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

List of which calculations are completed at ROHF /6-31G**

count	Species	Name	State	Conformation
1	D	Deuterium atom	¹S	K_h
2	H	Hydrogen atom	¹S	K_h
3	H^-	Hydrogen atom anion	²S	K_h
4	H⁺	Hydrogen atom cation		K_h
5	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
6	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
7	He	Helium atom
8	He^-	Helium atom anion	²S	K_h
9	He⁺	Helium atom cation	²S	K_h
10	HeH⁺	Helium hydride cation	¹Σ	C_∞v
11	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
12	Li	Lithium atom	²S	K_h
13	Li⁺	Lithium atom cation	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	Na^-	Sodium atom anion	¹S	K_h
16	K	Potassium atom	²S	K_h
17	K^-	Potassium atom anion	¹S	K_h
18	K⁺	Potassium atom cation	¹S	K_h
19	Cu	Copper atom	²S	K_h
20	Cu^-	Copper atom anion	¹S	K_h
21	Cu⁺	Copper atom cation	¹S	K_h
22	LiH⁺	lithium hydride cation	²Σ	C_∞v
23	NaH⁺	sodium hydride cation	²Σ	C_∞v
24	KH	Potassium hydride	¹Σ	C_∞v
25	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
26	CuH	Copper monohydride	¹Σ	C_∞v
27	Be⁺	Beryllium atom cation	²S	K_h
28	Mg^-	Magnesium atom anion	²P	K_h
29	Mg⁺	Magnesium atom cation	²S	K_h
30	Ca^-	Calcium atom anion	²D	K_h
31	Ca⁺	Calcium atom cation	²S	K_h
32	BeH	beryllium monohydride	²Σ	C_∞v
33	MgH	magnesium monohydride	²Σ	C_∞v
34	CaH	Calcium monohydride	²Σ	C_∞v
35	TiH	Titanium monohydride	⁴Φ	C_∞v
36	ZnH	Zinc monohydride	²Σ	C_∞v
37	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
38	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
39	BeH₂⁺	Beryllium dihydride cation
40	B	Boron atom	²P	K_h
41	B	Boron atom	⁴P	K_h
42	B⁺	Boron atom cation	¹S	K_h
43	Al	Aluminum atom	²P	K_h
44	Al^-	Aluminum atom anion	³P	K_h
45	Al⁺	Aluminum atom cation	¹S	K_h
46	Sc	Scandium atom	²D	K_h
47	Sc⁺	Scandium cation	³D	K_h
48	Ga	Gallium atom	²P
49	Ga^-	Gallium atom anion	³P	O_h
50	Ga⁺	Gallium atom cation	¹S
51	BH	Boron monohydride	³Π	C_∞v
52	BH^-	boron monohydride anion	⁴Σ	C_∞v
53	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
54	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
55	BH₂	boron dihydride	²A₁	C_2v
56	BH₂^-	boron dihydride anion	³B₁	C_2v
57	AlH₂	aluminum dihydride	²A₁	C_2v
58	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
59	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
60	BH₃⁺	boron trihydride cation	²E^'	D_3h
61	BH₃⁺	boron trihydride cation	²B₂	C_2v
62	BH₃⁺	boron trihydride cation		C_2v
63	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
64	AlH₃^-	aluminum trihydride anion		C_3v
65	AlH₃⁺	aluminum trihydride cation	²E	D_3h
66	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
67	BH₄	borohydride	²B₂	C_2v
68	BH₄^-	borohydride anion	¹A₁	T_d
69	C	Carbon atom	³P₀	K_h
70	C^-	Carbon atom anion	²D	K_h
71	C⁺	Carbon atom cation	²P	K_h
72	Si	Silicon atom	³P	K_h
73	Si^-	Silicon atom anion	⁴S	K_h
74	Si⁺	Silicon atom cation	²P	K_h
75	Ge	Germanium atom	³P	K_h
76	Ge^-	Germanium anion	⁴S	K_h
77	Ge⁺	Germanium cation	²P	K_h
78	CH	Methylidyne	²Π_1/2	C_∞v
79	SiH	Silylidyne	²Π	C_∞v
80	SiH^-	silicon monohydride anion	³Σ	C_∞v
81	GeH	germylidene	²Π	C_∞v
82	CH₂	Methylene	³B₁	C_2v
83	CH₂	Methylene	³Σ_G	D_∞h
84	CH₂^-	methylene anion	²B₁	C_2v
85	CH₂⁺	methylene cation	²A₁	C_2v
86	CH₂⁺	methylene cation	²Π	D_∞h
87	SiH₂	silicon dihydride	³B₁	C_2v
88	SiH₂^-	silicon dihydride anion	²B₁	C_2v
89	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
90	GeH₂	germylene	¹A₁	C_2v
91	GeH₂^-	germylene anion	²B₁	C_2v
92	CH₃	Methyl radical	²A₁	D_3h
93	CH₃^-	methyl anion	¹A₁	C_3v
94	CH₃⁺	methyl cation	¹A₁^'	D_3h
95	SiH₃	Silyl radical	²A₁	C_3v
96	SiH₃^-	Silyl anion	¹A₁	C_3v
97	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
98	GeH₃	Germyl radical	²A₁	C_3v
99	GeH₃⁺	germyl cation	¹A₁^'	D_3h
100	N	Nitrogen atom	⁴S	K_h
101	N^-	Nitrogen atom anion	³S	K_h
102	N⁺	Nitrogen atom cation	³P	K_h
103	P	Phosphorus atom	⁴S	K_h
104	P^-	Phosphorus atom anion	³P	K_h
105	P⁺	Phosphorus atom cation	³P	K_h
106	V	Vanadium atom	⁴F	K_h
107	V⁺	Vanadium atom cation	⁵D	K_h
108	As	Arsenic atomic	⁴S	K_h
109	As^-	Arsenic anion	³P	K_h
110	As⁺	Arsenic cation	³P	K_h
111	NH	Imidogen	³Σ^-	C_∞v
112	PH	phosphorus monohydride	³Σ^-	C_∞v
113	AsH	Arsenic monohydride	³Σ	C_∞v
114	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
115	ND₂	Amidogen-d2	²B₁	C_2v
116	NH₂	Amino radical	²B₁	C_2v
117	NH₂⁺	Amino cation	³B₁	C_2v
118	PH₂	Phosphino radical	²B₁	C_2v
119	PH₂^-	Phosphino anion	¹A₁	C_2v
120	PH₂⁺	Phosphino cation	¹A₁	C_2v
121	AsH₂	Arsenic dihydride	²A₁	C_2v
122	NH₃^-	Ammonia anion	²A₁	C_3v
123	NH₃⁺	ammonia cation	²A₂^"	D_3h
124	PH₃⁺	Phosphine cation	²A₁	C_3v
125	AsH₃⁺	Arsine cation	²A₁	C_3v
126	NH₄	Ammonium radical
127	PH₄	Phosphoranyl radical
128	O	Oxygen atom	³S	K_h
129	O^-	Oxygen atom anion	²P	K_h
130	O⁺	Oxygen atom cation	⁴S	K_h
131	S	Sulfur atom	³P	K_h
132	S^-	Sulfur atom anion	²P	K_h
133	S⁺	Sulfur atom cation	⁴S	K_h
134	Se	Selenium atom	³P	K_h
135	Se^-	Selenium atom anion	²P	K_h
136	Se⁺	Selenium atom cation	⁴S	K_h
137	DO	Hydroxyl-d	²Π	C_∞v
138	OH	Hydroxyl radical	²Π	C_∞v
139	OH⁺	hydoxyl cation	³Σ	C_∞v
140	DS	Mercapto-d	²Π	C_∞v
141	HS	Mercapto radical	²Π	C_∞v
142	HS^-	mercapto anion	¹Σ	C_∞v
143	HS⁺	sulfur monohydride cation	³Σ	C_∞v
144	CrH	Chromium hydride	⁶Σ	C_∞v
145	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
146	HSe	Selenium monohydride	²Π	C_∞v
147	HSe⁺	selenium monohydride cation	³Σ	C_∞v
148	H₂O^-	water anion	²A₁	C_2v
149	H₂O^-	water anion	²A^'	C_s
150	H₂O⁺	water cation	²B₁	C_2v
151	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
152	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
153	H₂Se	Hydrogen selenide	¹A₁	C_2v
154	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
155	H₃S⁺	Sulfonium cation	¹A₁	C_3v
156	F	Fluorine atom	²P	K_h
157	F^-	Fluorine atom anion	¹S	K_h
158	F⁺	Fluorine atom cation	³S	K_h
159	F⁺	Fluorine atom cation	¹D	K_h
160	Cl	Chlorine atom	²P	K_h
161	Cl^-	Chlorine atom anion	¹S	K_h
162	Cl⁺	Chlorine atom cation	³P	K_h
163	Cl⁺	Chlorine atom cation	¹D	K_h
164	Br	Bromine atom	²P	K_h
165	Br^-	Bromine atom anion	¹S	K_h
166	Br⁺	Bromine atom cation	³P	K_h
167	HF^-	hydrogen fluoride anion	²Σ	C_∞v
168	HF⁺	hydrogen fluoride cation	²Π	C_∞v
169	HCl^-	hydrogen chloride anion	²Σ	C_∞v
170	HCl⁺	hydrogen chloride cation	²Π	C_∞v
171	HBr	hydrogen bromide	¹Σ	C_∞v
172	HBr^-	hydrogen bromide anion	²Σ	C_∞v
173	HBr⁺	hydrogen bromide cation	²Π	C_∞v
174	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
175	Ne	Neon atom
176	Ne^-	Neon atom anion	²S	K_h
177	Ne⁺	Neon atom cation	²P	K_h
178	Ar^-	Argon atom anion	²S	K_h
179	Ar⁺	Argon atom cation	²P	K_h
180	Kr⁺	Krypton cation	²P	K_h
181	NeH	neon hydrogen	²Σ	C_∞v
182	ArH⁺	Argon hydride cation	¹Σ	C_∞v
183	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
184	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
185	NaK⁺	Sodium Potassium diatomic cation		1
186	LiBe	Lithium Beryllium	²Σ	C_∞v
187	LiMg	Lithium magnesium	²Σ	C_∞v
188	NaBe	Sodium Beryllium	²Σ	C_∞v
189	NaMg	Sodium Magnesium	²Σ	C_∞v
190	Be₂	Beryllium diatomic	³Π_g	D_∞h
191	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
192	LiB	Lithium boride	³Π	C_∞v
193	BeB	Beryllium monoboride	²Π	C_∞v
194	B₂	Boron diatomic	³Σ_g	D_∞h
195	B₂	Boron diatomic	⁵Σ_u	D_∞h
196	B₂⁺	Boron diatomic cation	²Π	D_∞h
197	BAl	Boron Aluminum	³Σ	C_∞v
198	BGa	Boron Gallium	³Σ	C_∞v
199	AlGa	Aluminum Gallium	³Σ	C_∞v
200	Ga₂	Gallium diatomic	³P_iu
201	HBBH	Diborane(2)	³Σ_G	D_∞h
202	B₂H₆⁺	Diborane cation
203	LiC	Lithium Carbide	⁴Σ	C_∞v
204	BeC	Beryllium Carbide	³Σ^-	C_∞v
205	BeC	Beryllium Carbide
206	CaC	Calcium monocarbide
207	BC	boron monocarbide	⁴Σ^-	C_∞v
208	BC^-	boron monocarbide anion	³Π_u	C_∞v
209	AlC	Aluminum carbide	⁴Σ	C_∞v
210	BSi	Boron silicide	⁴Σ	C_∞v
211	BSi	Boron silicide	²Σ	C_∞v
212	C₂	Carbon diatomic	³Π_u	D_∞h
213	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
214	SiC	silicon monocarbide	³Σ	C_∞v
215	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
216	SiC⁺	silicon monocarbide cation	²Π	C_∞v
217	Si₂	Silicon diatomic	³Σ_g	D_∞h
218	GeC	Germanium monocarbide	¹Σ	C_∞v
219	SiGe	Silicon Germanium
220	Ge₂	Germanium diatomic	³Σ_g	D_∞h
221	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
222	C₂H	Ethynyl radical	²Σ	C_∞v
223	ZnCH₂	Zinc methylene	³B₁	C_2v
224	ZnCH₂	Zinc methylene	¹A^'	C_s
225	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
226	C₂H₂⁺	acetylene cation
227	CCH₂	vinylidene	¹A₁	C_2v
228	CCH₂	vinylidene	³B₂	C_2v
229	H₂CC^-	vinylidene anion
230	HCCH^-	acetylene anion
231	HCCH^-	acetylene anion
232	CH₃Li	methyl lithium	¹A₁	C_3v
233	ZnCH₃	Zinc monomethyl	²A₁	C_3v
234	C₂H₃	vinyl	²A^'	C_s
235	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
236	C₂H₄^-	Ethylene anion	²B_2g	D_2h
237	C₂H₄^-	Ethylene anion	²A_g	C_2h
238	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
239	C₂H₄⁺	Ethylene cation	²B₃	D₂
240	CH₃CH	methylmethylene	³A^"	C_s
241	C₂H₅	Ethyl radical	²A^'	C_s
242	C₂H₆⁺	ethane cation	²B_g	C_2h
243	C₂H₆⁺	ethane cation	²A_g	C_i
244	LiN	Lithium Nitride	³Σ	C_∞v
245	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
246	LiP	Lithium monophosphide
247	BeN	Beryllium mononitride	⁴Σ	C_∞v
248	BeN	Beryllium mononitride	²Π	C_∞v
249	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
250	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
251	MgN	Magnesium Nitride
252	MgN	Magnesium Nitride
253	BP	Boron monophosphide	³Π	C_∞v
254	AlP	Aluminum monophosphide	³Σ	C_∞v
255	AlP	Aluminum monophosphide	³Π	C_∞v
256	GaN	Gallium mononitride	³Π	C_∞v
257	GaP	Gallium monophosphide	³Σ	C_∞v
258	GaAs	Gallium arsenide	³Π
259	GaAs	Gallium arsenide	¹Σ
260	BN	boron nitride	³Π	C_∞v
261	AlN	Aluminum nitride	³Π_i	C_∞v
262	CN	Cyano radical	²Σ	C_∞v
263	CP	Carbon monophosphide	²Σ	C_∞v
264	SiN	Silicon nitride	²Σ	C_∞v
265	SiP	Silicon monophosphide	²Π	C_∞v
266	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
267	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
268	N₂	Nitrogen diatomic
269	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
270	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
271	HNB	hydrogen nitrogen boron	²Σ	C_∞v
272	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
273	HNC⁺	hydrogen isocyanide cation
274	HCP⁺	Phosphaethyne cation
275	NNH	Dinitrogen monohydride	²A^'	C_s
276	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
277	CNH₂	Aminomethylidyne radical	²B₂	C_2v
278	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
279	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
280	HCNH	methyleneazane	²A^'	CS cis
281	HCNH	methyleneazane	²A^'	CS trans
282	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
283	CH₂NH⁺	Methanimine cation
284	CHNH₂⁺	Aminocarbene cation
285	N₂H₄⁺	hydrazine cation	²A_G	C_2h
286	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
287	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
288	LiO	lithium oxide	²Σ	C_∞v
289	LiO^-	lithium oxide anion	¹Σ	C_∞v
290	LiO^-	lithium oxide anion	³Σ	C_∞v
291	LiO⁺	lithium oxide cation	³Σ	C_∞v
292	LiS	Lithium monosulfide	²Π	C_∞v
293	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
294	NaO	sodium monoxide	²Σ	C_∞v
295	KO	Potassium monoxide	²Σ	C_∞v
