butane, 1-methoxy-	meobu
1358	C₅H₁₂O	Propane, 1-ethoxy-	proet
1359	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1360	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1361	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1362	C₅H₁₂S	1-Pentanethiol	c110667
1363	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1364	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1365	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1366	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1367	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1368	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1369	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1370	C₄F₂	difluorobutadiyne	c4f2
1371	ClCOClCO	Oxalyl chloride	oxcl
1372	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1373	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1374	B₂F₄	Diboron tetrafluoride	b2f4
1375	B₂Cl₄	Diboron tetrachloride	b2cl4
1376	C₂F₄	Tetrafluoroethylene	c2f4
1377	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1378	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1379	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1380	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1381	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1382	C₂FCl₃	fluorotrichloroethene	c2fcl3
1383	C₂Cl₄	Tetrachloroethylene	c2cl4
1384	C₂Br₄	tetrabromoethene	c2br4
1385	CF₃OF	Trifluoromethylhypofluorite	cf3of
1386	SiF₅^-	silicon pentafluoride anion	sif5-
1387	SOF₄	Sulfur tetrafluoride oxide	sof4
1388	PF₅	Phosphorus pentafluoride	pf5
1389	AsF₅	Arsenic pentafluoride	asf5
1390	PCl₅	Phosphorus pentachloride	pcl5
1391	SF₅	Sulfur pentafluoride	sf5
1392	SF₅⁺	pentafluoro sulfur cation	sf5+
1393	SbCl₅	Antimony pentachloride	sbcl5
1394	BrF₅	bromine pentafluoride	brf5
1395	ClF₅	chlorinepentafluoride	clf5
1396	IF₅	pentafluoroiodine	if5
1397	CF₃CHO	trifluoroacetaldehyde	cf3cho
1398	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1399	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1400	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1401	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1402	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1403	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1404	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1405	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1406	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1407	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1408	CF₃COOH	trifluoroacetic acid	cf3cooh
1409	C₄H₃ClO	Furan, 2-chloro	fur2cl
1410	C₄H₃ClO	Furan,3-chloro	fur3cl
1411	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1412	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1413	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1414	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1415	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1416	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1417	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1418	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1419	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1420	C₄H₈O₂	Butanoic acid	bua
1421	C₆H₅CH₂	benzyl radical	benzyl
1422	C₇H₇	cycloheptatrienyl radical	c7h7
1423	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1424	C₆H₅CH₃	toluene	toluene
1425	C₇H₈	cycloheptatriene	cht
1426	C₇H₈	Norbornadiene	norbor
1427	C₇H₈	Quadricyclane	qucy
1428	C₇H₁₂	Norbornane	nor
1429	C₇H₁₄	cycloheptane	c7h14
1430	C₇H₁₆	2-methylhexane	2mhex
1431	C₇H₁₆	3-methylhexane	hex3m
1432	C₇H₁₆	heptane	heptane
1433	CH(CN)₃	tricyanomethane	mecn3
1434	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1435	C₆H₇N	2-Methylpyridine	mp
1436	C₆H₅NH₂	aniline	aniline
1437	C₆H₁₃N	2-Methylpiperidine	pip2m
1438	C₆H₁₃N	cyclohexanamine	cham
1439	C₆H₁₅N	triethylamine	tea
1440	N₂O₅	Dinitrogen pentoxide	n2o5
1441	C₄H₂O₃	Maleic Anhydride	malan
1442	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1443	C₅H₄O₂	furfural	furfural
1444	C₆H₅O	phenoxy radical	phenoxy
1445	C₅H₅NO	2(1H)-Pyridinone	c72762006
1446	C₅H₅NO	2(3H)-Pyridinone	c9000048
1447	C₅H₅NO	2(5H)-Pyridinone	c9000037
1448	C₅H₅NO	2-Pyridinol	c109104
1449	C₅H₅NO	3(2H)-Pyridinone	c9000004
1450	C₅H₅NO	3(4H)-Pyridinone	c9000026
1451	C₅H₅NO	3(6H)-Pyridinone	c9000015
1452	C₅H₅NO	3-Pyridinol	c109002
1453	C₅H₅NO	4(1H)-Pryidinone	c9000060
1454	C₅H₅NO	4(3H)-Pryidinone	c9000059
1455	C₅H₅NO	4-Pyridinol	c626642
1456	C₆H₅OH	phenol	phenol
1457	C₆H₆O	2,4-Cyclohexadienone	c24599573
