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

List of which calculations are completed at ROHF /cc-pVTZ

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	LiH⁺	lithium hydride cation	²Σ	C_∞v
17	NaH⁺	sodium hydride cation	²Σ	C_∞v
18	Be⁺	Beryllium atom cation	²S	K_h
19	Mg^-	Magnesium atom anion	²P	K_h
20	Mg⁺	Magnesium atom cation	²S	K_h
21	BeH	beryllium monohydride	²Σ	C_∞v
22	MgH	magnesium monohydride	²Σ	C_∞v
23	CaH	Calcium monohydride	²Σ	C_∞v
24	TiH	Titanium monohydride	⁴Φ	C_∞v
25	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
26	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
27	BeH₂⁺	Beryllium dihydride cation
28	B	Boron atom	²P	K_h
29	B	Boron atom	⁴P	K_h
30	B⁺	Boron atom cation	¹S	K_h
31	Al	Aluminum atom	²P	K_h
32	Al^-	Aluminum atom anion	³P	K_h
33	Al⁺	Aluminum atom cation	¹S	K_h
34	Sc	Scandium atom	²D	K_h
35	Sc⁺	Scandium cation	³D	K_h
36	Ga	Gallium atom	²P
37	Ga^-	Gallium atom anion	³P	O_h
38	Ga⁺	Gallium atom cation	¹S
39	BH	Boron monohydride	³Π	C_∞v
40	BH^-	boron monohydride anion	⁴Σ	C_∞v
41	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
42	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
43	BH₂	boron dihydride	²A₁	C_2v
44	BH₂^-	boron dihydride anion	³B₁	C_2v
45	AlH₂	aluminum dihydride	²A₁	C_2v
46	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
47	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
48	BH₃⁺	boron trihydride cation	²E^'	D_3h
49	BH₃⁺	boron trihydride cation	²B₂	C_2v
50	BH₃⁺	boron trihydride cation		C_2v
51	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
52	AlH₃^-	aluminum trihydride anion		C_3v
53	AlH₃⁺	aluminum trihydride cation	²E	D_3h
54	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
55	BH₄	borohydride	²B₂	C_2v
56	BH₄^-	borohydride anion	¹A₁	T_d
57	C	Carbon atom	³P₀	K_h
58	C^-	Carbon atom anion	²D	K_h
59	C⁺	Carbon atom cation	²P	K_h
60	Si	Silicon atom	³P	K_h
61	Si^-	Silicon atom anion	⁴S	K_h
62	Si⁺	Silicon atom cation	²P	K_h
63	Ge	Germanium atom	³P	K_h
64	Ge^-	Germanium anion	⁴S	K_h
65	Ge⁺	Germanium cation	²P	K_h
66	CH	Methylidyne	²Π_1/2	C_∞v
67	SiH	Silylidyne	²Π	C_∞v
68	SiH^-	silicon monohydride anion	³Σ	C_∞v
69	GeH	germylidene	²Π	C_∞v
70	CH₂	Methylene	³B₁	C_2v
71	CH₂	Methylene	³Σ_G	D_∞h
72	CH₂^-	methylene anion	²B₁	C_2v
73	CH₂⁺	methylene cation	²A₁	C_2v
74	CH₂⁺	methylene cation	²Π	D_∞h
75	SiH₂	silicon dihydride	³B₁	C_2v
76	SiH₂^-	silicon dihydride anion	²B₁	C_2v
77	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
78	GeH₂	germylene	¹A₁	C_2v
79	GeH₂^-	germylene anion	²B₁	C_2v
80	CH₃	Methyl radical	²A₁	D_3h
81	CH₃^-	methyl anion	¹A₁	C_3v
82	CH₃⁺	methyl cation	¹A₁^'	D_3h
83	SiH₃	Silyl radical	²A₁	C_3v
84	SiH₃^-	Silyl anion	¹A₁	C_3v
85	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
86	GeH₃	Germyl radical	²A₁	C_3v
87	GeH₃⁺	germyl cation	¹A₁^'	D_3h
88	N	Nitrogen atom	⁴S	K_h
89	N^-	Nitrogen atom anion	³S	K_h
90	N⁺	Nitrogen atom cation	³P	K_h
91	P	Phosphorus atom	⁴S	K_h
92	P^-	Phosphorus atom anion	³P	K_h
93	P⁺	Phosphorus atom cation	³P	K_h
94	V	Vanadium atom	⁴F	K_h
95	V⁺	Vanadium atom cation	⁵D	K_h
96	As	Arsenic atomic	⁴S	K_h
97	As^-	Arsenic anion	³P	K_h
98	As⁺	Arsenic cation	³P	K_h
99	NH	Imidogen	³Σ^-	C_∞v
100	PH	phosphorus monohydride	³Σ^-	C_∞v
101	AsH	Arsenic monohydride	³Σ	C_∞v
102	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
103	ND₂	Amidogen-d2	²B₁	C_2v
104	NH₂	Amino radical	²B₁	C_2v
105	NH₂⁺	Amino cation	³B₁	C_2v
106	PH₂	Phosphino radical	²B₁	C_2v
107	PH₂^-	Phosphino anion	¹A₁	C_2v
108	PH₂⁺	Phosphino cation	¹A₁	C_2v
109	AsH₂	Arsenic dihydride	²A₁	C_2v
110	NH₃^-	Ammonia anion	²A₁	C_3v
111	NH₃⁺	ammonia cation	²A₂^"	D_3h
112	PH₃⁺	Phosphine cation	²A₁	C_3v
113	AsH₃⁺	Arsine cation	²A₁	C_3v
114	NH₄	Ammonium radical
115	PH₄	Phosphoranyl radical
116	O	Oxygen atom	³S	K_h
117	O^-	Oxygen atom anion	²P	K_h
118	O⁺	Oxygen atom cation	⁴S	K_h
119	S	Sulfur atom	³P	K_h
120	S^-	Sulfur atom anion	²P	K_h
121	S⁺	Sulfur atom cation	⁴S	K_h
122	Se	Selenium atom	³P	K_h
123	Se^-	Selenium atom anion	²P	K_h
124	Se⁺	Selenium atom cation	⁴S	K_h
125	DO	Hydroxyl-d	²Π	C_∞v
126	OH	Hydroxyl radical	²Π	C_∞v
127	OH⁺	hydoxyl cation	³Σ	C_∞v
128	DS	Mercapto-d	²Π	C_∞v
129	HS	Mercapto radical	²Π	C_∞v
130	HS^-	mercapto anion	¹Σ	C_∞v
131	HS⁺	sulfur monohydride cation	³Σ	C_∞v
132	CrH	Chromium hydride	⁶Σ	C_∞v
133	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
134	HSe	Selenium monohydride	²Π	C_∞v
135	HSe⁺	selenium monohydride cation	³Σ	C_∞v
136	H₂O^-	water anion	²A₁	C_2v
137	H₂O^-	water anion	²A^'	C_s
138	H₂O⁺	water cation	²B₁	C_2v
139	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
140	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
141	H₂Se	Hydrogen selenide	¹A₁	C_2v
142	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
143	H₃S⁺	Sulfonium cation	¹A₁	C_3v
144	F	Fluorine atom	²P	K_h
145	F^-	Fluorine atom anion	¹S	K_h
146	F⁺	Fluorine atom cation	³S	K_h
147	F⁺	Fluorine atom cation	¹D	K_h
148	Cl	Chlorine atom	²P	K_h
149	Cl^-	Chlorine atom anion	¹S	K_h
150	Cl⁺	Chlorine atom cation	³P	K_h
151	Cl⁺	Chlorine atom cation	¹D	K_h
152	Br	Bromine atom	²P	K_h
153	Br^-	Bromine atom anion	¹S	K_h
154	Br⁺	Bromine atom cation	³P	K_h
155	HF^-	hydrogen fluoride anion	²Σ	C_∞v
156	HF⁺	hydrogen fluoride cation	²Π	C_∞v
157	HCl^-	hydrogen chloride anion	²Σ	C_∞v
158	HCl⁺	hydrogen chloride cation	²Π	C_∞v
159	HBr	hydrogen bromide	¹Σ	C_∞v
160	HBr^-	hydrogen bromide anion	²Σ	C_∞v
161	HBr⁺	hydrogen bromide cation	²Π	C_∞v
162	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
163	Ne	Neon atom
164	Ne^-	Neon atom anion	²S	K_h
165	Ne⁺	Neon atom cation	²P	K_h
166	Ar^-	Argon atom anion	²S	K_h
167	Ar⁺	Argon atom cation	²P	K_h
168	Kr⁺	Krypton cation	²P	K_h
169	NeH	neon hydrogen	²Σ	C_∞v
170	ArH⁺	Argon hydride cation	¹Σ	C_∞v
171	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
172	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
173	LiBe	Lithium Beryllium	²Σ	C_∞v
174	LiMg	Lithium magnesium	²Σ	C_∞v
175	NaBe	Sodium Beryllium	²Σ	C_∞v
176	NaMg	Sodium Magnesium	²Σ	C_∞v
177	Be₂	Beryllium diatomic	³Π_g	D_∞h
178	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
179	LiB	Lithium boride	³Π	C_∞v
180	BeB	Beryllium monoboride	²Π	C_∞v
181	B₂	Boron diatomic	³Σ_g	D_∞h
182	B₂	Boron diatomic	⁵Σ_u	D_∞h
183	B₂⁺	Boron diatomic cation	²Π	D_∞h
184	BAl	Boron Aluminum	³Σ	C_∞v
185	BGa	Boron Gallium	³Σ	C_∞v
186	AlGa	Aluminum Gallium	³Σ	C_∞v
187	Ga₂	Gallium diatomic	³P_iu
188	HBBH	Diborane(2)	³Σ_G	D_∞h
189	B₂H₆⁺	Diborane cation
190	LiC	Lithium Carbide	⁴Σ	C_∞v
191	BeC	Beryllium Carbide	³Σ^-	C_∞v
192	BeC	Beryllium Carbide
193	CaC	Calcium monocarbide
194	BC	boron monocarbide	⁴Σ^-	C_∞v
195	BC^-	boron monocarbide anion	³Π_u	C_∞v
196	AlC	Aluminum carbide	⁴Σ	C_∞v
197	BSi	Boron silicide	⁴Σ	C_∞v
198	BSi	Boron silicide	²Σ	C_∞v
199	C₂	Carbon diatomic	³Π_u	D_∞h
200	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
201	SiC	silicon monocarbide	³Σ	C_∞v
202	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
203	SiC⁺	silicon monocarbide cation	²Π	C_∞v
204	Si₂	Silicon diatomic	³Σ_g	D_∞h
205	GeC	Germanium monocarbide	¹Σ	C_∞v
206	SiGe	Silicon Germanium
207	Ge₂	Germanium diatomic	³Σ_g	D_∞h
208	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
209	C₂H	Ethynyl radical	²Σ	C_∞v
210	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
211	C₂H₂⁺	acetylene cation
212	CCH₂	vinylidene	¹A₁	C_2v
213	CCH₂	vinylidene	³B₂	C_2v
214	H₂CC^-	vinylidene anion
215	HCCH^-	acetylene anion
216	HCCH^-	acetylene anion
217	CH₃Li	methyl lithium	¹A₁	C_3v
218	C₂H₃	vinyl	²A^'	C_s
219	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
220	C₂H₄^-	Ethylene anion	²B_2g	D_2h
221	C₂H₄^-	Ethylene anion	²A_g	C_2h
222	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
223	C₂H₄⁺	Ethylene cation	²B₃	D₂
224	CH₃CH	methylmethylene	³A^"	C_s
225	C₂H₅	Ethyl radical	²A^'	C_s
226	C₂H₆⁺	ethane cation	²B_g	C_2h
227	C₂H₆⁺	ethane cation	²A_g	C_i
228	LiN	Lithium Nitride	³Σ	C_∞v
229	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
230	LiP	Lithium monophosphide
231	BeN	Beryllium mononitride	⁴Σ	C_∞v
232	BeN	Beryllium mononitride	²Π	C_∞v
233	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
234	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
235	MgN	Magnesium Nitride
236	MgN	Magnesium Nitride
237	BP	Boron monophosphide	³Π	C_∞v
238	AlP	Aluminum monophosphide	³Σ	C_∞v
239	AlP	Aluminum monophosphide	³Π	C_∞v
240	GaN	Gallium mononitride	³Π	C_∞v
241	GaP	Gallium monophosphide	³Σ	C_∞v
242	GaAs	Gallium arsenide	³Π
243	GaAs	Gallium arsenide	¹Σ
244	BN	boron nitride	³Π	C_∞v
245	AlN	Aluminum nitride	³Π_i	C_∞v
246	CN	Cyano radical	²Σ	C_∞v
247	CP	Carbon monophosphide	²Σ	C_∞v
248	SiN	Silicon nitride	²Σ	C_∞v
249	SiP	Silicon monophosphide	²Π	C_∞v
250	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
251	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
252	N₂	Nitrogen diatomic
253	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
254	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
255	HNB	hydrogen nitrogen boron	²Σ	C_∞v
256	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
257	HNC⁺	hydrogen isocyanide cation
258	HCP⁺	Phosphaethyne cation
259	NNH	Dinitrogen monohydride	²A^'	C_s
260	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
261	CNH₂	Aminomethylidyne radical	²B₂	C_2v
262	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
263	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
264	HCNH	methyleneazane	²A^'	CS cis
265	HCNH	methyleneazane	²A^'	CS trans
266	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
267	CH₂NH⁺	Methanimine cation
268	CHNH₂⁺	Aminocarbene cation
269	N₂H₄⁺	hydrazine cation	²A_G	C_2h
270	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
271	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
272	LiO	lithium oxide	²Σ	C_∞v
273	LiO^-	lithium oxide anion	¹Σ	C_∞v
274	LiO^-	lithium oxide anion	³Σ	C_∞v
275	LiO⁺	lithium oxide cation	³Σ	C_∞v
276	LiS	Lithium monosulfide	²Π	C_∞v
277	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
278	NaO	sodium monoxide	²Σ	C_∞v
279	NaS	Sodium sulfide	²Π	C_∞v
280	LiSe	Lithium monoselenide
281	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
282	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
283	BO	boron monoxide	²Σ	C_∞v
284	BO^-	boron monoxide anion	¹Σ	C_∞v
285	AlO	Aluminum monoxide	²Σ	C_∞v
286	BS	boron sulfide	²Σ	C_∞v
287	AlS	Aluminum sulfide	²Σ	C_∞v
288	ScO	Scandium monoxide	²Σ	C_∞v
289	GaO	Gallium monoxide	²Σ	C_∞v
290	GaS	Gallium monosulfide
291	CO	Carbon monoxide	³Π	C_∞v
292	CO^-	carbon monoxide anion	²Π	C_∞v
293	CO⁺	carbon monoxide cation	²Σ	C_∞v
294	TiO	Titanium monoxide	³Δ	C_∞v
295	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
296	SiSe⁺	Silicon Monoselenide cation
297	NO	Nitric oxide	²Π	C_∞v
298	NO^-	nitric oxide anion	³Σ	C_∞v
299	NS	Mononitrogen monosulfide	²Π	C_∞v
300	NS^-	nitrogen sulfide anion	³Σ	C_∞v
301	PO	Phosphorus monoxide	²Π	C_∞v
302	PS	phosphorus sulfide	²Σ	C_∞v
303	VO	Vanadium monoxide	⁴Σ^-
304	AsO	Arsenic monoxide	²Π	C_∞v
305	NSe	Nitrogen monoselenide	²Π	C_∞v