296	KO⁺	Potassium monoxide cation	³Σ	C_∞v
297	NaS	Sodium sulfide	²Π	C_∞v
298	CuO	Copper Monoxide	²Π	C_∞v
299	LiSe	Lithium monoselenide
300	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
301	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
302	BO	boron monoxide	²Σ	C_∞v
303	BO^-	boron monoxide anion	¹Σ	C_∞v
304	AlO	Aluminum monoxide	²Σ	C_∞v
305	BS	boron sulfide	²Σ	C_∞v
306	AlS	Aluminum sulfide	²Σ	C_∞v
307	ScO	Scandium monoxide	²Σ	C_∞v
308	GaO	Gallium monoxide	²Σ	C_∞v
309	GaS	Gallium monosulfide
310	CO	Carbon monoxide	³Π	C_∞v
311	CO^-	carbon monoxide anion	²Π	C_∞v
312	CO⁺	carbon monoxide cation	²Σ	C_∞v
313	TiO	Titanium monoxide	³Δ	C_∞v
314	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
315	SiSe⁺	Silicon Monoselenide cation
316	NO	Nitric oxide	²Π	C_∞v
317	NO^-	nitric oxide anion	³Σ	C_∞v
318	NS	Mononitrogen monosulfide	²Π	C_∞v
319	NS^-	nitrogen sulfide anion	³Σ	C_∞v
320	PO	Phosphorus monoxide	²Π	C_∞v
321	PS	phosphorus sulfide	²Σ	C_∞v
322	VO	Vanadium monoxide	⁴Σ^-
323	AsO	Arsenic monoxide	²Π	C_∞v
324	NSe	Nitrogen monoselenide	²Π	C_∞v
325	AsS	Arsenic monosulfide	²Π	C_∞v
326	PSe	Phosphorus monoselenide	²Π	C_∞v
327	AsSe	Arsenic monoselenide	²Π	C_∞v
328	O₂	Oxygen diatomic	³Σ_g	D_∞h
329	O₂^-	oxygen diatomic anion	²Π	D_∞h
330	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
331	SO	Sulfur monoxide	³Σ	C_∞v
332	SO	Sulfur monoxide	¹Σ	C_∞v
333	SO⁺	sulfur monoxide cation	²Π	C_∞v
334	S₂	Sulfur diatomic	³Σ_g	D_∞h
335	SeO	Selenium monoxide	³Σ	C_∞v
336	Se₂	Selenium diatomic	³Σ_g	D_∞h
337	BeOH	beryllium monohydroxide	²A^'	C_s
338	MgOH	magnesium hydroxide	²A^'	C_s
339	COH	Hydroxymethylidyne
340	HCO	Formyl radical	²A^'	C_s
341	HCO^-	formyl anion	¹A^'	C_s
342	HCO⁺	Formyl cation	¹Σ	C_∞v
343	HCS	Thioformyl radical	²A^'	C_s
344	HCS⁺	Thioformyl cation	¹Σ	C_∞v
345	HNO	Nitrosyl hydride	¹A^'	C_s
346	HNO^-	Nitrosyl hydride anion	²A^"	C_s
347	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
348	NOH	Hydroxyimidogen	³A^"	C_s
349	NOH⁺	O-protonated nitric oxide	²A^'	C_s
350	HNS^-	Sulfur imide anion	²A	C_s
351	HO₂	Hydroperoxy radical	²A^"	C_s
352	HO₂^-	Hydroperoxy anion	¹A^'	C_s
353	HO₂⁺	Hydroperoxy cation	³A^"	C_s
354	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
355	SOH	Sulfur Hydroxide
356	SOH⁺	Sulfur Monoxide, protonated
357	HS₂	Thiosulfeno radical	²A^"	C_s
358	H₂CO^-	formaldehyde anion	²A^'	C_s
359	H₂CO^-	formaldehyde anion
360	H₂CO⁺	formaldehyde cation	²B₂	C_2v
361	H₂CS^-	thioformaldehyde anion
362	H₂CS^-	thioformaldehyde anion
363	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
364	H₂NO	nitroxide	²B₁	C_2v
365	H₂NO	nitroxide	²A^'	C_s
366	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
367	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
368	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
369	CH₂OH	Hydroxymethyl radical	²A	C₁
370	CH₃O	Methoxy radical	²A^'	C₁
371	CH₃O⁺	Methoxy cation	³A₁	C_3v
372	CH₃S	thiomethoxy	²A^'	C_3v
373	NH₂OH⁺	Hydroxylamine cation
374	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
375	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
376	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
377	CH₃OH⁺	Methyl alcohol cation	²A	C₁
378	CH₃SH⁺	Methanethiol cation	²A^"	C_s
379	NH₂OH₂⁺	protonated hydroxylamine
380	NH₃OH⁺	N-protonated hydroxylamine
381	NaF⁺	sodium fluoride cation	²Σ	C_∞v
382	LiF^-	lithium fluoride anion	²Σ	C_∞v
383	LiF⁺	lithium fluoride cation	²Π	C_∞v
384	BeF	Beryllium monofluoride	²Σ	C_∞v
385	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
386	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
387	BeCl	beryllium monochloride	²Σ	C_∞v
388	MgF	Magnesium monofluoride	²Σ	C_∞v
389	MgCl	magnesium monochloride	²Σ	C_∞v
390	CaCl	calcium monochloride	²Σ	C_∞v
391	TiCl	Titanium Monochloride	⁴Σ	C_∞v
392	ZnF	Zinc monofluoride	²Σ	C_∞v
393	ZnCl	Zinc monochloride	²Σ	C_∞v
394	CaBr	Calcium monobromide
395	GaF	Gallium monofluoride	¹Σ	C_∞v
396	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
397	GaCl	Gallium monochloride	¹Σ_G	C_∞v
398	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
399	CF	Fluoromethylidyne	²Π	C_∞v
400	CF^-	carbon monofluoride anion	³Σ	C_∞v
401	CCl	carbon monochloride	²Π	C_∞v
402	SiF	silicon monofluoride	²Π	C_∞v
403	SiF^-	silicon monofluoride anion	³Σ	C_∞v
404	SiCl	Clorosilylidyne	²Π	C_∞v
405	CBr	Carbon monobromide	²Π	C_∞v
406	GeF	Germanium monofluoride	²Π	C_∞v
407	GeCl	Germanium monochloride	²Π	C_∞v
408	SiBr	Silicon monobromide	²Π	C_∞v
409	SiBr⁺	Silicon monobromide cation
410	NF	nitrogen fluoride	³Σ	C_∞v
411	NCl	nitrogen monochloride	³Σ	C_∞v
412	NCl^-	nitrogen monochloride anion	²Π	C_∞v
413	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
414	PF	phosphorus monofluoride	³Σ	C_∞v
415	AsF	Arsenic monofluoride	³Σ	C_∞v
416	NBr	nitrogen monobromide	³Σ^-	C_∞v
417	AsCl	Arsenic monochloride	³Σ	C_∞v
418	PBr	Phosphorus monobromide
419	FO	Oxygen monofluoride	²Π	C_∞v
420	ClO	Monochlorine monoxide	²Π	C_∞v
421	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
422	SF	Monosulfur monofluoride	²Π	C_∞v
423	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
424	SCl	sulfur monochloride	²Π	C_∞v
425	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
426	BrO	Bromine monoxide	²Π	C_∞v
427	BrO⁺	Bromine monoxide cation
428	SeF	Selenium monofluoride	²Π	C_∞v
429	SBr	Sulfur monobromide radical
430	SBr⁺	Sulfur monobromide cation
431	SeCl	Selenium monochloride	²Π	C_∞v
432	SeBr	Selenium monobromide
433	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
434	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
435	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
436	ClF⁺	clorine monofluoride cation	²Π	C_∞v
437	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
438	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
439	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
440	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
441	HCF	Fluoromethylene	³A^"	C_s
442	HCCl	Chloromethylene	³A^"	C_s
443	CHBr	bromomethylene	³A^"	C_s
444	HOCl⁺	hypochlorous acid cation
445	HOBr⁺	Hypobromous acid cation	²A^"	C_s
446	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
447	CH₂Br	bromomethyl radical	²A^'	C_s
448	CH₂Br	bromomethyl radical
449	CH₂F	fluoromethyl radical	²A	C_s
450	CH₂Cl	chloromethyl radical	²A^'	C_s
451	CH₂Cl	chloromethyl radical	²B₁	C_2v
452	CH₃F⁺	methyl fluoride cation
453	CH₃Cl⁺	Methyl chloride cation
454	CH₃Br	methyl bromide	¹A₁	C_3v
455	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
456	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
457	Li₃	Lithium trimer	²B₂	C_2v
458	C₃	carbon trimer	¹A₁	C_2v
459	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
460	C₃H₃	cyclopropenyl radical	²A^'	C_s
461	C₃H₃	Propargyl radical	²B₁	C_s
462	C₃H₃^-	Propargyl anion	¹A^'	C_s
463	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
464	C₃H₅	Allyl radical	²A₂	C_2v
465	C₃H₅	Allyl radical	²A^"	C_s
466	CH₃CHCH	1-propenyl radical	²A^'	C_s
467	C₃H₇	n-Propyl radical	²A^"	C₁
468	CH₃CHCH₃	Isopropyl radical	²A	C₂
469	LiCN	lithium cyanide	¹Σ	C*V LiCN
470	ZnCN	Zinc monocyanide	²Σ	C_∞v
471	ZnNC	Zinc isocyanide	²Σ	C_∞v
472	CNN	Diazocarbene
473	NCN	Cyanoimidogen	³Σ_g	D_∞h
474	N₃	azide radical	²Π_g	D_∞h
475	N₃⁺	azide cation	³Σ_g	D_∞h
476	N₃⁺	azide cation	³Σ	C_∞v
477	HCCN	cyanomethylene	³A^"	C_s
478	HCCN	cyanomethylene	³Σ	C_∞v
479	HCCN	cyanomethylene
480	HN₃	hydrogen azide	¹A^'	C_s
481	HN₃⁺	Hydrazoic acid cation
482	CH₃CN^-	acetonitrile anion	²E	C_3v
483	CH₃CN^-	acetonitrile anion	²A^'	C_s
484	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
485	HCNCH₂⁺	2H-Azirine cation
486	CH₂CHNH	vinylazine	²A^"	CS cis
487	CH₂CHNH	vinylazine	²A^"	CS trans
488	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
489	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
490	LiO₂	Lithium dioxide
491	NaO₂	Sodium superoxide
492	CCO	Dicarbon monoxide	³Σ	C_∞v
493	NCO	isocyanato radical	²Π	C_∞v
494	SCN	thiocyanato radical	²Π	C_∞v
495	BO₂	Boron dioxide	²A^'	D_∞h
496	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
497	N₂O^-	Nitrous oxide anion	²A^'	C_s
498	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
499	CO₂^-	Carbon dioxide anion	²A₁	C_2v
500	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
501	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
502	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
503	CS₂^-	Carbon disulfide anion	²A₁	C_2v
504	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
505	NO₂	Nitrogen dioxide	²A₁	C_2v
506	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
507	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
508	NSO	sulfinyl amidogen
509	PO₂	Phosphorus dioxide	²A₁	C_2v
510	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
511	SNO	Nitrogen oxide sulfide
512	AsO₂	Aresenic dioxide	²A₁	C_2v
513	O₃^-	Ozone anion	²B₁	C_2v
514	O₃⁺	Ozone cation	²A₁	C_2v
515	SO₂	Sulfur dioxide	¹A₁	C_2v
516	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
517	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
518	S₃^-	Sulfur trimer anion	²B₁	C_2v
519	S₃⁺	Sulfur trimer cation	²B₂	C_2v
520	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
521	HCCO	ketenyl radical	²Π	C_∞v
522	HCCO	ketenyl radical	²A^"	C_s
523	HCOO	formate neutral radical	²A^'	C_s
524	HOCO	Hydrocarboxyl radical	¹A^'	cis
525	HOCO	Hydrocarboxyl radical	¹A^'	trans
526	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
527	HNO₂⁺	nitrous acid cation	²A^'	C_s
528	CH₂CO⁺	Ketene cation	²B₁	C_2v
529	CH₂CHO	Vinyloxy radical	²A^"	C_s
530	CH₃CO	Acetyl radical	²A^'	C_s
531	CH₂OOH	CH2OOH radical	²A	C₁
532	CH₃OO	methylperoxy radical	²A^"	C_s
533	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
534	C₂H₄O⁺	ethylene oxide cation
535	CH₃CHO⁺	acetaldehyde cation
536	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
537	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
538	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
539	CH₃CH₂O	Ethoxy radical	²A^'	C_s
540	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
541	CH₃OCH₂	methoxymethyl radical	²A	C₁
542	CH₃CH₂SH	ethanethiol	¹A^'	C_s
543	CH₃SCH₃⁺	dimethyl sulfide cation
544	CuF₂	Copper difluoride	²Π_g	D_∞h
545	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
546	FCO	Carbonyl fluoride	²A^'	C_s
547	ClCO	carbonyl monochloride	²A^'	C_s
548	BF₂	Boron difluoride radical	²A₁	C_2v
549	BrNO	Nitrosyl bromide	¹A^'	C_s
550	CF₂	Difluoromethylene	³B₁	C_2v
551	CF₂^-	Difluoromethylene anion	²B₁	C_2v
552	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
553	SiF₂	Silicon difluoride	¹A₁	C_2v
554	SiF₂	Silicon difluoride	³B₁	C_2v
555	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
556	CCl₂^-	dichloromethylene anion	²B₁	C_2v
557	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
558	CBr₂	dibromomethylene	³B₁	C_2v
559	FOO	Dioxygen monofluoride radical	²A^"	C_s
560	FOO⁺	Fluorine dioxide cation
561	ClOO	chloroperoxy radical	²A^"	C_s
562	ClOO⁺	chloroperoxy cation	¹A^'	C_s
563	OClO	Chlorine dioxide	²B₁	D_∞h
564	OClO^-	Chlorine dioxide anion	¹A^'	C_s
565	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
566	ClSO	Sulfur chloride oxide	²A^"	C_s
567	ClS₂	Sulfur chloride	²A^"	C_s
