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

List of which calculations are completed at PBEPBEultrafine /aug-cc-pVDZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	He	Helium atom	¹S	K_h
7	He	Helium atom
8	He⁺	Helium atom cation	²S	K_h
9	HeH⁺	Helium hydride cation	¹Σ	C_∞v
10	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
11	Li	Lithium atom	²S	K_h
12	Li^-	Lithium atom anion	¹S	K_h
13	Li⁺	Lithium atom cation	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	Na⁺	Sodium atom cation	¹S	K_h
16	LiH	Lithium Hydride	¹Σ	C_∞v
17	LiH⁺	lithium hydride cation	²Σ	C_∞v
18	NaH	sodium hydride	¹Σ	C_∞v
19	NaH⁺	sodium hydride cation	²Σ	C_∞v
20	Be	Beryllium atom	¹S	K_h
21	Be⁺	Beryllium atom cation	²S	K_h
22	Mg	Magnesium atom	¹S	K_h
23	Mg⁺	Magnesium atom cation	²S	K_h
24	BeH	beryllium monohydride	²Σ	C_∞v
25	MgH	magnesium monohydride	²Σ	C_∞v
26	TiH	Titanium monohydride	⁴Φ	C_∞v
27	ZnH⁺	Zinc, protonated
28	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
29	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
30	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
31	BeH₂⁺	Beryllium dihydride cation
32	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
33	B	Boron atom	²P	K_h
34	B	Boron atom	⁴P	K_h
35	B⁺	Boron atom cation	¹S	K_h
36	Al	Aluminum atom	²P	K_h
37	Al^-	Aluminum atom anion	³P	K_h
38	Al⁺	Aluminum atom cation	¹S	K_h
39	Sc	Scandium atom	²D	K_h
40	Sc⁺	Scandium cation	³D	K_h
41	Ga	Gallium atom	²P
42	Ga^-	Gallium atom anion	³P	O_h
43	Ga⁺	Gallium atom cation	¹S
44	BH	Boron monohydride	¹Σ	C_∞v
45	BH	Boron monohydride	³Π	C_∞v
46	BH^-	boron monohydride anion	⁴Σ	C_∞v
47	ScH	Scandium monohydride	¹Σ	C_∞v
48	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
49	GaH	Gallium monohydride	¹Σ	C_∞v
50	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
51	BH₂^-	boron dihydride anion	³B₁	C_2v
52	BH₂^-	boron dihydride anion	¹A₁	C_2v
53	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
54	BH₃	boron trihydride	¹A₁^'	D_3h
55	BH₃⁺	boron trihydride cation	²B₂	C_2v
56	BH₃⁺	boron trihydride cation		C_2v
57	AlH₃	aluminum trihydride	¹A₁^'	D_3h
58	AlH₃^-	aluminum trihydride anion		C_3v
59	ScH₃	Scandium trihydride	¹A₁^'	D_3h
60	ScH₃	Scandium trihydride	¹A₁	C_3v
61	GaH₃	Gallium trihydride	¹A₁^'	D_3h
62	BH₄	borohydride	²B₂	C_2v
63	BH₄^-	borohydride anion	¹A₁	T_d
64	C	Carbon atom	³P₀	K_h
65	C	Carbon atom	³P₁	K_h
66	C^-	Carbon atom anion	²D	K_h
67	C⁺	Carbon atom cation	²P	K_h
68	Si	Silicon atom	³P	K_h
69	Si	Silicon atom	¹S	K_h
70	Si^-	Silicon atom anion	⁴S	K_h
71	Si⁺	Silicon atom cation	²P	K_h
72	Ge	Germanium atom	³P	K_h
73	Ge^-	Germanium anion	⁴S	K_h
74	Ge⁺	Germanium cation	²P	K_h
75	CH	Methylidyne	²Π_1/2	C_∞v
76	SiH	Silylidyne	²Π	C_∞v
77	SiH^-	silicon monohydride anion	³Σ	C_∞v
78	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
79	GeH	germylidene	²Π	C_∞v
80	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
81	CH₂	Methylene	³B₁	C_2v
82	CH₂	Methylene	³Σ_G	D_∞h
83	CH₂	Methylene	¹A₁	C_2v
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	¹A₁	C_2v
88	SiH₂	silicon dihydride	³B₁	C_2v
89	GeH₂	germylene	¹A₁	C_2v
90	GeH₂^-	germylene anion	²B₁	C_2v
91	CH₃	Methyl radical	²A₁	D_3h
92	CH₃^-	methyl anion	¹A₁	C_3v
93	CH₃⁺	methyl cation	¹A₁^'	D_3h
94	SiH₃	Silyl radical	²A₁	C_3v
95	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
96	GeH₃	Germyl radical	²A₁	C_3v
97	GeH₃⁺	germyl cation	¹A₁^'	D_3h
98	CD₄	methane-d4	¹A₁	T_d
99	CH₂D₂	methane-d2	¹A₁	C_2v
100	CH₃D	methane-d	¹A₁	C_3v
101	CH₄	Methane	¹A₁	T_d
102	CH₄^-	Methane anion	²A₁	T_d
103	CHD₃	methane-d3	¹A₁	C_3v