306	AsS	Arsenic monosulfide	²Π	C_∞v
307	PSe	Phosphorus monoselenide	²Π	C_∞v
308	AsSe	Arsenic monoselenide	²Π	C_∞v
309	O₂	Oxygen diatomic	³Σ_g	D_∞h
310	O₂^-	oxygen diatomic anion	²Π	D_∞h
311	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
312	SO	Sulfur monoxide	³Σ	C_∞v
313	SO	Sulfur monoxide	¹Σ	C_∞v
314	SO⁺	sulfur monoxide cation	²Π	C_∞v
315	S₂	Sulfur diatomic	³Σ_g	D_∞h
316	SeO	Selenium monoxide	³Σ	C_∞v
317	Se₂	Selenium diatomic	³Σ_g	D_∞h
318	BeOH	beryllium monohydroxide	²A^'	C_s
319	COH	Hydroxymethylidyne
320	HCO	Formyl radical	²A^'	C_s
321	HCO^-	formyl anion	¹A^'	C_s
322	HCO⁺	Formyl cation	¹Σ	C_∞v
323	HCS	Thioformyl radical	²A^'	C_s
324	HCS⁺	Thioformyl cation	¹Σ	C_∞v
325	HNO	Nitrosyl hydride	¹A^'	C_s
326	HNO^-	Nitrosyl hydride anion	²A^"	C_s
327	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
328	NOH	Hydroxyimidogen	³A^"	C_s
329	NOH⁺	O-protonated nitric oxide	²A^'	C_s
330	HNS^-	Sulfur imide anion	²A	C_s
331	HO₂	Hydroperoxy radical	²A^"	C_s
332	HO₂^-	Hydroperoxy anion	¹A^'	C_s
333	HO₂⁺	Hydroperoxy cation	³A^"	C_s
334	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
335	SOH	Sulfur Hydroxide
336	SOH⁺	Sulfur Monoxide, protonated
337	HS₂	Thiosulfeno radical	²A^"	C_s
338	H₂CO^-	formaldehyde anion	²A^'	C_s
339	H₂CO^-	formaldehyde anion
340	H₂CO⁺	formaldehyde cation	²B₂	C_2v
341	H₂CS^-	thioformaldehyde anion
342	H₂CS^-	thioformaldehyde anion
343	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
344	H₂NO	nitroxide	²B₁	C_2v
345	H₂NO	nitroxide	²A^'	C_s
346	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
347	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
348	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
349	CH₂OH	Hydroxymethyl radical	²A	C₁
350	CH₃O	Methoxy radical	²A^'	C₁
351	CH₃O⁺	Methoxy cation	³A₁	C_3v
352	CH₃S	thiomethoxy	²A^'	C_3v
353	NH₂OH⁺	Hydroxylamine cation
354	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
355	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
356	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
357	CH₃OH⁺	Methyl alcohol cation	²A	C₁
358	CH₃SH⁺	Methanethiol cation	²A^"	C_s
359	NH₂OH₂⁺	protonated hydroxylamine
360	NH₃OH⁺	N-protonated hydroxylamine
361	NaF⁺	sodium fluoride cation	²Σ	C_∞v
362	LiF^-	lithium fluoride anion	²Σ	C_∞v
363	LiF⁺	lithium fluoride cation	²Π	C_∞v
364	BeF	Beryllium monofluoride	²Σ	C_∞v
365	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
366	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
367	BeCl	beryllium monochloride	²Σ	C_∞v
368	TiCl	Titanium Monochloride	⁴Σ	C_∞v
369	ZnF	Zinc monofluoride	²Σ	C_∞v
370	CaBr	Calcium monobromide
371	GaF	Gallium monofluoride	¹Σ	C_∞v
372	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
373	GaCl	Gallium monochloride	¹Σ_G	C_∞v
374	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
375	CF	Fluoromethylidyne	²Π	C_∞v
376	CF^-	carbon monofluoride anion	³Σ	C_∞v
377	CCl	carbon monochloride	²Π	C_∞v
378	SiF	silicon monofluoride	²Π	C_∞v
379	SiF^-	silicon monofluoride anion	³Σ	C_∞v
380	SiCl	Clorosilylidyne	²Π	C_∞v
381	CBr	Carbon monobromide	²Π	C_∞v
382	GeF	Germanium monofluoride	²Π	C_∞v
383	GeCl	Germanium monochloride	²Π	C_∞v
384	SiBr	Silicon monobromide	²Π	C_∞v
385	SiBr⁺	Silicon monobromide cation
386	NF	nitrogen fluoride	³Σ	C_∞v
387	NCl	nitrogen monochloride	³Σ	C_∞v
388	NCl^-	nitrogen monochloride anion	²Π	C_∞v
389	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
390	PF	phosphorus monofluoride	³Σ	C_∞v
391	AsF	Arsenic monofluoride	³Σ	C_∞v
392	NBr	nitrogen monobromide	³Σ^-	C_∞v
393	AsCl	Arsenic monochloride	³Σ	C_∞v
394	PBr	Phosphorus monobromide
395	FO	Oxygen monofluoride	²Π	C_∞v
396	ClO	Monochlorine monoxide	²Π	C_∞v
397	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
398	SF	Monosulfur monofluoride	²Π	C_∞v
399	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
400	SCl	sulfur monochloride	²Π	C_∞v
401	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
402	BrO	Bromine monoxide	²Π	C_∞v
403	BrO⁺	Bromine monoxide cation
404	SeF	Selenium monofluoride	²Π	C_∞v
405	SBr	Sulfur monobromide radical
406	SBr⁺	Sulfur monobromide cation
407	SeCl	Selenium monochloride	²Π	C_∞v
408	SeBr	Selenium monobromide
409	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
410	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
411	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
412	ClF⁺	clorine monofluoride cation	²Π	C_∞v
413	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
414	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
415	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
416	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
417	HCF	Fluoromethylene	³A^"	C_s
418	HCCl	Chloromethylene	³A^"	C_s
419	CHBr	bromomethylene	³A^"	C_s
420	HOCl⁺	hypochlorous acid cation
421	HOBr⁺	Hypobromous acid cation	²A^"	C_s
422	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
423	CH₂Br	bromomethyl radical	²A^'	C_s
424	CH₂Br	bromomethyl radical
425	CH₂F	fluoromethyl radical	²A	C_s
426	CH₂Cl	chloromethyl radical	²A^'	C_s
427	CH₂Cl	chloromethyl radical	²B₁	C_2v
428	CH₃F⁺	methyl fluoride cation
429	CH₃Cl⁺	Methyl chloride cation
430	CH₃Br	methyl bromide	¹A₁	C_3v
431	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
432	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
433	Li₃	Lithium trimer	²B₂	C_2v
434	C₃	carbon trimer	¹A₁	C_2v
435	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
436	C₃H₃	cyclopropenyl radical	²A^'	C_s
437	C₃H₃	Propargyl radical	²B₁	C_s
438	C₃H₃^-	Propargyl anion	¹A^'	C_s
439	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
440	C₃H₅	Allyl radical	²A₂	C_2v
441	C₃H₅	Allyl radical	²A^"	C_s
442	CH₃CHCH	1-propenyl radical	²A^'	C_s
443	C₃H₇	n-Propyl radical	²A^"	C₁
444	CH₃CHCH₃	Isopropyl radical	²A	C₂
445	LiCN	lithium cyanide	¹Σ	C*V LiCN
446	ZnCN	Zinc monocyanide	²Σ	C_∞v
447	ZnNC	Zinc isocyanide	²Σ	C_∞v
448	CNN	Diazocarbene
449	NCN	Cyanoimidogen	³Σ_g	D_∞h
450	N₃	azide radical	²Π_g	D_∞h
451	N₃⁺	azide cation	³Σ_g	D_∞h
452	N₃⁺	azide cation	³Σ	C_∞v
453	HCCN	cyanomethylene	³A^"	C_s
454	HCCN	cyanomethylene	³Σ	C_∞v
455	HCCN	cyanomethylene
456	HN₃	hydrogen azide	¹A^'	C_s
457	HN₃⁺	Hydrazoic acid cation
458	CH₃CN^-	acetonitrile anion	²E	C_3v
459	CH₃CN^-	acetonitrile anion	²A^'	C_s
460	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
461	HCNCH₂⁺	2H-Azirine cation
462	CH₂CHNH	vinylazine	²A^"	CS cis
463	CH₂CHNH	vinylazine	²A^"	CS trans
464	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
465	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
466	LiO₂	Lithium dioxide
467	NaO₂	Sodium superoxide
468	CCO	Dicarbon monoxide	³Σ	C_∞v
469	NCO	isocyanato radical	²Π	C_∞v
470	SCN	thiocyanato radical	²Π	C_∞v
471	BO₂	Boron dioxide	²A^'	D_∞h
472	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
473	N₂O^-	Nitrous oxide anion	²A^'	C_s
474	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
475	CO₂^-	Carbon dioxide anion	²A₁	C_2v
476	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
477	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
478	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
479	CS₂^-	Carbon disulfide anion	²A₁	C_2v
480	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
481	NO₂	Nitrogen dioxide	²A₁	C_2v
482	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
483	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
484	NSO	sulfinyl amidogen
485	PO₂	Phosphorus dioxide	²A₁	C_2v
486	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
487	SNO	Nitrogen oxide sulfide
488	AsO₂	Aresenic dioxide	²A₁	C_2v
489	O₃^-	Ozone anion	²B₁	C_2v
490	O₃⁺	Ozone cation	²A₁	C_2v
491	SO₂	Sulfur dioxide	¹A₁	C_2v
492	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
493	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
494	S₃^-	Sulfur trimer anion	²B₁	C_2v
495	S₃⁺	Sulfur trimer cation	²B₂	C_2v
496	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
497	HCCO	ketenyl radical	²Π	C_∞v
498	HCCO	ketenyl radical	²A^"	C_s
499	HCOO	formate neutral radical	²A^'	C_s
500	HOCO	Hydrocarboxyl radical	¹A^'	cis
501	HOCO	Hydrocarboxyl radical	¹A^'	trans
502	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
503	HNO₂⁺	nitrous acid cation	²A^'	C_s
504	CH₂CO⁺	Ketene cation	²B₁	C_2v
505	CH₂CHO	Vinyloxy radical	²A^"	C_s
506	CH₃CO	Acetyl radical	²A^'	C_s
507	CH₂OOH	CH2OOH radical	²A	C₁
508	CH₃OO	methylperoxy radical	²A^"	C_s
509	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
510	C₂H₄O⁺	ethylene oxide cation
511	CH₃CHO⁺	acetaldehyde cation
512	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
513	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
514	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
515	CH₃CH₂O	Ethoxy radical	²A^'	C_s
516	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
517	CH₃OCH₂	methoxymethyl radical	²A	C₁
518	CH₃CH₂SH	ethanethiol	¹A^'	C_s
519	CH₃SCH₃⁺	dimethyl sulfide cation
520	CuF₂	Copper difluoride	²Π_g	D_∞h
521	FCO	Carbonyl fluoride	²A^'	C_s
522	ClCO	carbonyl monochloride	²A^'	C_s
523	BF₂	Boron difluoride radical	²A₁	C_2v
524	BrNO	Nitrosyl bromide	¹A^'	C_s
525	CF₂	Difluoromethylene	³B₁	C_2v
526	CF₂^-	Difluoromethylene anion	²B₁	C_2v
527	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
528	SiF₂	Silicon difluoride	¹A₁	C_2v
529	SiF₂	Silicon difluoride	³B₁	C_2v
530	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
531	CCl₂^-	dichloromethylene anion	²B₁	C_2v
532	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
533	CBr₂	dibromomethylene	³B₁	C_2v
534	FOO	Dioxygen monofluoride radical	²A^"	C_s
535	FOO⁺	Fluorine dioxide cation
536	ClOO	chloroperoxy radical	²A^"	C_s
537	ClOO⁺	chloroperoxy cation	¹A^'	C_s
538	OClO	Chlorine dioxide	²B₁	D_∞h
539	OClO^-	Chlorine dioxide anion	¹A^'	C_s
540	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
541	ClSO	Sulfur chloride oxide	²A^"	C_s
542	ClS₂	Sulfur chloride	²A^"	C_s
543	BrOO	Bromine dioxide
544	OBrO	Bromine dioxide radical	²B₁	C_2v
545	NF₂	Difluoroamino radical	²B₁	C_2v
546	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
547	PF₂	Phosphorus difluoride
548	SF₂^-	sulfur difluoride anion	²A^'	C_s
549	SF₂^-	sulfur difluoride anion	²Π	D_∞h
550	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
551	BrOCl	Bromine hypochlorite	¹A^'	C_s
552	BrOBr	Bromine oxide	¹A₁	C_2v
553	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
554	HFCO⁺	formyl fluoride cation	²A^'	C_s
555	COHCl	Formyl chloride	¹A^'	C_s
556	COHBr	Formyl bromide	¹A^'	C_s
557	CHCl₂	dichloromethyl radical	²B₁	C_2v
558	CHCl₂	dichloromethyl radical	²A^'	C_s
559	CHF₂	difluoromethyl radical	²A	C_s
560	CHFCl	Chlorofluoromethyl radical
561	CHBr₂	dibromomethyl radical
562	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
563	CH₃OCl	methyl hypochlorite	¹A^'	C_s
564	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
565	CHClCH₃	1-chloroethyl radical	²A	C₁
566	C₄	Carbon tetramer	³Σ_g	D_∞h
567	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
568	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
569	C(CH₃)₃	Tert-butyl radical	²A^"	C_3v
570	CH₂CH(CH₃)₂	Isobutyl radical	²A^'	C₁