568	BrOO	Bromine dioxide
569	OBrO	Bromine dioxide radical	²B₁	C_2v
570	NF₂	Difluoroamino radical	²B₁	C_2v
571	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
572	PF₂	Phosphorus difluoride
573	SF₂^-	sulfur difluoride anion	²A^'	C_s
574	SF₂^-	sulfur difluoride anion	²Π	D_∞h
575	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
576	BrOCl	Bromine hypochlorite	¹A^'	C_s
577	BrOBr	Bromine oxide	¹A₁	C_2v
578	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
579	HFCO⁺	formyl fluoride cation	²A^'	C_s
580	COHCl	Formyl chloride	¹A^'	C_s
581	COHBr	Formyl bromide	¹A^'	C_s
582	CHCl₂	dichloromethyl radical	²B₁	C_2v
583	CHCl₂	dichloromethyl radical	²A^'	C_s
584	CHF₂	difluoromethyl radical	²A	C_s
585	CHFCl	Chlorofluoromethyl radical
586	CHBr₂	dibromomethyl radical
587	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
588	CH₃OCl	methyl hypochlorite	¹A^'	C_s
589	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
590	CHClCH₃	1-chloroethyl radical	²A	C₁
591	C₄	Carbon tetramer	³Σ_g	D_∞h
592	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
593	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
594	C(CH₃)₃	Tert-butyl radical	²A^"	C_3v
595	CH₂CH(CH₃)₂	Isobutyl radical	²A^'	C₁
596	CH₃CHCH₂CH₃	2-Butyl radical	¹A	C₁
597	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
598	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
599	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
600	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
601	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
602	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
603	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
604	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
605	HSO₃	Hydroxysulfonyl radical	²A	C₁
606	C₂H₂O₂	Ethanedial	¹A_g	C_2h
607	CH₃COCH₂	Acetonyl radical	²A^"	C_s
608	C₂H₅OO	ethylperoxy radical	²A^'	C_s
609	CH₃COCH₃^-	acetone anion	²A^'	C_s
610	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
611	BrONO	Bromine nitrite	¹A^'	CS trans
612	CF₂O⁺	Carbonic difluoride cation
613	COFCl	Carbonic chloride fluoride	¹A^'	C_s
614	COBr₂	Carbonic dibromide	¹A₁	C_2v
615	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
616	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
617	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
618	BF₃⁺	boron trifluoride cation	²B₂	C_2v
619	BF₃⁺	boron trifluoride cation
620	BCl₃⁺	Boron Trichloride cation
621	CF₃	Trifluoromethyl radical	²A₁	C_3v
622	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
623	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
624	CF₂Cl	difluorochloromethyl radical
625	SiF₃	Silicon trifluoride radical	²A₁	C_3v
626	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
627	CFCl₂	dichlorofluoromethyl radical
628	CCl₃	Trichloromethyl radical	²A₁	C₃
629	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
630	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
631	CBr₃	tribromomethyl radical
632	NF₃	Nitrogen trifluoride	¹A₁	C_3v
633	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
634	NF₃^-	Nitrogen trifluoride anion	²A	C_s
635	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
636	SF₃	Sulfur trifluoride	²A^'	C_s
637	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
638	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
639	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
640	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
641	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
642	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
643	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
644	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
645	C₅H₇	cyclopentenyl radical	²A₂	C_2v
646	C₅H₁₁	2-Methylbut-2-yl radical	¹A	C₁
647	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
648	C₄H₄N	pyrrolide radical	²A₂	C_2v
649	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
650	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
651	CBr₄	Carbon tetrabromide	¹A₁	T_d
652	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
653	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
654	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
655	C₆H₅	phenyl	²A₁	C_2v
656	SF₅	Sulfur pentafluoride	²A₁	C_4v
657	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
658	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
659	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
660	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
661	C₆H₁₃N	cyclohexanamine	¹A	C₁
662	C₆H₅O	phenoxy radical	²B₁	C_2v
663	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
664	C₆H₁₂O₂	Methyl pivalate	¹A	C₁
665	C₆H₁₂O₂	Hexanoic acid	¹A₁	C_s
666	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
667	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h

Species NOT done yet

count	Species	Name	file name
1	D^-	Deuterium atom anion	d-
2	D⁺	Deuterium atom cation	d+
3	D₂	Deuterium diatomic	d2
4	H₂	Hydrogen diatomic	h2
5	HD	Deuterium hydride	hd
6	H₃⁺	hydrogen trimer cation	h3+
7	He	Helium atom	he
8	HeH	Helium hydride	heh
9	Li^-	Lithium atom anion	li-
10	Na⁺	Sodium atom cation	na+
11	LiH	Lithium Hydride	lih
12	LiH^-	lithium hydride anion	lih-
13	NaH	sodium hydride	nah
14	NaH^-	sodium hydride anion	nah-
15	Be	Beryllium atom	be
16	Be^-	Beryllium atom anion	be-
17	Mg	Magnesium atom	mg
18	Ca	Calcium atom	ca
19	Zn	Zinc atom	zn
20	Zn^-	Zinc atom anion	zn-
21	Zn⁺	Zinc atom cation	zn+
22	BeH^-	berylium monohydride anion	beh-
23	BeH⁺	beryllium monohydride cation	beh+
24	MgH^-	magnesium monohydride anion	mgh-
25	MgH⁺	magnesium monohydride cation	mgh+
26	CaH⁺	Calcium monohydride cation	cah+
27	ZnH⁺	Zinc, protonated	znh+
28	BeH₂	beryllium dihydride	beh2
29	MgH₂	magnesium dihydride	mgh2
30	CaH₂	Calcium Hydride	cah2
31	ZnH₂	Zinc hydride	znh2
32	B^-	Boron atom anion	b-
33	BH	Boron monohydride	bh
34	BH^-	boron monohydride anion	bh-
35	BH⁺	boron monohydride cation	bh+
36	AlH	aluminum monohydride	alh
37	AlH^-	aluminum monohydride anion	alh-
38	AlH⁺	aluminum monohydride cation	alh+
39	ScH	Scandium monohydride	sch
40	GaH	Gallium monohydride	gah
41	BH₂⁺	Boron dihydride cation	bh2+
42	BH₃	boron trihydride	bh3
43	BH₃^-	boron trihydride anion	bh3-
44	AlH₃	aluminum trihydride	alh3
45	ScH₃	Scandium trihydride	sch3
46	GaH₃	Gallium trihydride	gah3
47	AlH₄^-	Aluminum tetrahydride anion	alh4-
48	C^-	Carbon atom anion	c-
49	Ti	Titanium atom	ti
50	Ti^-	Titanium atom anion	ti-
51	Ti⁺	Titanium atom cation	ti+
52	Sn	Tin atom	sn
53	Sn⁺	Tin cation	sn+
54	CH^-	methylidyne anion	ch-
55	CH⁺	Methylidyne cation	ch+
56	SiH⁺	silicon monohydride cation	sih+
57	GeH⁺	Germaniun monohyrdide cation	geh+
58	SiH₂	silicon dihydride	sih2
59	CD₄	methane-d4	cd4
60	CH₂D₂	methane-d2	ch2d2
61	CH₃D	methane-d	ch3d
62	CH₄	Methane	ch4
63	CH₄^-	Methane anion	ch4-
64	CH₄⁺	Methane cation	ch4+
65	CHD₃	methane-d3	chd3
66	SiH₂D₂	silane-d2	sih2d2
67	SiH₄	Silane	sih4
68	SiH₄⁺	Silane cation	sih4+
69	GeH₄	Germane	geh4
70	SnH₄	Stannane	snh4
71	SiH₅⁺	Silane, protonated	sih5+
72	Sb	Antimony atom	sb
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	NH₂^-	amino anion	nh2-
79	AsH₂⁺	Arsenic dihydride cation	ash2+
80	ND₃	Ammonia-d3	nd3
81	NH₃	Ammonia	nh3
82	PH₃	Phosphine	ph3
83	AsH₃	Arsine	ash3
84	SbH₃	Stibine	sbh3
85	AsH₄⁺	Arsonium	ash4+
86	NH₄⁺	ammonium cation	nh4+
87	PH₄⁺	phosphonium cation	ph4+
88	Cr	Chromium atom	cr
89	Te	Tellurium atom	te
90	Te⁺	Tellurium atom cation	te+
91	OH^-	hydroxide anion	oh-
92	HSe^-	selenium monohydride anion	hse-
93	TeH	Telluryl radical	teh
94	D₂O	Deuterium oxide	d2o
95	H₂O	Water	h2o
96	HDO	Water-d1	hdo
97	D₂S	Hydrogen sulfide-d2	d2s
98	H₂S	Hydrogen sulfide	h2s
99	H₂Te	Hydrogen Telluride	h2te
100	H₃O⁺	hydronium cation	h3o+
101	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
102	Mn	Manganese atom	mn
103	I	Iodine atom	iodine
104	I^-	Iodine atom anion	iodine-
105	I⁺	Iodine atom cation	iodine+
106	DF	Hydrofluoric acid-d	df
107	HF	Hydrogen fluoride	hf
108	DCl	Hydrochloric acid-d	dcl
109	HCl	Hydrogen chloride	hcl
110	HI	Hydrogen iodide	hi
111	HI⁺	Hydrogen iodide cation	hi+
112	H₂F⁺	dihydrogen fluoride cation	h2f+
113	H₂Br⁺	protonated hydrogen bromide	h2br+
114	H₂I⁺	Iodonium	h2i+
115	Ne	Neon atom	ne
116	Ar	Argon atom	ar
117	Fe	Iron atom	fe
118	Kr	Krypton atom	kr
119	Xe	Xenon atom	xe
120	HeLi⁺	Helium Lithium cation	heli+
121	NeH⁺	neon hydrogen cation	neh+
122	KrH⁺	Protonated Krypton	krh+
123	XeH⁺	Xenon, protonated	xeh+
124	H₂Ar	H2 Ar dimer	h2ar
125	Co	Cobalt atom	cobalt
126	Ni	Nickel atom	ni
127	Li₂	Lithium diatomic	li2
128	Li₂^-	lithium diatomic anion	li2-
129	Li₂⁺	lithium diatomic cation	li2+
130	NaLi	lithium sodium	lina
131	NaLi^-	lithium sodium anion	lina-
132	NaLi⁺	lithium sodium cation	lina+
133	LiK	Lithium Potassium	lik
134	Na₂	Sodium diatomic	na2
135	NaK	Sodium Potassium	nak
136	K₂	Potassium diatomic	k2
137	Cu₂	Copper diatomic	cu2
138	Be₂	Beryllium diatomic	be2
139	Be₂⁺	Beryllium diatomic cation	be2+
140	BeMg	Beryllium Magnesium	bemg
141	Mg₂	Magnesium diatomic	mg2
142	Mg₂^-	magnesium diatomic anion	mg2-
143	Mg₂⁺	magnesium diatomic cation	mg2+
144	Ca₂	Calcium diatomic	ca2
145	LiAl	Lithium Aluminum	lial
146	NaAl	Sodium aluminum	naal
147	B₂^-	Boron diatomic anion	b2-
148	Al₂	Aluminum diatomic	al2
149	Al₂^-	aluminum diatomic anion	al2-
150	Al₂⁺	aluminum diatomic cation	al2+
151	LiBH₄	Lithium borohydride	libh4
152	B₂H₄	Diborane(4) D2d	b2h4
153	HBHHBH	Diborane(4) C2V	hbhhbh
154	B₂H₆	Diborane	b2h6
155	Al₂H₆	dialane	al2h6
156	Ga₂H₆	digallane	ga2h6
157	BC⁺	boron monocarbide cation	bc+
158	C₂	Carbon diatomic	c2
159	C₂^-	carbon diatomic anion	c2-
160	Si₂^-	silcon diatomic anion	si2-
161	Si₂⁺	silcon diatomic cation	si2+
162	C₂H^-	Ethynyl anion	c2h-
163	C₂H⁺	Ethynyl cation	c2h+
164	C₂H₂	Acetylene	c2h2
165	Si₂H₂	disilyne	si2h2
166	CuCH₃	monomethyl copper	cuch3
167	CH₂BH	methyleneborane	ch2bh
168	C₂H₃^-	vinyl anion	c2h3-
169	C₂H₄	Ethylene	c2h4
170	CH₂SiH₂	silaethylene	ch2sih2
171	Si₂H₄	Disilene	si2h4
172	CH₃BH₂	methylborane	ch3bh2
173	C₂H₅^-	Ethyl anion	c2h5-
174	C₂H₅⁺	Ethyl cation	c2h5+
175	C₂H₆	Ethane	c2h6
176	CH₃SiH₃	methyl silane	ch3sih3
177	Si₂H₆	disilane	si2h6
178	GeH₃CH₃	methyl germane	geh3ch3
179	C₂H₇⁺	Ethane, protonated	c2h7+
180	BeN⁺	Beryllium mononitride cation	ben+
181	BN^-	boron nitride anion	bn-
182	AlN^-	aluminum mononitride anion	aln-
183	AlN⁺	aluminum mononitride cation	aln+
184	BN⁺	boron nitride cation	bn+
185	CN^-	cyanide anion	cn-
186	CN⁺	Cyano cation	cn+
187	CP^-	carbon monophosphide anion	cp-
188	CP⁺	carbon monophosphide cation	cp+
189	SiN^-	silicon mononitride anion	sin-
190	SiN⁺	silicon mononitride cation	sin+
191	TiN	Titanium mononitride	tin
192	N₂	Nitrogen diatomic	n2
193	PN	Phosphorus mononitride	pn
194	PN^-	phosphorus nitride anion	pn-
195	PN⁺	phosphorus nitride cation	pn+
196	P₂	Phosphorus diatomic	p2
197	P₂^-	phosphorus diatomic anion	p2-
198	P₂⁺	phosphorus diatomic cation	p2+
199	AsN	Arsenic mononitride	asn
200	AsP	Arsenic monophosphide	asp
201	SbN	Antimony nitride	sbn
202	As₂	Arsenic diatomic	as2
203	HNC	hydrogen isocyanide	hnc
204	HCN	Hydrogen cyanide	hcn
205	HCN^-	Hydrogen cyanide anion	hcn-
