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

List of which calculations are completed at CCSD=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	²S	K_h
12	Li^-	Lithium atom anion	¹S	K_h
13	Li⁺	Lithium atom cation	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	Na⁺	Sodium atom cation	¹S	K_h
16	LiH	Lithium Hydride	¹Σ	C_∞v
17	LiH⁺	lithium hydride cation	²Σ	C_∞v
18	NaH	sodium hydride	¹Σ	C_∞v
19	NaH⁺	sodium hydride cation	²Σ	C_∞v
20	Be	Beryllium atom	¹S	K_h
21	Be⁺	Beryllium atom cation	²S	K_h
22	Mg	Magnesium atom	¹S	K_h
23	Mg⁺	Magnesium atom cation	²S	K_h
24	BeH	beryllium monohydride	²Σ	C_∞v
25	MgH	magnesium monohydride	²Σ	C_∞v
26	TiH	Titanium monohydride	⁴Φ	C_∞v
27	ZnH⁺	Zinc, protonated
28	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
29	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
30	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
31	BeH₂⁺	Beryllium dihydride cation
32	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
33	B	Boron atom	²P	K_h
34	B	Boron atom	⁴P	K_h
35	B⁺	Boron atom cation	¹S	K_h
36	Al	Aluminum atom	²P	K_h
37	Al^-	Aluminum atom anion	³P	K_h
38	Al⁺	Aluminum atom cation	¹S	K_h
39	Sc	Scandium atom	²D	K_h
40	Sc⁺	Scandium cation	³D	K_h
41	Ga	Gallium atom	²P
42	Ga^-	Gallium atom anion	³P	O_h
43	Ga⁺	Gallium atom cation	¹S
44	BH	Boron monohydride	¹Σ	C_∞v
45	BH	Boron monohydride	³Π	C_∞v
46	BH^-	boron monohydride anion	⁴Σ	C_∞v
47	ScH	Scandium monohydride	¹Σ	C_∞v
48	GaH	Gallium monohydride	¹Σ	C_∞v
49	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
50	BH₂^-	boron dihydride anion	³B₁	C_2v
51	BH₂^-	boron dihydride anion	¹A₁	C_2v
52	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
53	BH₃	boron trihydride	¹A₁^'	D_3h
54	BH₃⁺	boron trihydride cation	²B₂	C_2v
55	BH₃⁺	boron trihydride cation		C_2v
56	AlH₃	aluminum trihydride	¹A₁^'	D_3h
57	AlH₃^-	aluminum trihydride anion		C_3v
58	ScH₃	Scandium trihydride	¹A₁^'	D_3h
59	ScH₃	Scandium trihydride	¹A₁	C_3v
60	GaH₃	Gallium trihydride	¹A₁^'	D_3h
61	BH₄	borohydride	²B₂	C_2v
62	BH₄^-	borohydride anion	¹A₁	T_d
63	C	Carbon atom	³P₀	K_h
64	C	Carbon atom	³P₁	K_h
65	C^-	Carbon atom anion	²D	K_h
66	C⁺	Carbon atom cation	²P	K_h
67	Si	Silicon atom	³P	K_h
68	Si	Silicon atom	¹S	K_h
69	Si^-	Silicon atom anion	⁴S	K_h
70	Si⁺	Silicon atom cation	²P	K_h
71	Ge	Germanium atom	³P	K_h
72	Ge^-	Germanium anion	⁴S	K_h
73	Ge⁺	Germanium cation	²P	K_h
74	CH	Methylidyne	²Π_1/2	C_∞v
75	SiH	Silylidyne	²Π	C_∞v
76	SiH^-	silicon monohydride anion	³Σ	C_∞v
77	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
78	GeH	germylidene	²Π	C_∞v
79	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
80	CH₂	Methylene	³B₁	C_2v
81	CH₂	Methylene	³Σ_G	D_∞h
82	CH₂	Methylene	¹A₁	C_2v
83	CH₂^-	methylene anion	²B₁	C_2v
84	CH₂⁺	methylene cation	²A₁	C_2v
85	CH₂⁺	methylene cation	²Π	D_∞h
86	SiH₂	silicon dihydride	¹A₁	C_2v
87	SiH₂	silicon dihydride	³B₁	C_2v
88	GeH₂	germylene	¹A₁	C_2v
89	GeH₂^-	germylene anion	²B₁	C_2v
90	CH₃	Methyl radical	²A₁	D_3h
91	CH₃^-	methyl anion	¹A₁	C_3v
92	CH₃⁺	methyl cation	¹A₁^'	D_3h
93	SiH₃	Silyl radical	²A₁	C_3v
94	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
95	GeH₃	Germyl radical	²A₁	C_3v
96	GeH₃⁺	germyl cation	¹A₁^'	D_3h
97	CD₄	methane-d4	¹A₁	T_d
98	CH₂D₂	methane-d2	¹A₁	C_2v
99	CH₃D	methane-d	¹A₁	C_3v
100	CH₄	Methane	¹A₁	T_d
101	CHD₃	methane-d3	¹A₁	C_3v
102	SiH₂D₂	silane-d2
103	SiH₄	Silane	¹A₁	T_d
104	GeH₄	Germane	¹A₁	T_d
105	SiH₅⁺	Silane, protonated
106	N	Nitrogen atom	⁴S	K_h
107	N	Nitrogen atom	²D	K_h
108	N⁺	Nitrogen atom cation	³P	K_h
109	P	Phosphorus atom	⁴S	K_h
110	V	Vanadium atom	⁴F	K_h
111	V⁺	Vanadium atom cation	⁵D	K_h
112	As	Arsenic atomic	⁴S	K_h
113	As^-	Arsenic anion	³P	K_h
114	As⁺	Arsenic cation	³P	K_h
115	PH	phosphorus monohydride	³Σ^-	C_∞v
116	AsH	Arsenic monohydride	³Σ	C_∞v
117	AsH	Arsenic monohydride	¹Σ	C_∞v
118	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
119	NH₂	Amino radical	²B₁	C_2v
120	NH₂⁺	Amino cation	³B₁	C_2v
121	NH₂⁺	Amino cation	¹A₁	C_2v
122	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
123	NH₃	Ammonia	¹A₁	C_3v
124	NH₃^-	Ammonia anion	²A₁	C_3v
125	NH₃⁺	ammonia cation	²A₂^"	D_3h
126	PH₃	Phosphine	¹A₁	C_3v
127	PH₃⁺	Phosphine cation	²A₁	C_3v
128	AsH₃⁺	Arsine cation	²A₁	C_3v
129	AsH₄⁺	Arsonium
130	NH₄	Ammonium radical
131	NH₄⁺	ammonium cation	¹A₁	T_d
132	PH₄	Phosphoranyl radical
133	PH₄⁺	phosphonium cation
134	O	Oxygen atom	³S	K_h
135	O⁺	Oxygen atom cation	⁴S	K_h
136	S	Sulfur atom	³P	K_h
137	S	Sulfur atom
138	S^-	Sulfur atom anion	²P	K_h
139	S⁺	Sulfur atom cation	⁴S	K_h
140	Se	Selenium atom	³P	K_h
141	Se^-	Selenium atom anion	²P	K_h
142	Se⁺	Selenium atom cation	⁴S	K_h
143	OH	Hydroxyl radical	²Π	C_∞v
144	OH^-	hydroxide anion	¹Σ	C_∞v
145	OH⁺	hydoxyl cation	³Σ	C_∞v
146	HS	Mercapto radical	²Π	C_∞v
147	HS^-	mercapto anion	¹Σ	C_∞v
148	HS⁺	sulfur monohydride cation	³Σ	C_∞v
149	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
150	HSe	Selenium monohydride	²Π	C_∞v
151	HSe^-	selenium monohydride anion	¹Σ	C_∞v
152	HSe⁺	selenium monohydride cation	³Σ	C_∞v
153	H₂O	Water	¹A₁	C_2v
154	H₂O^-	water anion	²A₁	C_2v
155	H₂O^-	water anion	²A^'	C_s
156	H₂O⁺	water cation	²B₁	C_2v
157	HDO	Water-d1	¹A₁	C_2v
158	H₂S	Hydrogen sulfide	¹A₁	C_2v
159	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
160	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
161	H₂Se	Hydrogen selenide	¹A₁	C_2v
162	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
163	H₃O⁺	hydronium cation	¹A₁	C_3v
164	H₃S⁺	Sulfonium cation	¹A₁	C_3v
165	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
166	F	Fluorine atom	²P	K_h
167	F^-	Fluorine atom anion	¹S	K_h
168	F⁺	Fluorine atom cation	³S	K_h
169	F⁺	Fluorine atom cation	¹D	K_h
170	Cl	Chlorine atom	²P	K_h
171	Cl^-	Chlorine atom anion	¹S	K_h
172	Cl⁺	Chlorine atom cation	³P	K_h
173	Cl⁺	Chlorine atom cation	¹D	K_h
174	Br	Bromine atom	²P	K_h
175	Br^-	Bromine atom anion	¹S	K_h
176	Br⁺	Bromine atom cation	³P	K_h
177	HF	Hydrogen fluoride	¹Σ	C_∞v
178	HF^-	hydrogen fluoride anion	²Σ	C_∞v
179	HF⁺	hydrogen fluoride cation	²Π	C_∞v
180	HCl	Hydrogen chloride	¹Σ	C_∞v
181	HCl^-	hydrogen chloride anion	²Σ	C_∞v
182	HCl⁺	hydrogen chloride cation	²Π	C_∞v
183	HBr	hydrogen bromide	¹Σ	C_∞v
184	HBr^-	hydrogen bromide anion	²Σ	C_∞v
185	HBr⁺	hydrogen bromide cation	²Π	C_∞v
186	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
187	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
188	Ne	Neon atom	¹S	K_h
189	Ne	Neon atom
190	Ne⁺	Neon atom cation	²P	K_h
191	Ar	Argon atom	¹S	K_h
192	Kr	Krypton atom	¹S	K_h
193	Kr⁺	Krypton cation	²P	K_h
194	HeLi⁺	Helium Lithium cation
195	NeH	neon hydrogen	²Σ	C_∞v
196	ArH⁺	Argon hydride cation	¹Σ	C_∞v
197	KrH⁺	Protonated Krypton	¹Σ	C_∞v
198	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
199	Li₂	Lithium diatomic	¹Σ_g	D_∞v
200	NaLi	lithium sodium	¹Σ	C_∞v
201	Na₂	Sodium diatomic	¹Σ_g	D_∞h
202	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
203	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
204	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
205	Be₂	Beryllium diatomic	³Π_g	D_∞h
206	BeMg	Beryllium Magnesium	¹Σ	C_∞v
207	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
208	LiB	Lithium boride	³Π	C_∞v
209	LiAl	Lithium Aluminum
210	NaAl	Sodium aluminum	¹Σ	C_∞v
211	BeB	Beryllium monoboride	²Π	C_∞v
212	B₂	Boron diatomic	³Σ_g	D_∞h
213	B₂	Boron diatomic	¹Σ_g	D_∞h
214	B₂	Boron diatomic	⁵Σ_u	D_∞h
215	B₂⁺	Boron diatomic cation	²Π	D_∞h
216	BAl	Boron Aluminum	³Σ	C_∞v
217	BGa	Boron Gallium	³Σ	C_∞v
218	AlGa	Aluminum Gallium	³Σ	C_∞v
219	AlGa	Aluminum Gallium	¹Σ	C_∞v
220	Ga₂	Gallium diatomic	³P_iu
221	HBBH	Diborane(2)	³Σ_G	D_∞h
222	LiBH₄	Lithium borohydride	¹A₁	C_3v
223	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
224	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
225	B₂H₆	Diborane	¹A_g	D_2h
226	B₂H₆⁺	Diborane cation
227	Al₂H₆	dialane	¹A_G	D_2h
228	LiC	Lithium Carbide	⁴Σ	C_∞v
229	BeC	Beryllium Carbide	³Σ^-	C_∞v
230	BeC	Beryllium Carbide
231	BC	boron monocarbide	⁴Σ^-	C_∞v
232	AlC	Aluminum carbide	⁴Σ	C_∞v
233	BSi	Boron silicide	⁴Σ	C_∞v
234	BSi	Boron silicide	²Σ	C_∞v
235	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
236	C₂	Carbon diatomic	³Σ_g^-
237	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
238	SiC	silicon monocarbide	³Σ	C_∞v
239	SiC	silicon monocarbide	¹Σ	C_∞v
240	GeC	Germanium monocarbide	¹Σ	C_∞v
241	SiGe	Silicon Germanium
242	C₂H	Ethynyl radical	²Σ	C_∞v
243	C₂H^-	Ethynyl anion	¹Σ	C_∞v
244	C₂H₂	Acetylene	¹Σ_g	D_∞h
245	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
246	C₂H₂⁺	acetylene cation
247	CCH₂	vinylidene	³B₂	C_2v
248	H₂CC^-	vinylidene anion
249	HCCH^-	acetylene anion
250	HCCH^-	acetylene anion
251	Si₂H₂	disilyne
252	Si₂H₂	disilyne
253	Si₂H₂	disilyne
254	Si₂H₂	disilyne
255	CH₃Li	methyl lithium	¹A₁	C_3v
256	CH₂BH	methyleneborane	¹A₁	C_2v
257	C₂H₃	vinyl	²A^'	C_s
258	C₂H₃^-	vinyl anion	¹A^'	C_s
259	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
260	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
261	C₂H₄⁺	Ethylene cation	²B₃	D₂
262	Si₂H₄	Disilene
263	Si₂H₄	Disilene
264	Si₂H₄	Disilene
265	CH₃BH₂	methylborane	¹A^'	C_s
266	C₂H₅	Ethyl radical	²A^'	C_s
267	C₂H₅^-	Ethyl anion	¹A^'	C_s
268	C₂H₆	Ethane	¹A_1g	D_3d
269	C₂H₆	Ethane	¹A₁^'	D_3h
270	Si₂H₆	disilane	¹E_u	D_3d
271	LiN	Lithium Nitride	³Σ	C_∞v
272	LiP	Lithium monophosphide
273	LiP	Lithium monophosphide
274	BeN	Beryllium mononitride	⁴Σ	C_∞v
275	BeN	Beryllium mononitride	²Π	C_∞v
276	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
277	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
278	MgN	Magnesium Nitride
279	MgN	Magnesium Nitride
280	BP	Boron monophosphide	³Π	C_∞v
281	BP	Boron monophosphide	¹Σ	C_∞v
282	AlP	Aluminum monophosphide	³Σ	C_∞v
283	AlP	Aluminum monophosphide	³Π	C_∞v
284	AlP	Aluminum monophosphide	¹Σ	C_∞v
285	GaN	Gallium mononitride	³Π	C_∞v
286	GaN	Gallium mononitride	¹Σ	C_∞v
287	GaP	Gallium monophosphide	³Σ	C_∞v
288	GaP	Gallium monophosphide	¹Σ	C_∞v
289	GaAs	Gallium arsenide	³Π
290	GaAs	Gallium arsenide	¹Σ
291	BN	boron nitride	³Π	C_∞v
292	BN	boron nitride	¹Σ	C_∞v
293	CN	Cyano radical	²Σ	C_∞v
294	CN^-	cyanide anion	¹Σ	C_∞v
295	SiP	Silicon monophosphide	²Π	C_∞v
296	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
297	N₂	Nitrogen diatomic
298	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
299	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
300	PN	Phosphorus mononitride	¹Σ	C_∞v
301	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
302	AsN	Arsenic mononitride	¹Σ	C_∞v
303	AsP	Arsenic monophosphide	¹Σ	C_∞v
304	HCN	Hydrogen cyanide	¹Σ	C_∞v
305	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
306	HNC⁺	hydrogen isocyanide cation
307	HCP⁺	Phosphaethyne cation
308	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
309	LiNH₂	lithium amide
310	HBNH	Boranimine	¹Σ	C_∞v
311	CNH₂	Aminomethylidyne radical	²B₂	C_2v
312	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
313	HCNH	methyleneazane	²A^'	CS trans
314	H₂NN	Isodiazene
315	N₂H₂	(E)-diazene	¹A_g	C_2h
316	N₂H₂	(Z)-Diazene	¹A₁	C_2v