571	CH₃CHCH₂CH₃	2-Butyl radical	¹A	C₁
572	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
573	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
574	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
575	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
576	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
577	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
578	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
579	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
580	HSO₃	Hydroxysulfonyl radical	²A	C₁
581	C₂H₂O₂	Ethanedial	¹A_g	C_2h
582	CH₃COCH₂	Acetonyl radical	²A^"	C_s
583	C₂H₅OO	ethylperoxy radical	²A^'	C_s
584	CH₃COCH₃^-	acetone anion	²A^'	C_s
585	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
586	BrONO	Bromine nitrite	¹A^'	CS trans
587	CF₂O⁺	Carbonic difluoride cation
588	COFCl	Carbonic chloride fluoride	¹A^'	C_s
589	COBr₂	Carbonic dibromide	¹A₁	C_2v
590	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
591	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
592	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
593	BF₃⁺	boron trifluoride cation	²B₂	C_2v
594	BF₃⁺	boron trifluoride cation
595	BCl₃⁺	Boron Trichloride cation
596	CF₃	Trifluoromethyl radical	²A₁	C_3v
597	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
598	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
599	CF₂Cl	difluorochloromethyl radical
600	SiF₃	Silicon trifluoride radical	²A₁	C_3v
601	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
602	CFCl₂	dichlorofluoromethyl radical
603	CCl₃	Trichloromethyl radical	²A₁	C₃
604	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
605	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
606	CBr₃	tribromomethyl radical
607	NF₃	Nitrogen trifluoride	¹A₁	C_3v
608	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
609	NF₃^-	Nitrogen trifluoride anion	²A	C_s
610	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
611	SF₃	Sulfur trifluoride	²A^'	C_s
612	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
613	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
614	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
615	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
616	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
617	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
618	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
619	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
620	C₅H₇	cyclopentenyl radical	²A₂	C_2v
621	C₅H₁₁	2-Methylbut-2-yl radical	¹A	C₁
622	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
623	C₄H₄N	pyrrolide radical	²A₂	C_2v
624	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
625	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
626	CBr₄	Carbon tetrabromide	¹A₁	T_d
627	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
628	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
629	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
630	C₆H₅	phenyl	²A₁	C_2v
631	SF₅	Sulfur pentafluoride	²A₁	C_4v
632	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
633	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
634	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
635	C₆H₅CH₂	benzyl radical	²B₁	C_s
636	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
637	C₆H₁₃N	cyclohexanamine	¹A	C₁
638	C₆H₅O	phenoxy radical	²B₁	C_2v
639	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
640	C₆H₁₂O₂	Methyl pivalate	¹A	C₁
641	C₆H₁₂O₂	Hexanoic acid	¹A₁	C_s
642	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
643	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	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	lih
18	LiH^-	lithium hydride anion	lih-
19	NaH	sodium hydride	nah
20	NaH^-	sodium hydride anion	nah-
21	KH	Potassium hydride	kh
22	KH⁺	Potassium hydrogen cation	kh+
23	CuH	Copper monohydride	cuh
24	Be	Beryllium atom	be
25	Be^-	Beryllium atom anion	be-
26	Mg	Magnesium atom	mg
27	Ca	Calcium atom	ca
28	Ca^-	Calcium atom anion	ca-
29	Ca⁺	Calcium atom cation	ca+
30	Zn	Zinc atom	zn
31	Zn^-	Zinc atom anion	zn-
32	Zn⁺	Zinc atom cation	zn+
33	BeH^-	berylium monohydride anion	beh-
34	BeH⁺	beryllium monohydride cation	beh+
35	MgH^-	magnesium monohydride anion	mgh-
36	MgH⁺	magnesium monohydride cation	mgh+
37	CaH⁺	Calcium monohydride cation	cah+
38	ZnH	Zinc monohydride	znh
39	ZnH⁺	Zinc, protonated	znh+
40	BeH₂	beryllium dihydride	beh2
41	MgH₂	magnesium dihydride	mgh2
42	CaH₂	Calcium Hydride	cah2
43	ZnH₂	Zinc hydride	znh2
44	B^-	Boron atom anion	b-
45	BH	Boron monohydride	bh
46	BH^-	boron monohydride anion	bh-
47	BH⁺	boron monohydride cation	bh+
48	AlH	aluminum monohydride	alh
49	AlH^-	aluminum monohydride anion	alh-
50	AlH⁺	aluminum monohydride cation	alh+
51	ScH	Scandium monohydride	sch
52	GaH	Gallium monohydride	gah
53	BH₂⁺	Boron dihydride cation	bh2+
54	BH₃	boron trihydride	bh3
55	BH₃^-	boron trihydride anion	bh3-
56	AlH₃	aluminum trihydride	alh3
57	ScH₃	Scandium trihydride	sch3
58	GaH₃	Gallium trihydride	gah3
59	AlH₄^-	Aluminum tetrahydride anion	alh4-
60	C^-	Carbon atom anion	c-
61	Ti	Titanium atom	ti
62	Ti^-	Titanium atom anion	ti-
63	Ti⁺	Titanium atom cation	ti+
64	Sn	Tin atom	sn
65	Sn⁺	Tin cation	sn+
66	CH^-	methylidyne anion	ch-
67	CH⁺	Methylidyne cation	ch+
68	SiH⁺	silicon monohydride cation	sih+
69	GeH⁺	Germaniun monohyrdide cation	geh+
70	SiH₂	silicon dihydride	sih2
71	CD₄	methane-d4	cd4
72	CH₂D₂	methane-d2	ch2d2
73	CH₃D	methane-d	ch3d
74	CH₄	Methane	ch4
75	CH₄^-	Methane anion	ch4-
76	CH₄⁺	Methane cation	ch4+
77	CHD₃	methane-d3	chd3
78	SiH₂D₂	silane-d2	sih2d2
79	SiH₄	Silane	sih4
80	SiH₄⁺	Silane cation	sih4+
81	GeH₄	Germane	geh4
82	SnH₄	Stannane	snh4
83	SiH₅⁺	Silane, protonated	sih5+
84	Sb	Antimony atom	sb
85	NH^-	Imidogen anion	nh-
86	NH⁺	imidogen cation	nh+
87	PH^-	phosphorus monohydride anion	ph-
88	PH⁺	phosphorus monohydride cation	ph+
89	SbH	Antimony monohydride	sbh
90	NH₂^-	amino anion	nh2-
91	AsH₂⁺	Arsenic dihydride cation	ash2+
92	ND₃	Ammonia-d3	nd3
93	NH₃	Ammonia	nh3
94	PH₃	Phosphine	ph3
95	AsH₃	Arsine	ash3
96	SbH₃	Stibine	sbh3
97	AsH₄⁺	Arsonium	ash4+
98	NH₄⁺	ammonium cation	nh4+
99	PH₄⁺	phosphonium cation	ph4+
100	Cr	Chromium atom	cr
101	Te	Tellurium atom	te
102	Te⁺	Tellurium atom cation	te+
103	OH^-	hydroxide anion	oh-
104	HSe^-	selenium monohydride anion	hse-
105	TeH	Telluryl radical	teh
106	D₂O	Deuterium oxide	d2o
107	H₂O	Water	h2o
108	HDO	Water-d1	hdo
109	D₂S	Hydrogen sulfide-d2	d2s
110	H₂S	Hydrogen sulfide	h2s
111	H₂Te	Hydrogen Telluride	h2te
112	H₃O⁺	hydronium cation	h3o+
113	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
114	Mn	Manganese atom	mn
115	I	Iodine atom	iodine
116	I^-	Iodine atom anion	iodine-
117	I⁺	Iodine atom cation	iodine+
118	DF	Hydrofluoric acid-d	df
119	HF	Hydrogen fluoride	hf
120	DCl	Hydrochloric acid-d	dcl
121	HCl	Hydrogen chloride	hcl
122	HI	Hydrogen iodide	hi
123	HI⁺	Hydrogen iodide cation	hi+
124	H₂F⁺	dihydrogen fluoride cation	h2f+
125	H₂Br⁺	protonated hydrogen bromide	h2br+
126	H₂I⁺	Iodonium	h2i+
127	Ne	Neon atom	ne
128	Ar	Argon atom	ar
129	Fe	Iron atom	fe
130	Kr	Krypton atom	kr
131	Xe	Xenon atom	xe
132	HeLi⁺	Helium Lithium cation	heli+
133	NeH⁺	neon hydrogen cation	neh+
134	KrH⁺	Protonated Krypton	krh+
135	XeH⁺	Xenon, protonated	xeh+
136	H₂Ar	H2 Ar dimer	h2ar
137	Co	Cobalt atom	cobalt
138	Ni	Nickel atom	ni
139	Li₂	Lithium diatomic	li2
140	Li₂^-	lithium diatomic anion	li2-
141	Li₂⁺	lithium diatomic cation	li2+
142	NaLi	lithium sodium	lina
143	NaLi^-	lithium sodium anion	lina-
144	NaLi⁺	lithium sodium cation	lina+
145	LiK	Lithium Potassium	lik
146	Na₂	Sodium diatomic	na2
147	NaK	Sodium Potassium	nak
148	NaK⁺	Sodium Potassium diatomic cation	nak+
149	K₂	Potassium diatomic	k2
150	Cu₂	Copper diatomic	cu2
151	Be₂	Beryllium diatomic	be2
152	Be₂⁺	Beryllium diatomic cation	be2+
153	BeMg	Beryllium Magnesium	bemg
154	Mg₂	Magnesium diatomic	mg2
155	Mg₂^-	magnesium diatomic anion	mg2-
156	Mg₂⁺	magnesium diatomic cation	mg2+
157	Ca₂	Calcium diatomic	ca2
158	LiAl	Lithium Aluminum	lial
159	NaAl	Sodium aluminum	naal
160	B₂^-	Boron diatomic anion	b2-
161	Al₂	Aluminum diatomic	al2
162	Al₂^-	aluminum diatomic anion	al2-
163	Al₂⁺	aluminum diatomic cation	al2+
164	LiBH₄	Lithium borohydride	libh4
165	B₂H₄	Diborane(4) D2d	b2h4
166	HBHHBH	Diborane(4) C2V	hbhhbh
167	B₂H₆	Diborane	b2h6
168	Al₂H₆	dialane	al2h6
169	Ga₂H₆	digallane	ga2h6
170	BC⁺	boron monocarbide cation	bc+
171	C₂	Carbon diatomic	c2
172	C₂^-	carbon diatomic anion	c2-
173	Si₂^-	silcon diatomic anion	si2-
174	Si₂⁺	silcon diatomic cation	si2+
175	C₂H^-	Ethynyl anion	c2h-
176	C₂H⁺	Ethynyl cation	c2h+
177	ZnCH₂	Zinc methylene	znch2
178	C₂H₂	Acetylene	c2h2
179	Si₂H₂	disilyne	si2h2
180	CuCH₃	monomethyl copper	cuch3
181	ZnCH₃	Zinc monomethyl	znch3
182	CH₂BH	methyleneborane	ch2bh
183	C₂H₃^-	vinyl anion	c2h3-
184	C₂H₄	Ethylene	c2h4
185	CH₂SiH₂	silaethylene	ch2sih2
186	Si₂H₄	Disilene	si2h4
187	CH₃BH₂	methylborane	ch3bh2
188	C₂H₅^-	Ethyl anion	c2h5-
189	C₂H₅⁺	Ethyl cation	c2h5+
190	C₂H₆	Ethane	c2h6
191	CH₃SiH₃	methyl silane	ch3sih3
192	Si₂H₆	disilane	si2h6
193	GeH₃CH₃	methyl germane	geh3ch3
194	C₂H₇⁺	Ethane, protonated	c2h7+
195	BeN⁺	Beryllium mononitride cation	ben+
196	BN^-	boron nitride anion	bn-
197	AlN^-	aluminum mononitride anion	aln-
198	AlN⁺	aluminum mononitride cation	aln+
199	BN⁺	boron nitride cation	bn+
200	CN^-	cyanide anion	cn-
201	CN⁺	Cyano cation	cn+
202	CP^-	carbon monophosphide anion	cp-
203	CP⁺	carbon monophosphide cation	cp+
204	SiN^-	silicon mononitride anion	sin-
205	SiN⁺	silicon mononitride cation	sin+
206	TiN	Titanium mononitride	tin
207	N₂	Nitrogen diatomic	n2
208	PN	Phosphorus mononitride	pn
209	PN^-	phosphorus nitride anion	pn-
210	PN⁺	phosphorus nitride cation	pn+
211	P₂	Phosphorus diatomic	p2
212	P₂^-	phosphorus diatomic anion	p2-
213	P₂⁺	phosphorus diatomic cation	p2+
214	AsN	Arsenic mononitride	asn
215	AsP	Arsenic monophosphide	asp
216	SbN	Antimony nitride	sbn
217	As₂	Arsenic diatomic	as2
218	HNC	hydrogen isocyanide	hnc
219	HCN	Hydrogen cyanide	hcn
220	HCN^-	Hydrogen cyanide anion	hcn-
221	HCP	Phosphaethyne	hcp
222	NNH⁺	Dinitrogen monohydride cation	nnh+
223	HPO	Hydrogen phosphorus oxide	hpo
224	LiNH₂	lithium amide	linh2
225	HBNH	Boranimine	hbnh
226	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
227	HCNH⁺	N-protonated HCN	hcnh+
228	H₂NN	Isodiazene	h2nn
229	N₂H₂	(E)-diazene	n2h2
230	N₂H₂	(Z)-Diazene	n2h2z
231	CH₂NH	Methanimine	ch3n
232	CHNH₂	aminomethylene	chnh2
233	CH₂PH	Phosphaethene	ch3p
234	BH₂NH₂	Boranamine	bh2nh2
235	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
236	N₂H₄	Hydrazine	n2h4
237	P₂H₄	Diphosphine	p2h4
238	CH₃NH₂	methyl amine	ch3nh2
239	CH₃PH₂	Methyl phosphine	ch3ph2
240	SiH₃NH₂	Silane, amino	sih3nh2
241	N₂H₅⁺	protonated hydrazine	n2h5+
242	BH₃PH₃	borane phosphine	bh3ph3
243	BH₃NH₃	borane ammonia	bh3nh3
244	CH₃NH₃⁺	protonated methylamine	ch3nh3+
245	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
246	NH₃NH₃	Ammonia Dimer	nh3nh3
247	N₂H₇⁺	ammonia ammonium dimer	n2h7+
248	NaO^-	sodium oxide anion	nao-