206	HCP	Phosphaethyne	hcp
207	NNH⁺	Dinitrogen monohydride cation	nnh+
208	HPO	Hydrogen phosphorus oxide	hpo
209	LiNH₂	lithium amide	linh2
210	HBNH	Boranimine	hbnh
211	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
212	HCNH⁺	N-protonated HCN	hcnh+
213	H₂NN	Isodiazene	h2nn
214	N₂H₂	(E)-diazene	n2h2
215	N₂H₂	(Z)-Diazene	n2h2z
216	CH₂NH	Methanimine	ch3n
217	CHNH₂	aminomethylene	chnh2
218	CH₂PH	Phosphaethene	ch3p
219	BH₂NH₂	Boranamine	bh2nh2
220	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
221	N₂H₄	Hydrazine	n2h4
222	P₂H₄	Diphosphine	p2h4
223	CH₃NH₂	methyl amine	ch3nh2
224	CH₃PH₂	Methyl phosphine	ch3ph2
225	SiH₃NH₂	Silane, amino	sih3nh2
226	N₂H₅⁺	protonated hydrazine	n2h5+
227	BH₃PH₃	borane phosphine	bh3ph3
228	BH₃NH₃	borane ammonia	bh3nh3
229	CH₃NH₃⁺	protonated methylamine	ch3nh3+
230	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
231	NH₃NH₃	Ammonia Dimer	nh3nh3
232	N₂H₇⁺	ammonia ammonium dimer	n2h7+
233	NaO^-	sodium oxide anion	nao-
234	NaO⁺	sodium oxide cation	nao+
235	BeO	beryllium oxide	beo
236	BeS	beryllium sulfide	bes
237	MgO	magnesium oxide	mgo
238	MgO^-	magnesium oxide anion	mgo-
239	MgO⁺	magnesium oxide cation	mgo+
240	CaO	Calcium monoxide	cao
241	MgS	magnesium sulfide	mgs
242	MgS^-	magnesium sulfide anion	mgs-
243	MgS⁺	magnesium sulfide cation	mgs+
244	CaS	Calcium sulfide	cas
245	ZnO	zinc monoxide	zno
246	ZnS	Zinc sulfide	zns
247	BeS^-	Beryllium monosulfide anion	bes-
248	BeS⁺	Beryllium monosulfide cation	bes+
249	AlO^-	Aluminum monoxide anion	alo-
250	AlO⁺	aluminum monoxide cation	alo+
251	BS^-	boron monosulfide anion	bs-
252	BS⁺	boron monosulfide cation	bs+
253	AlS^-	aluminum monosulfide anion	als-
254	AlS⁺	aluminum monosulfide cation	als+
255	BO⁺	boron monoxide cation	bo+
256	CO	Carbon monoxide	co
257	CS	carbon monosulfide	cs
258	CS^-	carbon monosulfide anion	cs-
259	CS⁺	carbon monosulfide cation	cs+
260	SiO	Silicon monoxide	sio
261	SiO^-	silicon monoxide anion	sio-
262	SiO⁺	silicon monoxide cation	sio+
263	SiS	silicon monosulfide	sis
264	SiS^-	silicon monosulfide anion	sis-
265	SiS⁺	silicon monosulfide cation	sis+
266	CSe	Carbon monoselenide	cse
267	CSe^-	Carbon monoselenide anion	cse-
268	CSe⁺	Carbon monoselenide cation	cse+
269	GeO	Germanium monoxide	geo
270	GeS	Germanium monosulfide	ges
271	SiSe	Silicon Monoselenide	sise
272	GeSe	Germanium monoselenide	gese
273	NO⁺	nitric oxide cation	no+
274	NS⁺	nitrogen sulfide cation	ns+
275	PO^-	phosphorus monoxide anion	po-
276	PO⁺	phosphorus monoxide cation	po+
277	PS^-	phosphorus monosulfide anion	ps-
278	PS⁺	phosphorus monosulfide cation	ps+
279	O₂^--	dioxygen dianion	o2--
280	SO^-	sulfur monoxide anion	so-
281	S₂^-	sulfur diatomic anion	s2-
282	S₂⁺	sulfur diatomic cation	s2+
283	SeO^-	selenium monoxide anion	seo-
284	SeO⁺	selenium monoxide cation	seo+
285	SeS	Selenium monosulfide	ses
286	SeS^-	selenium monosulfide anion	ses-
287	SeS⁺	selenium monosulfide cation	ses+
288	TeO	Tellurium monoxide	teo
289	Se₂^-	selenium diatomic anion	se2-
290	Se₂⁺	selenium diatomic cation	se2+
291	Te₂	Tellurium diatomic	te2
292	LiOH	lithium hydroxide	lioh
293	NaOH	sodium hydroxide	naoh
294	KOH	Potassium hydroxide	koh
295	CaOH	Calcium monohydroxide	caoh
296	HBO	Boron hydride oxide	hbo
297	HBS	hydrogen boron sulfide	hbs
298	COH⁺	Carbon Monoxide, protonated	coh+
299	HCS^-	Thioformyl anion	hcs-
300	HNS	Sulfur imide	hns
301	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
302	H₂CO	Formaldehyde	h2co
303	HOCH	hydroxycarbene	hoch
304	H₂CS	Thioformaldehyde	h2cs
305	H₂CSe	Selenoformaldehyde	h2cse
306	H₂O₂	Hydrogen peroxide	h2o2
307	H₂OO	water oxide	h2oo
308	HOSH	hydrogen thioperoxide	hosh
309	H₂S₂	Disulfane	h2s2
310	H₂Se₂	hydrogen diselenide	h2se2
311	CH₂OH⁺	hydroxymethyl cation	ch2oh+
312	CH₃O^-	methoxy anion	ch3o-
313	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
314	NH₂OH	hydroxylamine	nh2oh
315	NH₃O	Ammonia Oxide	nh3o
316	H₂POH	Phosphinous acid	h2poh
317	H₃PO	Phosphine oxide	h3po
318	NH₂SH	Thiohydroxylamine	nh2sh
319	NH₃S	sulfidoazane	nh3s
320	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
321	CH₃OH	Methyl alcohol	ch3oh
322	CH₃SH	Methanethiol	ch3sh
323	SiH₃OH	silanol	sih3oh
324	CH₃SeH	Methane selenol	ch3seh
325	H₂OH₂O	water dimer	h2oh2o
326	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
327	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
328	H₂ONH₃	Water Ammonia Dimer	h2onh3
329	H₅O₂⁺	Dihydroxonium ion	h5o2+
330	LiF	lithium fluoride	lif
331	LiCl	lithium chloride	licl
332	LiCl^-	lithium chloride anion	licl-
333	LiCl⁺	lithium chloride cation	licl+
334	NaF	sodium fluoride	naf
335	NaF^-	sodium fluoride anion	naf-
336	KF	Potassium Fluoride	kf
337	NaCl	Sodium Chloride	nacl
338	NaCl^-	sodium chloride anion	nacl-
339	NaCl⁺	sodium chloride cation	nacl+
340	KCl	Potassium Chloride	kcl
341	CuF	Copper monofluoride	cuf
342	LiBr	Lithium Bromide	libr
343	LiBr^-	lithium bromide anion	libr-
344	LiBr⁺	lithium bromide cation	libr+
345	CuCl	Copper monochloride	cucl
346	NaBr	Sodium Bromide	nabr
347	NaBr^-	sodium bromide anion	nabr-
348	NaBr⁺	sodium bromide cation	nabr+
349	KBr	Potassium Bromide	kbr
350	LiI	Lithium Iodide	lii
351	NaI	Sodium Iodide	nai
352	KI	Potassium Iodide	ki
353	MgF^-	magnesium fluoride anion	mgf-
354	MgF⁺	magnesium fluoride cation	mgf+
355	CaF	Calcium monofluoride	caf
356	MgCl^-	magnesium monochloride anion	mgcl-
357	MgCl⁺	magnesium monochloride cation	mgcl+
358	ZnF^-	Zinc monofluoride anion	znf-
359	ZnF⁺	Zinc monofluoride cation	znf+
360	BeCl^-	beryllium monochloride anion	becl-
361	BeCl⁺	beryllium monochloride cation	becl+
362	BF	Boron monofluoride	bf
363	BF^-	Boron monofluoride anion	bf-
364	BF⁺	Boron monofluoride cation	bf+
365	AlF	Aluminum monofluoride	alf
366	AlF^-	Aluminum monofluoride anion	alf-
367	AlF⁺	Aluminum monofluoride cation	alf+
368	BCl	boron monochloride	bcl
369	BCl^-	boron monochloride anion	bcl-
370	BCl⁺	boron monochloride cation	bcl+
371	AlCl	Aluminum monochloride	alcl
372	AlCl^-	aluminum monochloride anion	alcl-
373	AlCl⁺	aluminum monochloride cation	alcl+
374	ScF	Scandium monofluoride	scf
375	BBr	Boron monobromide	bbr
376	AlBr	Aluminum monobromide	albr
377	AlI	Aluminum monoiodide	ali
378	GaBr	Gallium monobromide	gabr
379	CF⁺	carbon monofluoride cation	cf+
380	CCl^-	carbon monochloride anion	ccl-
381	CCl⁺	carbon monochloride cation	ccl+
382	SiF⁺	silicon monofluoride cation	sif+
383	SiCl^-	silicon monochloride anion	sicl-
384	SiCl⁺	silicon monochloride cation	sicl+
385	GeF⁺	Germanium monofluoride cation	gef+
386	GeCl⁺	Germanium monochloride cation	gecl+
387	NF^-	nitrogen monofluorine anion	nf-
388	NF⁺	nitrogen monofluoirde cation	nf+
389	PF^-	phosphorus monofluoride anion	pf-
390	PF⁺	phosphorus monofluoride cation	pf+
391	PCl	phosphorus chloride	pcl
392	PCl^-	phosphorus monochloride anion	pcl-
393	PCl⁺	phosphorus monochloride cation	pcl+
394	SbF	Antimony monofluoride	sbf
395	SbCl	Antimony monochloride	sbcl
396	FO^-	flourine oxide anion	fo-
397	FO⁺	fluorine monoxide cation	fo+
398	ClO^-	chlorine monoxide anion	clo-
399	SF^-	sulfur monofluoride anion	sf-
400	SCl^-	sulfur monochloride anion	scl-
401	BrO^-	Bromine monoxide anion	bro-
402	IO	Iodine monoxide	io
403	BrCl	Bromine monochloride	brcl
404	F₂	Fluorine diatomic	f2
405	ClF^-	clorine monofluoride anion	clf-
406	Cl₂	Chlorine diatomic	cl2
407	BrF	Bromine monofluoride	brf
408	BrF^-	bromine fluoride anion	brf-
409	BrF⁺	bromine fluoride cation	brf+
410	BrCl^-	bromine chloride anion	brcl-
411	BrCl⁺	bromine chloride cation	brcl+
412	IF	Iodine monofluoride	if
413	Br₂	Bromine diatomic	br2
414	ICl	Iodine monochloride	icl
415	IBr	Iodine monobromide	ibr
416	I₂	Iodine diatomic	i2
417	I₂⁺	Iodine diatomic cation	i2+
418	HCF	Fluoromethylene	hcf
419	HCCl	Chloromethylene	hccl
420	HSiF	fluorosilylene	hsif
421	HSiCl	Chlorosilylene	hsicl
422	HSiBr	monobromosilylene	hsibr
423	CHBr	bromomethylene	chbr
424	HOF	Hypofluorous acid	hfo
425	DOCl	Hypochlorous acid-d	docl
426	HOCl	hypochlorous acid	hocl
427	HOBr	Hypobromous acid	hobr
428	HOI	Hypoiodous acid	hoi
429	F₂H⁺	Fluorine, protonated	f2h+
430	FHF	Hydrogen difluoride	fhf
431	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
432	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
433	Cl₂H⁺	Chlorine, protonated	cl2h+
434	CH₂F⁺	fluoromethyl cation	ch2f+
435	CH₂Cl⁺	chloromethyl cation	ch2cl+
436	NH₂F	monofluoroamine	nh2f
437	NH₂Cl	chloramine	nh2cl
438	H₂F₂	Hydrogen fluoride dimer	h2f2
439	CD₃F	methylfluoride-d3	cd3f
440	CH₃F	Methyl fluoride	ch3f
441	CD₃Cl	methyl chloride d3	cd3cl
442	CH₃Cl	Methyl chloride	ch3cl
443	SiH₃F	monofluorosilane	sih3f
444	SiH₃Cl	chlorosilane	sih3cl
445	GeH₃F	monofluorogermane	geh3f
446	GeH₃Cl	monochlorogermane	geh3cl
447	SiH₃Br	bromosilane	sih3br
448	CH₃I	methyl iodide	ch3i
449	SiH₃I	Silyl Iodide	sih3i
450	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
451	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
452	NH₄Cl	Ammonium chloride	nh4cl
453	LiNe⁺	Lithium Neon cation	line+
454	Ne₂	Neon diatomic	ne2
455	Ar₂	Argon diatomic	ar2
456	Li₃⁺	Lithium trimer cation	li3+
457	SiC₂	Silicon dicarbide	sic2
458	C₃H₃⁺	cyclopropenyl cation	cpr+
459	C₃H₄	cyclopropene	cprop
460	CH₂CCH₂	allene	allene
461	CH₃CCH	propyne	propyne
462	C₃H₅⁺	Allyl cation	allyl+
463	Zn(CH₃)₂	dimethyl zinc	dmz
464	C₃H₆	Cyclopropane	c3h6
465	CH₂CHCH₃	Propene	propene
466	C₃H₇⁺	cyclopropane, protonated	c3h7+
467	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
468	C₃H₈	Propane	propane
469	SiH₂(CH₃)₂	dimethylsilane	dms
470	Si₃H₈	trisilane	si3h8
471	NaCN	Sodium Cyanide	nacn
472	KCN	Potassium cyanide	kcn
473	CuCN	Copper cyanide	cucn
474	AlCN	Aluminum monocyanide	alcn
475	AlNC	Aluminum isocyanide	alnc
476	CN₂	3H-Diazirin-3-ylidene	cn2
477	N₃^-	azide anion	n3-
478	HCNN	diazomethyl radical	hcnn
479	HNCNH	diiminomethane	hncnh
480	CH₂N₂	diazirine	ch2n2
481	CH₂NN	diazomethane	ch2nn
482	NH₂CN	cyanamide	cyanamide
483	HNNNH⁺	1,2-Triazadienium	n2h3+
484	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
485	CH₃CN	Acetonitrile	ch3cn
486	CH₃NC	methyl isocyanide	ch3nc
487	CHNCH₂	2H-Azirine	c157164
488	CHNHCH	1H-Azirine	chnhch
489	H₂CCNH	Ethenimine	ch2cnh
490	H₂CNCH	methyleneaminomethylene	ch2nch
491	HCCNH₂	Ethynamine	hccnh2
492	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
493	NCNH₃⁺	Cyanamide, protonated	ncnh3+
494	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
495	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
496	NHCHNH₂	aminomethanimine	cn2h4
497	C₂H₅N	Aziridine	c2h5n
498	CH₂CHNH₂	aminoethene	aminoethene
499	CH₂NCH₃	N-methylmethanimine	nmm
500	CH₃CHNH	ethanimine	ethanimine
501	NH₂BHNH₂	diaminoborane	nh2bhnh2
502	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
503	C₂H₆N⁺	aziridine, protonated	c2h6n+
504	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
505	CH₃CH₂NH₂	Ethylamine	etam
506	CH₃NHCH₃	Dimethylamine	ch3nhch3
507	CH₃PHCH₃	dimethylphosphine	ch3phch3
508	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
509	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
510	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
511	Li₂O	dilithium oxide	li2o
512	Li₂S	dilithium sulfide	li2s