1458	C₆H₆O	2,5-Cyclohexadienone	c5664335
1459	C₆H₅SH	Benzenethiol	phsh
1460	HO₂CCHNH₂CH₂OH	Serine	serine
1461	C₅H₈O₂	Acetylacetone	acac
1462	C₄H₈O₂S	Sulfolane	sulfolane
1463	C₇H₁₀	Norbornene	norbornene
1464	CH(C₂H₃)₃	trivinyl methane	tvm
1465	C₆H₁₀O	cyclohexanone	chexo
1466	C₆H₁₂O	hexanal	c6h12o
1467	C₆H₁₂O	Oxepane	oxepane
1468	C₃H₇OC₃H₇	di-n-propyl ether	propr
1469	F₂CCCF₂	tetrafluoroallene	pfa
1470	CF₃COO^-	trifluoro acetate anion	cf3coo-
1471	CF₃COF	trifluoroacetyl fluoride	cf3cof
1472	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1473	PF₆	Hexafluorophosphate neutral	pf6
1474	PF₆^-	Hexafluorophosphate ion	pf6-
1475	SeF₆	Selenium hexafluoride	sef6
1476	SF₅Cl	sulfur chloropentafluoride	sf5cl
1477	CF₃CHF₂	pentafluoroethane	cf3chf2
1478	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1479	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1480	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1481	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1482	C₆H₅F	Fluorobenzene	bzf
1483	C₆H₅Cl	chlorobenzene	bzcl
1484	C₆H₅Br	bromobenzene	bzbr
1485	C₈H₆	Calicene	calicene
1486	C₆H₅CCH	phenylacetylene	phac
1487	C₈H₆	benzocyclobutadiene	bcbd
1488	C₈H₆	Pentalene	pentalene
1489	C₆H₅CHCH₂	Styrene	styrene
1490	C₈H₈	cubane	cubane
1491	C₈H₈	cyclooctatetraene	cot
1492	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1493	CH₃C₆H₄CH₃	meta-xylene	mxylene
1494	CH₃C₆H₄CH₃	paraxylene	pxylene
1495	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1496	C₈H₁₆	cyclooctane	cyclooct
1497	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1498	C₈H₁₈	Octane	c8h18
1499	C₆H₅CN	phenyl cyanide	phcn
1500	C₆H₁₂N₂	Triethylenediamine	ted
1501	C₄O₄^--	squarate dianion	c4o4--
1502	S₄N₄	Tetrasulfur tetranitride	s4n4
1503	S₈	Octasulfur	s8
1504	C₆H₄O₂	parabenzoquinone	pbq
1505	C₄H₄N₂O₂	Uracil	uracil
1506	C₆H₅CHO	benzaldehyde	benzal
1507	C₆H₅OCH₃	Anisole	anisole
1508	C₅H₉NO₂	Proline	proline
1509	C₆H₁₂O₂	Methyl pivalate	c598981
1510	C₆H₁₂O₂	Hexanoic acid	hexa
1511	C₄F₄	tetrafluorcyclobutadiene	c4f4
1512	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1513	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1514	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1515	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1516	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1517	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1518	C₂F₆	hexafluoroethane	c2f6
1519	C₂Cl₆	hexachloroethane	c2cl6
1520	IF₇	Iodine heptafluoride	if7
1521	C₆H₄F₂	metadifluorobenzene	mdfb
1522	C₆H₄F₂	orthodifluorobenzene	odfb
1523	C₆H₄F₂	1,4-difluorobenzene	pdfb
1524	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1525	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1526	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1527	C₆H₅NO	nitrosobenzene	bzno
1528	C₉H₈	Indene	indene
1529	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1530	C₉H₁₂	n-propyl benzene	prbz
1531	C₉H₂₀	Nonane	nonane
1532	C(CN)₄	tetracyanomethane	c5n4
1533	C₅H₄N₄	purine	purine
1534	C₈H₇N	Indole	indole
1535	C₃H₃N₃O₃	cyanuric acid	cyanuric
1536	C₆H₅NO₂	Nitrobenzene	c6h5no2
1537	C₆H₅COOH	benzoic acid	benzo
1538	CH₃COC₆H₅	acetophenone	acph
1539	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1540	C₃F₆	hexafluoropropene	c3f6
1541	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1542	C₈H₁₈O	1-Octanol	octanol
1543	C₁₀H₈	Azulene	azu
1544	C₁₀H₈	naphthalene	naph
1545	C₁₀H₁₀	bullvalene	bullv
1546	C₁₀H₁₆	adamantane	adamantane
1547	C₆N₄	Tetracyanoethylene	tcne
1548	C₆N₄^-	tetracyanoethylene anion	tcne-
1549	C₁₀H₂₂	Decane	decane
1550	C₄F₆	perfluorobutadiene	c4f6
1551	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1552	C₃F₈	perfluoropropane	c3f8
1553	Fe(CO)₅	Iron pentacarbonyl	ipc
1554	Fe(C₅H₅)₂	ferrocene	fecp2
1555	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1556	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1557	C₁₂H₈	Acenaphthylene	acenaph
1558	C₁₂H₈	biphenylene	biph
1559	C₁₂H₁₀	biphenyl	biphenyl
1560	C₁₂H₁₀	Heptalene	heptalene
1561	C₆H₁₂O₆	Inositol	inositol
1562	C₆F₆	hexafluorobenzene	c6f6
1563	S₂F₁₀	disulphur decafluoride	s2f10
1564	C₁₃H₁₀	Fluorene	fluorene
1565	C₁₄H₁₀	Anthracene	anth
1566	C₁₄H₁₀	Phenanthrene	phenanthrene
1567	C₁₄H₁₄	Bibenzyl	bibenzyl
1568	C₁₂H₁₀N₂	azobenzene	azobenzene
1569	C₆H₅COC₆H₅	benzophenone	benzophenone
1570	C₁₆H₁₀	Pyrene	pyrene
1571	C₁₈H₁₂	Tetracene	tetracene
1572	C₁₉H₁₆	Triphenylmethane	tpm
1573	C₂₄H₁₂	Coronene	coronene
1574	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