249	NaO⁺	sodium oxide cation	nao+
250	KO	Potassium monoxide	ko
251	KO⁺	Potassium monoxide cation	ko+
252	CuO	Copper Monoxide	cuo
253	BeO	beryllium oxide	beo
254	BeS	beryllium sulfide	bes
255	MgO	magnesium oxide	mgo
256	MgO^-	magnesium oxide anion	mgo-
257	MgO⁺	magnesium oxide cation	mgo+
258	CaO	Calcium monoxide	cao
259	MgS	magnesium sulfide	mgs
260	MgS^-	magnesium sulfide anion	mgs-
261	MgS⁺	magnesium sulfide cation	mgs+
262	CaS	Calcium sulfide	cas
263	ZnO	zinc monoxide	zno
264	ZnS	Zinc sulfide	zns
265	BeS^-	Beryllium monosulfide anion	bes-
266	BeS⁺	Beryllium monosulfide cation	bes+
267	AlO^-	Aluminum monoxide anion	alo-
268	AlO⁺	aluminum monoxide cation	alo+
269	BS^-	boron monosulfide anion	bs-
270	BS⁺	boron monosulfide cation	bs+
271	AlS^-	aluminum monosulfide anion	als-
272	AlS⁺	aluminum monosulfide cation	als+
273	BO⁺	boron monoxide cation	bo+
274	CO	Carbon monoxide	co
275	CS	carbon monosulfide	cs
276	CS^-	carbon monosulfide anion	cs-
277	CS⁺	carbon monosulfide cation	cs+
278	SiO	Silicon monoxide	sio
279	SiO^-	silicon monoxide anion	sio-
280	SiO⁺	silicon monoxide cation	sio+
281	SiS	silicon monosulfide	sis
282	SiS^-	silicon monosulfide anion	sis-
283	SiS⁺	silicon monosulfide cation	sis+
284	CSe	Carbon monoselenide	cse
285	CSe^-	Carbon monoselenide anion	cse-
286	CSe⁺	Carbon monoselenide cation	cse+
287	GeO	Germanium monoxide	geo
288	GeS	Germanium monosulfide	ges
289	SiSe	Silicon Monoselenide	sise
290	GeSe	Germanium monoselenide	gese
291	NO⁺	nitric oxide cation	no+
292	NS⁺	nitrogen sulfide cation	ns+
293	PO^-	phosphorus monoxide anion	po-
294	PO⁺	phosphorus monoxide cation	po+
295	PS^-	phosphorus monosulfide anion	ps-
296	PS⁺	phosphorus monosulfide cation	ps+
297	O₂^--	dioxygen dianion	o2--
298	SO^-	sulfur monoxide anion	so-
299	S₂^-	sulfur diatomic anion	s2-
300	S₂⁺	sulfur diatomic cation	s2+
301	SeO^-	selenium monoxide anion	seo-
302	SeO⁺	selenium monoxide cation	seo+
303	SeS	Selenium monosulfide	ses
304	SeS^-	selenium monosulfide anion	ses-
305	SeS⁺	selenium monosulfide cation	ses+
306	TeO	Tellurium monoxide	teo
307	Se₂^-	selenium diatomic anion	se2-
308	Se₂⁺	selenium diatomic cation	se2+
309	Te₂	Tellurium diatomic	te2
310	LiOH	lithium hydroxide	lioh
311	NaOH	sodium hydroxide	naoh
312	KOH	Potassium hydroxide	koh
313	MgOH	magnesium hydroxide	mgoh
314	CaOH	Calcium monohydroxide	caoh
315	HBO	Boron hydride oxide	hbo
316	HBS	hydrogen boron sulfide	hbs
317	COH⁺	Carbon Monoxide, protonated	coh+
318	HCS^-	Thioformyl anion	hcs-
319	HNS	Sulfur imide	hns
320	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
321	H₂CO	Formaldehyde	h2co
322	HOCH	hydroxycarbene	hoch
323	H₂CS	Thioformaldehyde	h2cs
324	H₂CSe	Selenoformaldehyde	h2cse
325	H₂O₂	Hydrogen peroxide	h2o2
326	H₂OO	water oxide	h2oo
327	HOSH	hydrogen thioperoxide	hosh
328	H₂S₂	Disulfane	h2s2
329	H₂Se₂	hydrogen diselenide	h2se2
330	CH₂OH⁺	hydroxymethyl cation	ch2oh+
331	CH₃O^-	methoxy anion	ch3o-
332	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
333	NH₂OH	hydroxylamine	nh2oh
334	NH₃O	Ammonia Oxide	nh3o
335	H₂POH	Phosphinous acid	h2poh
336	H₃PO	Phosphine oxide	h3po
337	NH₂SH	Thiohydroxylamine	nh2sh
338	NH₃S	sulfidoazane	nh3s
339	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
340	CH₃OH	Methyl alcohol	ch3oh
341	CH₃SH	Methanethiol	ch3sh
342	SiH₃OH	silanol	sih3oh
343	CH₃SeH	Methane selenol	ch3seh
344	H₂OH₂O	water dimer	h2oh2o
345	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
346	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
347	H₂ONH₃	Water Ammonia Dimer	h2onh3
348	H₅O₂⁺	Dihydroxonium ion	h5o2+
349	LiF	lithium fluoride	lif
350	LiCl	lithium chloride	licl
351	LiCl^-	lithium chloride anion	licl-
352	LiCl⁺	lithium chloride cation	licl+
353	NaF	sodium fluoride	naf
354	NaF^-	sodium fluoride anion	naf-
355	KF	Potassium Fluoride	kf
356	NaCl	Sodium Chloride	nacl
357	NaCl^-	sodium chloride anion	nacl-
358	NaCl⁺	sodium chloride cation	nacl+
359	KCl	Potassium Chloride	kcl
360	CuF	Copper monofluoride	cuf
361	LiBr	Lithium Bromide	libr
362	LiBr^-	lithium bromide anion	libr-
363	LiBr⁺	lithium bromide cation	libr+
364	CuCl	Copper monochloride	cucl
365	NaBr	Sodium Bromide	nabr
366	NaBr^-	sodium bromide anion	nabr-
367	NaBr⁺	sodium bromide cation	nabr+
368	KBr	Potassium Bromide	kbr
369	LiI	Lithium Iodide	lii
370	NaI	Sodium Iodide	nai
371	KI	Potassium Iodide	ki
372	MgF	Magnesium monofluoride	mgf
373	MgF^-	magnesium fluoride anion	mgf-
374	MgF⁺	magnesium fluoride cation	mgf+
375	CaF	Calcium monofluoride	caf
376	MgCl	magnesium monochloride	mgcl
377	MgCl^-	magnesium monochloride anion	mgcl-
378	MgCl⁺	magnesium monochloride cation	mgcl+
379	CaCl	calcium monochloride	cacl
380	ZnF^-	Zinc monofluoride anion	znf-
381	ZnF⁺	Zinc monofluoride cation	znf+
382	ZnCl	Zinc monochloride	zncl
383	BeCl^-	beryllium monochloride anion	becl-
384	BeCl⁺	beryllium monochloride cation	becl+
385	BF	Boron monofluoride	bf
386	BF^-	Boron monofluoride anion	bf-
387	BF⁺	Boron monofluoride cation	bf+
388	AlF	Aluminum monofluoride	alf
389	AlF^-	Aluminum monofluoride anion	alf-
390	AlF⁺	Aluminum monofluoride cation	alf+
391	BCl	boron monochloride	bcl
392	BCl^-	boron monochloride anion	bcl-
393	BCl⁺	boron monochloride cation	bcl+
394	AlCl	Aluminum monochloride	alcl
395	AlCl^-	aluminum monochloride anion	alcl-
396	AlCl⁺	aluminum monochloride cation	alcl+
397	ScF	Scandium monofluoride	scf
398	BBr	Boron monobromide	bbr
399	AlBr	Aluminum monobromide	albr
400	AlI	Aluminum monoiodide	ali
401	GaBr	Gallium monobromide	gabr
402	CF⁺	carbon monofluoride cation	cf+
403	CCl^-	carbon monochloride anion	ccl-
404	CCl⁺	carbon monochloride cation	ccl+
405	SiF⁺	silicon monofluoride cation	sif+
406	SiCl^-	silicon monochloride anion	sicl-
407	SiCl⁺	silicon monochloride cation	sicl+
408	GeF⁺	Germanium monofluoride cation	gef+
409	GeCl⁺	Germanium monochloride cation	gecl+
410	NF^-	nitrogen monofluorine anion	nf-
411	NF⁺	nitrogen monofluoirde cation	nf+
412	PF^-	phosphorus monofluoride anion	pf-
413	PF⁺	phosphorus monofluoride cation	pf+
414	PCl	phosphorus chloride	pcl
415	PCl^-	phosphorus monochloride anion	pcl-
416	PCl⁺	phosphorus monochloride cation	pcl+
417	SbF	Antimony monofluoride	sbf
418	SbCl	Antimony monochloride	sbcl
419	FO^-	flourine oxide anion	fo-
420	FO⁺	fluorine monoxide cation	fo+
421	ClO^-	chlorine monoxide anion	clo-
422	SF^-	sulfur monofluoride anion	sf-
423	SCl^-	sulfur monochloride anion	scl-
424	BrO^-	Bromine monoxide anion	bro-
425	IO	Iodine monoxide	io
426	BrCl	Bromine monochloride	brcl
427	F₂	Fluorine diatomic	f2
428	ClF^-	clorine monofluoride anion	clf-
429	Cl₂	Chlorine diatomic	cl2
430	BrF	Bromine monofluoride	brf
431	BrF^-	bromine fluoride anion	brf-
432	BrF⁺	bromine fluoride cation	brf+
433	BrCl^-	bromine chloride anion	brcl-
434	BrCl⁺	bromine chloride cation	brcl+
435	IF	Iodine monofluoride	if
436	Br₂	Bromine diatomic	br2
437	ICl	Iodine monochloride	icl
438	IBr	Iodine monobromide	ibr
439	I₂	Iodine diatomic	i2
440	I₂⁺	Iodine diatomic cation	i2+
441	HCF	Fluoromethylene	hcf
442	HCCl	Chloromethylene	hccl
443	HSiF	fluorosilylene	hsif
444	HSiCl	Chlorosilylene	hsicl
445	HSiBr	monobromosilylene	hsibr
446	CHBr	bromomethylene	chbr
447	HOF	Hypofluorous acid	hfo
448	DOCl	Hypochlorous acid-d	docl
449	HOCl	hypochlorous acid	hocl
450	HOBr	Hypobromous acid	hobr
451	HOI	Hypoiodous acid	hoi
452	F₂H⁺	Fluorine, protonated	f2h+
453	FHF	Hydrogen difluoride	fhf
454	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
455	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
456	Cl₂H⁺	Chlorine, protonated	cl2h+
457	CH₂F⁺	fluoromethyl cation	ch2f+
458	CH₂Cl⁺	chloromethyl cation	ch2cl+
459	NH₂F	monofluoroamine	nh2f
460	NH₂Cl	chloramine	nh2cl
461	H₂F₂	Hydrogen fluoride dimer	h2f2
462	CD₃F	methylfluoride-d3	cd3f
463	CH₃F	Methyl fluoride	ch3f
464	CD₃Cl	methyl chloride d3	cd3cl
465	CH₃Cl	Methyl chloride	ch3cl
466	SiH₃F	monofluorosilane	sih3f
467	SiH₃Cl	chlorosilane	sih3cl
468	GeH₃F	monofluorogermane	geh3f
469	GeH₃Cl	monochlorogermane	geh3cl
470	SiH₃Br	bromosilane	sih3br
471	CH₃I	methyl iodide	ch3i
472	SiH₃I	Silyl Iodide	sih3i
473	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
474	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
475	NH₄Cl	Ammonium chloride	nh4cl
476	LiNe⁺	Lithium Neon cation	line+
477	Ne₂	Neon diatomic	ne2
478	Ar₂	Argon diatomic	ar2
479	Li₃⁺	Lithium trimer cation	li3+
480	SiC₂	Silicon dicarbide	sic2
481	C₃H₃⁺	cyclopropenyl cation	cpr+
482	C₃H₄	cyclopropene	cprop
483	CH₂CCH₂	allene	allene
484	CH₃CCH	propyne	propyne
485	C₃H₅⁺	Allyl cation	allyl+
486	Zn(CH₃)₂	dimethyl zinc	dmz
487	C₃H₆	Cyclopropane	c3h6
488	CH₂CHCH₃	Propene	propene
489	C₃H₇⁺	cyclopropane, protonated	c3h7+
490	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
491	C₃H₈	Propane	propane
492	SiH₂(CH₃)₂	dimethylsilane	dms
493	Si₃H₈	trisilane	si3h8
494	NaCN	Sodium Cyanide	nacn
495	KCN	Potassium cyanide	kcn
496	CuCN	Copper cyanide	cucn
497	AlCN	Aluminum monocyanide	alcn
498	AlNC	Aluminum isocyanide	alnc
499	CN₂	3H-Diazirin-3-ylidene	cn2
500	N₃^-	azide anion	n3-
501	HCNN	diazomethyl radical	hcnn
502	HNCNH	diiminomethane	hncnh
503	CH₂N₂	diazirine	ch2n2
504	CH₂NN	diazomethane	ch2nn
505	NH₂CN	cyanamide	cyanamide
506	HNNNH⁺	1,2-Triazadienium	n2h3+
507	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
508	CH₃CN	Acetonitrile	ch3cn
509	CH₃NC	methyl isocyanide	ch3nc
510	CHNCH₂	2H-Azirine	c157164
511	CHNHCH	1H-Azirine	chnhch
512	H₂CCNH	Ethenimine	ch2cnh
513	H₂CNCH	methyleneaminomethylene	ch2nch
514	HCCNH₂	Ethynamine	hccnh2
515	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
516	NCNH₃⁺	Cyanamide, protonated	ncnh3+
517	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
518	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
519	NHCHNH₂	aminomethanimine	cn2h4
520	C₂H₅N	Aziridine	c2h5n
521	CH₂CHNH₂	aminoethene	aminoethene
522	CH₂NCH₃	N-methylmethanimine	nmm
523	CH₃CHNH	ethanimine	ethanimine
524	NH₂BHNH₂	diaminoborane	nh2bhnh2
525	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
526	C₂H₆N⁺	aziridine, protonated	c2h6n+
527	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
528	CH₃CH₂NH₂	Ethylamine	etam
529	CH₃NHCH₃	Dimethylamine	ch3nhch3
530	CH₃PHCH₃	dimethylphosphine	ch3phch3
531	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
532	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
533	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
534	Li₂O	dilithium oxide	li2o
535	Li₂S	dilithium sulfide	li2s
536	Na₂O	disodium monoxide	na2o
537	Na₂S	Sodium sulfide	na2s
538	CNO^-	fulminate	cno-
539	NCO^-	cyanate	nco-
540	SCN^-	thiocyanide anion	scn-
541	BO₂^-	Boron dioxide anion	bo2-
542	N₂O	Nitrous oxide	n2o
543	NNS	Nitrogen sulfide	nns
544	PPO	Phosphorus oxide phosphide	ppo
545	CO₂	Carbon dioxide	co2
546	OCS	Carbonyl sulfide	cos
547	SiO₂	silicon dioxide	sio2
548	CS₂	Carbon disulfide	cs2
549	TiO₂	Titanium dioxide	tio2
550	SiS₂	Silicon disulfide	sis2
551	GeO₂	Germanium dioxide	geo2
552	OCSe	Carbonyl selenide	ocse
553	SCSe	Carbon sulfide selenide	scse