104	SiH₂D₂	silane-d2
105	SiH₄	Silane	¹A₁	T_d
106	GeH₄	Germane	¹A₁	T_d
107	SiH₅⁺	Silane, protonated
108	N	Nitrogen atom	⁴S	K_h
109	N	Nitrogen atom	²D	K_h
110	N⁺	Nitrogen atom cation	³P	K_h
111	P	Phosphorus atom	⁴S	K_h
112	V	Vanadium atom	⁴F	K_h
113	V⁺	Vanadium atom cation	⁵D	K_h
114	As	Arsenic atomic	⁴S	K_h
115	As^-	Arsenic anion	³P	K_h
116	As⁺	Arsenic cation	³P	K_h
117	PH	phosphorus monohydride	³Σ^-	C_∞v
118	AsH	Arsenic monohydride	³Σ	C_∞v
119	AsH	Arsenic monohydride	¹Σ	C_∞v
120	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
121	NH₂	Amino radical	²B₁	C_2v
122	NH₂⁺	Amino cation	³B₁	C_2v
123	NH₂⁺	Amino cation	¹A₁	C_2v
124	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
125	NH₃	Ammonia	¹A₁	C_3v
126	NH₃^-	Ammonia anion	²A₁	C_3v
127	NH₃⁺	ammonia cation	²A₂^"	D_3h
128	PH₃	Phosphine	¹A₁	C_3v
129	PH₃⁺	Phosphine cation	²A₁	C_3v
130	AsH₃	Arsine	¹A₁	C_3v
131	AsH₃⁺	Arsine cation	²A₁	C_3v
132	AsH₄⁺	Arsonium
133	NH₄	Ammonium radical
134	NH₄⁺	ammonium cation	¹A₁	T_d
135	PH₄	Phosphoranyl radical
136	PH₄⁺	phosphonium cation
137	O	Oxygen atom	³S	K_h
138	O⁺	Oxygen atom cation	⁴S	K_h
139	S	Sulfur atom	³P	K_h
140	S	Sulfur atom
141	S^-	Sulfur atom anion	²P	K_h
142	S⁺	Sulfur atom cation	⁴S	K_h
143	Se	Selenium atom	³P	K_h
144	Se^-	Selenium atom anion	²P	K_h
145	Se⁺	Selenium atom cation	⁴S	K_h
146	OH	Hydroxyl radical	²Π	C_∞v
147	OH^-	hydroxide anion	¹Σ	C_∞v
148	OH⁺	hydoxyl cation	³Σ	C_∞v
149	HS	Mercapto radical	²Π	C_∞v
150	HS^-	mercapto anion	¹Σ	C_∞v
151	HS⁺	sulfur monohydride cation	³Σ	C_∞v
152	CrH	Chromium hydride	⁶Σ	C_∞v
153	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
154	HSe	Selenium monohydride	²Π	C_∞v
155	HSe^-	selenium monohydride anion	¹Σ	C_∞v
156	HSe⁺	selenium monohydride cation	³Σ	C_∞v
157	H₂O	Water	¹A₁	C_2v
158	H₂O^-	water anion	²A₁	C_2v
159	H₂O^-	water anion	²A^'	C_s
160	H₂O⁺	water cation	²B₁	C_2v
161	HDO	Water-d1	¹A₁	C_2v
162	H₂S	Hydrogen sulfide	¹A₁	C_2v
163	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
164	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
165	H₂Se	Hydrogen selenide	¹A₁	C_2v
166	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
167	H₃O⁺	hydronium cation	¹A₁	C_3v
168	H₃S⁺	Sulfonium cation	¹A₁	C_3v
169	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
170	F	Fluorine atom	²P	K_h
171	F^-	Fluorine atom anion	¹S	K_h
172	F⁺	Fluorine atom cation	³S	K_h
173	F⁺	Fluorine atom cation	¹D	K_h
174	Cl	Chlorine atom	²P	K_h
175	Cl^-	Chlorine atom anion	¹S	K_h
176	Cl⁺	Chlorine atom cation	³P	K_h
177	Cl⁺	Chlorine atom cation	¹D	K_h
178	Br	Bromine atom	²P	K_h
179	Br^-	Bromine atom anion	¹S	K_h
180	Br⁺	Bromine atom cation	³P	K_h
181	HF	Hydrogen fluoride	¹Σ	C_∞v
182	HF^-	hydrogen fluoride anion	²Σ	C_∞v
183	HF⁺	hydrogen fluoride cation	²Π	C_∞v
184	HCl	Hydrogen chloride	¹Σ	C_∞v
185	HCl^-	hydrogen chloride anion	²Σ	C_∞v
186	HCl⁺	hydrogen chloride cation	²Π	C_∞v
187	HBr	hydrogen bromide	¹Σ	C_∞v
188	HBr^-	hydrogen bromide anion	²Σ	C_∞v
189	HBr⁺	hydrogen bromide cation	²Π	C_∞v
190	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
191	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
192	Ne	Neon atom	¹S	K_h
193	Ne	Neon atom
194	Ne⁺	Neon atom cation	²P	K_h
195	Ar	Argon atom	¹S	K_h
196	Kr	Krypton atom	¹S	K_h
197	Kr⁺	Krypton cation	²P	K_h
198	HeLi⁺	Helium Lithium cation
199	NeH	neon hydrogen	²Σ	C_∞v
200	ArH⁺	Argon hydride cation	¹Σ	C_∞v
201	KrH⁺	Protonated Krypton	¹Σ	C_∞v
202	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
203	Li₂	Lithium diatomic	¹Σ_g	D_∞v
204	NaLi	lithium sodium	¹Σ	C_∞v
205	Na₂	Sodium diatomic	¹Σ_g	D_∞h