317	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
318	CH₂NH	Methanimine	¹A^'	C_s
319	CH₂NH⁺	Methanimine cation
320	CHNH₂	aminomethylene
321	CHNH₂⁺	Aminocarbene cation
322	BH₂NH₂	Boranamine
323	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
324	N₂H₄	Hydrazine	¹A	C₂
325	CH₃NH₂	methyl amine	¹A^'	C_s
326	SiH₃NH₂	Silane, amino
327	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
328	BH₃PH₃	borane phosphine
329	BH₃NH₃	borane ammonia	¹A₁	C_3v
330	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
331	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
332	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
333	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
334	N₂H₇⁺	ammonia ammonium dimer
335	LiO	lithium oxide	²Σ	C_∞v
336	LiS	Lithium monosulfide	²Π	C_∞v
337	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
338	NaO	sodium monoxide	²Σ	C_∞v
339	NaS	Sodium sulfide	²Π	C_∞v
340	LiSe	Lithium monoselenide
341	BeO	beryllium oxide	¹Σ	C_∞v
342	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
343	BO	boron monoxide	²Σ	C_∞v
344	ScO	Scandium monoxide	²Σ	C_∞v
345	GaO	Gallium monoxide	²Σ	C_∞v
346	GaS	Gallium monosulfide
347	CO	Carbon monoxide	¹Σ	C_∞v
348	CO^-	carbon monoxide anion	²Π	C_∞v
349	CO⁺	carbon monoxide cation	²Σ	C_∞v
350	SiO	Silicon monoxide	¹Σ	C_∞v
351	SiS	silicon monosulfide	¹Σ	C_∞v
352	TiO	Titanium monoxide	³Δ	C_∞v
353	CSe	Carbon monoselenide	¹Σ	C_∞v
354	GeO	Germanium monoxide	¹Σ	C_∞v
355	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
356	GeS	Germanium monosulfide	¹Σ	C_∞v
357	SiSe	Silicon Monoselenide
358	SiSe⁺	Silicon Monoselenide cation
359	GeSe	Germanium monoselenide
360	NO	Nitric oxide	²Π	C_∞v
361	NO^-	nitric oxide anion	³Σ	C_∞v
362	NO⁺	nitric oxide cation	¹Σ	C_∞v
363	NS	Mononitrogen monosulfide	²Π	C_∞v
364	NS^-	nitrogen sulfide anion	³Σ	C_∞v
365	PO	Phosphorus monoxide	²Π	C_∞v
366	PS	phosphorus sulfide	²Σ	C_∞v
367	VO	Vanadium monoxide	⁴Σ^-
368	NSe	Nitrogen monoselenide	²Π	C_∞v
369	AsS	Arsenic monosulfide	²Π	C_∞v
370	PSe	Phosphorus monoselenide	²Π	C_∞v
371	AsSe	Arsenic monoselenide	²Π	C_∞v
372	O₂	Oxygen diatomic	³Σ_g	D_∞h
373	O₂	Oxygen diatomic	¹Δ_g	D_∞h
374	O₂^-	oxygen diatomic anion	²Π	D_∞h
375	O₂^--	dioxygen dianion
376	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
377	SO	Sulfur monoxide	³Σ	C_∞v
378	SO	Sulfur monoxide	¹Σ	C_∞v
379	SO⁺	sulfur monoxide cation	²Π	C_∞v
380	S₂	Sulfur diatomic	³Σ_g	D_∞h
381	SeO	Selenium monoxide	³Σ	C_∞v
382	Se₂	Selenium diatomic	³Σ_g	D_∞h
383	LiOH	lithium hydroxide	¹Σ	C_∞v
384	BeOH	beryllium monohydroxide	²A^'	C_s
385	BeOH	beryllium monohydroxide	²Σ	C_∞v
386	HBO	Boron hydride oxide	¹Σ	C_∞v
387	HBS	hydrogen boron sulfide	¹Σ	C_∞v
388	COH	Hydroxymethylidyne
389	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
390	HCO	Formyl radical	²A^'	C_s
391	HCO^-	formyl anion	¹A^'	C_s
392	HCO⁺	Formyl cation	¹Σ	C_∞v
393	HNO	Nitrosyl hydride	¹A^'	C_s
394	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
395	NOH	Hydroxyimidogen	³A^"	C_s
396	NOH⁺	O-protonated nitric oxide	²A^'	C_s
397	HO₂	Hydroperoxy radical	²A^"	C_s
398	HO₂⁺	Hydroperoxy cation	³A^"	C_s
399	HSO⁺	Sulfur Monoxide, S-protonated
400	SOH	Sulfur Hydroxide
401	SOH⁺	Sulfur Monoxide, protonated
402	HS₂	Thiosulfeno radical	²A^"	C_s
403	H₂CO	Formaldehyde	¹A₁	C_2v
404	H₂CO^-	formaldehyde anion	²A^'	C_s
405	H₂CO^-	formaldehyde anion
406	H₂CO⁺	formaldehyde cation	²B₂	C_2v
407	HOCH	hydroxycarbene	¹A^'	CS trans
408	HOCH	hydroxycarbene	¹A^'	CS cis
409	H₂CS	Thioformaldehyde	¹A₁	C_2v
410	H₂CS^-	thioformaldehyde anion
411	H₂CS^-	thioformaldehyde anion
412	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
413	H₂CSe	Selenoformaldehyde
414	H₂NO	nitroxide	²B₁	C_2v
415	H₂NO	nitroxide	²A^'	C_s
416	H₂O₂	Hydrogen peroxide	¹A	C₂
417	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
418	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
419	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
420	H₂OO	water oxide
421	HOSH	hydrogen thioperoxide
422	H₂S₂	Disulfane	¹A	C₂
423	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
424	H₂Se₂	hydrogen diselenide
425	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
426	CH₃O^-	methoxy anion	¹A₁	C_3v
427	CH₃O⁺	Methoxy cation	³A₁	C_3v
428	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
429	NH₂OH	hydroxylamine	¹A^'	C_s
430	NH₂OH⁺	Hydroxylamine cation
431	NH₃O	Ammonia Oxide	¹A₁	C_3v
432	H₂POH	Phosphinous acid	¹A₁^'	CS trans
433	H₂POH	Phosphinous acid	¹A₁^'	CS cis
434	CH₃OH	Methyl alcohol	¹A^'	C_s
435	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
436	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
437	CH₃SH	Methanethiol	¹A^'	C_s
438	SiH₃OH	silanol
439	NH₂OH₂⁺	protonated hydroxylamine
440	NH₃OH⁺	N-protonated hydroxylamine
441	H₂OH₂O	water dimer	¹A^'	C_s
442	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
443	LiF	lithium fluoride	¹Σ	C_∞v
444	LiCl	lithium chloride	¹Σ	C_∞v
445	NaF	sodium fluoride	¹Σ	C_∞v
446	NaF⁺	sodium fluoride cation	²Σ	C_∞v
447	NaCl	Sodium Chloride	¹Σ	C_∞v
448	LiBr	Lithium Bromide	¹Σ	C_∞v
449	LiF⁺	lithium fluoride cation	²Π	C_∞v
450	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
451	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
452	ZnF	Zinc monofluoride	²Σ	C_∞v
453	BF	Boron monofluoride	¹Σ	C_∞v
454	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
455	AlCl	Aluminum monochloride	¹Σ	C_∞v
456	ScF	Scandium monofluoride	¹Σ	C_∞v
457	BBr	Boron monobromide	¹Σ	C_∞v
458	GaF	Gallium monofluoride	¹Σ	C_∞v
459	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
460	AlBr	Aluminum monobromide
461	GaCl	Gallium monochloride	¹Σ_G	C_∞v
462	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
463	GaBr	Gallium monobromide
464	CF	Fluoromethylidyne	²Π	C_∞v
465	SiF	silicon monofluoride	²Π	C_∞v
466	SiF^-	silicon monofluoride anion	³Σ	C_∞v
467	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
468	SiCl	Clorosilylidyne	²Π	C_∞v
469	CBr	Carbon monobromide	²Π	C_∞v
470	GeF	Germanium monofluoride	²Π	C_∞v
471	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
472	GeCl	Germanium monochloride	²Π	C_∞v
473	GeCl⁺	Germanium monochloride cation
474	SiBr	Silicon monobromide	²Π	C_∞v
475	SiBr⁺	Silicon monobromide cation
476	NCl	nitrogen monochloride	³Σ	C_∞v
477	AsF	Arsenic monofluoride	³Σ	C_∞v
478	AsF	Arsenic monofluoride	¹Δ	C_∞v
479	NBr	nitrogen monobromide	³Σ^-	C_∞v
480	AsCl	Arsenic monochloride	³Σ	C_∞v
481	PBr	Phosphorus monobromide
482	FO	Oxygen monofluoride	²Π	C_∞v
483	ClO	Monochlorine monoxide	²Π	C_∞v
484	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
485	SF	Monosulfur monofluoride	²Π	C_∞v
486	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
487	SCl	sulfur monochloride	²Π	C_∞v
488	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
489	BrO	Bromine monoxide	²Π	C_∞v
490	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
491	BrO⁺	Bromine monoxide cation
492	SeF	Selenium monofluoride	²Π	C_∞v
493	SBr	Sulfur monobromide radical
494	SBr⁺	Sulfur monobromide cation
495	SeCl	Selenium monochloride	²Π	C_∞v
496	SeBr	Selenium monobromide
497	BrCl	Bromine monochloride	¹Σ	C_∞v
498	F₂	Fluorine diatomic	¹Σ_g	D_∞h
499	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
500	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
501	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
502	ClF⁺	clorine monofluoride cation	²Π	C_∞v
503	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
504	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
505	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
506	BrF	Bromine monofluoride	¹Σ	C_∞v
507	Br₂	Bromine diatomic	¹Σ_g	D_∞h
508	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
509	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
510	HCF	Fluoromethylene	¹A^'	C_s
511	HCF	Fluoromethylene	³A^"	C_s
512	HCCl	Chloromethylene	¹A^'	C_s
513	HCCl	Chloromethylene	³A^"	C_s
514	HSiF	fluorosilylene
515	HSiCl	Chlorosilylene
516	HSiBr	monobromosilylene
517	HOF	Hypofluorous acid	¹A^'	C_s
518	HOCl	hypochlorous acid	¹A^'	C_s
519	HOCl⁺	hypochlorous acid cation
520	HOBr	Hypobromous acid	¹A^'	C_s
521	HOBr⁺	Hypobromous acid cation	²A^"	C_s
522	F₂H⁺	Fluorine, protonated	¹A^'	C_s
523	ClFH⁺	Chlorine fluoride, F-protonated
524	FClH⁺	Chlorine fluoride, Cl-protonated
525	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
526	CH₂Br	bromomethyl radical
527	CH₂F	fluoromethyl radical	²A	C_s
528	CH₂F⁺	fluoromethyl cation
529	CH₂Cl⁺	chloromethyl cation
530	CH₂Cl	chloromethyl radical	²A^'	C_s
531	CH₂Cl	chloromethyl radical	²B₁	C_2v
532	NH₂Cl	chloramine	¹A^'	C_s
533	CH₃F⁺	methyl fluoride cation
534	CD₃F	methylfluoride-d3	¹A₁	C_3v
535	CH₃F	Methyl fluoride	¹A₁	C_3v
536	CD₃Cl	methyl chloride d3	¹A₁	C_3v
537	CH₃Cl	Methyl chloride	¹A₁	C_3v
538	SiH₃F	monofluorosilane	¹A₁	C_3v
539	SiH₃Cl	chlorosilane	¹A₁	C₁
540	CH₃Br	methyl bromide	¹A₁	C_3v
541	GeH₃F	monofluorogermane
542	GeH₃Cl	monochlorogermane
543	NH₃Cl⁺	protonated monochloroammonia
544	CH₃ClH⁺	methyl chloride, protonated
545	NH₄Cl	Ammonium chloride
546	LiNe⁺	Lithium Neon cation
547	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
548	Ar₂	Argon diatomic	¹S_g	D_∞h
549	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
550	Li₃	Lithium trimer	²B₂	C_2v
551	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
552	C₃	carbon trimer	¹Σ_g	D_∞h
553	C₃	carbon trimer	¹A₁	C_2v
554	SiC₂	Silicon dicarbide
555	C₃H₄	cyclopropene	¹A₁	C_2v
556	CH₂CCH₂	allene	¹A₁	D_2d
557	CH₃CCH	propyne	¹A^'	C_3v
558	CH₂CHCH₃	Propene	¹A^'	C_s
559	C₃H₇	n-Propyl radical	²A^"	C₁
560	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
561	Si₃H₈	trisilane
562	LiCN	lithium cyanide	¹Σ	C*V LiCN
563	LiCN	lithium cyanide	¹A^'	C_s
564	LiCN	lithium cyanide	¹Σ	C*V LiNC
565	NaCN	Sodium Cyanide	¹Σ	C_∞v
566	NaCN	Sodium Cyanide	¹A	C_s
567	NaCN	Sodium Cyanide	¹Σ	C_∞v
568	ZnCN	Zinc monocyanide	²Σ	C_∞v
569	ZnNC	Zinc isocyanide	²Σ	C_∞v
570	AlCN	Aluminum monocyanide
571	AlNC	Aluminum isocyanide
572	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
573	CNN	Diazocarbene
574	NCN	Cyanoimidogen	³Σ_g	D_∞h
575	NCN	Cyanoimidogen	¹Σ_g	D_∞h
576	N₃	azide radical	²Π_g	D_∞h
577	N₃⁺	azide cation	³Σ_g	D_∞h
578	N₃⁺	azide cation	³Σ	C_∞v
579	HN₃	hydrogen azide	¹A^'	C_s
580	HN₃⁺	Hydrazoic acid cation
581	HNCNH	diiminomethane	¹A	C₂
582	HNNNH⁺	1,2-Triazadienium
583	NH₂NN⁺	hydrazoic acid, protonated
584	CH₃CN	Acetonitrile	¹A₁	C_3v
585	HCNCH₂⁺	2H-Azirine cation
586	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
587	NH₂CNH⁺	cyanamide, cn protonated
588	NH₃CN⁺	cyanamide, amine protonated
589	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
590	CH₃CH₂NH₂	Ethylamine
591	Li₂O	dilithium oxide	¹Σ_g	D_∞h
592	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
593	Li₂S	dilithium sulfide	¹A₁	C_2v
594	Na₂O	disodium monoxide	¹Σ_g	Linear
595	Na₂O	disodium monoxide	¹A₁	C_2v
596	Na₂S	Sodium sulfide
597	Na₂S	Sodium sulfide
598	LiO₂	Lithium dioxide
599	NaO₂	Sodium superoxide
600	CCO	Dicarbon monoxide	³Σ	C_∞v
601	CCO	Dicarbon monoxide	¹Π	C_∞v
602	NCO	isocyanato radical	²Π	C_∞v