554	GeS₂	Germanium disulfide	ges2
555	CSe₂	Carbon diselenide	cse2
556	SCTe	Carbon sulfide Telluride	scte
557	PO₂^-	Phosphorus dioxide anion	po2-
558	O₃	Ozone	o3
559	SSO	Disulfur monoxide	sso
560	S₃	Sulfur trimer	s3
561	SeO₂	Selenium dioxide	seo2
562	TeO₂	Tellurium Dioxide	teo2
563	CS₂H⁺	Carbon disulfide, protonated	cs2h+
564	HCNO	fulminic acid	hcno
565	HNCO	Isocyanic acid	hnco
566	HOCN	cyanic acid	hocn
567	HNCS	Isothiocyanic acid	hncs
568	HSCN	thiocyanic acid	hscn
569	HCO₂^-	formate anion	hco2-
570	HNNO	nitrosoazane	hnno
571	HNNO⁺	Nitrous oxide, N-protonated	hnno+
572	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
573	HNO₂	Nitrous acid	hno2
574	O₃H⁺	protonated ozone	o3h+
575	SO₂H⁺	protonated sulfur dioxide	so2h+
576	C₂H₂O	Oxirene	oxirene
577	CH₂CO	Ketene	ch2co
578	HCCOH	ethynol	hccoh
579	CH₂CS	Thioketene	ch2cs
580	Be(OH)₂	Beryllium hydroxide	beo2h2
581	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
582	NH₂NO	Nitrosamide	nh2no
583	CH₂O₂	Dioxirane	diox
584	H₂COO	Dioxymethyl radical	h2coo
585	H₂COO⁺	dioxymethyl cation	h2coo+
586	HCOOH	Formic acid	ch2o2
587	H₂O₃	Hydrogen trioxide	h2o3
588	HSSSH	trisulfane	hsssh
589	NaOCH₃	Sodium methoxide	naoch3
590	CH₂BOH	hydroxy(methylene)borane	ch2boh
591	BH₃CO	Borane carbonyl	bh3co
592	CH₃BO	Borane, methyloxo-	ch3bo
593	CH₂COH⁺	ketene, protonated	ch2coh+
594	CH₃CO^-	Acetyl anion	ch3co-
595	CH₃CO⁺	acetyl cation	ch3co+
596	CH₂NOH	formaldoxime	ch2noh
597	CH₃NO	nitrosomethane	ch3no
598	CHONH₂	formamide	formamide
599	CNOH₃	1,2-oxaziridine	cnoh3
600	HOCHNH	hydroxymethylimine	hochnh
601	CHSNH₂	thioformamide	chsnh2
602	NHCHSH	Methanimidothioic acid	nhchsh
603	CH₃OO^-	methylperoxy anion	ch3oo-
604	C₂H₄O	Ethylene oxide	c2h4o
605	CH₂CHOH	ethenol	ch2choh
606	CH₃CHO	Acetaldehyde	ch3cho
607	C₂H₄S	Thiirane	thiirane
608	CH₂CHSH	Ethenethiol	ch2chsh
609	CH₃CHS	Thioacetaldehyde	ch3chs
610	H₂CONH₂⁺	protonated formamide	h2conh2+
611	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
612	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
613	CH₂(OH)₂	methanediol	ch2o2h2
614	CH₃OOH	Methyl peroxide	ch3ooh
615	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
616	HSCH₂SH	Methanedithiol	ch4s2
617	H₂OH₂CO	water formaldehyde dimer	h2oh2co
618	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
619	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
620	NH₂CH₂OH	aminomethanol	nh2ch2oh
621	CH₃CH₂OH	Ethanol	etoh
622	CH₃OCH₃	Dimethyl ether	meome
623	CH₃SCH₃	Dimethyl sulfide	mesme
624	CH₃SeCH₃	dimethylselenide	dmse
625	CH₃OHH₂O	methanol water dimer	ch3ohh2o
626	H₂OCH₃OH	water methanol dimer	h2och3oh
627	ZnF₂	Zinc difluoride	znf2
628	CNF	iso cyanogen fluoride	cnf
629	FCN	Cyanogen fluoride	fcn
630	ClCN	chlorocyanogen	clcn
631	BrCN	Cyanogen bromide	brcn
632	ICN	Cyanogen iodide	icn
633	FBO	Boron monofluoride monoxide	fbo
634	BeF₂	Beryllium fluoride	bef2
635	MgF₂	Magnesium fluoride	mgf2
636	BeCl₂	Beryllium chloride	becl2
637	MgCl₂	Magnesium dichloride	mgcl2
638	CaCl₂	Calcium Chloride	cacl2
639	ZnCl₂	Zinc dichloride	zncl2
640	BeBr₂	Beryllium bromide	bebr2
641	CaBr₂	Calcium dibromide	cabr2
642	CaF₂	Calcium difluoride	caf2
643	FCO⁺	Carbonyl fluoride cation	fco+
644	FNO	Nitrosyl fluoride	fno
645	ClNO	Nitrosyl chloride	clno
646	FNS	Thionitrosyl fluoride	fns
647	FSN	Thiazyl fluoride	fsn
648	OPCl	Phosphorus oxychloride	opcl
649	INO	Nitrosyl iodide	ino
650	CF₂	Difluoromethylene	cf2
651	CFCl	chlorofluoromethylene	cfcl
652	CCl₂	dichloromethylene	ccl2
653	SiCl₂	Dichlorosilylene	sicl2
654	GeF₂	Germanium difluoride	gef2
655	GeCl₂	Germanium dichloride	gecl2
656	CBr₂	dibromomethylene	cbr2
657	PF₂⁺	Phosphorus difluoride cation	pf2+
658	FClO	chlorosyl fluoride	fclo
659	F₂O	Difluorine monoxide	f2o
660	ClOF	Chlorine hypofluorite	clof
661	SF₂	sulfur difluoride	sf2
662	Cl₂O	Dichlorine monoxide	cl2o
663	SCl₂	Sulfur dichloride	scl2
664	SeF₂	Selenium difluoride	sef2
665	SeCl₂	Selenium Dichloride	secl2
666	SBr₂	Sulfur dibromide	sbr2
667	SeBr₂	Selenium dibromide	sebr2
668	F₃^-	trifluoride anion	f3-
669	Cl₃^-	trichloride anion	cl3-
670	Br₃^-	tribromide anion	br3-
671	I₃^-	triiodide	i3-
672	SFCl	Sulfur chloride fluoride	sfcl
673	HCCF	Fluoroacetylene	hccf
674	HCCCl	Chloroacetylene	hcccl
675	HCCBr	bromoacetylene	hccbr
676	HFCO	formyl fluoride	hfco
677	BHF₂	Difluoroborane	bhf2
678	BHCl₂	Borane, dichloro-	bhcl2
679	CHF₂⁺	difluoromethyl cation	chf2+
680	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
681	CHCl₂⁺	dichloromethyl cation	chcl2+
682	HOClO	Chlorous acid	hoclo
683	NHF₂	difluoramine	nhf2
684	NHCl₂	dichloroamine	nhcl2
685	CH₂F₂	Methane, difluoro-	ch2f2
686	CH₂FCl	fluorochloromethane	ch2fcl
687	SiH₂F₂	difluorosilane	sih2f2
688	CH₂Cl₂	Methylene chloride	ch2cl2
689	CH₂BrF	Methane, bromofluoro-	ch2fbr
690	CH₂BrCl	Methane, bromochloro-	ch2clbr
691	CH₂FI	fluoroiodomethane	ch2fi
692	CH₂Br₂	dibromomethane	ch2br2
693	CH₂ClI	chloroiodomethane	ch2cli
694	CH₂BrI	bromoiodomethane	ch2bri
695	CH₂I₂	Diiodomethane	ch2i2
696	SiH₂Cl₂	dichlorosilane	sih2cl2
697	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
698	CH₂CHF⁺	fluoroethene cation	ch2chf+
699	C₂H₃Cl	Ethene, chloro-	ch2chcl
700	C₂H₃Br	vinyl bromide	c2h3br
701	C₂H₃I	Vinyl iodide	c2h3i
702	CH₂FOH	fluoromethanol	ch2foh
703	C₂H₅F	fluoroethane	c2h5f
704	CH₃CH₂Cl	Ethyl chloride	c2h5cl
705	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
706	C₂H₅Br	Ethyl bromide	etbr
707	C₂H₅I	Ethyl iodide	c2h5i
708	KrF₂	Krypton difluoride	krf2
709	XeF₂	Xenon difluoride	xef2
710	B₄H₁₀	Tetraborane(10)	b4h10
711	C₄⁺	Carbon tetramer cation	c4+
712	C₄H₂	Diacetylene	c4h2
713	C₂H₃CCH	1-Buten-3-yne	c2h3cch
714	C₄H₄	cyclobutadiene	cbd
715	C₄H₄	Tetrahedrane	c4h4
716	H₂CCCCH₂	Butatriene	h2cccch2
717	C₄H₆	1-Methylcyclopropene	c3100047
718	C₄H₆	Cyclobutene	c822355
719	C₄H₆	Methylenecyclopropane	c6142730
720	CH₂CCHCH₃	1,2-Butadiene	butad12
721	CH₂CHCHCH₂	1,3-Butadiene	c106990
722	CH₃CCCH₃	2-Butyne	c503173
723	CHCCH₂CH₃	1-Butyne	c107006
724	C₄H₈	methylcyclopropane	mcp
725	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
726	CH₂CHCH₂CH₃	1-Butene	bute1
727	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
728	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
729	B(CH₃)₃	trimethylborane	bme3
730	Al(CH₃)₃	trimethyl aluminum	tma
731	CH₃CH(CH₃)CH₃	Isobutane	isobutane
732	CH₃CH₂CH₂CH₃	Butane	butane
733	SiH(CH₃)₃	trimethylsilane	trimsi
734	Li₃N	trilithium nitride	li3n
735	C₂N₂	Cyanogen	c2n2
736	P₄	Phosphorus tetramer	p4
737	As₄	Arsenic tetramer	as4
738	HCCCN	Cyanoacetylene	hcccn
739	H₂CNCN	cyanamide, methylene	ch2ncn
740	HNCCNH	Ethenediimine	hnccnh
741	C₃H₃N	acrylonitrile	ch2chcn
742	CH₃N₃	methyl azide	ch3n3
743	NH₂CCNH₂	Diaminoacetylene	daa
744	NH₂CH₂CN	Aminoacetonitrile	aan
745	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
746	C₂H₅CN	ethyl cyanide	c2h5cn
747	CH₅N₃	Guanidine	guanidine
748	C₄H₆	Bicyclo[1.1.0]butane	c157335
749	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
750	H₂NCHCHNH₂	diaminoethylene	dae
751	CH₆N₃⁺	guanidinium	ch6n3+
752	C₃H₇N	Cyclopropylamine	cpram
753	CH₇N₃	triaminomethane	tam
754	C₃H₇N	Azetidine	azet
755	C₄H₈	cyclobutane	cbutane
756	C₂H₈N₂	Ethylenediamine	ethdiam
757	CH₃NHNHCH₃	dimethyl hydrazine	dmh
758	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
759	N(CH₃)₃	Trimethylamine	trimeam
760	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
761	P(CH₃)₃	trimethylphosphine	tmp
762	N(SiH₃)₃	trisilylamine	tsa
763	As(CH₃)₃	trimethyl arsine	tmas
764	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
765	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
766	Li₂O₂	dilithium dioxide	li2o2
767	Na₂O₂	disodium dioxide	na2o2
768	K₂O₂	dipotassium dioxide	k2o2
769	C₃O	Tricarbon monoxide	c3o
770	B₂O₂	Diboron dioxide	b2o2
771	ONNO	NO dimer	onno
772	S₂N₂	Disulfur dinitride	s2n2
773	CO₃	Carbon trioxide	co3
774	CO₃^--	carbonate	co3--
775	CS₃^--	Carbonotrithioate	cs3--
776	NO₃	Nitrogen trioxide	no3
777	NO₃^-	nitrate anion	no3-
778	SO₃	Sulfur trioxide	so3
779	SO₃^--	Sulfate dianion	so3--
780	SeO₃	selenium trioxide	seo3
781	S₄	Sulfur tetramer	s4
782	TeO₃	Tellurium trioxide	teo3
783	HCO₃^-	bicarbonate anion	hco3-
784	HNO₃	Nitric acid	hno3
785	NH₂NO₂	nitramide	nh2no2
786	C₂H₂CO	cyclopropenone	c2h2co
787	C₃H₂O	Propadienal	c3h2o
788	HCCCHO	2-propynal	hcccho
789	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
790	H₂CO₃	Carbonic acid	h2co3
791	H₂CS₃	thiocarbonic acid	h2cs3
792	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
793	H₂SO₃	Sulfurous acid	h2so3
794	C₂H₃NO	Nitrosoethylene	c2h3no
795	CH₃NCO	methylisocyante	ch3nco
796	HOCH₂CN	cyanomethanol	hoch2cn
797	CH₃COO^-	acetate anion	ch3coo-
798	CH₃NO₂	Methane, nitro-	ch3no2
799	CH₃ONO	Methyl nitrite	ch3ono
800	NH₂COOH	Carbamic acid	nh2cooh
801	H₃BO₃	Boric acid	h3bo3
802	H₃AlO₃	Aluminum hydroxide	h3alo3
803	H₃CO₃⁺	carbonic acid, protonated	h3co3+
804	C₃H₄O	2-Propyn-1-ol	c107197
805	C₃H₄O	allenol	c9000071
806	C₃H₄O	Cyclopropanone	cpone
807	C₃H₄O	Methylketene	c6004440
808	CH₂CHCHO	Acrolein	c3h4o
809	NH₂CONH₂	Urea	urea
810	NH₂CONH₂⁺	Urea cation	urea+
811	NH₂CSNH₂	Thiourea	thiourea
812	C₂H₄O₂	1,3-dioxetane	c2h4o2
813	CH₃COOH	Acetic acid	ch3cooh
814	CH₃OCHO	methyl formate	ch3ocho
815	CHOCH₂OH	hydroxy acetaldehyde	haa
816	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
817	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
818	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
819	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
820	HCOOHH₂O	Formic acid water dimer	hcoohh2o
821	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
822	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
823	CH₃C(OH)=NH	Ethaninidic acid	eia
824	CH₃CHNOH	Acetaldoxime	acetaldoxime
825	CH₃CONH₂	Acetamide	acetamide
826	HCONHCH₃	N-methylformamide	nmfa
827	CH₃CSNH₂	Ethanethioamide	ch3csnh2
828	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
829	H₂NCOHNH₂⁺	urea, protonated	ureah+
830	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
831	C₃H₅OH	Cyclopropanol	cproh
832	C₃H₆O	2-Propen-1-ol	c107186
833	C₃H₆O	Acetone enol	enol
834	C₃H₆O	Oxetane	oxetane
835	C₃H₆O	Propylene oxide	prox
836	CH₃CH₂CHO	Propanal	propanal
837	CH₃COCH₃	Acetone	acetone
838	C₃H₆S	Thietane	thietane
839	C₃H₆S	Thiirane, methyl-	methiirane
840	CH₃CSCH₃	Thioacetone	ch3csch3
841	C₂H₆O₂	1,2-Ethanediol	ethdiol
842	CH₃OOCH₃	dimethylperoxide	dmp
843	CH₃SOCH₃	Dimethyl sulfoxide	dmso
844	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
845	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
846	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
847	HOCH₂CH₂NH₂	monoethanolamine	mea
848	C₃H₇OH	1-Propanol	proh
849	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
850	CH₃OC₂H₅	Ethane, methoxy-	etome
851	C₃H₇SH	1-Propanethiol	prsh
852	CH₃CHSHCH₃	2-Propanethiol	isoprsh
853	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
854	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
855	Li₂F₂	Lithium fluoride dimer	li2f2
856	Na₂F₂	Sodium Fluoride Dimer	na2f2
857	Na₂Cl₂	Disodium dichloride	na2cl2