206	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
207	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
208	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
209	Be₂	Beryllium diatomic	³Π_g	D_∞h
210	BeMg	Beryllium Magnesium	¹Σ	C_∞v
211	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
212	LiB	Lithium boride	³Π	C_∞v
213	LiAl	Lithium Aluminum
214	NaAl	Sodium aluminum	¹Σ	C_∞v
215	BeB	Beryllium monoboride	²Π	C_∞v
216	B₂	Boron diatomic	³Σ_g	D_∞h
217	B₂	Boron diatomic	¹Σ_g	D_∞h
218	B₂	Boron diatomic	⁵Σ_u	D_∞h
219	B₂⁺	Boron diatomic cation	²Π	D_∞h
220	BAl	Boron Aluminum	³Σ	C_∞v
221	BGa	Boron Gallium	³Σ	C_∞v
222	AlGa	Aluminum Gallium	³Σ	C_∞v
223	AlGa	Aluminum Gallium	¹Σ	C_∞v
224	Ga₂	Gallium diatomic	³P_iu
225	HBBH	Diborane(2)	³Σ_G	D_∞h
226	LiBH₄	Lithium borohydride	¹A₁	C_3v
227	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
228	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
229	B₂H₆	Diborane	¹A_g	D_2h
230	B₂H₆⁺	Diborane cation
231	Al₂H₆	dialane	¹A_G	D_2h
232	Ga₂H₆	digallane	¹A_G	D_2h
233	LiC	Lithium Carbide	⁴Σ	C_∞v
234	BeC	Beryllium Carbide	³Σ^-	C_∞v
235	BeC	Beryllium Carbide
236	BC	boron monocarbide	⁴Σ^-	C_∞v
237	AlC	Aluminum carbide	⁴Σ	C_∞v
238	BSi	Boron silicide	⁴Σ	C_∞v
239	BSi	Boron silicide	²Σ	C_∞v
240	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
241	C₂	Carbon diatomic	³Σ_g^-
242	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
243	SiC	silicon monocarbide	³Σ	C_∞v
244	SiC	silicon monocarbide	¹Σ	C_∞v
245	GeC	Germanium monocarbide	¹Σ	C_∞v
246	SiGe	Silicon Germanium
247	C₂H	Ethynyl radical	²Σ	C_∞v
248	C₂H^-	Ethynyl anion	¹Σ	C_∞v
249	C₂H₂	Acetylene	¹Σ_g	D_∞h
250	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
251	C₂H₂⁺	acetylene cation
252	CCH₂	vinylidene	³B₂	C_2v
253	H₂CC^-	vinylidene anion
254	HCCH^-	acetylene anion
255	HCCH^-	acetylene anion
256	Si₂H₂	disilyne
257	Si₂H₂	disilyne
258	Si₂H₂	disilyne
259	Si₂H₂	disilyne
260	CH₃Li	methyl lithium	¹A₁	C_3v
261	CH₂BH	methyleneborane	¹A₁	C_2v
262	C₂H₃	vinyl	²A^'	C_s
263	C₂H₃^-	vinyl anion	¹A^'	C_s
264	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
265	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
266	C₂H₄	Ethylene	¹A_g	D_2h
267	C₂H₄^-	Ethylene anion	²A_g	C_2h
268	C₂H₄⁺	Ethylene cation	²B₃	D₂
269	Si₂H₄	Disilene
270	Si₂H₄	Disilene
271	Si₂H₄	Disilene
272	CH₃BH₂	methylborane	¹A^'	C_s
273	C₂H₅	Ethyl radical	²A^'	C_s
274	C₂H₅^-	Ethyl anion	¹A^'	C_s
275	C₂H₆	Ethane	¹A_1g	D_3d
276	C₂H₆	Ethane	¹A₁^'	D_3h
277	Si₂H₆	disilane	¹E_u	D_3d
278	LiN	Lithium Nitride	³Σ	C_∞v
279	LiP	Lithium monophosphide
280	LiP	Lithium monophosphide
281	BeN	Beryllium mononitride	⁴Σ	C_∞v
282	BeN	Beryllium mononitride	²Π	C_∞v
283	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
284	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
285	MgN	Magnesium Nitride
286	MgN	Magnesium Nitride
287	BP	Boron monophosphide	³Π	C_∞v
288	BP	Boron monophosphide	¹Σ	C_∞v
289	AlP	Aluminum monophosphide	³Σ	C_∞v
290	AlP	Aluminum monophosphide	³Π	C_∞v
291	AlP	Aluminum monophosphide	¹Σ	C_∞v
292	GaN	Gallium mononitride	³Π	C_∞v
293	GaN	Gallium mononitride	¹Σ	C_∞v
294	GaP	Gallium monophosphide	³Σ	C_∞v
295	GaP	Gallium monophosphide	¹Σ	C_∞v
296	GaAs	Gallium arsenide	³Π
297	GaAs	Gallium arsenide	¹Σ
298	BN	boron nitride	³Π	C_∞v
299	BN	boron nitride	¹Σ	C_∞v
300	CN	Cyano radical	²Σ	C_∞v
301	CN^-	cyanide anion	¹Σ	C_∞v
302	SiP	Silicon monophosphide	²Π	C_∞v
303	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
304	N₂	Nitrogen diatomic
305	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