603	N₂O	Nitrous oxide	¹Σ	C_∞v
604	NNS	Nitrogen sulfide	¹Σ	C_∞v
605	CO₂	Carbon dioxide	¹Σ_g	D_∞h
606	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
607	OCS	Carbonyl sulfide	¹Σ	C_∞v
608	CS₂	Carbon disulfide	¹Σ_g	D_∞h
609	CS₂^-	Carbon disulfide anion	²A₁	C_2v
610	TiO₂	Titanium dioxide	¹A₁	C_2v
611	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
612	OCSe	Carbonyl selenide	¹Σ	C_∞v
613	SCSe	Carbon sulfide selenide
614	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
615	NO₂	Nitrogen dioxide	²A₁	C_2v
616	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
617	NSO	sulfinyl amidogen
618	SNO	Nitrogen oxide sulfide
619	O₃	Ozone	¹A₁	C_s
620	SO₂	Sulfur dioxide	¹A₁	C_2v
621	SSO	Disulfur monoxide	¹A^'	C_s
622	S₃	Sulfur trimer	¹A₁	C_2v
623	S₃	Sulfur trimer
624	S₃⁺	Sulfur trimer cation	²B₂	C_2v
625	SeO₂	Selenium dioxide	¹A₁	C_2v
626	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
627	HCCO	ketenyl radical	²Π	C_∞v
628	HCCO	ketenyl radical	²A^"	C_s
629	HCNO	fulminic acid	¹Σ	C_∞v
630	HCOO	formate neutral radical	²A^'	C_s
631	HOCO	Hydrocarboxyl radical	¹A^'	cis
632	HOCO	Hydrocarboxyl radical	¹A^'	trans
633	O₃H⁺	protonated ozone	¹A^'	C_s
634	O₃H⁺	protonated ozone
635	C₂H₂O	Oxirene	¹A₁	C_2v
636	CH₂CO	Ketene	¹A₁	C_2v
637	CH₂CS	Thioketene
638	Be(OH)₂	Beryllium hydroxide
639	H₂COO	Dioxymethyl radical	²A^'	C_s
640	H₂COO⁺	dioxymethyl cation	²A^'	C_s
641	HCOOH	Formic acid	¹A^'	C_s
642	HCOOH	Formic acid
643	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
644	BH₃CO	Borane carbonyl	¹A₁	C_3v
645	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
646	CH₂COH⁺	ketene, protonated
647	CHONH₂	formamide	¹A^'	Planar
648	CNOH₃	1,2-oxaziridine	¹A	C₁
649	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
650	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
651	NHCHSH	Methanimidothioic acid
652	C₂H₄O	Ethylene oxide	¹A₁	C_2v
653	C₂H₄O⁺	ethylene oxide cation
654	CH₃CHO	Acetaldehyde	¹A^'	C_s
655	CH₃CHO⁺	acetaldehyde cation
656	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
657	C₂H₄S	Thiirane	¹A₁	C_2v
658	CH₂CHSH	Ethenethiol
659	NH₂CHOH⁺	Formamide, O-protonated
660	CH₃SSH	Hydrogen methyl disulfide
661	HSCH₂SH	Methanedithiol
662	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
663	CH₃CH₂SH	ethanethiol	¹A^'	C_s
664	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
665	CH₃SCH₃⁺	dimethyl sulfide cation
666	CNF	iso cyanogen fluoride	¹Σ	C_∞v
667	BrCN	Cyanogen bromide	¹Σ	C_∞v
668	FBO	Boron monofluoride monoxide
669	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
670	BeBr₂	Beryllium bromide
671	FCO	Carbonyl fluoride	²A^'	C_s
672	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
673	ClCO	carbonyl monochloride	²A^'	C_s
674	BF₂	Boron difluoride radical	²A₁	C_2v
675	FNO	Nitrosyl fluoride	¹A^'	C_s
676	ClNO	Nitrosyl chloride	¹A^'	C_s
677	FNS	Thionitrosyl fluoride	¹A^'	C_s
678	FSN	Thiazyl fluoride	¹A^'	C_s
679	OPCl	Phosphorus oxychloride
680	CF₂	Difluoromethylene	¹A₁	D_∞h
681	CFCl	chlorofluoromethylene	¹A^'	C_s
682	SiF₂	Silicon difluoride	¹A₁	C_2v
683	GeF₂	Germanium difluoride	¹A₁	C_2v
684	GeCl₂	Germanium dichloride	¹A₁	C_2v
685	FOO⁺	Fluorine dioxide cation
686	OClO	Chlorine dioxide	²B₁	D_∞h
687	OClO^-	Chlorine dioxide anion	¹A^'	C_s
688	ClSO	Sulfur chloride oxide	²A^"	C_s
689	BrOO	Bromine dioxide
690	OBrO	Bromine dioxide radical	²B₁	C_2v
691	PF₂	Phosphorus difluoride
692	PF₂⁺	Phosphorus difluoride cation
693	FClO	chlorosyl fluoride	¹A^'	C_s
694	ClOF	Chlorine hypofluorite	¹A^'	C_s
695	SF₂	sulfur difluoride	¹A₁	C_2v
696	SF₂^-	sulfur difluoride anion	²Π	D_∞h
697	SCl₂	Sulfur dichloride	¹A₁	C_2v
698	SeF₂	Selenium difluoride
699	SeCl₂	Selenium Dichloride
700	SBr₂	Sulfur dibromide
701	SeBr₂	Selenium dibromide
702	Br₃^-	tribromide anion
703	SFCl	Sulfur chloride fluoride
704	HCCF	Fluoroacetylene	¹Σ	C_∞v
705	CHF₂	difluoromethyl radical	²A	C_s
706	CHF₂⁺	difluoromethyl cation
707	CHFCl	Chlorofluoromethyl radical
708	CHFCl⁺	Chlorofluoromethyl cation
709	CHCl₂⁺	dichloromethyl cation
710	NHF₂	difluoramine
711	NHCl₂	dichloroamine
712	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
713	SiH₂F₂	difluorosilane
714	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
715	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
716	CH₂Br₂	dibromomethane	¹A₁	C_2v
717	CH₃MgBr	Methyl Magnesium Bromide
718	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
719	CH₂FOH	fluoromethanol
720	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
721	C₄	Carbon tetramer	³Σ_g	D_∞h
722	C₄	Carbon tetramer
723	C₄H₄	Tetrahedrane
724	C₄H₆	1-Methylcyclopropene	¹A	C₁
725	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
726	Li₃N	trilithium nitride	¹A^'	D_3h
727	C₂N₂	Cyanogen	¹Σ_g	D_∞h
728	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
729	H₂CNCN	cyanamide, methylene
730	HNCCNH	Ethenediimine
731	C₃O	Tricarbon monoxide	¹Σ	C_∞v
732	ONNO	NO dimer	¹A_g	trans C2H
733	ONNO	NO dimer	¹A₁	cis C2V
734	S₂N₂	Disulfur dinitride	¹A_G	D_2h
735	NO₃^-	nitrate anion	¹A₁^'	D_3h
736	SO₃	Sulfur trioxide	¹A₁^'	D_3h
737	SO₃^--	Sulfate dianion
738	S₄	Sulfur tetramer
739	S₄	Sulfur tetramer
740	S₄	Sulfur tetramer
741	HNO₃	Nitric acid	¹A^'	C_s
742	C₃H₂O	Propadienal
743	C₃H₂O	Propadienal
744	C₂H₂O₂	Ethanedial	¹A_g	C_2h
745	CH₃NO₂	Methane, nitro-	¹A^'	C_s
746	H₃AlO₃	Aluminum hydroxide
747	CH₂CHCHO	Acrolein	¹A^'	C_s
748	CH₂CHCHO	Acrolein
749	CH₃COCH₂	Acetonyl radical	²A^"	C_s
750	CH₃CH₂CHO	Propanal	¹A^'	C_s
751	Li₂F₂	Lithium fluoride dimer
752	CF₂O	Carbonic difluoride	¹A₁	C_2v
753	CF₂O⁺	Carbonic difluoride cation
754	Cl₂CS	Thiophosgene	¹A₁	C_2v
755	BF₃	Borane, trifluoro-	¹A^'	D_3h
756	BF₃⁺	boron trifluoride cation
757	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
758	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
759	BCl₃⁺	Boron Trichloride cation
760	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
761	CF₂Cl	difluorochloromethyl radical
762	CFCl₂	dichlorofluoromethyl radical
763	ClO₂F	Chloryl fluoride	¹A^'	C_s
764	SSCl₂	Thiothionyl chloride
765	NF₃	Nitrogen trifluoride	¹A₁	C_3v
766	HClO₃	Chloric Acid	¹A	C₁
767	CHF₃	Methane, trifluoro-	¹A₁	C_3v
768	SiHF₃	trifluorosilane
769	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
770	AsF₃H⁺	Arsenic trifluoride, protonated
771	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
772	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
773	CH₂CHCH₂F	Allyl Fluoride
774	CH₂CHCH₂F	Allyl Fluoride
775	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
776	C₅H₈	Bicyclo[1.1.1]pentane
777	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
778	B₂O₃	diboron trioxide
779	B₂O₃	diboron trioxide
780	C₃H₃NO	Isoxazole	¹A^'	C_s
781	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
782	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
783	CHCl₂CCH	3,3-dichloropropyne
784	C₃H₂O₃	vinylene carbonate
785	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
786	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
787	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
788	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	Na^-	Sodium atom anion	na-
11	K	Potassium atom	k
12	K^-	Potassium atom anion	k-
13	K⁺	Potassium atom cation	k+
14	Cu	Copper atom	cu
15	Cu^-	Copper atom anion	cu-
16	Cu⁺	Copper atom cation	cu+
17	LiH^-	lithium hydride anion	lih-
18	NaH^-	sodium hydride anion	nah-
19	KH	Potassium hydride	kh
20	KH⁺	Potassium hydrogen cation	kh+
21	CuH	Copper monohydride	cuh
22	Be^-	Beryllium atom anion	be-
23	Mg^-	Magnesium atom anion	mg-
24	Ca	Calcium atom	ca
25	Ca^-	Calcium atom anion	ca-
26	Ca⁺	Calcium atom cation	ca+
27	Zn	Zinc atom	zn
28	Zn^-	Zinc atom anion	zn-
29	Zn⁺	Zinc atom cation	zn+
30	BeH^-	berylium monohydride anion	beh-
31	BeH⁺	beryllium monohydride cation	beh+
32	MgH^-	magnesium monohydride anion	mgh-
33	MgH⁺	magnesium monohydride cation	mgh+
34	CaH	Calcium monohydride	cah
35	CaH⁺	Calcium monohydride cation	cah+
36	ZnH	Zinc monohydride	znh
37	CaH₂	Calcium Hydride	cah2
38	ZnH₂	Zinc hydride	znh2
39	B^-	Boron atom anion	b-
40	BH^-	boron monohydride anion	bh-
41	BH⁺	boron monohydride cation	bh+
42	AlH	aluminum monohydride	alh
43	AlH^-	aluminum monohydride anion	alh-
44	AlH⁺	aluminum monohydride cation	alh+
45	ScH⁺	Scandium monohydride cation	sch+
46	BH₂	boron dihydride	bh2
47	AlH₂	aluminum dihydride	alh2
48	AlH₂^-	aluminum dihydride anion	alh2-
49	AlH₂⁺	aluminum dihydride cation	alh2+
50	BH₃^-	boron trihydride anion	bh3-
51	AlH₃⁺	aluminum trihydride cation	alh3+
52	AlH₄^-	Aluminum tetrahydride anion	alh4-
53	C^-	Carbon atom anion	c-
54	Ti	Titanium atom	ti
55	Ti^-	Titanium atom anion	ti-
56	Ti⁺	Titanium atom cation	ti+
57	Sn	Tin atom	sn
58	Sn⁺	Tin cation	sn+
59	CH^-	methylidyne anion	ch-
60	CH⁺	Methylidyne cation	ch+
61	SiH₂^-	silicon dihydride anion	sih2-
62	SiH₂⁺	silicon dihydride cation	sih2+
63	SiH₃^-	Silyl anion	sih3-
64	CH₄^-	Methane anion	ch4-
65	CH₄⁺	Methane cation	ch4+
66	SiH₄⁺	Silane cation	sih4+
67	SnH₄	Stannane	snh4
68	N^-	Nitrogen atom anion	n-
69	P^-	Phosphorus atom anion	p-
70	P⁺	Phosphorus atom cation	p+
71	Sb	Antimony atom	sb
72	NH	Imidogen	nh
73	NH^-	Imidogen anion	nh-
74	NH⁺	imidogen cation	nh+
75	PH^-	phosphorus monohydride anion	ph-
76	PH⁺	phosphorus monohydride cation	ph+
77	SbH	Antimony monohydride	sbh
78	ND₂	Amidogen-d2	nd2
79	NH₂^-	amino anion	nh2-
80	PH₂	Phosphino radical	ph2
81	PH₂^-	Phosphino anion	ph2-
82	PH₂⁺	Phosphino cation	ph2+
83	AsH₂	Arsenic dihydride	ash2
84	ND₃	Ammonia-d3	nd3
85	AsH₃	Arsine	ash3
86	SbH₃	Stibine	sbh3
87	O^-	Oxygen atom anion	o-
88	Cr	Chromium atom	cr
89	Te	Tellurium atom	te
90	Te⁺	Tellurium atom cation	te+
91	DO	Hydroxyl-d	od
92	DS	Mercapto-d	ds
93	CrH	Chromium hydride	crh
94	TeH	Telluryl radical	teh
95	D₂O	Deuterium oxide	d2o
96	D₂S	Hydrogen sulfide-d2	d2s
97	H₂Te	Hydrogen Telluride	h2te
98	Mn	Manganese atom	mn
99	I	Iodine atom	iodine
100	I^-	Iodine atom anion	iodine-
101	I⁺	Iodine atom cation	iodine+
102	DF	Hydrofluoric acid-d	df
103	DCl	Hydrochloric acid-d	dcl
104	HI	Hydrogen iodide	hi
105	HI⁺	Hydrogen iodide cation	hi+
106	H₂F⁺	dihydrogen fluoride cation	h2f+
107	H₂I⁺	Iodonium	h2i+
108	Ne^-	Neon atom anion	ne-
109	Ar^-	Argon atom anion	ar-
110	Ar⁺	Argon atom cation	ar+
111	Fe	Iron atom	fe
112	Xe	Xenon atom	xe
113	NeH⁺	neon hydrogen cation	neh+
114	XeH⁺	Xenon, protonated	xeh+
115	Co	Cobalt atom	cobalt
116	Ni	Nickel atom	ni
117	Li₂^-	lithium diatomic anion	li2-
118	Li₂⁺	lithium diatomic cation	li2+
119	NaLi^-	lithium sodium anion	lina-
120	NaLi⁺	lithium sodium cation	lina+
121	LiK	Lithium Potassium	lik
122	NaK	Sodium Potassium	nak
123	NaK⁺	Sodium Potassium diatomic cation	nak+
124	K₂	Potassium diatomic	k2
125	Cu₂	Copper diatomic	cu2
126	LiBe	Lithium Beryllium	libe
127	LiMg	Lithium magnesium	limg
128	NaBe	Sodium Beryllium	nabe
129	NaMg	Sodium Magnesium	namg
130	Be₂^-	Beryllium diatomic anion	be2-
131	Be₂⁺	Beryllium diatomic cation	be2+
132	Mg₂^-	magnesium diatomic anion	mg2-
133	Mg₂⁺	magnesium diatomic cation	mg2+
134	Ca₂	Calcium diatomic	ca2
135	B₂^-	Boron diatomic anion	b2-
136	Al₂	Aluminum diatomic	al2