513	Na₂O	disodium monoxide	na2o
514	Na₂S	Sodium sulfide	na2s
515	CNO^-	fulminate	cno-
516	NCO^-	cyanate	nco-
517	SCN^-	thiocyanide anion	scn-
518	BO₂^-	Boron dioxide anion	bo2-
519	N₂O	Nitrous oxide	n2o
520	NNS	Nitrogen sulfide	nns
521	PPO	Phosphorus oxide phosphide	ppo
522	CO₂	Carbon dioxide	co2
523	OCS	Carbonyl sulfide	cos
524	SiO₂	silicon dioxide	sio2
525	CS₂	Carbon disulfide	cs2
526	TiO₂	Titanium dioxide	tio2
527	SiS₂	Silicon disulfide	sis2
528	GeO₂	Germanium dioxide	geo2
529	OCSe	Carbonyl selenide	ocse
530	SCSe	Carbon sulfide selenide	scse
531	GeS₂	Germanium disulfide	ges2
532	CSe₂	Carbon diselenide	cse2
533	SCTe	Carbon sulfide Telluride	scte
534	PO₂^-	Phosphorus dioxide anion	po2-
535	O₃	Ozone	o3
536	SSO	Disulfur monoxide	sso
537	S₃	Sulfur trimer	s3
538	SeO₂	Selenium dioxide	seo2
539	TeO₂	Tellurium Dioxide	teo2
540	CS₂H⁺	Carbon disulfide, protonated	cs2h+
541	HCNO	fulminic acid	hcno
542	HNCO	Isocyanic acid	hnco
543	HOCN	cyanic acid	hocn
544	HNCS	Isothiocyanic acid	hncs
545	HSCN	thiocyanic acid	hscn
546	HCO₂^-	formate anion	hco2-
547	HNNO	nitrosoazane	hnno
548	HNNO⁺	Nitrous oxide, N-protonated	hnno+
549	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
550	HNO₂	Nitrous acid	hno2
551	O₃H⁺	protonated ozone	o3h+
552	SO₂H⁺	protonated sulfur dioxide	so2h+
553	C₂H₂O	Oxirene	oxirene
554	CH₂CO	Ketene	ch2co
555	HCCOH	ethynol	hccoh
556	CH₂CS	Thioketene	ch2cs
557	Be(OH)₂	Beryllium hydroxide	beo2h2
558	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
559	NH₂NO	Nitrosamide	nh2no
560	CH₂O₂	Dioxirane	diox
561	H₂COO	Dioxymethyl radical	h2coo
562	H₂COO⁺	dioxymethyl cation	h2coo+
563	HCOOH	Formic acid	ch2o2
564	H₂O₃	Hydrogen trioxide	h2o3
565	HSSSH	trisulfane	hsssh
566	NaOCH₃	Sodium methoxide	naoch3
567	CH₂BOH	hydroxy(methylene)borane	ch2boh
568	BH₃CO	Borane carbonyl	bh3co
569	CH₃BO	Borane, methyloxo-	ch3bo
570	CH₂COH⁺	ketene, protonated	ch2coh+
571	CH₃CO^-	Acetyl anion	ch3co-
572	CH₃CO⁺	acetyl cation	ch3co+
573	CH₂NOH	formaldoxime	ch2noh
574	CH₃NO	nitrosomethane	ch3no
575	CHONH₂	formamide	formamide
576	CNOH₃	1,2-oxaziridine	cnoh3
577	HOCHNH	hydroxymethylimine	hochnh
578	CHSNH₂	thioformamide	chsnh2
579	NHCHSH	Methanimidothioic acid	nhchsh
580	CH₃OO^-	methylperoxy anion	ch3oo-
581	C₂H₄O	Ethylene oxide	c2h4o
582	CH₂CHOH	ethenol	ch2choh
583	CH₃CHO	Acetaldehyde	ch3cho
584	C₂H₄S	Thiirane	thiirane
585	CH₂CHSH	Ethenethiol	ch2chsh
586	CH₃CHS	Thioacetaldehyde	ch3chs
587	H₂CONH₂⁺	protonated formamide	h2conh2+
588	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
589	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
590	CH₂(OH)₂	methanediol	ch2o2h2
591	CH₃OOH	Methyl peroxide	ch3ooh
592	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
593	HSCH₂SH	Methanedithiol	ch4s2
594	H₂OH₂CO	water formaldehyde dimer	h2oh2co
595	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
596	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
597	NH₂CH₂OH	aminomethanol	nh2ch2oh
598	CH₃CH₂OH	Ethanol	etoh
599	CH₃OCH₃	Dimethyl ether	meome
600	CH₃SCH₃	Dimethyl sulfide	mesme
601	CH₃SeCH₃	dimethylselenide	dmse
602	CH₃OHH₂O	methanol water dimer	ch3ohh2o
603	H₂OCH₃OH	water methanol dimer	h2och3oh
604	CNF	iso cyanogen fluoride	cnf
605	FCN	Cyanogen fluoride	fcn
606	ClCN	chlorocyanogen	clcn
607	BrCN	Cyanogen bromide	brcn
608	ICN	Cyanogen iodide	icn
609	FBO	Boron monofluoride monoxide	fbo
610	BeF₂	Beryllium fluoride	bef2
611	MgF₂	Magnesium fluoride	mgf2
612	BeCl₂	Beryllium chloride	becl2
613	MgCl₂	Magnesium dichloride	mgcl2
614	CaCl₂	Calcium Chloride	cacl2
615	ZnCl₂	Zinc dichloride	zncl2
616	BeBr₂	Beryllium bromide	bebr2
617	CaBr₂	Calcium dibromide	cabr2
618	CaF₂	Calcium difluoride	caf2
619	FCO⁺	Carbonyl fluoride cation	fco+
620	FNO	Nitrosyl fluoride	fno
621	ClNO	Nitrosyl chloride	clno
622	FNS	Thionitrosyl fluoride	fns
623	FSN	Thiazyl fluoride	fsn
624	OPCl	Phosphorus oxychloride	opcl
625	INO	Nitrosyl iodide	ino
626	CF₂	Difluoromethylene	cf2
627	CFCl	chlorofluoromethylene	cfcl
628	CCl₂	dichloromethylene	ccl2
629	SiCl₂	Dichlorosilylene	sicl2
630	GeF₂	Germanium difluoride	gef2
631	GeCl₂	Germanium dichloride	gecl2
632	CBr₂	dibromomethylene	cbr2
633	PF₂⁺	Phosphorus difluoride cation	pf2+
634	FClO	chlorosyl fluoride	fclo
635	F₂O	Difluorine monoxide	f2o
636	ClOF	Chlorine hypofluorite	clof
637	SF₂	sulfur difluoride	sf2
638	Cl₂O	Dichlorine monoxide	cl2o
639	SCl₂	Sulfur dichloride	scl2
640	SeF₂	Selenium difluoride	sef2
641	SeCl₂	Selenium Dichloride	secl2
642	SBr₂	Sulfur dibromide	sbr2
643	SeBr₂	Selenium dibromide	sebr2
644	F₃^-	trifluoride anion	f3-
645	Cl₃^-	trichloride anion	cl3-
646	Br₃^-	tribromide anion	br3-
647	I₃^-	triiodide	i3-
648	SFCl	Sulfur chloride fluoride	sfcl
649	HCCF	Fluoroacetylene	hccf
650	HCCCl	Chloroacetylene	hcccl
651	HCCBr	bromoacetylene	hccbr
652	HFCO	formyl fluoride	hfco
653	BHF₂	Difluoroborane	bhf2
654	BHCl₂	Borane, dichloro-	bhcl2
655	CHF₂⁺	difluoromethyl cation	chf2+
656	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
657	CHCl₂⁺	dichloromethyl cation	chcl2+
658	HOClO	Chlorous acid	hoclo
659	NHF₂	difluoramine	nhf2
660	NHCl₂	dichloroamine	nhcl2
661	CH₂F₂	Methane, difluoro-	ch2f2
662	CH₂FCl	fluorochloromethane	ch2fcl
663	SiH₂F₂	difluorosilane	sih2f2
664	CH₂Cl₂	Methylene chloride	ch2cl2
665	CH₂BrF	Methane, bromofluoro-	ch2fbr
666	CH₂BrCl	Methane, bromochloro-	ch2clbr
667	CH₂FI	fluoroiodomethane	ch2fi
668	CH₂Br₂	dibromomethane	ch2br2
669	CH₂ClI	chloroiodomethane	ch2cli
670	CH₂BrI	bromoiodomethane	ch2bri
671	CH₂I₂	Diiodomethane	ch2i2
672	SiH₂Cl₂	dichlorosilane	sih2cl2
673	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
674	CH₂CHF⁺	fluoroethene cation	ch2chf+
675	C₂H₃Cl	Ethene, chloro-	ch2chcl
676	C₂H₃Br	vinyl bromide	c2h3br
677	C₂H₃I	Vinyl iodide	c2h3i
678	CH₂FOH	fluoromethanol	ch2foh
679	C₂H₅F	fluoroethane	c2h5f
680	CH₃CH₂Cl	Ethyl chloride	c2h5cl
681	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
682	C₂H₅Br	Ethyl bromide	etbr
683	C₂H₅I	Ethyl iodide	c2h5i
684	KrF₂	Krypton difluoride	krf2
685	XeF₂	Xenon difluoride	xef2
686	B₄H₁₀	Tetraborane(10)	b4h10
687	C₄⁺	Carbon tetramer cation	c4+
688	C₄H₂	Diacetylene	c4h2
689	C₂H₃CCH	1-Buten-3-yne	c2h3cch
690	C₄H₄	cyclobutadiene	cbd
691	C₄H₄	Tetrahedrane	c4h4
692	H₂CCCCH₂	Butatriene	h2cccch2
693	C₄H₆	1-Methylcyclopropene	c3100047
694	C₄H₆	Cyclobutene	c822355
695	C₄H₆	Methylenecyclopropane	c6142730
696	CH₂CCHCH₃	1,2-Butadiene	butad12
697	CH₂CHCHCH₂	1,3-Butadiene	c106990
698	CH₃CCCH₃	2-Butyne	c503173
699	CHCCH₂CH₃	1-Butyne	c107006
700	C₄H₈	methylcyclopropane	mcp
701	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
702	CH₂CHCH₂CH₃	1-Butene	bute1
703	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
704	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
705	B(CH₃)₃	trimethylborane	bme3
706	Al(CH₃)₃	trimethyl aluminum	tma
707	CH₃CH(CH₃)CH₃	Isobutane	isobutane
708	CH₃CH₂CH₂CH₃	Butane	butane
709	SiH(CH₃)₃	trimethylsilane	trimsi
710	Li₃N	trilithium nitride	li3n
711	C₂N₂	Cyanogen	c2n2
712	P₄	Phosphorus tetramer	p4
713	As₄	Arsenic tetramer	as4
714	HCCCN	Cyanoacetylene	hcccn
715	H₂CNCN	cyanamide, methylene	ch2ncn
716	HNCCNH	Ethenediimine	hnccnh
717	C₃H₃N	acrylonitrile	ch2chcn
718	CH₃N₃	methyl azide	ch3n3
719	NH₂CCNH₂	Diaminoacetylene	daa
720	NH₂CH₂CN	Aminoacetonitrile	aan
721	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
722	C₂H₅CN	ethyl cyanide	c2h5cn
723	CH₅N₃	Guanidine	guanidine
724	C₄H₆	Bicyclo[1.1.0]butane	c157335
725	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
726	H₂NCHCHNH₂	diaminoethylene	dae
727	CH₆N₃⁺	guanidinium	ch6n3+
728	C₃H₇N	Cyclopropylamine	cpram
729	CH₇N₃	triaminomethane	tam
730	C₃H₇N	Azetidine	azet
731	C₄H₈	cyclobutane	cbutane
732	C₂H₈N₂	Ethylenediamine	ethdiam
733	CH₃NHNHCH₃	dimethyl hydrazine	dmh
734	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
735	N(CH₃)₃	Trimethylamine	trimeam
736	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
737	P(CH₃)₃	trimethylphosphine	tmp
738	N(SiH₃)₃	trisilylamine	tsa
739	As(CH₃)₃	trimethyl arsine	tmas
740	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
741	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
742	Li₂O₂	dilithium dioxide	li2o2
743	Na₂O₂	disodium dioxide	na2o2
744	K₂O₂	dipotassium dioxide	k2o2
745	C₃O	Tricarbon monoxide	c3o
746	B₂O₂	Diboron dioxide	b2o2
747	ONNO	NO dimer	onno
748	S₂N₂	Disulfur dinitride	s2n2
749	CO₃	Carbon trioxide	co3
750	CO₃^--	carbonate	co3--
751	CS₃^--	Carbonotrithioate	cs3--
752	NO₃	Nitrogen trioxide	no3
753	NO₃^-	nitrate anion	no3-
754	SO₃	Sulfur trioxide	so3
755	SO₃^--	Sulfate dianion	so3--
756	SeO₃	selenium trioxide	seo3
757	S₄	Sulfur tetramer	s4
758	TeO₃	Tellurium trioxide	teo3
759	HCO₃^-	bicarbonate anion	hco3-
760	HNO₃	Nitric acid	hno3
761	NH₂NO₂	nitramide	nh2no2
762	C₂H₂CO	cyclopropenone	c2h2co
763	C₃H₂O	Propadienal	c3h2o
764	HCCCHO	2-propynal	hcccho
765	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
766	H₂CO₃	Carbonic acid	h2co3
767	H₂CS₃	thiocarbonic acid	h2cs3
768	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
769	H₂SO₃	Sulfurous acid	h2so3
770	C₂H₃NO	Nitrosoethylene	c2h3no
771	CH₃NCO	methylisocyante	ch3nco
772	HOCH₂CN	cyanomethanol	hoch2cn
773	CH₃COO^-	acetate anion	ch3coo-
774	CH₃NO₂	Methane, nitro-	ch3no2
775	CH₃ONO	Methyl nitrite	ch3ono
776	NH₂COOH	Carbamic acid	nh2cooh
777	H₃BO₃	Boric acid	h3bo3
778	H₃AlO₃	Aluminum hydroxide	h3alo3
779	H₃CO₃⁺	carbonic acid, protonated	h3co3+
780	C₃H₄O	2-Propyn-1-ol	c107197
781	C₃H₄O	allenol	c9000071
782	C₃H₄O	Cyclopropanone	cpone
783	C₃H₄O	Methylketene	c6004440
784	CH₂CHCHO	Acrolein	c3h4o
785	NH₂CONH₂	Urea	urea
786	NH₂CONH₂⁺	Urea cation	urea+
787	NH₂CSNH₂	Thiourea	thiourea
788	C₂H₄O₂	1,3-dioxetane	c2h4o2
789	CH₃COOH	Acetic acid	ch3cooh
790	CH₃OCHO	methyl formate	ch3ocho
791	CHOCH₂OH	hydroxy acetaldehyde	haa
792	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
793	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
794	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
795	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
796	HCOOHH₂O	Formic acid water dimer	hcoohh2o
797	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
798	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
799	CH₃C(OH)=NH	Ethaninidic acid	eia
800	CH₃CHNOH	Acetaldoxime	acetaldoxime
801	CH₃CONH₂	Acetamide	acetamide
802	HCONHCH₃	N-methylformamide	nmfa
803	CH₃CSNH₂	Ethanethioamide	ch3csnh2
804	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
805	H₂NCOHNH₂⁺	urea, protonated	ureah+
806	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
807	C₃H₅OH	Cyclopropanol	cproh
808	C₃H₆O	2-Propen-1-ol	c107186
809	C₃H₆O	Acetone enol	enol
810	C₃H₆O	Oxetane	oxetane
811	C₃H₆O	Propylene oxide	prox
812	CH₃CH₂CHO	Propanal	propanal
813	CH₃COCH₃	Acetone	acetone
814	C₃H₆S	Thietane	thietane
815	C₃H₆S	Thiirane, methyl-	methiirane
816	CH₃CSCH₃	Thioacetone	ch3csch3
817	C₂H₆O₂	1,2-Ethanediol	ethdiol
818	CH₃OOCH₃	dimethylperoxide	dmp
819	CH₃SOCH₃	Dimethyl sulfoxide	dmso
820	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
821	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
822	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
823	HOCH₂CH₂NH₂	monoethanolamine	mea
824	C₃H₇OH	1-Propanol	proh