306	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
307	PN	Phosphorus mononitride	¹Σ	C_∞v
308	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
309	AsN	Arsenic mononitride	¹Σ	C_∞v
310	AsP	Arsenic monophosphide	¹Σ	C_∞v
311	HCN	Hydrogen cyanide	¹Σ	C_∞v
312	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
313	HNC⁺	hydrogen isocyanide cation
314	HCP⁺	Phosphaethyne cation
315	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
316	LiNH₂	lithium amide
317	HBNH	Boranimine	¹Σ	C_∞v
318	CNH₂	Aminomethylidyne radical	²B₂	C_2v
319	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
320	HCNH	methyleneazane	²A^'	CS cis
321	HCNH	methyleneazane	²A^'	CS trans
322	H₂NN	Isodiazene
323	N₂H₂	(E)-diazene	¹A_g	C_2h
324	N₂H₂	(Z)-Diazene	¹A₁	C_2v
325	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
326	CH₂NH	Methanimine	¹A^'	C_s
327	CH₂NH⁺	Methanimine cation
328	CHNH₂	aminomethylene
329	CHNH₂⁺	Aminocarbene cation
330	CH₂PH	Phosphaethene	¹A^'	C_s
331	BH₂NH₂	Boranamine
332	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
333	N₂H₄	Hydrazine	¹A	C₂
334	N₂H₄⁺	hydrazine cation	²A_G	C_2h
335	CH₃NH₂	methyl amine	¹A^'	C_s
336	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
337	SiH₃NH₂	Silane, amino
338	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
339	BH₃PH₃	borane phosphine
340	BH₃NH₃	borane ammonia	¹A₁	C_3v
341	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
342	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
343	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
344	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
345	N₂H₇⁺	ammonia ammonium dimer
346	LiO	lithium oxide	²Σ	C_∞v
347	LiS	Lithium monosulfide	²Π	C_∞v
348	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
349	NaO	sodium monoxide	²Σ	C_∞v
350	NaS	Sodium sulfide	²Π	C_∞v
351	LiSe	Lithium monoselenide
352	BeO	beryllium oxide	¹Σ	C_∞v
353	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
354	BO	boron monoxide	²Σ	C_∞v
355	ScO	Scandium monoxide	²Σ	C_∞v
356	GaO	Gallium monoxide	²Σ	C_∞v
357	GaS	Gallium monosulfide
358	CO	Carbon monoxide	¹Σ	C_∞v
359	CO^-	carbon monoxide anion	²Π	C_∞v
360	CO⁺	carbon monoxide cation	²Σ	C_∞v
361	SiO	Silicon monoxide	¹Σ	C_∞v
362	SiS	silicon monosulfide	¹Σ	C_∞v
363	TiO	Titanium monoxide	³Δ	C_∞v
364	CSe	Carbon monoselenide	¹Σ	C_∞v
365	GeO	Germanium monoxide	¹Σ	C_∞v
366	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
367	GeS	Germanium monosulfide	¹Σ	C_∞v
368	SiSe	Silicon Monoselenide
369	SiSe⁺	Silicon Monoselenide cation
370	GeSe	Germanium monoselenide
371	NO	Nitric oxide	²Π	C_∞v
372	NO^-	nitric oxide anion	³Σ	C_∞v
373	NO⁺	nitric oxide cation	¹Σ	C_∞v
374	NS	Mononitrogen monosulfide	²Π	C_∞v
375	NS^-	nitrogen sulfide anion	³Σ	C_∞v
376	PO	Phosphorus monoxide	²Π	C_∞v
377	PS	phosphorus sulfide	²Σ	C_∞v
378	VO	Vanadium monoxide	⁴Σ^-
379	NSe	Nitrogen monoselenide	²Π	C_∞v
380	AsS	Arsenic monosulfide	²Π	C_∞v
381	PSe	Phosphorus monoselenide	²Π	C_∞v
382	AsSe	Arsenic monoselenide	²Π	C_∞v
383	O₂	Oxygen diatomic	³Σ_g	D_∞h
384	O₂	Oxygen diatomic	¹Δ_g	D_∞h
385	O₂^-	oxygen diatomic anion	²Π	D_∞h
386	O₂^--	dioxygen dianion
387	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
388	SO	Sulfur monoxide	³Σ	C_∞v
389	SO	Sulfur monoxide	¹Σ	C_∞v
390	SO⁺	sulfur monoxide cation	²Π	C_∞v
391	S₂	Sulfur diatomic	³Σ_g	D_∞h
392	SeO	Selenium monoxide	³Σ	C_∞v
393	Se₂	Selenium diatomic	³Σ_g	D_∞h
394	LiOH	lithium hydroxide	¹Σ	C_∞v
395	BeOH	beryllium monohydroxide	²A^'	C_s
396	BeOH	beryllium monohydroxide	²Σ	C_∞v
397	HBO	Boron hydride oxide	¹Σ	C_∞v