137	Al₂^-	aluminum diatomic anion	al2-
138	Al₂⁺	aluminum diatomic cation	al2+
139	Ga₂H₆	digallane	ga2h6
140	CaC	Calcium monocarbide	cac
141	BC^-	boron monocarbide anion	bc-
142	BC⁺	boron monocarbide cation	bc+
143	C₂^-	carbon diatomic anion	c2-
144	SiC^-	silicon monocarbide anion	sic-
145	SiC⁺	silicon monocarbide cation	sic+
146	Si₂	Silicon diatomic	si2
147	Si₂^-	silcon diatomic anion	si2-
148	Si₂⁺	silcon diatomic cation	si2+
149	Ge₂	Germanium diatomic	ge2
150	C₂H⁺	Ethynyl cation	c2h+
151	ZnCH₂	Zinc methylene	znch2
152	CCH₂	vinylidene	vinylidene
153	CuCH₃	monomethyl copper	cuch3
154	ZnCH₃	Zinc monomethyl	znch3
155	C₂H₄	Ethylene	c2h4
156	C₂H₄^-	Ethylene anion	c2h4-
157	CH₃CH	methylmethylene	ch3ch
158	CH₂SiH₂	silaethylene	ch2sih2
159	C₂H₅⁺	Ethyl cation	c2h5+
160	C₂H₆⁺	ethane cation	c2h6+
161	CH₃SiH₃	methyl silane	ch3sih3
162	GeH₃CH₃	methyl germane	geh3ch3
163	C₂H₇⁺	Ethane, protonated	c2h7+
164	LiN⁺	Lithium Nitride cation	lin+
165	BeN^-	Beryllium mononitride anion	ben-
166	BN^-	boron nitride anion	bn-
167	AlN^-	aluminum mononitride anion	aln-
168	AlN⁺	aluminum mononitride cation	aln+
169	BN⁺	boron nitride cation	bn+
170	AlN	Aluminum nitride	aln
171	CN⁺	Cyano cation	cn+
172	CP	Carbon monophosphide	cp
173	CP^-	carbon monophosphide anion	cp-
174	CP⁺	carbon monophosphide cation	cp+
175	SiN	Silicon nitride	sin
176	SiN^-	silicon mononitride anion	sin-
177	SiN⁺	silicon mononitride cation	sin+
178	SiP^-	Silicon monophosphide anion	sip-
179	SiP⁺	Silicon monophosphide cation	sip+
180	TiN	Titanium mononitride	tin
181	PN^-	phosphorus nitride anion	pn-
182	PN⁺	phosphorus nitride cation	pn+
183	P₂^-	phosphorus diatomic anion	p2-
184	P₂⁺	phosphorus diatomic cation	p2+
185	SbN	Antimony nitride	sbn
186	As₂	Arsenic diatomic	as2
187	HNB	hydrogen nitrogen boron	hnb
188	HNC	hydrogen isocyanide	hnc
189	HCN^-	Hydrogen cyanide anion	hcn-
190	HCP	Phosphaethyne	hcp
191	NNH	Dinitrogen monohydride	nnh
192	HPO	Hydrogen phosphorus oxide	hpo
193	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
194	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
195	H₂CN⁺	hydrocyanonium cation	h2cn+
196	HCNH⁺	N-protonated HCN	hcnh+
197	CH₂PH	Phosphaethene	ch3p
198	N₂H₄⁺	hydrazine cation	n2h4+
199	P₂H₄	Diphosphine	p2h4
200	CH₃NH₂⁺	methyl amine cation	ch3nh2+
201	CH₃PH₂	Methyl phosphine	ch3ph2
202	CH₃NH₃⁺	protonated methylamine	ch3nh3+
203	LiO^-	lithium oxide anion	lio-
204	LiO⁺	lithium oxide cation	lio+
205	NaO^-	sodium oxide anion	nao-
206	NaO⁺	sodium oxide cation	nao+
207	KO	Potassium monoxide	ko
208	KO⁺	Potassium monoxide cation	ko+
209	CuO	Copper Monoxide	cuo
210	BeO^-	Beryllium monoxide anion	beo-
211	BeS	beryllium sulfide	bes
212	MgO	magnesium oxide	mgo
213	MgO^-	magnesium oxide anion	mgo-
214	MgO⁺	magnesium oxide cation	mgo+
215	CaO	Calcium monoxide	cao
216	MgS	magnesium sulfide	mgs
217	MgS^-	magnesium sulfide anion	mgs-
218	MgS⁺	magnesium sulfide cation	mgs+
219	CaS	Calcium sulfide	cas
220	ZnO	zinc monoxide	zno
221	ZnS	Zinc sulfide	zns
222	BeS^-	Beryllium monosulfide anion	bes-
223	BeS⁺	Beryllium monosulfide cation	bes+
224	BO^-	boron monoxide anion	bo-
225	AlO	Aluminum monoxide	alo
226	AlO^-	Aluminum monoxide anion	alo-
227	AlO⁺	aluminum monoxide cation	alo+
228	BS	boron sulfide	bs
229	BS^-	boron monosulfide anion	bs-
230	BS⁺	boron monosulfide cation	bs+
231	AlS	Aluminum sulfide	als
232	AlS^-	aluminum monosulfide anion	als-
233	AlS⁺	aluminum monosulfide cation	als+
234	BO⁺	boron monoxide cation	bo+
235	CS	carbon monosulfide	cs
236	CS^-	carbon monosulfide anion	cs-
237	CS⁺	carbon monosulfide cation	cs+
238	SiO^-	silicon monoxide anion	sio-
239	SiO⁺	silicon monoxide cation	sio+
240	SiS^-	silicon monosulfide anion	sis-
241	SiS⁺	silicon monosulfide cation	sis+
242	CSe^-	Carbon monoselenide anion	cse-
243	CSe⁺	Carbon monoselenide cation	cse+
244	NS⁺	nitrogen sulfide cation	ns+
245	PO^-	phosphorus monoxide anion	po-
246	PO⁺	phosphorus monoxide cation	po+
247	PS^-	phosphorus monosulfide anion	ps-
248	PS⁺	phosphorus monosulfide cation	ps+
249	AsO	Arsenic monoxide	aso
250	SO^-	sulfur monoxide anion	so-
251	S₂^-	sulfur diatomic anion	s2-
252	S₂⁺	sulfur diatomic cation	s2+
253	SeO^-	selenium monoxide anion	seo-
254	SeO⁺	selenium monoxide cation	seo+
255	SeS	Selenium monosulfide	ses
256	SeS^-	selenium monosulfide anion	ses-
257	SeS⁺	selenium monosulfide cation	ses+
258	TeO	Tellurium monoxide	teo
259	Se₂^-	selenium diatomic anion	se2-
260	Se₂⁺	selenium diatomic cation	se2+
261	Te₂	Tellurium diatomic	te2
262	NaOH	sodium hydroxide	naoh
263	KOH	Potassium hydroxide	koh
264	MgOH	magnesium hydroxide	mgoh
265	CaOH	Calcium monohydroxide	caoh
266	HCS	Thioformyl radical	hcs
267	HCS^-	Thioformyl anion	hcs-
268	HCS⁺	Thioformyl cation	hcs+
269	HNO^-	Nitrosyl hydride anion	hno-
270	HNS	Sulfur imide	hns
271	HNS^-	Sulfur imide anion	hns-
272	HO₂^-	Hydroperoxy anion	ho2-
273	CH₂OH	Hydroxymethyl radical	ch2oh
274	CH₃O	Methoxy radical	ch3o
275	CH₃S	thiomethoxy	ch3s
276	H₃PO	Phosphine oxide	h3po
277	NH₂SH	Thiohydroxylamine	nh2sh
278	NH₃S	sulfidoazane	nh3s
279	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
280	CH₃SH⁺	Methanethiol cation	ch3sh+
281	CH₃SeH	Methane selenol	ch3seh
282	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
283	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
284	H₂ONH₃	Water Ammonia Dimer	h2onh3
285	LiCl^-	lithium chloride anion	licl-
286	LiCl⁺	lithium chloride cation	licl+
287	NaF^-	sodium fluoride anion	naf-
288	KF	Potassium Fluoride	kf
289	NaCl^-	sodium chloride anion	nacl-
290	NaCl⁺	sodium chloride cation	nacl+
291	KCl	Potassium Chloride	kcl
292	CuF	Copper monofluoride	cuf
293	LiBr^-	lithium bromide anion	libr-
294	LiBr⁺	lithium bromide cation	libr+
295	CuCl	Copper monochloride	cucl
296	NaBr	Sodium Bromide	nabr
297	NaBr^-	sodium bromide anion	nabr-
298	NaBr⁺	sodium bromide cation	nabr+
299	KBr	Potassium Bromide	kbr
300	LiI	Lithium Iodide	lii
301	NaI	Sodium Iodide	nai
302	KI	Potassium Iodide	ki
303	LiF^-	lithium fluoride anion	lif-
304	BeF	Beryllium monofluoride	bef
305	BeF⁺	Beryllium monofluoride cation	bef+
306	BeCl	beryllium monochloride	becl
307	MgF	Magnesium monofluoride	mgf
308	MgF^-	magnesium fluoride anion	mgf-
309	CaF	Calcium monofluoride	caf
310	MgCl	magnesium monochloride	mgcl
311	MgCl^-	magnesium monochloride anion	mgcl-
312	MgCl⁺	magnesium monochloride cation	mgcl+
313	CaCl	calcium monochloride	cacl
314	TiCl	Titanium Monochloride	ticl
315	ZnF^-	Zinc monofluoride anion	znf-
316	ZnF⁺	Zinc monofluoride cation	znf+
317	ZnCl	Zinc monochloride	zncl
318	CaBr	Calcium monobromide	cabr
319	BeCl^-	beryllium monochloride anion	becl-
320	BeCl⁺	beryllium monochloride cation	becl+
321	BF^-	Boron monofluoride anion	bf-
322	BF⁺	Boron monofluoride cation	bf+
323	AlF^-	Aluminum monofluoride anion	alf-
324	AlF⁺	Aluminum monofluoride cation	alf+
325	BCl	boron monochloride	bcl
326	BCl^-	boron monochloride anion	bcl-
327	BCl⁺	boron monochloride cation	bcl+
328	AlCl^-	aluminum monochloride anion	alcl-
329	AlCl⁺	aluminum monochloride cation	alcl+
330	AlI	Aluminum monoiodide	ali
331	CF^-	carbon monofluoride anion	cf-
332	CF⁺	carbon monofluoride cation	cf+
333	CCl	carbon monochloride	ccl
334	CCl^-	carbon monochloride anion	ccl-
335	CCl⁺	carbon monochloride cation	ccl+
336	SiCl^-	silicon monochloride anion	sicl-
337	SiCl⁺	silicon monochloride cation	sicl+
338	NF	nitrogen fluoride	nf
339	NF^-	nitrogen monofluorine anion	nf-
340	NF⁺	nitrogen monofluoirde cation	nf+
341	NCl^-	nitrogen monochloride anion	ncl-
342	NCl⁺	nitrogen monochloride cation	ncl+
343	PF	phosphorus monofluoride	pf
344	PF^-	phosphorus monofluoride anion	pf-
345	PF⁺	phosphorus monofluoride cation	pf+
346	PCl	phosphorus chloride	pcl
347	PCl^-	phosphorus monochloride anion	pcl-
348	PCl⁺	phosphorus monochloride cation	pcl+
349	SbF	Antimony monofluoride	sbf
350	SbCl	Antimony monochloride	sbcl
351	FO^-	flourine oxide anion	fo-
352	FO⁺	fluorine monoxide cation	fo+
353	ClO^-	chlorine monoxide anion	clo-
354	SF^-	sulfur monofluoride anion	sf-
355	SCl^-	sulfur monochloride anion	scl-
356	IO	Iodine monoxide	io
357	ClF^-	clorine monofluoride anion	clf-
358	BrF^-	bromine fluoride anion	brf-
359	BrF⁺	bromine fluoride cation	brf+
360	BrCl^-	bromine chloride anion	brcl-
361	BrCl⁺	bromine chloride cation	brcl+
362	IF	Iodine monofluoride	if
363	ICl	Iodine monochloride	icl
364	IBr	Iodine monobromide	ibr
365	I₂	Iodine diatomic	i2
366	I₂⁺	Iodine diatomic cation	i2+
367	CHBr	bromomethylene	chbr
368	DOCl	Hypochlorous acid-d	docl
369	HOI	Hypoiodous acid	hoi
370	FHF	Hydrogen difluoride	fhf
371	FHF^-	Hydrogen difluoride anion	fhf-
372	NH₂F	monofluoroamine	nh2f
373	H₂F₂	Hydrogen fluoride dimer	h2f2
374	CH₃Cl⁺	Methyl chloride cation	ch3cl+
375	SiH₃Br	bromosilane	sih3br
376	CH₃I	methyl iodide	ch3i
377	SiH₃I	Silyl Iodide	sih3i
378	Ne₂	Neon diatomic	ne2
379	C₃⁺	carbon trimer cation	c3+
380	C₃H₃	cyclopropenyl radical	cpr
381	C₃H₃	Propargyl radical	propargyl
382	C₃H₃^-	Propargyl anion	c3h3-
383	C₃H₃⁺	cyclopropenyl cation	cpr+
384	C₃H₃⁺	Propargyl cation	c3h3+
385	C₃H₅	Allyl radical	allyl
386	C₃H₅⁺	Allyl cation	allyl+
387	CH₃CHCH	1-propenyl radical	ch3chch
388	Zn(CH₃)₂	dimethyl zinc	dmz
389	C₃H₆	Cyclopropane	c3h6
390	C₃H₇⁺	cyclopropane, protonated	c3h7+
391	CH₃CHCH₃	Isopropyl radical	isopropyl
392	C₃H₈	Propane	propane
393	SiH₂(CH₃)₂	dimethylsilane	dms
394	KCN	Potassium cyanide	kcn
395	CuCN	Copper cyanide	cucn
396	N₃^-	azide anion	n3-
397	HCCN	cyanomethylene	hccn
398	HCNN	diazomethyl radical	hcnn
399	CH₂N₂	diazirine	ch2n2
400	CH₂NN	diazomethane	ch2nn
401	NH₂CN	cyanamide	cyanamide
402	CH₃CN^-	acetonitrile anion	ch3cn-
403	CH₃CN⁺	Acetonitrile cation	ch3cn+
404	CH₃NC	methyl isocyanide	ch3nc
405	CHNCH₂	2H-Azirine	c157164
406	CHNHCH	1H-Azirine	chnhch
407	H₂CCNH	Ethenimine	ch2cnh
408	H₂CNCH	methyleneaminomethylene	ch2nch
409	HCCNH₂	Ethynamine	hccnh2
410	NCNH₃⁺	Cyanamide, protonated	ncnh3+
411	CH₂CHNH	vinylazine	ch2chnh
412	CH₃CHN	methylmethaniminyl radical	ch3chn
413	NHCHNH₂	aminomethanimine	cn2h4
414	C₂H₅N	Aziridine	c2h5n
415	CH₂CHNH₂	aminoethene	aminoethene
416	CH₂NCH₃	N-methylmethanimine	nmm
417	CH₃CHNH	ethanimine	ethanimine
418	NH₂BHNH₂	diaminoborane	nh2bhnh2
419	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
420	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
421	CH₃NHCH₃	Dimethylamine	ch3nhch3
422	CH₃PHCH₃	dimethylphosphine	ch3phch3
423	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
424	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
425	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
426	Li₂O⁺	dilithium oxide cation	li2o+
427	CNO^-	fulminate	cno-
428	NCO^-	cyanate	nco-
429	SCN	thiocyanato radical	scn
430	SCN^-	thiocyanide anion	scn-
431	BO₂	Boron dioxide	bo2
432	BO₂^-	Boron dioxide anion	bo2-
433	BO₂⁺	Boron dioxide cation	bo2+
434	N₂O^-	Nitrous oxide anion	n2o-
435	N₂O⁺	Nitrous oxide cation	n2o+
436	PPO	Phosphorus oxide phosphide	ppo
437	CO₂^-	Carbon dioxide anion	co2-
438	OCS⁺	Carbonyl sulfide cation	cos+
439	SiO₂	silicon dioxide	sio2