825	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
826	CH₃OC₂H₅	Ethane, methoxy-	etome
827	C₃H₇SH	1-Propanethiol	prsh
828	CH₃CHSHCH₃	2-Propanethiol	isoprsh
829	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
830	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
831	Li₂F₂	Lithium fluoride dimer	li2f2
832	Na₂F₂	Sodium Fluoride Dimer	na2f2
833	Na₂Cl₂	Disodium dichloride	na2cl2
834	C₂F₂	difluoroacetylene	c2f2
835	C₂Cl₂	dichloroacetylene	c2cl2
836	FNO₂	Nitryl fluoride	fno2
837	FONO	Nitrosyl hypofluorite	fono
838	ClNO₂	Nitryl chloride	clno2
839	ClONO	chlorine nitrite	clono
840	N₂F₂	(Z)-Difluorodiazene	n2f2_z
841	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
842	CF₂O	Carbonic difluoride	f2co
843	CCl₂O	Phosgene	cl2co
844	Cl₂CS	Thiophosgene	cl2cs
845	BF₃	Borane, trifluoro-	bf3
846	AlF₃	Aluminum trifluoride	alf3
847	BClF₂	Chlorodifluoroborane	bclf2
848	AlF₂Cl	Aluminum chloride difluoride	alclf2
849	ScF₃	Scandium trifluoride	ScF3
850	AlFCl₂	Aluminum dichloride fluoride	alcl2f
851	BCl₃	Borane, trichloro-	bcl3
852	GaF₃	Gallium trifluoride	gaf3
853	AlCl₃	Aluminum trichloride	alcl3
854	GaCl₃	Gallium trichloride	gacl3
855	BBr₃	Boron tribromide	bbr3
856	AlBr₃	Aluminum Bromide	albr3
857	ClO₃	Chlorine trioxide	clo3
858	ClO₃^-	chlorate anion	clo3-
859	BrO₃^-	Bromate anion	bro3-
860	SiCl₃	trichlorosilyl radical	sicl3
861	SiCl₃⁺	trichlorosilyl cation	sicl3+
862	FOOF	Perfluoroperoxide	foof
863	ClO₂F	Chloryl fluoride	clo2f
864	F₂SO	Thionyl Fluoride	f2so
865	ClOOCl	Dichlorine dioxide	cloocl
866	FSSF	Difluorodisulfane	fssf
867	S₂F₂	Thio-thionyl fluoride	s2f2
868	SOCl₂	thionyl chloride	socl2
869	SSCl₂	Thiothionyl chloride	sscl2
870	SeOCl₂	selenium oxychloride	seocl2
871	PF₃	Phosphorus trifluoride	pf3
872	NCl₃	nitrogen trichloride	ncl3
873	AsF₃	Arsenic trifluoride	asf3
874	PCl₃	Phosphorus trichloride	pcl3
875	SbF₃	Antimony Trifluoride	sbf3
876	AsCl₃	Arsenous trichloride	ascl3
877	SbCl₃	Antimony Trichloride	sbcl3
878	NBr₃	Nitrogen Tribromide	nbr3
879	PBr₃	Phosphorus tribromide	pbr3
880	AsBr₃	Arsenic tribromide	asbr3
881	NI₃	Nitrogen triiodide	ni3
882	PI₃	Phosphorus triiodide	pi3
883	ClSSCl	Disulfur dichloride	s2cl2
884	ClF₃	Chlorine trifluoride	clf3
885	BrF₃	Bromine trifluoride	brf3
886	IF₃	iodone trifluoride	if3
887	HClO₃	Chloric Acid	hclo3
888	CHF₃	Methane, trifluoro-	chf3
889	CHF₂Cl	difluorochloromethane	chf2cl
890	SiHF₃	trifluorosilane	sihf3
891	CHFCl₂	fluorodichloromethane	chfcl2
892	CDCl₃	trichloromethane-d	cdcl3
893	CHCl₃	Chloroform	chcl3
894	SiHCl₃	Trichlorosilane	sihcl3
895	CHFClBr	fluorochlorobromomethane	chfclbr
896	CHF₂I	difluoroiodomethane	chf2i
897	CHBr₂F	dibromofluoromethane	chbr2f
898	CHFClI	fluorochloroiodomethane	chfcli
899	CHCl₂I	dichloroiodomethane	chcl2i
900	CHBr₃	bromoform	chbr3
901	CHI₃	Iodoform	chi3
902	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
903	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
904	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
905	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
906	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
907	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
908	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
909	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
910	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
911	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
912	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
913	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
914	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
915	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
916	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
917	CH₃COF	Acetyl fluoride	ch3cof
918	CH₃COCl	Acetyl Chloride	ch3cocl
919	C₂H₄F₂	1,2-difluoroethane	c2h4f2
920	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
921	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
922	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
923	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
924	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
925	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
926	CH₂CFCH₃	2-fluoropropene	2fpro
927	CH₂CHCH₂F	Allyl Fluoride	allylf
928	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
929	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
930	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
931	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
932	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
933	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
934	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
935	CH₂FCH₂CH₃	1-Fluoropropane	prf1
936	CH₃CHFCH₃	2-Fluoropropane	prf2
937	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
938	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
939	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
940	B₅H₉	pentaborane9	b5h9
941	C₅H₄	pentatetraene	ptrene
942	C₅H₅^-	cylopentadienyl anion	c5h5-
943	C₅H₆	1,3-Cyclopentadiene	c542927
944	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
945	C₅H₆	3-Penten-1-yne, (E)-	c2004695
946	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
947	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
948	C₅H₆	Cyclopropylacetylene	c6746947
949	C₅H₆	Propellane	propellane
950	C₅H₇	1,3-pentadienyl radical	pdyl
951	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
952	C₅H₈	1,2-Pentadiene	c591957
953	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
954	C₅H₈	1,3-Pentadiene, (E)-	c2004708
955	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
956	C₅H₈	1,4-Pentadiene	c591935
957	C₅H₈	1-pentyne	a1pentyne
958	C₅H₈	2,3-Pentadiene	c591968
959	C₅H₈	Bicyclo[1.1.1]pentane	bcp
960	C₅H₈	Cyclobutane, methylene-	c1120565
961	C₅H₈	Cyclopentene	c142290
962	C₅H₈	Ethenylcyclopropane	c693867
963	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
964	C₅H₁₀	1-Butene, 2-methyl-	c563462
965	C₅H₁₀	2-Butene, 2-methyl-	c513359
966	C₅H₁₀	2-Pentene, (E)-	c646048
967	C₅H₁₀	2-Pentene, (Z)-	c627203
968	C₅H₁₀	Cyclopentane	c287923
969	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
970	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
971	C₅H₁₂	Butane, 2-methyl-	buta2
972	C₅H₁₂	Pentane	pentane
973	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
974	Si(CH₃)₄	tetramethylsilane	tms
975	N₂O₃	Dinitrogen trioxide	n2o3
976	C₃H₂N₂	Malononitrile	c3h2n2
977	CH₂N₄	1H-Tetrazole	1htz
978	C₃H₃N₂^-	imidizolyl anion	im-
979	C₂H₃N₃	1H-1,2,4-Triazole	c288880
980	C₄H₄N^-	pyrrolide anion	c4h4n-
981	C₃H₄N₂	1H-Imidazole	1himidaz
982	C₃H₄N₂	1H-Pyrazole	1hpyraz
983	C₃H₄N₂	2H-Imidazole	imid2h
984	C₃H₄N₂	4H-Imidazole	imid4h
985	C₄H₅N	(E)-2-Butenenitrile	c627269
986	C₄H₅N	(Z)-2-Butenenitrile	c1190767
987	C₄H₅N	2H-pyrrole	pyrrole2
988	C₄H₅N	3H-pyrrole	pyrrole3
989	C₄H₅N	Cyclopropanecarbonitrile	c5500210
990	C₄H₅N	Pyrrole	pyrrole
991	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
992	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
993	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
994	C₄H₆N⁺	pyrrole, protonated	ppyr
995	C₃H₆N₂	3-Aminopropionitrile	c151188
996	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
997	CH₃CH₂CH₂CN	Butanenitrile	c109740
998	C₅H₈	Bicyclo[2.1.0]pentane	c185944
999	C₅H₈	Spiropentane	c157404
1000	C₄H₉N	Cyclobutylamine	cbam
1001	C₄H₉N	Pyrrolidine	pyrrolidine
1002	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1003	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1004	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1005	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1006	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1007	NH(C₂H₅)₂	diethylamine	dea
1008	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1009	C₃O₂	Carbon suboxide	c3o2
1010	B₂O₃	diboron trioxide	b2o3
1011	MgCO₃	Magnesium Carbonate	mgco3
1012	BeCO₃	Beryllium Carbonate	beco3
1013	CaCO₃	Calcium Carbonate	caco3
1014	ONONO	Nitrosyl nitrite	onono
1015	PO₄^---	phosphate	po4---
1016	SO₄^--	sulfate	so4--
1017	HOONO₂	peroxy nitric acid	hoono2
1018	HSO₄^-	bisulfate anion	hso4-
1019	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1020	C₃H₂O₂	Propiolic acid	c3h2o2
1021	CHOCOOH	oxo acetic acid	oaa
1022	CHOOCHO	diformyl ether	choocho
1023	H₂SO₄	Sulfuric acid	h2so4
1024	H₂SeO₄	Selenic acid	h2seo4
1025	C₃H₃NO	Isoxazole	isox
1026	C₃H₃NO	Oxazole	oxazole
1027	C₃H₃NS	Thiazole	thiazole
1028	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1029	CH₃NO₃	Methyl nitrate	ch3no3
1030	H₃PO₄	Phosphoric Acid	h3po4
1031	C₄H₄O	Furan	furan
1032	C₄H₄O⁺	Furan cation	furan+
1033	CH₃COCCH	3-butyn-2-one	c1423605
1034	C₄H₄S	Thiophene	furans
1035	C₄H₄Se	selenophene	c4h4se
1036	C₃H₄O₂	β–Propiolactone	beta
1037	C₃H₄O₂	2-Propenoic acid	propenoic2
1038	C₃H₄O₂	Methyl glyoxal	megly
1039	C₃H₄O₂	propanedial	propanedial
1040	C₃H₄O₂	propenalol	propenalol
1041	HOCHCCHOH	allenediol	aldiol
1042	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1043	C₂H₄O₃	trioxolane124	triox
1044	HOCH₂COOH	Hydroxyacetic acid	hac
1045	CH₂CHCONH₂	Acrylamide	c79061
1046	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1047	CH₅N₃S	Hydrazinecarbothioamide	c79196
1048	H₂NCH₂COOH	Glycine	glycine
1049	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1050	C₄H₆O	cis-2-butenal	butenal2c
1051	C₄H₆O	Cyclobutanone	cbutone
1052	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1053	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1054	CH₂CHOCHCH₂	Vinyl ether	vinylether
1055	CHOCHCHCH₃	2-Butenal	butenal2
1056	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1057	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1058	CH₂CHSCHCH₂	Divinyl sulfide	divis
1059	C₂H₆N₂O	Urea, methyl-	c598505
1060	C₃H₆O₂	1,3-Dioxolane	dioxolane
1061	CH₃CH₂COOH	Propanoic Acid	propanoic
1062	CH₃COOCH₃	methyl acetate	aame
1063	HCOOC₂H₅	Ethyl formate	faee
1064	C₂H₆O₂S	Dimethyl sulfone	c67710
1065	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1066	C₃H₇NO	dimethylformamide	dmf
1067	C₃H₇NO	Propanamide	propanam
1068	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1069	C₄H₈O	Cyclobutanol	c2919235
1070	C₄H₈O	Furan, tetrahydro-	thf
1071	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1072	CH₃COCH₂CH₃	2-Butanone	buta2one
1073	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1074	CHOCH₂CH₂CH₃	Butanal	butanal
1075	C₄H₈S	Thiophene, tetrahydro-	tht
1076	C₃H₈O₂	1,3-Propanediol	c504632
1077	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1078	C₃H₈O₂	Methane, dimethoxy-	c109875
1079	C₃H₈O₂	Propylene glycol	c57556
1080	C₃H₈S₂	1,3-Propanedithiol	c109808
1081	C₄H₁₀O	1-Butanol	butanol1
1082	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1083	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1084	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1085	C₄H₁₀O	Ethoxy ethane	etoet
1086	C₄H₁₀O	Methyl propyl ether	meopr
1087	C₄H₁₀O	Propane, 2-methoxy-	c598538
1088	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1089	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1090	C₂H₅SC₂H₅	Diethyl sulfide	etset
1091	C₄H₉SH	1-Butanethiol	bush