398	HBS	hydrogen boron sulfide	¹Σ	C_∞v
399	COH	Hydroxymethylidyne
400	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
401	HCO	Formyl radical	²A^'	C_s
402	HCO^-	formyl anion	¹A^'	C_s
403	HCO⁺	Formyl cation	¹Σ	C_∞v
404	HNO	Nitrosyl hydride	¹A^'	C_s
405	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
406	NOH	Hydroxyimidogen	³A^"	C_s
407	NOH⁺	O-protonated nitric oxide	²A^'	C_s
408	HO₂	Hydroperoxy radical	²A^"	C_s
409	HO₂⁺	Hydroperoxy cation	³A^"	C_s
410	HSO⁺	Sulfur Monoxide, S-protonated
411	SOH	Sulfur Hydroxide
412	SOH⁺	Sulfur Monoxide, protonated
413	HS₂	Thiosulfeno radical	²A^"	C_s
414	H₂CO	Formaldehyde	¹A₁	C_2v
415	H₂CO^-	formaldehyde anion	²A^'	C_s
416	H₂CO^-	formaldehyde anion
417	H₂CO⁺	formaldehyde cation	²B₂	C_2v
418	HOCH	hydroxycarbene	¹A^'	CS trans
419	HOCH	hydroxycarbene	¹A^'	CS cis
420	H₂CS	Thioformaldehyde	¹A₁	C_2v
421	H₂CS^-	thioformaldehyde anion
422	H₂CS^-	thioformaldehyde anion
423	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
424	H₂CSe	Selenoformaldehyde
425	H₂NO	nitroxide	²B₁	C_2v
426	H₂NO	nitroxide	²A^'	C_s
427	H₂O₂	Hydrogen peroxide	¹A	C₂
428	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
429	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
430	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
431	H₂OO	water oxide
432	HOSH	hydrogen thioperoxide
433	H₂S₂	Disulfane	¹A	C₂
434	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
435	H₂Se₂	hydrogen diselenide
436	CH₂OH	Hydroxymethyl radical	²A	C₁
437	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
438	CH₃O^-	methoxy anion	¹A₁	C_3v
439	CH₃O⁺	Methoxy cation	³A₁	C_3v
440	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
441	NH₂OH	hydroxylamine	¹A^'	C_s
442	NH₂OH⁺	Hydroxylamine cation
443	NH₃O	Ammonia Oxide	¹A₁	C_3v
444	H₂POH	Phosphinous acid	¹A₁^'	CS trans
445	H₂POH	Phosphinous acid	¹A₁^'	CS cis
446	H₃PO	Phosphine oxide	¹A₁	C_3v
447	NH₂SH	Thiohydroxylamine
448	NH₂SH	Thiohydroxylamine
449	NH₃S	sulfidoazane
450	CH₃OH	Methyl alcohol	¹A^'	C_s
451	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
452	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
453	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
454	CH₃OH⁺	Methyl alcohol cation	²A	C₁
455	CH₃SH	Methanethiol	¹A^'	C_s
456	CH₃SH⁺	Methanethiol cation	²A^"	C_s
457	SiH₃OH	silanol
458	NH₂OH₂⁺	protonated hydroxylamine
459	NH₃OH⁺	N-protonated hydroxylamine
460	H₂OH₂O	water dimer	¹A^'	C_s
461	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
462	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
463	LiF	lithium fluoride	¹Σ	C_∞v
464	LiCl	lithium chloride	¹Σ	C_∞v
465	NaF	sodium fluoride	¹Σ	C_∞v
466	NaF⁺	sodium fluoride cation	²Σ	C_∞v
467	NaCl	Sodium Chloride	¹Σ	C_∞v
468	LiBr	Lithium Bromide	¹Σ	C_∞v
469	LiF⁺	lithium fluoride cation	²Π	C_∞v
470	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
471	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
472	TiCl	Titanium Monochloride	⁴Σ	C_∞v
473	ZnF	Zinc monofluoride	²Σ	C_∞v
474	BF	Boron monofluoride	¹Σ	C_∞v
475	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
476	AlCl	Aluminum monochloride	¹Σ	C_∞v
477	ScF	Scandium monofluoride	¹Σ	C_∞v
478	BBr	Boron monobromide	¹Σ	C_∞v
479	GaF	Gallium monofluoride	¹Σ	C_∞v
480	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
481	AlBr	Aluminum monobromide
482	GaCl	Gallium monochloride	¹Σ_G	C_∞v
483	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
484	GaBr	Gallium monobromide
485	CF	Fluoromethylidyne	²Π	C_∞v
486	SiF	silicon monofluoride	²Π	C_∞v
487	SiF^-	silicon monofluoride anion	³Σ	C_∞v