440	CS₂⁺	Carbon disulfide cation	cs2+
441	SiS₂	Silicon disulfide	sis2
442	CSe₂	Carbon diselenide	cse2
443	SCTe	Carbon sulfide Telluride	scte
444	NO₂^-	Nitrogen dioxide anion	no2-
445	PO₂	Phosphorus dioxide	po2
446	PO₂^-	Phosphorus dioxide anion	po2-
447	PO₂⁺	Phosphorus dioxide cation	po2+
448	AsO₂	Aresenic dioxide	aso2
449	O₃^-	Ozone anion	o3-
450	O₃⁺	Ozone cation	o3+
451	SO₂^-	Sulfur dioxide anion	so2-
452	SO₂⁺	Sulfur dioxide cation	so2+
453	S₃^-	Sulfur trimer anion	s3-
454	TeO₂	Tellurium Dioxide	teo2
455	CS₂H⁺	Carbon disulfide, protonated	cs2h+
456	HNCO	Isocyanic acid	hnco
457	HOCN	cyanic acid	hocn
458	HNCS	Isothiocyanic acid	hncs
459	HSCN	thiocyanic acid	hscn
460	HCO₂^-	formate anion	hco2-
461	HNNO	nitrosoazane	hnno
462	HNNO⁺	Nitrous oxide, N-protonated	hnno+
463	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
464	HOCO⁺	Hydrocarboxyl cation	hoco+
465	HNO₂	Nitrous acid	hno2
466	HNO₂⁺	nitrous acid cation	hno2+
467	SO₂H⁺	protonated sulfur dioxide	so2h+
468	CH₂CO⁺	Ketene cation	ch2co+
469	HCCOH	ethynol	hccoh
470	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
471	NH₂NO	Nitrosamide	nh2no
472	CH₂O₂	Dioxirane	diox
473	H₂O₃	Hydrogen trioxide	h2o3
474	HSSSH	trisulfane	hsssh
475	NaOCH₃	Sodium methoxide	naoch3
476	CH₂CHO	Vinyloxy radical	ch2cho
477	CH₃CO	Acetyl radical	ch3co
478	CH₃CO^-	Acetyl anion	ch3co-
479	CH₃CO⁺	acetyl cation	ch3co+
480	CH₂NOH	formaldoxime	ch2noh
481	CH₃NO	nitrosomethane	ch3no
482	CHSNH₂	thioformamide	chsnh2
483	CH₂OOH	CH2OOH radical	ch2ooh
484	CH₃OO	methylperoxy radical	ch3oo
485	CH₃OO^-	methylperoxy anion	ch3oo-
486	CH₃OO⁺	methylperoxy cation	ch3oo+
487	CH₂CHOH	ethenol	ch2choh
488	CH₃CHS	Thioacetaldehyde	ch3chs
489	H₂CONH₂⁺	protonated formamide	h2conh2+
490	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
491	CH₂(OH)₂	methanediol	ch2o2h2
492	CH₃OOH	Methyl peroxide	ch3ooh
493	H₂OH₂CO	water formaldehyde dimer	h2oh2co
494	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
495	CH₃CH₂O	Ethoxy radical	ethoxy
496	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
497	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
498	CH₃OCH₂	methoxymethyl radical	ch3och2
499	NH₂CH₂OH	aminomethanol	nh2ch2oh
500	CH₃CH₂OH	Ethanol	etoh
501	CH₃OCH₃	Dimethyl ether	meome
502	CH₃SeCH₃	dimethylselenide	dmse
503	CH₃OHH₂O	methanol water dimer	ch3ohh2o
504	H₂OCH₃OH	water methanol dimer	h2och3oh
505	CuF₂	Copper difluoride	cuf2
506	ZnF₂	Zinc difluoride	znf2
507	FCN	Cyanogen fluoride	fcn
508	ClCN	chlorocyanogen	clcn
509	ICN	Cyanogen iodide	icn
510	BeF₂	Beryllium fluoride	bef2
511	BeCl₂	Beryllium chloride	becl2
512	MgCl₂	Magnesium dichloride	mgcl2
513	CaCl₂	Calcium Chloride	cacl2
514	ZnCl₂	Zinc dichloride	zncl2
515	CaBr₂	Calcium dibromide	cabr2
516	CaF₂	Calcium difluoride	caf2
517	BrNO	Nitrosyl bromide	brno
518	INO	Nitrosyl iodide	ino
519	CF₂^-	Difluoromethylene anion	cf2-
520	CF₂⁺	Difluoromethylene cation	cf2+
521	SiF₂⁺	Silicon difluoride cation	sif2+
522	CCl₂	dichloromethylene	ccl2
523	CCl₂^-	dichloromethylene anion	ccl2-
524	CCl₂⁺	dichloromethylene cation	ccl2+
525	SiCl₂	Dichlorosilylene	sicl2
526	CBr₂	dibromomethylene	cbr2
527	FOO	Dioxygen monofluoride radical	foo
528	ClOO	chloroperoxy radical	cloo
529	ClOO⁺	chloroperoxy cation	cloo+
530	OClO⁺	Chlorine dioxide cation	oclo+
531	ClS₂	Sulfur chloride	cls2
532	NF₂	Difluoroamino radical	nf2
533	NF₂⁺	Difluoroamino cation	nf2+
534	F₂O	Difluorine monoxide	f2o
535	SF₂⁺	sulfur difluoride cation	sf2+
536	Cl₂O	Dichlorine monoxide	cl2o
537	BrOCl	Bromine hypochlorite	brocl
538	BrOBr	Bromine oxide	brobr
539	F₃^-	trifluoride anion	f3-
540	Cl₃^-	trichloride anion	cl3-
541	I₃^-	triiodide	i3-
542	HCCF⁺	fluoroacetylene cation	hccf+
543	HCCCl	Chloroacetylene	hcccl
544	HCCBr	bromoacetylene	hccbr
545	HFCO	formyl fluoride	hfco
546	HFCO⁺	formyl fluoride cation	hfco+
547	COHCl	Formyl chloride	cohcl
548	COHBr	Formyl bromide	cohbr
549	BHF₂	Difluoroborane	bhf2
550	BHCl₂	Borane, dichloro-	bhcl2
551	CHCl₂	dichloromethyl radical	chcl2
552	CHBr₂	dibromomethyl radical	chbr2
553	HOClO	Chlorous acid	hoclo
554	CH₂FCl	fluorochloromethane	ch2fcl
555	CH₂BrF	Methane, bromofluoro-	ch2fbr
556	CH₂FI	fluoroiodomethane	ch2fi
557	CH₂ClI	chloroiodomethane	ch2cli
558	CH₂BrI	bromoiodomethane	ch2bri
559	CH₂I₂	Diiodomethane	ch2i2
560	SiH₂Cl₂	dichlorosilane	sih2cl2
561	CH₂CHF⁺	fluoroethene cation	ch2chf+
562	C₂H₃Cl	Ethene, chloro-	ch2chcl
563	C₂H₃Br	vinyl bromide	c2h3br
564	C₂H₃I	Vinyl iodide	c2h3i
565	CH₃OCl	methyl hypochlorite	ch3ocl
566	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
567	CHClCH₃	1-chloroethyl radical	chclch3
568	C₂H₅F	fluoroethane	c2h5f
569	CH₃CH₂Cl	Ethyl chloride	c2h5cl
570	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
571	C₂H₅Br	Ethyl bromide	etbr
572	C₂H₅I	Ethyl iodide	c2h5i
573	XeF₂	Xenon difluoride	xef2
574	B₄H₁₀	Tetraborane(10)	b4h10
575	C₄⁺	Carbon tetramer cation	c4+
576	C₄H₂	Diacetylene	c4h2
577	C₄H₂⁺	diacetlyene cation	c4h2+
578	C₂H₃CCH	1-Buten-3-yne	c2h3cch
579	C₄H₄	cyclobutadiene	cbd
580	H₂CCCCH₂	Butatriene	h2cccch2
581	C₄H₆	Cyclobutene	c822355
582	C₄H₆	Methylenecyclopropane	c6142730
583	CH₂CCHCH₃	1,2-Butadiene	butad12
584	CH₂CHCHCH₂	1,3-Butadiene	c106990
585	CH₃CCCH₃	2-Butyne	c503173
586	CHCCH₂CH₃	1-Butyne	c107006
587	CH₃CHCHCH₂	methylallyl radical	c4h7
588	C₄H₈	methylcyclopropane	mcp
589	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
590	CH₂CHCH₂CH₃	1-Butene	bute1
591	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
592	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
593	B(CH₃)₃	trimethylborane	bme3
594	Al(CH₃)₃	trimethyl aluminum	tma
595	C(CH₃)₃	Tert-butyl radical	tbutyl
596	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
597	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
598	CH₃CH(CH₃)CH₃	Isobutane	isobutane
599	SiH(CH₃)₃	trimethylsilane	trimsi
600	C₂N₂⁺	Cyanogen cation	c2n2+
601	P₄	Phosphorus tetramer	p4
602	As₄	Arsenic tetramer	as4
603	HCCCN	Cyanoacetylene	hcccn
604	C₃H₃N	acrylonitrile	ch2chcn
605	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
606	CH₃N₃	methyl azide	ch3n3
607	NH₂CCNH₂	Diaminoacetylene	daa
608	NH₂CH₂CN	Aminoacetonitrile	aan
609	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
610	C₂H₅CN	ethyl cyanide	c2h5cn
611	CH₅N₃	Guanidine	guanidine
612	C₄H₆	Bicyclo[1.1.0]butane	c157335
613	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
614	H₂NCHCHNH₂	diaminoethylene	dae
615	CH₆N₃⁺	guanidinium	ch6n3+
616	C₃H₇N	Cyclopropylamine	cpram
617	CH₇N₃	triaminomethane	tam
618	C₃H₇N	Azetidine	azet
619	C₄H₈	cyclobutane	cbutane
620	C₂H₈N₂	Ethylenediamine	ethdiam
621	CH₃NHNHCH₃	dimethyl hydrazine	dmh
622	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
623	N(CH₃)₃	Trimethylamine	trimeam
624	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
625	P(CH₃)₃	trimethylphosphine	tmp
626	N(SiH₃)₃	trisilylamine	tsa
627	As(CH₃)₃	trimethyl arsine	tmas
628	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
629	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
630	Li₂O₂	dilithium dioxide	li2o2
631	Na₂O₂	disodium dioxide	na2o2
632	K₂O₂	dipotassium dioxide	k2o2
633	B₂O₂	Diboron dioxide	b2o2
634	CO₃	Carbon trioxide	co3
635	CO₃^--	carbonate	co3--
636	CS₃^--	Carbonotrithioate	cs3--
637	NO₃	Nitrogen trioxide	no3
638	NO₃⁺	nitrogen trioxide cation	no3+
639	SO₃^-	Sulfur trioxide anion	so3-
640	SO₃⁺	Sulfur trioxide cation	so3+
641	SeO₃	selenium trioxide	seo3
642	TeO₃	Tellurium trioxide	teo3
643	HCO₃^-	bicarbonate anion	hco3-
644	HSO₃	Hydroxysulfonyl radical	hso3
645	NH₂NO₂	nitramide	nh2no2
646	C₂H₂CO	cyclopropenone	c2h2co
647	HCCCHO	2-propynal	hcccho
648	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
649	H₂CO₃	Carbonic acid	h2co3
650	H₂CS₃	thiocarbonic acid	h2cs3
651	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
652	H₂SO₃	Sulfurous acid	h2so3
653	C₂H₃NO	Nitrosoethylene	c2h3no
654	CH₃NCO	methylisocyante	ch3nco
655	HOCH₂CN	cyanomethanol	hoch2cn
656	CH₃COO^-	acetate anion	ch3coo-
657	CH₃NO₂	Methane, nitro-	ch3no2
658	CH₃ONO	Methyl nitrite	ch3ono
659	NH₂COOH	Carbamic acid	nh2cooh
660	H₃BO₃	Boric acid	h3bo3
661	H₃CO₃⁺	carbonic acid, protonated	h3co3+
662	C₃H₄O	2-Propyn-1-ol	c107197
663	C₃H₄O	allenol	c9000071
664	C₃H₄O	Cyclopropanone	cpone
665	C₃H₄O	Methylketene	c6004440
666	NH₂CONH₂	Urea	urea
667	NH₂CONH₂⁺	Urea cation	urea+
668	NH₂CSNH₂	Thiourea	thiourea
669	C₂H₄O₂	1,3-dioxetane	c2h4o2
670	CH₃COOH	Acetic acid	ch3cooh
671	CH₃OCHO	methyl formate	ch3ocho
672	CHOCH₂OH	hydroxy acetaldehyde	haa
673	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
674	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
675	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
676	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
677	HCOOHH₂O	Formic acid water dimer	hcoohh2o
678	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
679	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
680	CH₃C(OH)=NH	Ethaninidic acid	eia
681	CH₃CHNOH	Acetaldoxime	acetaldoxime
682	CH₃CONH₂	Acetamide	acetamide
683	HCONHCH₃	N-methylformamide	nmfa
684	CH₃CSNH₂	Ethanethioamide	ch3csnh2
685	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
686	H₂NCOHNH₂⁺	urea, protonated	ureah+
687	C₂H₅OO	ethylperoxy radical	c2h5oo
688	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
689	C₃H₅OH	Cyclopropanol	cproh
690	C₃H₆O	2-Propen-1-ol	c107186
691	C₃H₆O	Acetone enol	enol
692	C₃H₆O	Oxetane	oxetane
693	C₃H₆O	Propylene oxide	prox
694	CH₃COCH₃	Acetone	acetone
695	CH₃COCH₃^-	acetone anion	ch3coch3-
696	C₃H₆S	Thietane	thietane
697	C₃H₆S	Thiirane, methyl-	methiirane
698	CH₃CSCH₃	Thioacetone	ch3csch3
699	C₂H₆O₂	1,2-Ethanediol	ethdiol
700	CH₃OOCH₃	dimethylperoxide	dmp
701	CH₃SOCH₃	Dimethyl sulfoxide	dmso
702	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
703	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
704	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
705	HOCH₂CH₂NH₂	monoethanolamine	mea
706	C₃H₇OH	1-Propanol	proh
707	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
708	CH₃OC₂H₅	Ethane, methoxy-	etome
709	C₃H₇SH	1-Propanethiol	prsh
710	CH₃CHSHCH₃	2-Propanethiol	isoprsh
711	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
712	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
713	Na₂F₂	Sodium Fluoride Dimer	na2f2
714	Na₂Cl₂	Disodium dichloride	na2cl2
715	C₂F₂	difluoroacetylene	c2f2
716	C₂Cl₂	dichloroacetylene	c2cl2
717	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
718	FNO₂	Nitryl fluoride	fno2
719	FONO	Nitrosyl hypofluorite	fono
720	ClNO₂	Nitryl chloride	clno2
721	ClONO	chlorine nitrite	clono
722	BrONO	Bromine nitrite	brono
723	N₂F₂	(Z)-Difluorodiazene	n2f2_z
724	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
725	COFCl	Carbonic chloride fluoride	cofcl
726	CCl₂O	Phosgene	cl2co
727	COBr₂	Carbonic dibromide	cobr2
728	BF₃^-	Borane, trifluoro- anion	bf3-
729	BClF₂	Chlorodifluoroborane	bclf2
730	AlF₂Cl	Aluminum chloride difluoride	alclf2
731	ScF₃	Scandium trifluoride	ScF3
732	AlFCl₂	Aluminum dichloride fluoride	alcl2f
733	AlCl₃	Aluminum trichloride	alcl3