1092	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1093	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1094	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1095	FNO₃	Fluorine nitrate	fno3
1096	ClONO₂	Chlorine nitrate	clono2
1097	BrONO₂	Bromine nitrate	brono2
1098	TiCl₄	Titanium tetrachloride	ticl4
1099	ClO₄^-	perchlorate anion	clo4-
1100	BF₄^-	tetrafluoroboron anion	bf4-
1101	ClFO₃	Perchloryl fluoride	clfo3
1102	SO₂F₂	Sulfuryl fluoride	so2f2
1103	SO₂Cl₂	Sulfuryl chloride	so2cl2
1104	F₃NO	Nitrogen trifluoride oxide	f3no
1105	F₃PO	Phosphoryl fluoride	pf3o
1106	Cl₃PO	Phosphoryl chloride	pcl3o
1107	CF₄	Carbon tetrafluoride	cf4
1108	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1109	SiF₄	Silicon tetrafluoride	sif4
1110	CF₂Cl₂	difluorodichloromethane	cf2cl2
1111	TiF₄	Titanium tetrafluoride	tif4
1112	CFCl₃	Trichloromonofluoromethane	cfcl3
1113	CF₃Br	Bromotrifluoromethane	cf3br
1114	GeF₄	Germanium tetrafluoride	gef4
1115	CCl₄	Carbon tetrachloride	ccl4
1116	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1117	SiCl₄	Silane, tetrachloro-	sicl4
1118	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1119	CF₃I	trifluoroiodomethane	cf3i
1120	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1121	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1122	GeCl₄	Germanium Tetrachloride	gecl4
1123	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1124	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1125	CCl₃I	trichloroiodomethane	ccl3i
1126	CFBr₃	fluorotribromomethane	cfbr3
1127	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1128	CBr₃Cl	tribromochloromethane	cbr3cl
1129	CF₂I₂	difluorodiiodomethane	cf2i2
1130	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1131	SiBr₄	Silicon tetrabromide	sibr4
1132	CBr₃I	tribromoiododmethane	cbr3i
1133	GeBr₄	Germanium tetrabromide	gebr4
1134	CI₄	tetraiodomethane	ci4
1135	SiI₄	silicon tetraiodide	sii4
1136	ClOF₃	Chlorine trifluoride oxide	clof3
1137	SF₄	Sulfur tetrafluoride	sf4
1138	SeF₄	Selenium tetrafluoride	sef4
1139	SCl₄	Sulfur tetrachloride	scl4
1140	C₂HF₃	Trifluoroethylene	c2hf3
1141	CHClCCl₂	Trichloroethylene	chclccl2
1142	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1143	HClO₄	perchloric acid	hclo4
1144	HSO₃F	Fluorosulfonic acid	hso3f
1145	CF₃OH	trifluoromethanol	cf3oh
1146	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1147	CHClCCHCl	1,3-dichloroallene	chclcchcl
1148	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1149	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1150	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1151	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1152	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1153	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1154	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1155	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1156	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1157	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1158	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1159	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1160	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1161	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1162	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1163	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1164	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1165	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1166	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1167	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1168	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1169	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1170	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1171	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1172	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1173	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1174	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1175	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1176	C₄H₉F	1-fluorobutane	butaf1
1177	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1178	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1179	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1180	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1181	XeF₄	Xenon tetrafluoride	xef4
1182	C₂H₂N₂O	Furazan	furazan
1183	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1184	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1185	C₆H₂	hexatriyne	c6h2
1186	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1187	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1188	C₆H₄	Benzyne	benzyne
1189	C₆H₅^-	phenyl anion	phenyl-
1190	C₆H₆	Prismane	prismane
1191	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1192	C₆H₆	2,4-Hexadiyne	hexadiyne
1193	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1194	C₆H₆	Benzene	benzene
1195	C₆H₆	Benzvalene	bv
1196	C₆H₆	Dewar Benzene	dewar
1197	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1198	C₆H₆	Trimethylenecycopropane	tmcp
1199	C₆H₆⁺	Benzene cation	c6h6+
1200	C₆H₇⁺	benzene, protonated	c6h7+
1201	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1202	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1203	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1204	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1205	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1206	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1207	C₆H₈	3-Methylenecyclopentene	c930267
1208	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1209	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1210	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1211	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1212	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1213	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1214	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1215	C₆H₁₀	1,5-Hexadiene	c592427
1216	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1217	C₆H₁₀	1-Hexyne	hexyne1
1218	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1219	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1220	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1221	C₆H₁₀	2-Hexyne	c764352
1222	C₆H₁₀	3-Hexyne	hexyne3
1223	C₆H₁₀	cyclohexene	cyclohexene
1224	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1225	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1226	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1227	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1228	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1229	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1230	C₆H₁₂	(E)-2-Hexene	e2hexene
1231	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1232	C₆H₁₂	(E)-hex-3-ene	e3hexene
1233	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1234	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1235	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1236	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1237	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1238	C₆H₁₂	3-methylenepentane	c760214
1239	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1240	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1241	C₆H₁₂	Cyclohexane	cyclohexane
1242	C₆H₁₂	Cyclopentane, methyl-	c96377
1243	C₆H₁₂	Ethylcyclobutane	c4806615
1244	C₆H₁₂	hex-1-ene	hexene1
1245	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1246	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1247	C₆H₁₄	Hexane	hexane
1248	C₆H₁₄	Pentane, 2-methyl-	penta2
1249	C₆H₁₄	Pentane, 3-methyl-	penta3
1250	C₄N₂	2-Butynedinitrile	c4n2
1251	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1252	C₄H₂N₂	Fumaronitrile	c4h2n2
1253	C₂H₂N₄	sym-tetrazine	ttz
1254	C₃H₃N₃	1,3,5-Triazine	triazine135
1255	CH₃N₅	5-Aminotetrazole	c4418615
1256	C₄H₄N₂	1,3-Diazine	diazine13
1257	C₄H₄N₂	Pyrazine	pyrazine
1258	C₄H₄N₂	Pyridazine	pyridazine
1259	C₄H₄N₂	Succinonitrile	c110612
1260	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1261	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1262	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1263	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1264	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1265	C₅H₅N	Pyridine	pyridine
1266	B₃N₃H₆	borazine	borazine
1267	C₆H₆	Fulvene	fulvene
1268	C₅H₆N⁺	Pyridinium	c5h6n
1269	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1270	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1271	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1272	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1273	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1274	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1275	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1276	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1277	C₅H₉N	Pentanenitrile	c110598
1278	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1279	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1280	C₅H₁₁N	Cyclopentanamine	cypentam
1281	C₅H₁₁N	Piperidine	piper
1282	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1283	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1284	Li₂CO₃	Lithium Carbonate	li2co3
1285	Na₂CO₃	Sodium Carbonate	na2co3
1286	C₂O₄^--	oxalate anion	c2o4
1287	MgSO₄	Magnesium Sulfate	mgso4
1288	N₂O₄	Dinitrogen tetroxide	n2o4
1289	C₃H₂O₃	vinylene carbonate	vica
1290	C₂H₂O₄	Oxalic Acid	oxalic
1291	C₂H₃NO₃	Oxamic acid	oxamic
1292	C₄H₄O₂	2(5H)-Furanone	furanone
1293	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1294	C₂H₄N₂O₂	Oxalamide	oxalamide
1295	C₂H₄N₂S₂	Ethanedithioamide	c79403
1296	C₂H₄CO₃	Ethylene carbonate	etco3
1297	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1298	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1299	C₂H₄O₄	Formic acid dimer	fadimer
1300	C₄H₅NO	3-Methylisoxazole	isox3m
1301	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1302	C₄H₅NS	4-Methylthiazole	c693958
1303	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1304	C₅H₆O	2H-Pyran	pyran2
1305	C₅H₆O	2-methylfuran	furan2m
1306	C₅H₆O	3-Methylfuran	furan3m
1307	C₅H₆O	Pentadienal	pdal
1308	C₅H₆S	Thiophene, 2-methyl-	c554143
1309	C₅H₆S	Thiophene, 3-methyl-	c616444
1310	C₄H₆O₂	γ–Butyrolactone	c96480
1311	C₄H₆O₂	2,3-Butanedione	c431038
1312	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1313	C₄H₆O₂	Crotonic Acid	crot
1314	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1315	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1316	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1317	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1318	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1319	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1320	C₄H₆OS	Vinyl sulfoxide	c1115157
1321	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1322	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1323	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1324	C₃H₆O₃	1,3,5-Trioxane	trioxane
1325	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1326	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1327	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1328	C₄H₇NO	2-Pyrrolidinone	c616455