858	C₂F₂	difluoroacetylene	c2f2
859	C₂Cl₂	dichloroacetylene	c2cl2
860	FNO₂	Nitryl fluoride	fno2
861	FONO	Nitrosyl hypofluorite	fono
862	ClNO₂	Nitryl chloride	clno2
863	ClONO	chlorine nitrite	clono
864	N₂F₂	(Z)-Difluorodiazene	n2f2_z
865	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
866	CF₂O	Carbonic difluoride	f2co
867	CCl₂O	Phosgene	cl2co
868	Cl₂CS	Thiophosgene	cl2cs
869	BF₃	Borane, trifluoro-	bf3
870	AlF₃	Aluminum trifluoride	alf3
871	BClF₂	Chlorodifluoroborane	bclf2
872	AlF₂Cl	Aluminum chloride difluoride	alclf2
873	ScF₃	Scandium trifluoride	ScF3
874	AlFCl₂	Aluminum dichloride fluoride	alcl2f
875	BCl₃	Borane, trichloro-	bcl3
876	GaF₃	Gallium trifluoride	gaf3
877	AlCl₃	Aluminum trichloride	alcl3
878	GaCl₃	Gallium trichloride	gacl3
879	BBr₃	Boron tribromide	bbr3
880	AlBr₃	Aluminum Bromide	albr3
881	ClO₃	Chlorine trioxide	clo3
882	ClO₃^-	chlorate anion	clo3-
883	BrO₃^-	Bromate anion	bro3-
884	SiCl₃	trichlorosilyl radical	sicl3
885	SiCl₃⁺	trichlorosilyl cation	sicl3+
886	FOOF	Perfluoroperoxide	foof
887	ClO₂F	Chloryl fluoride	clo2f
888	F₂SO	Thionyl Fluoride	f2so
889	ClOOCl	Dichlorine dioxide	cloocl
890	FSSF	Difluorodisulfane	fssf
891	S₂F₂	Thio-thionyl fluoride	s2f2
892	SOCl₂	thionyl chloride	socl2
893	SSCl₂	Thiothionyl chloride	sscl2
894	SeOCl₂	selenium oxychloride	seocl2
895	PF₃	Phosphorus trifluoride	pf3
896	NCl₃	nitrogen trichloride	ncl3
897	AsF₃	Arsenic trifluoride	asf3
898	PCl₃	Phosphorus trichloride	pcl3
899	SbF₃	Antimony Trifluoride	sbf3
900	AsCl₃	Arsenous trichloride	ascl3
901	SbCl₃	Antimony Trichloride	sbcl3
902	NBr₃	Nitrogen Tribromide	nbr3
903	PBr₃	Phosphorus tribromide	pbr3
904	AsBr₃	Arsenic tribromide	asbr3
905	NI₃	Nitrogen triiodide	ni3
906	PI₃	Phosphorus triiodide	pi3
907	ClSSCl	Disulfur dichloride	s2cl2
908	ClF₃	Chlorine trifluoride	clf3
909	BrF₃	Bromine trifluoride	brf3
910	IF₃	iodone trifluoride	if3
911	HClO₃	Chloric Acid	hclo3
912	CHF₃	Methane, trifluoro-	chf3
913	CHF₂Cl	difluorochloromethane	chf2cl
914	SiHF₃	trifluorosilane	sihf3
915	CHFCl₂	fluorodichloromethane	chfcl2
916	CDCl₃	trichloromethane-d	cdcl3
917	CHCl₃	Chloroform	chcl3
918	SiHCl₃	Trichlorosilane	sihcl3
919	CHFClBr	fluorochlorobromomethane	chfclbr
920	CHF₂I	difluoroiodomethane	chf2i
921	CHBr₂F	dibromofluoromethane	chbr2f
922	CHFClI	fluorochloroiodomethane	chfcli
923	CHCl₂I	dichloroiodomethane	chcl2i
924	CHBr₃	bromoform	chbr3
925	CHI₃	Iodoform	chi3
926	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
927	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
928	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
929	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
930	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
931	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
932	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
933	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
934	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
935	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
936	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
937	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
938	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
939	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
940	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
941	CH₃COF	Acetyl fluoride	ch3cof
942	CH₃COCl	Acetyl Chloride	ch3cocl
943	C₂H₄F₂	1,2-difluoroethane	c2h4f2
944	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
945	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
946	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
947	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
948	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
949	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
950	CH₂CFCH₃	2-fluoropropene	2fpro
951	CH₂CHCH₂F	Allyl Fluoride	allylf
952	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
953	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
954	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
955	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
956	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
957	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
958	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
959	CH₂FCH₂CH₃	1-Fluoropropane	prf1
960	CH₃CHFCH₃	2-Fluoropropane	prf2
961	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
962	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
963	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
964	B₅H₉	pentaborane9	b5h9
965	C₅H₄	pentatetraene	ptrene
966	C₅H₅^-	cylopentadienyl anion	c5h5-
967	C₅H₆	1,3-Cyclopentadiene	c542927
968	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
969	C₅H₆	3-Penten-1-yne, (E)-	c2004695
970	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
971	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
972	C₅H₆	Cyclopropylacetylene	c6746947
973	C₅H₆	Propellane	propellane
974	C₅H₇	1,3-pentadienyl radical	pdyl
975	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
976	C₅H₈	1,2-Pentadiene	c591957
977	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
978	C₅H₈	1,3-Pentadiene, (E)-	c2004708
979	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
980	C₅H₈	1,4-Pentadiene	c591935
981	C₅H₈	1-pentyne	a1pentyne
982	C₅H₈	2,3-Pentadiene	c591968
983	C₅H₈	Bicyclo[1.1.1]pentane	bcp
984	C₅H₈	Cyclobutane, methylene-	c1120565
985	C₅H₈	Cyclopentene	c142290
986	C₅H₈	Ethenylcyclopropane	c693867
987	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
988	C₅H₁₀	1-Butene, 2-methyl-	c563462
989	C₅H₁₀	2-Butene, 2-methyl-	c513359
990	C₅H₁₀	2-Pentene, (E)-	c646048
991	C₅H₁₀	2-Pentene, (Z)-	c627203
992	C₅H₁₀	Cyclopentane	c287923
993	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
994	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
995	C₅H₁₂	Butane, 2-methyl-	buta2
996	C₅H₁₂	Pentane	pentane
997	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
998	Si(CH₃)₄	tetramethylsilane	tms
999	N₂O₃	Dinitrogen trioxide	n2o3
1000	C₃H₂N₂	Malononitrile	c3h2n2
1001	CH₂N₄	1H-Tetrazole	1htz
1002	C₃H₃N₂^-	imidizolyl anion	im-
1003	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1004	C₄H₄N^-	pyrrolide anion	c4h4n-
1005	C₃H₄N₂	1H-Imidazole	1himidaz
1006	C₃H₄N₂	1H-Pyrazole	1hpyraz
1007	C₃H₄N₂	2H-Imidazole	imid2h
1008	C₃H₄N₂	4H-Imidazole	imid4h
1009	C₄H₅N	(E)-2-Butenenitrile	c627269
1010	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1011	C₄H₅N	2H-pyrrole	pyrrole2
1012	C₄H₅N	3H-pyrrole	pyrrole3
1013	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1014	C₄H₅N	Pyrrole	pyrrole
1015	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1016	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1017	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1018	C₄H₆N⁺	pyrrole, protonated	ppyr
1019	C₃H₆N₂	3-Aminopropionitrile	c151188
1020	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1021	CH₃CH₂CH₂CN	Butanenitrile	c109740
1022	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1023	C₅H₈	Spiropentane	c157404
1024	C₄H₉N	Cyclobutylamine	cbam
1025	C₄H₉N	Pyrrolidine	pyrrolidine
1026	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1027	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1028	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1029	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1030	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1031	NH(C₂H₅)₂	diethylamine	dea
1032	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1033	C₃O₂	Carbon suboxide	c3o2
1034	B₂O₃	diboron trioxide	b2o3
1035	MgCO₃	Magnesium Carbonate	mgco3
1036	BeCO₃	Beryllium Carbonate	beco3
1037	CaCO₃	Calcium Carbonate	caco3
1038	ONONO	Nitrosyl nitrite	onono
1039	PO₄^---	phosphate	po4---
1040	SO₄^--	sulfate	so4--
1041	HOONO₂	peroxy nitric acid	hoono2
1042	HSO₄^-	bisulfate anion	hso4-
1043	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1044	C₃H₂O₂	Propiolic acid	c3h2o2
1045	CHOCOOH	oxo acetic acid	oaa
1046	CHOOCHO	diformyl ether	choocho
1047	H₂SO₄	Sulfuric acid	h2so4
1048	H₂SeO₄	Selenic acid	h2seo4
1049	C₃H₃NO	Isoxazole	isox
1050	C₃H₃NO	Oxazole	oxazole
1051	C₃H₃NS	Thiazole	thiazole
1052	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1053	CH₃NO₃	Methyl nitrate	ch3no3
1054	H₃PO₄	Phosphoric Acid	h3po4
1055	C₄H₄O	Furan	furan
1056	C₄H₄O⁺	Furan cation	furan+
1057	CH₃COCCH	3-butyn-2-one	c1423605
1058	C₄H₄S	Thiophene	furans
1059	C₄H₄Se	selenophene	c4h4se
1060	C₃H₄O₂	β–Propiolactone	beta
1061	C₃H₄O₂	2-Propenoic acid	propenoic2
1062	C₃H₄O₂	Methyl glyoxal	megly
1063	C₃H₄O₂	propanedial	propanedial
1064	C₃H₄O₂	propenalol	propenalol
1065	HOCHCCHOH	allenediol	aldiol
1066	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1067	C₂H₄O₃	trioxolane124	triox
1068	HOCH₂COOH	Hydroxyacetic acid	hac
1069	CH₂CHCONH₂	Acrylamide	c79061
1070	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1071	CH₅N₃S	Hydrazinecarbothioamide	c79196
1072	H₂NCH₂COOH	Glycine	glycine
1073	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1074	C₄H₆O	cis-2-butenal	butenal2c
1075	C₄H₆O	Cyclobutanone	cbutone
1076	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1077	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1078	CH₂CHOCHCH₂	Vinyl ether	vinylether
1079	CHOCHCHCH₃	2-Butenal	butenal2
1080	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1081	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1082	CH₂CHSCHCH₂	Divinyl sulfide	divis
1083	C₂H₆N₂O	Urea, methyl-	c598505
1084	C₃H₆O₂	1,3-Dioxolane	dioxolane
1085	CH₃CH₂COOH	Propanoic Acid	propanoic
1086	CH₃COOCH₃	methyl acetate	aame
1087	HCOOC₂H₅	Ethyl formate	faee
1088	C₂H₆O₂S	Dimethyl sulfone	c67710
1089	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1090	C₃H₇NO	dimethylformamide	dmf
1091	C₃H₇NO	Propanamide	propanam
1092	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1093	C₄H₈O	Cyclobutanol	c2919235
1094	C₄H₈O	Furan, tetrahydro-	thf
1095	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1096	CH₃COCH₂CH₃	2-Butanone	buta2one
1097	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1098	CHOCH₂CH₂CH₃	Butanal	butanal
1099	C₄H₈S	Thiophene, tetrahydro-	tht
1100	C₃H₈O₂	1,3-Propanediol	c504632
1101	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1102	C₃H₈O₂	Methane, dimethoxy-	c109875
1103	C₃H₈O₂	Propylene glycol	c57556
1104	C₃H₈S₂	1,3-Propanedithiol	c109808
1105	C₄H₁₀O	1-Butanol	butanol1
1106	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1107	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1108	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1109	C₄H₁₀O	Ethoxy ethane	etoet
1110	C₄H₁₀O	Methyl propyl ether	meopr
1111	C₄H₁₀O	Propane, 2-methoxy-	c598538
1112	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1113	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1114	C₂H₅SC₂H₅	Diethyl sulfide	etset
1115	C₄H₉SH	1-Butanethiol	bush
1116	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1117	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1118	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1119	FNO₃	Fluorine nitrate	fno3
1120	ClONO₂	Chlorine nitrate	clono2