734	GaCl₃	Gallium trichloride	gacl3
735	BBr₃	Boron tribromide	bbr3
736	AlBr₃	Aluminum Bromide	albr3
737	ClO₃	Chlorine trioxide	clo3
738	ClO₃^-	chlorate anion	clo3-
739	BrO₃^-	Bromate anion	bro3-
740	CF₃	Trifluoromethyl radical	cf3
741	CF₃^-	Trifluoromethyl anion	cf3-
742	CF₃⁺	Trifluoromethyl cation	cf3+
743	SiF₃	Silicon trifluoride radical	sif3
744	SiF₃⁺	Silicon trifluoride cation	sif3+
745	CCl₃	Trichloromethyl radical	ccl3
746	CCl₃^-	Trichloromethyl anion	ccl3-
747	CCl₃⁺	Trichloromethyl cation	ccl3+
748	SiCl₃	trichlorosilyl radical	sicl3
749	SiCl₃⁺	trichlorosilyl cation	sicl3+
750	CBr₃	tribromomethyl radical	cbr3
751	FOOF	Perfluoroperoxide	foof
752	F₂SO	Thionyl Fluoride	f2so
753	ClOOCl	Dichlorine dioxide	cloocl
754	FSSF	Difluorodisulfane	fssf
755	S₂F₂	Thio-thionyl fluoride	s2f2
756	SOCl₂	thionyl chloride	socl2
757	SeOCl₂	selenium oxychloride	seocl2
758	NF₃^-	Nitrogen trifluoride anion	nf3-
759	NF₃⁺	Nitrogen trifluoride cation	nf3+
760	PF₃	Phosphorus trifluoride	pf3
761	NCl₃	nitrogen trichloride	ncl3
762	AsF₃	Arsenic trifluoride	asf3
763	PCl₃	Phosphorus trichloride	pcl3
764	SbF₃	Antimony Trifluoride	sbf3
765	AsCl₃	Arsenous trichloride	ascl3
766	SbCl₃	Antimony Trichloride	sbcl3
767	NBr₃	Nitrogen Tribromide	nbr3
768	PBr₃	Phosphorus tribromide	pbr3
769	AsBr₃	Arsenic tribromide	asbr3
770	NI₃	Nitrogen triiodide	ni3
771	PI₃	Phosphorus triiodide	pi3
772	ClSSCl	Disulfur dichloride	s2cl2
773	SF₃	Sulfur trifluoride	sf3
774	ClF₃	Chlorine trifluoride	clf3
775	BrF₃	Bromine trifluoride	brf3
776	IF₃	iodone trifluoride	if3
777	CHF₂Cl	difluorochloromethane	chf2cl
778	CHFCl₂	fluorodichloromethane	chfcl2
779	CDCl₃	trichloromethane-d	cdcl3
780	CHCl₃	Chloroform	chcl3
781	SiHCl₃	Trichlorosilane	sihcl3
782	CHFClBr	fluorochlorobromomethane	chfclbr
783	CHBrCl₂	Methane, bromodichloro-	chbrcl2
784	CHF₂I	difluoroiodomethane	chf2i
785	CHBr₂F	dibromofluoromethane	chbr2f
786	CHFClI	fluorochloroiodomethane	chfcli
787	CHCl₂I	dichloroiodomethane	chcl2i
788	CHClBr₂	Methane, dibromochloro-	chclbr2
789	CHBr₃	bromoform	chbr3
790	CHI₃	Iodoform	chi3
791	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
792	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
793	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
794	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
795	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
796	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
797	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
798	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
799	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
800	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
801	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
802	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
803	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
804	CH₃COF	Acetyl fluoride	ch3cof
805	CH₂ClCHO	chloroacetaldehyde	ch2clcho
806	CH₃COCl	Acetyl Chloride	ch3cocl
807	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
808	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
809	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
810	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
811	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
812	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
813	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
814	CH₂CFCH₃	2-fluoropropene	2fpro
815	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
816	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
817	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
818	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
819	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
820	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
821	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
822	CH₂FCH₂CH₃	1-Fluoropropane	prf1
823	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
824	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
825	CH₃CH₂CH₂Br	n-propyl bromide	prbr
826	CH₃CHBrCH₃	i-propyl bromide	iprbr
827	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
828	B₅H₉	pentaborane9	b5h9
829	C₅H₄	pentatetraene	ptrene
830	C₅H₅	cyclopentadienyl radical	c5h5
831	C₅H₅^-	cylopentadienyl anion	c5h5-
832	C₅H₆	1,3-Cyclopentadiene	c542927
833	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
834	C₅H₆	3-Penten-1-yne, (E)-	c2004695
835	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
836	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
837	C₅H₆	Cyclopropylacetylene	c6746947
838	C₅H₆	Propellane	propellane
839	C₅H₇	1,3-pentadienyl radical	pdyl
840	C₅H₇	cyclopentenyl radical	cpyl
841	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
842	C₅H₈	1,2-Pentadiene	c591957
843	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
844	C₅H₈	1,3-Pentadiene, (E)-	c2004708
845	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
846	C₅H₈	1,4-Pentadiene	c591935
847	C₅H₈	1-pentyne	a1pentyne
848	C₅H₈	2,3-Pentadiene	c591968
849	C₅H₈	Cyclobutane, methylene-	c1120565
850	C₅H₈	Cyclopentene	c142290
851	C₅H₈	Ethenylcyclopropane	c693867
852	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
853	C₅H₁₀	1-Butene, 2-methyl-	c563462
854	C₅H₁₀	2-Butene, 2-methyl-	c513359
855	C₅H₁₀	2-Pentene, (E)-	c646048
856	C₅H₁₀	2-Pentene, (Z)-	c627203
857	C₅H₁₀	Cyclopentane	c287923
858	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
859	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
860	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
861	C₅H₁₂	Butane, 2-methyl-	buta2
862	C₅H₁₂	Pentane	pentane
863	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
864	Si(CH₃)₄	tetramethylsilane	tms
865	N₂O₃	Dinitrogen trioxide	n2o3
866	C₃H₂N₂	Malononitrile	c3h2n2
867	CH₂N₄	1H-Tetrazole	1htz
868	C₃H₃N₂	imidazolyl radical	im
869	C₃H₃N₂^-	imidizolyl anion	im-
870	C₂H₃N₃	1H-1,2,4-Triazole	c288880
871	C₄H₄N	pyrrolide radical	c4h4n
872	C₄H₄N^-	pyrrolide anion	c4h4n-
873	C₃H₄N₂	1H-Imidazole	1himidaz
874	C₃H₄N₂	1H-Pyrazole	1hpyraz
875	C₃H₄N₂	2H-Imidazole	imid2h
876	C₃H₄N₂	4H-Imidazole	imid4h
877	C₄H₅N	(E)-2-Butenenitrile	c627269
878	C₄H₅N	(Z)-2-Butenenitrile	c1190767
879	C₄H₅N	2H-pyrrole	pyrrole2
880	C₄H₅N	3H-pyrrole	pyrrole3
881	C₄H₅N	Cyclopropanecarbonitrile	c5500210
882	C₄H₅N	Pyrrole	pyrrole
883	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
884	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
885	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
886	C₄H₆N⁺	pyrrole, protonated	ppyr
887	C₃H₆N₂	3-Aminopropionitrile	c151188
888	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
889	CH₃CH₂CH₂CN	Butanenitrile	c109740
890	C₅H₈	Bicyclo[2.1.0]pentane	c185944
891	C₅H₈	Spiropentane	c157404
892	C₄H₉N	Cyclobutylamine	cbam
893	C₄H₉N	Pyrrolidine	pyrrolidine
894	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
895	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
896	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
897	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
898	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
899	NH(C₂H₅)₂	diethylamine	dea
900	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
901	C₃O₂⁺	Carbon suboxide cation	c3o2+
902	MgCO₃	Magnesium Carbonate	mgco3
903	BeCO₃	Beryllium Carbonate	beco3
904	CaCO₃	Calcium Carbonate	caco3
905	ONONO	Nitrosyl nitrite	onono
906	PO₄^---	phosphate	po4---
907	SO₄^--	sulfate	so4--
908	HOONO₂	peroxy nitric acid	hoono2
909	HSO₄^-	bisulfate anion	hso4-
910	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
911	C₃H₂O₂	Propiolic acid	c3h2o2
912	CHOCOOH	oxo acetic acid	oaa
913	CHOOCHO	diformyl ether	choocho
914	H₂SO₄	Sulfuric acid	h2so4
915	H₂SeO₄	Selenic acid	h2seo4
916	C₃H₃NO	Oxazole	oxazole
917	C₃H₃NS	Thiazole	thiazole
918	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
919	CH₃NO₃	Methyl nitrate	ch3no3
920	H₃PO₄	Phosphoric Acid	h3po4
921	C₄H₄O	Furan	furan
922	C₄H₄O⁺	Furan cation	furan+
923	CH₃COCCH	3-butyn-2-one	c1423605
924	C₄H₄S	Thiophene	furans
925	C₄H₄Se	selenophene	c4h4se
926	C₃H₄O₂	β–Propiolactone	beta
927	C₃H₄O₂	2-Propenoic acid	propenoic2
928	C₃H₄O₂	Methyl glyoxal	megly
929	C₃H₄O₂	propanedial	propanedial
930	C₃H₄O₂	propenalol	propenalol
931	HOCHCCHOH	allenediol	aldiol
932	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
933	C₂H₄O₃	trioxolane124	triox
934	HOCH₂COOH	Hydroxyacetic acid	hac
935	CH₂CHCONH₂	Acrylamide	c79061
936	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
937	CH₅N₃S	Hydrazinecarbothioamide	c79196
938	H₂NCH₂COOH	Glycine	glycine
939	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
940	C₄H₆O	cis-2-butenal	butenal2c
941	C₄H₆O	Cyclobutanone	cbutone
942	C₄H₆O	Furan, 2,3-dihydro-	furan23h
943	C₄H₆O	Furan, 2,5-dihydro-	furan25h
944	CH₂CHOCHCH₂	Vinyl ether	vinylether
945	CHOCHCHCH₃	2-Butenal	butenal2
946	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
947	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
948	CH₂CHSCHCH₂	Divinyl sulfide	divis
949	C₂H₆N₂O	Urea, methyl-	c598505
950	C₃H₆O₂	1,3-Dioxolane	dioxolane
951	CH₃CH₂COOH	Propanoic Acid	propanoic
952	CH₃COOCH₃	methyl acetate	aame
953	HCOOC₂H₅	Ethyl formate	faee
954	C₂H₆O₂S	Dimethyl sulfone	c67710
955	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
956	C₃H₇NO	dimethylformamide	dmf
957	C₃H₇NO	Propanamide	propanam
958	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
959	C₄H₈O	Cyclobutanol	c2919235
960	C₄H₈O	Furan, tetrahydro-	thf
961	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
962	CH₃COCH₂CH₃	2-Butanone	buta2one
963	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
964	CHOCH₂CH₂CH₃	Butanal	butanal
965	C₄H₈S	Thiophene, tetrahydro-	tht
966	C₃H₈O₂	1,3-Propanediol	c504632
967	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
968	C₃H₈O₂	Methane, dimethoxy-	c109875
969	C₃H₈O₂	Propylene glycol	c57556
970	C₃H₈S₂	1,3-Propanedithiol	c109808
971	C₄H₁₀O	1-Butanol	butanol1
972	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
973	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
974	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
975	C₄H₁₀O	Ethoxy ethane	etoet
976	C₄H₁₀O	Methyl propyl ether	meopr
977	C₄H₁₀O	Propane, 2-methoxy-	c598538
978	C₄H₁₀O⁺	1-Butanol cation	butanol1+
979	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
980	C₂H₅SC₂H₅	Diethyl sulfide	etset
981	C₄H₉SH	1-Butanethiol	bush
982	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
983	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
984	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
985	FNO₃	Fluorine nitrate	fno3
986	ClONO₂	Chlorine nitrate	clono2
987	BrONO₂	Bromine nitrate	brono2
988	TiCl₄	Titanium tetrachloride	ticl4
989	ClO₄^-	perchlorate anion	clo4-
990	BF₄^-	tetrafluoroboron anion	bf4-
991	ClFO₃	Perchloryl fluoride	clfo3
992	SO₂F₂	Sulfuryl fluoride	so2f2
993	SO₂Cl₂	Sulfuryl chloride	so2cl2
994	F₃NO	Nitrogen trifluoride oxide	f3no
995	F₃PO	Phosphoryl fluoride	pf3o
996	Cl₃PO	Phosphoryl chloride	pcl3o
997	CF₄	Carbon tetrafluoride	cf4
998	SiF₄	Silicon tetrafluoride	sif4
999	TiF₄	Titanium tetrafluoride	tif4