488	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
489	SiCl	Clorosilylidyne	²Π	C_∞v
490	CBr	Carbon monobromide	²Π	C_∞v
491	GeF	Germanium monofluoride	²Π	C_∞v
492	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
493	GeCl	Germanium monochloride	²Π	C_∞v
494	GeCl⁺	Germanium monochloride cation
495	SiBr	Silicon monobromide	²Π	C_∞v
496	SiBr⁺	Silicon monobromide cation
497	NCl	nitrogen monochloride	³Σ	C_∞v
498	AsF	Arsenic monofluoride	³Σ	C_∞v
499	AsF	Arsenic monofluoride	¹Δ	C_∞v
500	NBr	nitrogen monobromide	³Σ^-	C_∞v
501	AsCl	Arsenic monochloride	³Σ	C_∞v
502	PBr	Phosphorus monobromide
503	FO	Oxygen monofluoride	²Π	C_∞v
504	ClO	Monochlorine monoxide	²Π	C_∞v
505	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
506	SF	Monosulfur monofluoride	²Π	C_∞v
507	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
508	SCl	sulfur monochloride	²Π	C_∞v
509	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
510	BrO	Bromine monoxide	²Π	C_∞v
511	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
512	BrO⁺	Bromine monoxide cation
513	SeF	Selenium monofluoride	²Π	C_∞v
514	SBr	Sulfur monobromide radical
515	SBr⁺	Sulfur monobromide cation
516	SeCl	Selenium monochloride	²Π	C_∞v
517	SeBr	Selenium monobromide
518	BrCl	Bromine monochloride	¹Σ	C_∞v
519	F₂	Fluorine diatomic	¹Σ_g	D_∞h
520	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
521	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
522	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
523	ClF⁺	clorine monofluoride cation	²Π	C_∞v
524	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
525	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
526	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
527	BrF	Bromine monofluoride	¹Σ	C_∞v
528	Br₂	Bromine diatomic	¹Σ_g	D_∞h
529	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
530	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
531	HCF	Fluoromethylene	¹A^'	C_s
532	HCF	Fluoromethylene	³A^"	C_s
533	HCCl	Chloromethylene	¹A^'	C_s
534	HCCl	Chloromethylene	³A^"	C_s
535	HSiF	fluorosilylene
536	HSiCl	Chlorosilylene
537	HSiBr	monobromosilylene
538	HOF	Hypofluorous acid	¹A^'	C_s
539	HOCl	hypochlorous acid	¹A^'	C_s
540	HOCl⁺	hypochlorous acid cation
541	HOBr	Hypobromous acid	¹A^'	C_s
542	HOBr⁺	Hypobromous acid cation	²A^"	C_s
543	F₂H⁺	Fluorine, protonated	¹A^'	C_s
544	ClFH⁺	Chlorine fluoride, F-protonated
545	FClH⁺	Chlorine fluoride, Cl-protonated
546	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
547	CH₂Br	bromomethyl radical
548	CH₂F	fluoromethyl radical	²A	C_s
549	CH₂F⁺	fluoromethyl cation
550	CH₂Cl⁺	chloromethyl cation
551	CH₂Cl	chloromethyl radical	²A^'	C_s
552	CH₂Cl	chloromethyl radical	²B₁	C_2v
553	NH₂Cl	chloramine	¹A^'	C_s
554	CH₃F⁺	methyl fluoride cation
555	CD₃F	methylfluoride-d3	¹A₁	C_3v
556	CH₃F	Methyl fluoride	¹A₁	C_3v
557	CD₃Cl	methyl chloride d3	¹A₁	C_3v
558	CH₃Cl	Methyl chloride	¹A₁	C_3v
559	CH₃Cl⁺	Methyl chloride cation
560	SiH₃F	monofluorosilane	¹A₁	C_3v
561	SiH₃Cl	chlorosilane	¹A₁	C₁
562	CH₃Br	methyl bromide	¹A₁	C_3v
563	GeH₃F	monofluorogermane
564	GeH₃Cl	monochlorogermane
565	SiH₃Br	bromosilane	¹A₁	C_3v
566	NH₃Cl⁺	protonated monochloroammonia
567	CH₃ClH⁺	methyl chloride, protonated
568	NH₄Cl	Ammonium chloride
569	LiNe⁺	Lithium Neon cation
570	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
571	Ar₂	Argon diatomic	¹S_g	D_∞h
572	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
573	Li₃	Lithium trimer	²B₂	C_2v
574	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
575	C₃	carbon trimer	¹Σ_g	D_∞h
576	C₃	carbon trimer	¹A₁	C_2v