1121	BrONO₂	Bromine nitrate	brono2
1122	TiCl₄	Titanium tetrachloride	ticl4
1123	ClO₄^-	perchlorate anion	clo4-
1124	BF₄^-	tetrafluoroboron anion	bf4-
1125	ClFO₃	Perchloryl fluoride	clfo3
1126	SO₂F₂	Sulfuryl fluoride	so2f2
1127	SO₂Cl₂	Sulfuryl chloride	so2cl2
1128	F₃NO	Nitrogen trifluoride oxide	f3no
1129	F₃PO	Phosphoryl fluoride	pf3o
1130	Cl₃PO	Phosphoryl chloride	pcl3o
1131	CF₄	Carbon tetrafluoride	cf4
1132	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1133	SiF₄	Silicon tetrafluoride	sif4
1134	CF₂Cl₂	difluorodichloromethane	cf2cl2
1135	TiF₄	Titanium tetrafluoride	tif4
1136	CFCl₃	Trichloromonofluoromethane	cfcl3
1137	CF₃Br	Bromotrifluoromethane	cf3br
1138	GeF₄	Germanium tetrafluoride	gef4
1139	CCl₄	Carbon tetrachloride	ccl4
1140	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1141	SiCl₄	Silane, tetrachloro-	sicl4
1142	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1143	CF₃I	trifluoroiodomethane	cf3i
1144	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1145	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1146	GeCl₄	Germanium Tetrachloride	gecl4
1147	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1148	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1149	CCl₃I	trichloroiodomethane	ccl3i
1150	CFBr₃	fluorotribromomethane	cfbr3
1151	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1152	CBr₃Cl	tribromochloromethane	cbr3cl
1153	CF₂I₂	difluorodiiodomethane	cf2i2
1154	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1155	SiBr₄	Silicon tetrabromide	sibr4
1156	CBr₃I	tribromoiododmethane	cbr3i
1157	GeBr₄	Germanium tetrabromide	gebr4
1158	CI₄	tetraiodomethane	ci4
1159	SiI₄	silicon tetraiodide	sii4
1160	ClOF₃	Chlorine trifluoride oxide	clof3
1161	SF₄	Sulfur tetrafluoride	sf4
1162	SeF₄	Selenium tetrafluoride	sef4
1163	SCl₄	Sulfur tetrachloride	scl4
1164	C₂HF₃	Trifluoroethylene	c2hf3
1165	CHClCCl₂	Trichloroethylene	chclccl2
1166	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1167	HClO₄	perchloric acid	hclo4
1168	HSO₃F	Fluorosulfonic acid	hso3f
1169	CF₃OH	trifluoromethanol	cf3oh
1170	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1171	CHClCCHCl	1,3-dichloroallene	chclcchcl
1172	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1173	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1174	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1175	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1176	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1177	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1178	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1179	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1180	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1181	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1182	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1183	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1184	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1185	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1186	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1187	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1188	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1189	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1190	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1191	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1192	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1193	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1194	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1195	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1196	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1197	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1198	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1199	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1200	C₄H₉F	1-fluorobutane	butaf1
1201	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1202	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1203	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1204	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1205	XeF₄	Xenon tetrafluoride	xef4
1206	C₂H₂N₂O	Furazan	furazan
1207	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1208	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1209	C₆H₂	hexatriyne	c6h2
1210	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1211	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1212	C₆H₄	Benzyne	benzyne
1213	C₆H₅^-	phenyl anion	phenyl-
1214	C₆H₆	Prismane	prismane
1215	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1216	C₆H₆	2,4-Hexadiyne	hexadiyne
1217	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1218	C₆H₆	Benzene	benzene
1219	C₆H₆	Benzvalene	bv
1220	C₆H₆	Dewar Benzene	dewar
1221	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1222	C₆H₆	Trimethylenecycopropane	tmcp
1223	C₆H₆⁺	Benzene cation	c6h6+
1224	C₆H₇⁺	benzene, protonated	c6h7+
1225	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1226	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1227	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1228	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1229	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1230	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1231	C₆H₈	3-Methylenecyclopentene	c930267
1232	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1233	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1234	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1235	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1236	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1237	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1238	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1239	C₆H₁₀	1,5-Hexadiene	c592427
1240	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1241	C₆H₁₀	1-Hexyne	hexyne1
1242	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1243	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1244	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1245	C₆H₁₀	2-Hexyne	c764352
1246	C₆H₁₀	3-Hexyne	hexyne3
1247	C₆H₁₀	cyclohexene	cyclohexene
1248	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1249	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1250	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1251	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1252	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1253	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1254	C₆H₁₂	(E)-2-Hexene	e2hexene
1255	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1256	C₆H₁₂	(E)-hex-3-ene	e3hexene
1257	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1258	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1259	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1260	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1261	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1262	C₆H₁₂	3-methylenepentane	c760214
1263	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1264	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1265	C₆H₁₂	Cyclohexane	cyclohexane
1266	C₆H₁₂	Cyclopentane, methyl-	c96377
1267	C₆H₁₂	Ethylcyclobutane	c4806615
1268	C₆H₁₂	hex-1-ene	hexene1
1269	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1270	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1271	C₆H₁₄	Hexane	hexane
1272	C₆H₁₄	Pentane, 2-methyl-	penta2
1273	C₆H₁₄	Pentane, 3-methyl-	penta3
1274	C₄N₂	2-Butynedinitrile	c4n2
1275	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1276	C₄H₂N₂	Fumaronitrile	c4h2n2
1277	C₂H₂N₄	sym-tetrazine	ttz
1278	C₃H₃N₃	1,3,5-Triazine	triazine135
1279	CH₃N₅	5-Aminotetrazole	c4418615
1280	C₄H₄N₂	1,3-Diazine	diazine13
1281	C₄H₄N₂	Pyrazine	pyrazine
1282	C₄H₄N₂	Pyridazine	pyridazine
1283	C₄H₄N₂	Succinonitrile	c110612
1284	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1285	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1286	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1287	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1288	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1289	C₅H₅N	Pyridine	pyridine
1290	B₃N₃H₆	borazine	borazine
1291	C₆H₆	Fulvene	fulvene
1292	C₅H₆N⁺	Pyridinium	c5h6n
1293	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1294	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1295	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1296	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1297	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1298	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1299	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1300	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1301	C₅H₉N	Pentanenitrile	c110598
1302	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1303	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1304	C₅H₁₁N	Cyclopentanamine	cypentam
1305	C₅H₁₁N	Piperidine	piper
1306	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1307	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1308	Li₂CO₃	Lithium Carbonate	li2co3
1309	Na₂CO₃	Sodium Carbonate	na2co3
1310	C₂O₄^--	oxalate anion	c2o4
1311	MgSO₄	Magnesium Sulfate	mgso4
1312	N₂O₄	Dinitrogen tetroxide	n2o4
1313	C₃H₂O₃	vinylene carbonate	vica
1314	C₂H₂O₄	Oxalic Acid	oxalic
1315	C₂H₃NO₃	Oxamic acid	oxamic
1316	C₄H₄O₂	2(5H)-Furanone	furanone
1317	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1318	C₂H₄N₂O₂	Oxalamide	oxalamide
1319	C₂H₄N₂S₂	Ethanedithioamide	c79403
1320	C₂H₄CO₃	Ethylene carbonate	etco3
1321	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1322	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1323	C₂H₄O₄	Formic acid dimer	fadimer
1324	C₄H₅NO	3-Methylisoxazole	isox3m
1325	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1326	C₄H₅NS	4-Methylthiazole	c693958
1327	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1328	C₅H₆O	2H-Pyran	pyran2
1329	C₅H₆O	2-methylfuran	furan2m
1330	C₅H₆O	3-Methylfuran	furan3m
1331	C₅H₆O	Pentadienal	pdal
1332	C₅H₆S	Thiophene, 2-methyl-	c554143
1333	C₅H₆S	Thiophene, 3-methyl-	c616444
1334	C₄H₆O₂	γ–Butyrolactone	c96480
1335	C₄H₆O₂	2,3-Butanedione	c431038
1336	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1337	C₄H₆O₂	Crotonic Acid	crot
1338	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1339	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1340	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1341	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1342	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1343	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1344	C₄H₆OS	Vinyl sulfoxide	c1115157
1345	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1346	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1347	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1348	C₃H₆O₃	1,3,5-Trioxane	trioxane
1349	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1350	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1351	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1352	C₄H₇NO	2-Pyrrolidinone	c616455