1000	CFCl₃	Trichloromonofluoromethane	cfcl3
1001	CF₃Br	Bromotrifluoromethane	cf3br
1002	GeF₄	Germanium tetrafluoride	gef4
1003	CCl₄	Carbon tetrachloride	ccl4
1004	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1005	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1006	SiCl₄	Silane, tetrachloro-	sicl4
1007	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1008	CF₃I	trifluoroiodomethane	cf3i
1009	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1010	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1011	GeCl₄	Germanium Tetrachloride	gecl4
1012	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1013	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1014	CCl₃I	trichloroiodomethane	ccl3i
1015	CFBr₃	fluorotribromomethane	cfbr3
1016	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1017	CBr₃Cl	tribromochloromethane	cbr3cl
1018	CF₂I₂	difluorodiiodomethane	cf2i2
1019	CBr₄	Carbon tetrabromide	cbr4
1020	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1021	SiBr₄	Silicon tetrabromide	sibr4
1022	CBr₃I	tribromoiododmethane	cbr3i
1023	GeBr₄	Germanium tetrabromide	gebr4
1024	CI₄	tetraiodomethane	ci4
1025	SiI₄	silicon tetraiodide	sii4
1026	ClOF₃	Chlorine trifluoride oxide	clof3
1027	SF₄	Sulfur tetrafluoride	sf4
1028	SeF₄	Selenium tetrafluoride	sef4
1029	SCl₄	Sulfur tetrachloride	scl4
1030	C₂HF₃	Trifluoroethylene	c2hf3
1031	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1032	CHClCCl₂	Trichloroethylene	chclccl2
1033	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1034	HClO₄	perchloric acid	hclo4
1035	HSO₃F	Fluorosulfonic acid	hso3f
1036	CF₃OH	trifluoromethanol	cf3oh
1037	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1038	CHClCCHCl	1,3-dichloroallene	chclcchcl
1039	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1040	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1041	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1042	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1043	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1044	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1045	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1046	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1047	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1048	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1049	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1050	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1051	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1052	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1053	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1054	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1055	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1056	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1057	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1058	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1059	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1060	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1061	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1062	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1063	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1064	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1065	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1066	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1067	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1068	C₄H₉F	1-fluorobutane	butaf1
1069	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1070	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1071	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1072	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1073	XeF₄	Xenon tetrafluoride	xef4
1074	C₂H₂N₂O	Furazan	furazan
1075	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1076	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1077	C₆H₂	hexatriyne	c6h2
1078	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1079	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1080	C₆H₄	Benzyne	benzyne
1081	C₆H₅	phenyl	phenyl
1082	C₆H₅^-	phenyl anion	phenyl-
1083	C₆H₆	Prismane	prismane
1084	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1085	C₆H₆	2,4-Hexadiyne	hexadiyne
1086	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1087	C₆H₆	Benzene	benzene
1088	C₆H₆	Benzvalene	bv
1089	C₆H₆	Dewar Benzene	dewar
1090	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1091	C₆H₆	Trimethylenecycopropane	tmcp
1092	C₆H₆⁺	Benzene cation	c6h6+
1093	C₆H₇⁺	benzene, protonated	c6h7+
1094	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1095	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1096	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1097	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1098	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1099	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1100	C₆H₈	3-Methylenecyclopentene	c930267
1101	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1102	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1103	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1104	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1105	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1106	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1107	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1108	C₆H₁₀	1,5-Hexadiene	c592427
1109	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1110	C₆H₁₀	1-Hexyne	hexyne1
1111	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1112	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1113	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1114	C₆H₁₀	2-Hexyne	c764352
1115	C₆H₁₀	3-Hexyne	hexyne3
1116	C₆H₁₀	cyclohexene	cyclohexene
1117	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1118	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1119	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1120	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1121	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1122	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1123	C₆H₁₂	(E)-2-Hexene	e2hexene
1124	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1125	C₆H₁₂	(E)-hex-3-ene	e3hexene
1126	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1127	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1128	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1129	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1130	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1131	C₆H₁₂	3-methylenepentane	c760214
1132	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1133	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1134	C₆H₁₂	Cyclohexane	cyclohexane
1135	C₆H₁₂	Cyclopentane, methyl-	c96377
1136	C₆H₁₂	Ethylcyclobutane	c4806615
1137	C₆H₁₂	hex-1-ene	hexene1
1138	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1139	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1140	C₆H₁₄	Hexane	hexane
1141	C₆H₁₄	Pentane, 2-methyl-	penta2
1142	C₆H₁₄	Pentane, 3-methyl-	penta3
1143	C₄N₂	2-Butynedinitrile	c4n2
1144	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1145	C₄H₂N₂	Fumaronitrile	c4h2n2
1146	C₂H₂N₄	sym-tetrazine	ttz
1147	C₃H₃N₃	1,3,5-Triazine	triazine135
1148	CH₃N₅	5-Aminotetrazole	c4418615
1149	C₄H₄N₂	1,3-Diazine	diazine13
1150	C₄H₄N₂	Pyrazine	pyrazine
1151	C₄H₄N₂	Pyridazine	pyridazine
1152	C₄H₄N₂	Succinonitrile	c110612
1153	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1154	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1155	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1156	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1157	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1158	C₅H₅N	Pyridine	pyridine
1159	B₃N₃H₆	borazine	borazine
1160	C₆H₆	Fulvene	fulvene
1161	C₅H₆N⁺	Pyridinium	c5h6n
1162	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1163	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1164	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1165	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1166	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1167	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1168	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1169	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1170	C₅H₉N	Pentanenitrile	c110598
1171	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1172	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1173	C₅H₁₁N	Cyclopentanamine	cypentam
1174	C₅H₁₁N	Piperidine	piper
1175	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1176	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1177	Li₂CO₃	Lithium Carbonate	li2co3
1178	Na₂CO₃	Sodium Carbonate	na2co3
1179	C₂O₄^--	oxalate anion	c2o4
1180	MgSO₄	Magnesium Sulfate	mgso4
1181	N₂O₄	Dinitrogen tetroxide	n2o4
1182	C₂H₂O₄	Oxalic Acid	oxalic
1183	C₂H₃NO₃	Oxamic acid	oxamic
1184	C₄H₄O₂	2(5H)-Furanone	furanone
1185	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1186	C₂H₄N₂O₂	Oxalamide	oxalamide
1187	C₂H₄N₂S₂	Ethanedithioamide	c79403
1188	C₂H₄CO₃	Ethylene carbonate	etco3
1189	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1190	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1191	C₂H₄O₄	Formic acid dimer	fadimer
1192	C₄H₅NO	3-Methylisoxazole	isox3m
1193	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1194	C₄H₅NS	4-Methylthiazole	c693958
1195	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1196	C₅H₆O	2H-Pyran	pyran2
1197	C₅H₆O	2-methylfuran	furan2m
1198	C₅H₆O	3-Methylfuran	furan3m
1199	C₅H₆O	Pentadienal	pdal
1200	C₅H₆S	Thiophene, 2-methyl-	c554143
1201	C₅H₆S	Thiophene, 3-methyl-	c616444
1202	C₄H₆O₂	2,3-Butanedione	c431038
1203	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1204	C₄H₆O₂	Crotonic Acid	crot
1205	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1206	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1207	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1208	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1209	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1210	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1211	C₄H₆OS	Vinyl sulfoxide	c1115157
1212	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1213	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1214	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1215	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1216	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1217	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1218	C₄H₇NO	2-Pyrrolidinone	c616455
1219	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1220	C₄H₇NO	Methacrylamide	c79390
1221	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1222	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1223	C₃H₇ONO	Propyl nitrite	prono
1224	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1225	CH₃CH(NH₂)COOH	Alanine	alanine
1226	CH₃NHCH₂COOH	Sarcosine	sarcosine
1227	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1228	NH₂COOC₂H₅	Urethane	urethane