577	SiC₂	Silicon dicarbide
578	C₃H₃	cyclopropenyl radical	²A^'	C_s
579	C₃H₄	cyclopropene	¹A₁	C_2v
580	CH₂CCH₂	allene	¹A₁	D_2d
581	CH₃CCH	propyne	¹A^'	C_3v
582	C₃H₅	Allyl radical	²A₂	C_2v
583	C₃H₅	Allyl radical	²A^"	C_s
584	CH₃CHCH	1-propenyl radical	²A^'	C_s
585	C₃H₆	Cyclopropane	¹A₁^'	D_3h
586	CH₂CHCH₃	Propene	¹A^'	C_s
587	C₃H₇	n-Propyl radical	²A^"	C₁
588	C₃H₇⁺	cyclopropane, protonated
589	CH₃CHCH₃	Isopropyl radical	²A	C₂
590	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
591	C₃H₈	Propane	¹A₁	C_2v
592	Si₃H₈	trisilane
593	LiCN	lithium cyanide	¹Σ	C*V LiCN
594	LiCN	lithium cyanide	¹A^'	C_s
595	LiCN	lithium cyanide	¹Σ	C*V LiNC
596	NaCN	Sodium Cyanide	¹Σ	C_∞v
597	NaCN	Sodium Cyanide	¹A	C_s
598	NaCN	Sodium Cyanide	¹Σ	C_∞v
599	ZnCN	Zinc monocyanide	²Σ	C_∞v
600	ZnNC	Zinc isocyanide	²Σ	C_∞v
601	AlCN	Aluminum monocyanide
602	AlNC	Aluminum isocyanide
603	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
604	CNN	Diazocarbene
605	NCN	Cyanoimidogen	³Σ_g	D_∞h
606	NCN	Cyanoimidogen	¹Σ_g	D_∞h
607	N₃	azide radical	²Π_g	D_∞h
608	N₃⁺	azide cation	³Σ_g	D_∞h
609	N₃⁺	azide cation	³Σ	C_∞v
610	HCCN	cyanomethylene	³A^"	C_s
611	HCCN	cyanomethylene	³Σ	C_∞v
612	HCCN	cyanomethylene
613	HN₃	hydrogen azide	¹A^'	C_s
614	HN₃⁺	Hydrazoic acid cation
615	HNCNH	diiminomethane	¹A	C₂
616	NH₂CN	cyanamide	¹A₁	C_2v
617	HNNNH⁺	1,2-Triazadienium
618	NH₂NN⁺	hydrazoic acid, protonated
619	CH₃CN	Acetonitrile	¹A₁	C_3v
620	CH₃CN^-	acetonitrile anion	²E	C_3v
621	CH₃CN^-	acetonitrile anion	²A^'	C_s
622	CHNCH₂	2H-Azirine
623	CHNHCH	1H-Azirine
624	H₂CCNH	Ethenimine
625	H₂CNCH	methyleneaminomethylene
626	HCCNH₂	Ethynamine
627	HCNCH₂⁺	2H-Azirine cation
628	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
629	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
630	NH₂CNH⁺	cyanamide, cn protonated
631	NH₃CN⁺	cyanamide, amine protonated
632	CH₂CHNH	vinylazine	²A^"	CS cis
633	CH₂CHNH	vinylazine	²A^"	CS trans
634	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
635	CH₃CHNH	ethanimine	¹A^'	CS NH down
636	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
637	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
638	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
639	CH₃CH₂NH₂	Ethylamine
640	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
641	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
642	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
643	Li₂O	dilithium oxide	¹Σ_g	D_∞h
644	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
645	Li₂S	dilithium sulfide	¹A₁	C_2v
646	Na₂O	disodium monoxide	¹Σ_g	Linear
647	Na₂O	disodium monoxide	¹A₁	C_2v
648	Na₂S	Sodium sulfide
649	Na₂S	Sodium sulfide
650	LiO₂	Lithium dioxide
651	NaO₂	Sodium superoxide
652	CCO	Dicarbon monoxide	³Σ	C_∞v
653	CCO	Dicarbon monoxide	¹Π	C_∞v
654	NCO	isocyanato radical	²Π	C_∞v
655	N₂O	Nitrous oxide	¹Σ	C_∞v
656	N₂O^-	Nitrous oxide anion	²A^'	C_s
657	NNS	Nitrogen sulfide	¹Σ	C_∞v
658	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
659	CO₂	Carbon dioxide	¹Σ_g	D_∞h
660	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
661	OCS	Carbonyl sulfide	¹Σ	C_∞v
662	CS₂	Carbon disulfide	¹Σ_g	D_∞h
663	CS₂^-	Carbon disulfide anion	²A₁	C_2v
664	TiO₂	Titanium dioxide	¹A₁	C_2v
665	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
666	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
667	OCSe	Carbonyl selenide	¹Σ	C_∞v
668	SCSe	Carbon sulfide selenide
669	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
670	CSe₂	Carbon diselenide	¹A₁	D_∞h
671	NO₂	Nitrogen dioxide	²A₁	C_2v