1353	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1354	C₄H₇NO	Methacrylamide	c79390
1355	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1356	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1357	C₃H₇ONO	Propyl nitrite	prono
1358	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1359	CH₃CH(NH₂)COOH	Alanine	alanine
1360	CH₃NHCH₂COOH	Sarcosine	sarcosine
1361	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1362	NH₂COOC₂H₅	Urethane	urethane
1363	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1364	C₅H₈O	Cyclopentanone	c120923
1365	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1366	C₅H₈O	Methyl cyclopropyl ketone	c765435
1367	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1368	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1369	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1370	C₄H₈O₂	1,3-Dioxane	dioxan13
1371	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1372	C₄H₈O₂	1,4-Dioxane	dioxan14
1373	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1374	C₄H₈O₂	Ethyl acetate	c141786
1375	C₄H₈OS	s-Ethyl thioacetate	c625605
1376	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1377	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1378	C₄H₉NO	Butanamide	c541355
1379	C₄H₉NO	Propanamide, 2-methyl-	c563837
1380	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1381	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1382	C₅H₁₀O	2-methylbutyraldehyde	2meba
1383	C₅H₁₀O	2-Pentanone	mpk
1384	C₅H₁₀O	3-Pentanone	dek
1385	C₅H₁₀O	Cyclopentanol	c96413
1386	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1387	C₅H₁₀O	Pentanal	pal
1388	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1389	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1390	C₅H₁₀S	Cyclopentanethiol	c1679078
1391	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1392	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1393	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1394	C₄H₁₀O₂	1,3-Butanediol	budiol13
1395	C₄H₁₀O₂	1,4-Butanediol	budiol14
1396	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1397	C₄H₁₀OS	Diethyl sulfoxide	c70291
1398	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1399	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1400	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1401	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1402	C₅H₁₂O	1-Pentanol	pentanol1
1403	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1404	C₅H₁₂O	2-Pentanol	peol2
1405	C₅H₁₂O	3-Pentanol	pentan3ol
1406	C₅H₁₂O	Butane, 1-methoxy-	meobu
1407	C₅H₁₂O	Propane, 1-ethoxy-	proet
1408	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1409	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1410	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1411	C₅H₁₂S	1-Pentanethiol	c110667
1412	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1413	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1414	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1415	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1416	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1417	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1418	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1419	C₄F₂	difluorobutadiyne	c4f2
1420	ClCOClCO	Oxalyl chloride	oxcl
1421	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1422	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1423	B₂F₄	Diboron tetrafluoride	b2f4
1424	B₂Cl₄	Diboron tetrachloride	b2cl4
1425	C₂F₄	Tetrafluoroethylene	c2f4
1426	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1427	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1428	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1429	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1430	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1431	C₂FCl₃	fluorotrichloroethene	c2fcl3
1432	C₂Cl₄	Tetrachloroethylene	c2cl4
1433	C₂Br₄	tetrabromoethene	c2br4
1434	CF₃OF	Trifluoromethylhypofluorite	cf3of
1435	SiF₅^-	silicon pentafluoride anion	sif5-
1436	SOF₄	Sulfur tetrafluoride oxide	sof4
1437	PF₅	Phosphorus pentafluoride	pf5
1438	AsF₅	Arsenic pentafluoride	asf5
1439	PCl₅	Phosphorus pentachloride	pcl5
1440	SF₅⁺	pentafluoro sulfur cation	sf5+
1441	SbCl₅	Antimony pentachloride	sbcl5
1442	BrF₅	bromine pentafluoride	brf5
1443	ClF₅	chlorinepentafluoride	clf5
1444	IF₅	pentafluoroiodine	if5
1445	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1446	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1447	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1448	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1449	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1450	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1451	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1452	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1453	CF₃COOH	trifluoroacetic acid	cf3cooh
1454	C₄H₃ClO	Furan, 2-chloro	fur2cl
1455	C₄H₃ClO	Furan,3-chloro	fur3cl
1456	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1457	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1458	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1459	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1460	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1461	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1462	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1463	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1464	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1465	C₄H₈O₂	Butanoic acid	bua
1466	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1467	C₆H₅CH₃	toluene	toluene
1468	C₇H₈	cycloheptatriene	cht
1469	C₇H₈	Norbornadiene	norbor
1470	C₇H₈	Quadricyclane	qucy
1471	C₇H₁₂	Norbornane	nor
1472	C₇H₁₄	cycloheptane	c7h14
1473	C₇H₁₆	2-methylhexane	2mhex
1474	C₇H₁₆	3-methylhexane	hex3m
1475	C₇H₁₆	heptane	heptane
1476	CH(CN)₃	tricyanomethane	mecn3
1477	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1478	C₆H₇N	2-Methylpyridine	mp
1479	C₆H₅NH₂	aniline	aniline
1480	C₆H₁₃N	2-Methylpiperidine	pip2m
1481	C₆H₁₅N	triethylamine	tea
1482	N₂O₅	Dinitrogen pentoxide	n2o5
1483	C₄H₂O₃	Maleic Anhydride	malan
1484	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1485	C₅H₄O₂	furfural	furfural
1486	C₅H₅NO	2(1H)-Pyridinone	c72762006
1487	C₅H₅NO	2(3H)-Pyridinone	c9000048
1488	C₅H₅NO	2(5H)-Pyridinone	c9000037
1489	C₅H₅NO	2-Pyridinol	c109104
1490	C₅H₅NO	3(2H)-Pyridinone	c9000004
1491	C₅H₅NO	3(4H)-Pyridinone	c9000026
1492	C₅H₅NO	3(6H)-Pyridinone	c9000015
1493	C₅H₅NO	3-Pyridinol	c109002
1494	C₅H₅NO	4(1H)-Pryidinone	c9000060
1495	C₅H₅NO	4(3H)-Pryidinone	c9000059
1496	C₅H₅NO	4-Pyridinol	c626642
1497	C₆H₅OH	phenol	phenol
1498	C₆H₆O	2,4-Cyclohexadienone	c24599573
1499	C₆H₆O	2,5-Cyclohexadienone	c5664335
1500	C₆H₅SH	Benzenethiol	phsh
1501	HO₂CCHNH₂CH₂OH	Serine	serine
1502	C₅H₈O₂	Acetylacetone	acac
1503	C₄H₈O₂S	Sulfolane	sulfolane
1504	C₇H₁₀	Norbornene	norbornene
1505	CH(C₂H₃)₃	trivinyl methane	tvm
1506	C₆H₁₀O	cyclohexanone	chexo
1507	C₆H₁₂O	hexanal	c6h12o
1508	C₆H₁₂O	Oxepane	oxepane
1509	C₃H₇OC₃H₇	di-n-propyl ether	propr
1510	F₂CCCF₂	tetrafluoroallene	pfa
1511	CF₃COO^-	trifluoro acetate anion	cf3coo-
1512	CF₃COF	trifluoroacetyl fluoride	cf3cof
1513	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1514	PF₆^-	Hexafluorophosphate ion	pf6-
1515	SF₆	Sulfur Hexafluoride	sf6
1516	SeF₆	Selenium hexafluoride	sef6
1517	SF₅Cl	sulfur chloropentafluoride	sf5cl
1518	CF₃CHF₂	pentafluoroethane	cf3chf2
1519	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1520	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1521	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1522	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1523	C₆H₅F	Fluorobenzene	bzf
1524	C₆H₅Cl	chlorobenzene	bzcl
1525	C₆H₅Br	bromobenzene	bzbr
1526	C₈H₆	Calicene	calicene
1527	C₆H₅CCH	phenylacetylene	phac
1528	C₈H₆	benzocyclobutadiene	bcbd
1529	C₈H₆	Pentalene	pentalene
1530	C₆H₅CHCH₂	Styrene	styrene
1531	C₈H₈	cubane	cubane
1532	C₈H₈	cyclooctatetraene	cot
1533	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1534	CH₃C₆H₄CH₃	meta-xylene	mxylene
1535	CH₃C₆H₄CH₃	paraxylene	pxylene
1536	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1537	C₈H₁₆	cyclooctane	cyclooct
1538	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1539	C₈H₁₈	Octane	c8h18
1540	C₆H₅CN	phenyl cyanide	phcn
1541	C₆H₁₂N₂	Triethylenediamine	ted
1542	C₄O₄^--	squarate dianion	c4o4--
1543	S₄N₄	Tetrasulfur tetranitride	s4n4
1544	S₈	Octasulfur	s8
1545	C₆H₄O₂	parabenzoquinone	pbq
1546	C₄H₄N₂O₂	Uracil	uracil
1547	C₆H₅CHO	benzaldehyde	benzal
1548	C₆H₅OCH₃	Anisole	anisole
1549	C₅H₉NO₂	Proline	proline
1550	C₄F₄	tetrafluorcyclobutadiene	c4f4
1551	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1552	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1553	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1554	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1555	C₂F₆	hexafluoroethane	c2f6
1556	C₂Cl₆	hexachloroethane	c2cl6
1557	IF₇	Iodine heptafluoride	if7
1558	C₆H₄F₂	metadifluorobenzene	mdfb
1559	C₆H₄F₂	orthodifluorobenzene	odfb
1560	C₆H₄F₂	1,4-difluorobenzene	pdfb
1561	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1562	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1563	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1564	C₆H₅NO	nitrosobenzene	bzno
1565	C₉H₈	Indene	indene
1566	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1567	C₉H₁₂	n-propyl benzene	prbz
1568	C₉H₂₀	Nonane	nonane
1569	C(CN)₄	tetracyanomethane	c5n4
1570	C₅H₄N₄	purine	purine
1571	C₈H₇N	Indole	indole
1572	C₃H₃N₃O₃	cyanuric acid	cyanuric
1573	C₆H₅NO₂	Nitrobenzene	c6h5no2
1574	C₆H₅COOH	benzoic acid	benzo
1575	CH₃COC₆H₅	acetophenone	acph
1576	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1577	C₃F₆	hexafluoropropene	c3f6
1578	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1579	C₈H₁₈O	1-Octanol	octanol
1580	C₁₀H₈	Azulene	azu
1581	C₁₀H₈	naphthalene	naph
1582	C₁₀H₁₀	bullvalene	bullv
1583	C₁₀H₁₆	adamantane	adamantane
1584	C₆N₄	Tetracyanoethylene	tcne
1585	C₆N₄^-	tetracyanoethylene anion	tcne-
1586	C₁₀H₂₂	Decane	decane
1587	C₄F₆	perfluorobutadiene	c4f6
1588	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1589	C₃F₈	perfluoropropane	c3f8
1590	Fe(CO)₅	Iron pentacarbonyl	ipc
1591	Fe(C₅H₅)₂	ferrocene	fecp2
1592	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1593	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1594	C₁₂H₈	Acenaphthylene	acenaph
1595	C₁₂H₈	biphenylene	biph
1596	C₁₂H₁₀	biphenyl	biphenyl
1597	C₁₂H₁₀	Heptalene	heptalene
1598	C₆H₁₂O₆	Inositol	inositol
1599	C₆F₆	hexafluorobenzene	c6f6
1600	S₂F₁₀	disulphur decafluoride	s2f10
1601	C₁₃H₁₀	Fluorene	fluorene
1602	C₁₄H₁₀	Anthracene	anth
1603	C₁₄H₁₀	Phenanthrene	phenanthrene
1604	C₁₄H₁₄	Bibenzyl	bibenzyl
1605	C₁₂H₁₀N₂	azobenzene	azobenzene
1606	C₆H₅COC₆H₅	benzophenone	benzophenone
1607	C₁₆H₁₀	Pyrene	pyrene
1608	C₁₈H₁₂	Tetracene	tetracene
1609	C₁₉H₁₆	Triphenylmethane	tpm
1610	C₂₄H₁₂	Coronene	coronene
1611	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