1229	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1230	C₅H₈O	Cyclopentanone	c120923
1231	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1232	C₅H₈O	Methyl cyclopropyl ketone	c765435
1233	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1234	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1235	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1236	C₄H₈O₂	1,3-Dioxane	dioxan13
1237	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1238	C₄H₈O₂	1,4-Dioxane	dioxan14
1239	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1240	C₄H₈O₂	Ethyl acetate	c141786
1241	C₄H₈OS	s-Ethyl thioacetate	c625605
1242	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1243	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1244	C₄H₉NO	Butanamide	c541355
1245	C₄H₉NO	Propanamide, 2-methyl-	c563837
1246	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1247	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1248	C₅H₁₀O	2-methylbutyraldehyde	2meba
1249	C₅H₁₀O	2-Pentanone	mpk
1250	C₅H₁₀O	3-Pentanone	dek
1251	C₅H₁₀O	Cyclopentanol	c96413
1252	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1253	C₅H₁₀O	Pentanal	pal
1254	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1255	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1256	C₅H₁₀S	Cyclopentanethiol	c1679078
1257	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1258	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1259	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1260	C₄H₁₀O₂	1,3-Butanediol	budiol13
1261	C₄H₁₀O₂	1,4-Butanediol	budiol14
1262	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1263	C₄H₁₀OS	Diethyl sulfoxide	c70291
1264	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1265	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1266	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1267	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1268	C₅H₁₂O	1-Pentanol	pentanol1
1269	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1270	C₅H₁₂O	2-Pentanol	peol2
1271	C₅H₁₂O	3-Pentanol	pentan3ol
1272	C₅H₁₂O	Butane, 1-methoxy-	meobu
1273	C₅H₁₂O	Propane, 1-ethoxy-	proet
1274	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1275	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1276	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1277	C₅H₁₂S	1-Pentanethiol	c110667
1278	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1279	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1280	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1281	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1282	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1283	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1284	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1285	C₄F₂	difluorobutadiyne	c4f2
1286	ClCOClCO	Oxalyl chloride	oxcl
1287	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1288	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1289	B₂F₄	Diboron tetrafluoride	b2f4
1290	B₂Cl₄	Diboron tetrachloride	b2cl4
1291	C₂F₄	Tetrafluoroethylene	c2f4
1292	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1293	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1294	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1295	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1296	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1297	C₂FCl₃	fluorotrichloroethene	c2fcl3
1298	C₂Cl₄	Tetrachloroethylene	c2cl4
1299	C₂Br₄	tetrabromoethene	c2br4
1300	CF₃OF	Trifluoromethylhypofluorite	cf3of
1301	SiF₅^-	silicon pentafluoride anion	sif5-
1302	SOF₄	Sulfur tetrafluoride oxide	sof4
1303	AsF₅	Arsenic pentafluoride	asf5
1304	PCl₅	Phosphorus pentachloride	pcl5
1305	SF₅	Sulfur pentafluoride	sf5
1306	SF₅⁺	pentafluoro sulfur cation	sf5+
1307	SbCl₅	Antimony pentachloride	sbcl5
1308	BrF₅	bromine pentafluoride	brf5
1309	ClF₅	chlorinepentafluoride	clf5
1310	IF₅	pentafluoroiodine	if5
1311	CF₃CHO	trifluoroacetaldehyde	cf3cho
1312	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1313	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1314	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1315	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1316	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1317	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1318	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1319	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1320	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1321	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1322	CF₃COOH	trifluoroacetic acid	cf3cooh
1323	C₄H₃ClO	Furan, 2-chloro	fur2cl
1324	C₄H₃ClO	Furan,3-chloro	fur3cl
1325	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1326	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1327	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1328	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1329	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1330	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1331	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1332	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1333	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1334	C₄H₈O₂	Butanoic acid	bua
1335	C₆H₅CH₂	benzyl radical	benzyl
1336	C₇H₇	cycloheptatrienyl radical	c7h7
1337	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1338	C₆H₅CH₃	toluene	toluene
1339	C₇H₈	cycloheptatriene	cht
1340	C₇H₈	Norbornadiene	norbor
1341	C₇H₈	Quadricyclane	qucy
1342	C₇H₁₂	Norbornane	nor
1343	C₇H₁₄	cycloheptane	c7h14
1344	C₇H₁₆	2-methylhexane	2mhex
1345	C₇H₁₆	3-methylhexane	hex3m
1346	C₇H₁₆	heptane	heptane
1347	CH(CN)₃	tricyanomethane	mecn3
1348	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1349	C₆H₇N	2-Methylpyridine	mp
1350	C₆H₅NH₂	aniline	aniline
1351	C₆H₁₃N	2-Methylpiperidine	pip2m
1352	C₆H₁₃N	cyclohexanamine	cham
1353	C₆H₁₅N	triethylamine	tea
1354	N₂O₅	Dinitrogen pentoxide	n2o5
1355	C₄H₂O₃	Maleic Anhydride	malan
1356	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1357	C₅H₄O₂	furfural	furfural
1358	C₆H₅O	phenoxy radical	phenoxy
1359	C₅H₅NO	2(1H)-Pyridinone	c72762006
1360	C₅H₅NO	2(3H)-Pyridinone	c9000048
1361	C₅H₅NO	2(5H)-Pyridinone	c9000037
1362	C₅H₅NO	2-Pyridinol	c109104
1363	C₅H₅NO	3(2H)-Pyridinone	c9000004
1364	C₅H₅NO	3(4H)-Pyridinone	c9000026
1365	C₅H₅NO	3(6H)-Pyridinone	c9000015
1366	C₅H₅NO	3-Pyridinol	c109002
1367	C₅H₅NO	4(1H)-Pryidinone	c9000060
1368	C₅H₅NO	4(3H)-Pryidinone	c9000059
1369	C₅H₅NO	4-Pyridinol	c626642
1370	C₆H₅OH	phenol	phenol
1371	C₆H₆O	2,4-Cyclohexadienone	c24599573
1372	C₆H₆O	2,5-Cyclohexadienone	c5664335
1373	C₆H₅SH	Benzenethiol	phsh
1374	HO₂CCHNH₂CH₂OH	Serine	serine
1375	C₅H₈O₂	Acetylacetone	acac
1376	C₄H₈O₂S	Sulfolane	sulfolane
1377	C₇H₁₀	Norbornene	norbornene
1378	CH(C₂H₃)₃	trivinyl methane	tvm
1379	C₆H₁₀O	cyclohexanone	chexo
1380	C₆H₁₂O	hexanal	c6h12o
1381	C₆H₁₂O	Oxepane	oxepane
1382	C₃H₇OC₃H₇	di-n-propyl ether	propr
1383	F₂CCCF₂	tetrafluoroallene	pfa
1384	CF₃COO^-	trifluoro acetate anion	cf3coo-
1385	CF₃COF	trifluoroacetyl fluoride	cf3cof
1386	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1387	PF₆	Hexafluorophosphate neutral	pf6
1388	PF₆^-	Hexafluorophosphate ion	pf6-
1389	SeF₆	Selenium hexafluoride	sef6
1390	SF₅Cl	sulfur chloropentafluoride	sf5cl
1391	CF₃CHF₂	pentafluoroethane	cf3chf2
1392	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1393	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1394	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1395	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1396	C₆H₅F	Fluorobenzene	bzf
1397	C₆H₅Cl	chlorobenzene	bzcl
1398	C₆H₅Br	bromobenzene	bzbr
1399	C₈H₆	Calicene	calicene
1400	C₆H₅CCH	phenylacetylene	phac
1401	C₈H₆	benzocyclobutadiene	bcbd
1402	C₈H₆	Pentalene	pentalene
1403	C₆H₅CHCH₂	Styrene	styrene
1404	C₈H₈	cubane	cubane
1405	C₈H₈	cyclooctatetraene	cot
1406	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1407	CH₃C₆H₄CH₃	meta-xylene	mxylene
1408	CH₃C₆H₄CH₃	paraxylene	pxylene
1409	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1410	C₈H₁₆	cyclooctane	cyclooct
1411	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1412	C₈H₁₈	Octane	c8h18
1413	C₆H₅CN	phenyl cyanide	phcn
1414	C₆H₁₂N₂	Triethylenediamine	ted
1415	C₄O₄^--	squarate dianion	c4o4--
1416	S₄N₄	Tetrasulfur tetranitride	s4n4
1417	S₈	Octasulfur	s8
1418	C₆H₄O₂	parabenzoquinone	pbq
1419	C₄H₄N₂O₂	Uracil	uracil
1420	C₆H₅CHO	benzaldehyde	benzal
1421	C₆H₅OCH₃	Anisole	anisole
1422	C₅H₉NO₂	Proline	proline
1423	C₆H₁₂O₂	Methyl pivalate	c598981
1424	C₆H₁₂O₂	Hexanoic acid	hexa
1425	C₄F₄	tetrafluorcyclobutadiene	c4f4
1426	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1427	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1428	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1429	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1430	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1431	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1432	C₂F₆	hexafluoroethane	c2f6
1433	C₂Cl₆	hexachloroethane	c2cl6
1434	IF₇	Iodine heptafluoride	if7
1435	C₆H₄F₂	metadifluorobenzene	mdfb
1436	C₆H₄F₂	orthodifluorobenzene	odfb
1437	C₆H₄F₂	1,4-difluorobenzene	pdfb
1438	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1439	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1440	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1441	C₆H₅NO	nitrosobenzene	bzno
1442	C₉H₈	Indene	indene
1443	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1444	C₉H₁₂	n-propyl benzene	prbz
1445	C₉H₂₀	Nonane	nonane
1446	C(CN)₄	tetracyanomethane	c5n4
1447	C₅H₄N₄	purine	purine
1448	C₈H₇N	Indole	indole
1449	C₃H₃N₃O₃	cyanuric acid	cyanuric
1450	C₆H₅NO₂	Nitrobenzene	c6h5no2
1451	C₆H₅COOH	benzoic acid	benzo
1452	CH₃COC₆H₅	acetophenone	acph
1453	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1454	C₃F₆	hexafluoropropene	c3f6
1455	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1456	C₈H₁₈O	1-Octanol	octanol
1457	C₁₀H₈	Azulene	azu
1458	C₁₀H₈	naphthalene	naph
1459	C₁₀H₁₀	bullvalene	bullv
1460	C₁₀H₁₆	adamantane	adamantane
1461	C₆N₄	Tetracyanoethylene	tcne
1462	C₆N₄^-	tetracyanoethylene anion	tcne-
1463	C₁₀H₂₂	Decane	decane
1464	C₄F₆	perfluorobutadiene	c4f6
1465	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1466	C₃F₈	perfluoropropane	c3f8
1467	Fe(CO)₅	Iron pentacarbonyl	ipc
1468	Fe(C₅H₅)₂	ferrocene	fecp2
1469	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1470	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1471	C₁₂H₈	Acenaphthylene	acenaph
1472	C₁₂H₈	biphenylene	biph
1473	C₁₂H₁₀	biphenyl	biphenyl
1474	C₁₂H₁₀	Heptalene	heptalene
1475	C₆H₁₂O₆	Inositol	inositol
1476	C₆F₆	hexafluorobenzene	c6f6
1477	S₂F₁₀	disulphur decafluoride	s2f10
1478	C₁₃H₁₀	Fluorene	fluorene
1479	C₁₄H₁₀	Anthracene	anth
1480	C₁₄H₁₀	Phenanthrene	phenanthrene
1481	C₁₄H₁₄	Bibenzyl	bibenzyl
1482	C₁₂H₁₀N₂	azobenzene	azobenzene
1483	C₆H₅COC₆H₅	benzophenone	benzophenone
1484	C₁₆H₁₀	Pyrene	pyrene
1485	C₁₈H₁₂	Tetracene	tetracene
1486	C₁₉H₁₆	Triphenylmethane	tpm
1487	C₂₄H₁₂	Coronene	coronene
1488	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