1329	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1330	C₄H₇NO	Methacrylamide	c79390
1331	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1332	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1333	C₃H₇ONO	Propyl nitrite	prono
1334	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1335	CH₃CH(NH₂)COOH	Alanine	alanine
1336	CH₃NHCH₂COOH	Sarcosine	sarcosine
1337	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1338	NH₂COOC₂H₅	Urethane	urethane
1339	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1340	C₅H₈O	Cyclopentanone	c120923
1341	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1342	C₅H₈O	Methyl cyclopropyl ketone	c765435
1343	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1344	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1345	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1346	C₄H₈O₂	1,3-Dioxane	dioxan13
1347	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1348	C₄H₈O₂	1,4-Dioxane	dioxan14
1349	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1350	C₄H₈O₂	Ethyl acetate	c141786
1351	C₄H₈OS	s-Ethyl thioacetate	c625605
1352	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1353	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1354	C₄H₉NO	Butanamide	c541355
1355	C₄H₉NO	Propanamide, 2-methyl-	c563837
1356	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1357	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1358	C₅H₁₀O	2-methylbutyraldehyde	2meba
1359	C₅H₁₀O	2-Pentanone	mpk
1360	C₅H₁₀O	3-Pentanone	dek
1361	C₅H₁₀O	Cyclopentanol	c96413
1362	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1363	C₅H₁₀O	Pentanal	pal
1364	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1365	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1366	C₅H₁₀S	Cyclopentanethiol	c1679078
1367	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1368	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1369	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1370	C₄H₁₀O₂	1,3-Butanediol	budiol13
1371	C₄H₁₀O₂	1,4-Butanediol	budiol14
1372	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1373	C₄H₁₀OS	Diethyl sulfoxide	c70291
1374	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1375	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1376	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1377	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1378	C₅H₁₂O	1-Pentanol	pentanol1
1379	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1380	C₅H₁₂O	2-Pentanol	peol2
1381	C₅H₁₂O	3-Pentanol	pentan3ol
1382	C₅H₁₂O	Butane, 1-methoxy-	meobu
1383	C₅H₁₂O	Propane, 1-ethoxy-	proet
1384	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1385	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1386	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1387	C₅H₁₂S	1-Pentanethiol	c110667
1388	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1389	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1390	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1391	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1392	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1393	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1394	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1395	C₄F₂	difluorobutadiyne	c4f2
1396	ClCOClCO	Oxalyl chloride	oxcl
1397	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1398	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1399	B₂F₄	Diboron tetrafluoride	b2f4
1400	B₂Cl₄	Diboron tetrachloride	b2cl4
1401	C₂F₄	Tetrafluoroethylene	c2f4
1402	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1403	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1404	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1405	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1406	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1407	C₂FCl₃	fluorotrichloroethene	c2fcl3
1408	C₂Cl₄	Tetrachloroethylene	c2cl4
1409	C₂Br₄	tetrabromoethene	c2br4
1410	CF₃OF	Trifluoromethylhypofluorite	cf3of
1411	SiF₅^-	silicon pentafluoride anion	sif5-
1412	SOF₄	Sulfur tetrafluoride oxide	sof4
1413	PF₅	Phosphorus pentafluoride	pf5
1414	AsF₅	Arsenic pentafluoride	asf5
1415	PCl₅	Phosphorus pentachloride	pcl5
1416	SF₅⁺	pentafluoro sulfur cation	sf5+
1417	SbCl₅	Antimony pentachloride	sbcl5
1418	BrF₅	bromine pentafluoride	brf5
1419	ClF₅	chlorinepentafluoride	clf5
1420	IF₅	pentafluoroiodine	if5
1421	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1422	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1423	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1424	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1425	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1426	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1427	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1428	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1429	CF₃COOH	trifluoroacetic acid	cf3cooh
1430	C₄H₃ClO	Furan, 2-chloro	fur2cl
1431	C₄H₃ClO	Furan,3-chloro	fur3cl
1432	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1433	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1434	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1435	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1436	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1437	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1438	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1439	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1440	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1441	C₄H₈O₂	Butanoic acid	bua
1442	C₆H₅CH₂	benzyl radical	benzyl
1443	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1444	C₆H₅CH₃	toluene	toluene
1445	C₇H₈	cycloheptatriene	cht
1446	C₇H₈	Norbornadiene	norbor
1447	C₇H₈	Quadricyclane	qucy
1448	C₇H₁₂	Norbornane	nor
1449	C₇H₁₄	cycloheptane	c7h14
1450	C₇H₁₆	2-methylhexane	2mhex
1451	C₇H₁₆	3-methylhexane	hex3m
1452	C₇H₁₆	heptane	heptane
1453	CH(CN)₃	tricyanomethane	mecn3
1454	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1455	C₆H₇N	2-Methylpyridine	mp
1456	C₆H₅NH₂	aniline	aniline
1457	C₆H₁₃N	2-Methylpiperidine	pip2m
1458	C₆H₁₅N	triethylamine	tea
1459	N₂O₅	Dinitrogen pentoxide	n2o5
1460	C₄H₂O₃	Maleic Anhydride	malan
1461	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1462	C₅H₄O₂	furfural	furfural
1463	C₅H₅NO	2(1H)-Pyridinone	c72762006
1464	C₅H₅NO	2(3H)-Pyridinone	c9000048
1465	C₅H₅NO	2(5H)-Pyridinone	c9000037
1466	C₅H₅NO	2-Pyridinol	c109104
1467	C₅H₅NO	3(2H)-Pyridinone	c9000004
1468	C₅H₅NO	3(4H)-Pyridinone	c9000026
1469	C₅H₅NO	3(6H)-Pyridinone	c9000015
1470	C₅H₅NO	3-Pyridinol	c109002
1471	C₅H₅NO	4(1H)-Pryidinone	c9000060
1472	C₅H₅NO	4(3H)-Pryidinone	c9000059
1473	C₅H₅NO	4-Pyridinol	c626642
1474	C₆H₅OH	phenol	phenol
1475	C₆H₆O	2,4-Cyclohexadienone	c24599573
1476	C₆H₆O	2,5-Cyclohexadienone	c5664335
1477	C₆H₅SH	Benzenethiol	phsh
1478	HO₂CCHNH₂CH₂OH	Serine	serine
1479	C₅H₈O₂	Acetylacetone	acac
1480	C₄H₈O₂S	Sulfolane	sulfolane
1481	C₇H₁₀	Norbornene	norbornene
1482	CH(C₂H₃)₃	trivinyl methane	tvm
1483	C₆H₁₀O	cyclohexanone	chexo
1484	C₆H₁₂O	hexanal	c6h12o
1485	C₆H₁₂O	Oxepane	oxepane
1486	C₃H₇OC₃H₇	di-n-propyl ether	propr
1487	F₂CCCF₂	tetrafluoroallene	pfa
1488	CF₃COO^-	trifluoro acetate anion	cf3coo-
1489	CF₃COF	trifluoroacetyl fluoride	cf3cof
1490	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1491	PF₆^-	Hexafluorophosphate ion	pf6-
1492	SF₆	Sulfur Hexafluoride	sf6
1493	SeF₆	Selenium hexafluoride	sef6
1494	SF₅Cl	sulfur chloropentafluoride	sf5cl
1495	CF₃CHF₂	pentafluoroethane	cf3chf2
1496	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1497	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1498	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1499	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1500	C₆H₅F	Fluorobenzene	bzf
1501	C₆H₅Cl	chlorobenzene	bzcl
1502	C₆H₅Br	bromobenzene	bzbr
1503	C₈H₆	Calicene	calicene
1504	C₆H₅CCH	phenylacetylene	phac
1505	C₈H₆	benzocyclobutadiene	bcbd
1506	C₈H₆	Pentalene	pentalene
1507	C₆H₅CHCH₂	Styrene	styrene
1508	C₈H₈	cubane	cubane
1509	C₈H₈	cyclooctatetraene	cot
1510	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1511	CH₃C₆H₄CH₃	meta-xylene	mxylene
1512	CH₃C₆H₄CH₃	paraxylene	pxylene
1513	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1514	C₈H₁₆	cyclooctane	cyclooct
1515	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1516	C₈H₁₈	Octane	c8h18
1517	C₆H₅CN	phenyl cyanide	phcn
1518	C₆H₁₂N₂	Triethylenediamine	ted
1519	C₄O₄^--	squarate dianion	c4o4--
1520	S₄N₄	Tetrasulfur tetranitride	s4n4
1521	S₈	Octasulfur	s8
1522	C₆H₄O₂	parabenzoquinone	pbq
1523	C₄H₄N₂O₂	Uracil	uracil
1524	C₆H₅CHO	benzaldehyde	benzal
1525	C₆H₅OCH₃	Anisole	anisole
1526	C₅H₉NO₂	Proline	proline
1527	C₄F₄	tetrafluorcyclobutadiene	c4f4
1528	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1529	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1530	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1531	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1532	C₂F₆	hexafluoroethane	c2f6
1533	C₂Cl₆	hexachloroethane	c2cl6
1534	IF₇	Iodine heptafluoride	if7
1535	C₆H₄F₂	metadifluorobenzene	mdfb
1536	C₆H₄F₂	orthodifluorobenzene	odfb
1537	C₆H₄F₂	1,4-difluorobenzene	pdfb
1538	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1539	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1540	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1541	C₆H₅NO	nitrosobenzene	bzno
1542	C₉H₈	Indene	indene
1543	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1544	C₉H₁₂	n-propyl benzene	prbz
1545	C₉H₂₀	Nonane	nonane
1546	C(CN)₄	tetracyanomethane	c5n4
1547	C₅H₄N₄	purine	purine
1548	C₈H₇N	Indole	indole
1549	C₃H₃N₃O₃	cyanuric acid	cyanuric
1550	C₆H₅NO₂	Nitrobenzene	c6h5no2
1551	C₆H₅COOH	benzoic acid	benzo
1552	CH₃COC₆H₅	acetophenone	acph
1553	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1554	C₃F₆	hexafluoropropene	c3f6
1555	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1556	C₈H₁₈O	1-Octanol	octanol
1557	C₁₀H₈	Azulene	azu
1558	C₁₀H₈	naphthalene	naph
1559	C₁₀H₁₀	bullvalene	bullv
1560	C₁₀H₁₆	adamantane	adamantane
1561	C₆N₄	Tetracyanoethylene	tcne
1562	C₆N₄^-	tetracyanoethylene anion	tcne-
1563	C₁₀H₂₂	Decane	decane
1564	C₄F₆	perfluorobutadiene	c4f6
1565	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1566	C₃F₈	perfluoropropane	c3f8
1567	Fe(CO)₅	Iron pentacarbonyl	ipc
1568	Fe(C₅H₅)₂	ferrocene	fecp2
1569	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1570	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1571	C₁₂H₈	Acenaphthylene	acenaph
1572	C₁₂H₈	biphenylene	biph
1573	C₁₂H₁₀	biphenyl	biphenyl
1574	C₁₂H₁₀	Heptalene	heptalene
1575	C₆H₁₂O₆	Inositol	inositol
1576	C₆F₆	hexafluorobenzene	c6f6
1577	S₂F₁₀	disulphur decafluoride	s2f10
1578	C₁₃H₁₀	Fluorene	fluorene
1579	C₁₄H₁₀	Anthracene	anth
1580	C₁₄H₁₀	Phenanthrene	phenanthrene
1581	C₁₄H₁₄	Bibenzyl	bibenzyl
1582	C₁₂H₁₀N₂	azobenzene	azobenzene
1583	C₆H₅COC₆H₅	benzophenone	benzophenone
1584	C₁₆H₁₀	Pyrene	pyrene
1585	C₁₈H₁₂	Tetracene	tetracene
1586	C₁₉H₁₆	Triphenylmethane	tpm
1587	C₂₄H₁₂	Coronene	coronene
1588	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