672	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
673	NSO	sulfinyl amidogen
674	SNO	Nitrogen oxide sulfide
675	AsO₂	Aresenic dioxide	²A₁	C_2v
676	O₃	Ozone	¹A₁	C_s
677	SO₂	Sulfur dioxide	¹A₁	C_2v
678	SSO	Disulfur monoxide	¹A^'	C_s
679	S₃	Sulfur trimer	¹A₁	C_2v
680	S₃	Sulfur trimer
681	S₃⁺	Sulfur trimer cation	²B₂	C_2v
682	SeO₂	Selenium dioxide	¹A₁	C_2v
683	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
684	HCCO	ketenyl radical	²Π	C_∞v
685	HCCO	ketenyl radical	²A^"	C_s
686	HCNO	fulminic acid	¹Σ	C_∞v
687	HCNO	fulminic acid	¹A^'	C_s
688	HNCS	Isothiocyanic acid
689	HSCN	thiocyanic acid	¹A^'	C_s
690	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
691	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
692	HCOO	formate neutral radical	²A^'	C_s
693	HOCO	Hydrocarboxyl radical	¹A^'	cis
694	HOCO	Hydrocarboxyl radical	¹A^'	trans
695	O₃H⁺	protonated ozone	¹A^'	C_s
696	O₃H⁺	protonated ozone
697	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
698	C₂H₂O	Oxirene	¹A₁	C_2v
699	CH₂CO	Ketene	¹A₁	C_2v
700	CH₂CS	Thioketene
701	Be(OH)₂	Beryllium hydroxide
702	NH₂NO	Nitrosamide	¹A	C₁
703	H₂COO	Dioxymethyl radical	²A^'	C_s
704	H₂COO⁺	dioxymethyl cation	²A^'	C_s
705	HCOOH	Formic acid	¹A^'	C_s
706	HCOOH	Formic acid
707	H₂O₃	Hydrogen trioxide	¹A	C₂
708	HSSSH	trisulfane	¹A^'	C_s
709	NaOCH₃	Sodium methoxide	¹A₁	C_3v
710	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
711	BH₃CO	Borane carbonyl	¹A₁	C_3v
712	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
713	CH₂COH⁺	ketene, protonated
714	CH₂NOH	formaldoxime	¹A^'	C_s
715	CH₃NO	nitrosomethane	¹A^'	C_s
716	CHONH₂	formamide	¹A^'	Planar
717	CHONH₂	formamide	¹A	Non-Planar
718	CNOH₃	1,2-oxaziridine	¹A	C₁
719	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
720	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
721	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
722	CHSNH₂	thioformamide
723	NHCHSH	Methanimidothioic acid
724	C₂H₄O	Ethylene oxide	¹A₁	C_2v
725	C₂H₄O⁺	ethylene oxide cation
726	CH₃CHO	Acetaldehyde	¹A^'	C_s
727	CH₃CHO⁺	acetaldehyde cation
728	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
729	C₂H₄S	Thiirane	¹A₁	C_2v
730	CH₂CHSH	Ethenethiol
731	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
732	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
733	NH₂CHOH⁺	Formamide, O-protonated
734	CH₂(OH)₂	methanediol	¹A	C₂
735	CH₃SSH	Hydrogen methyl disulfide
736	HSCH₂SH	Methanedithiol
737	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
738	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
739	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
740	NH₂CH₂OH	aminomethanol
741	CH₃CH₂OH	Ethanol	¹A^'	C_s
742	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
743	CH₃CH₂SH	ethanethiol	¹A^'	C_s
744	CH₃CH₂SH	ethanethiol	¹A	C₁
745	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
746	CH₃SCH₃⁺	dimethyl sulfide cation
747	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
748	CuF₂	Copper difluoride	²Π_g	D_∞h
749	CNF	iso cyanogen fluoride	¹Σ	C_∞v
750	BrCN	Cyanogen bromide	¹Σ	C_∞v
751	FBO	Boron monofluoride monoxide
752	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
753	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
754	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
755	BeBr₂	Beryllium bromide
756	FCO	Carbonyl fluoride	²A^'	C_s
757	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
758	ClCO	carbonyl monochloride	²A^'	C_s
759	BF₂	Boron difluoride radical	²A₁	C_2v
760	FNO	Nitrosyl fluoride	¹A^'	C_s
761	ClNO	Nitrosyl chloride	¹A^'	C_s
762	FNS	Thionitrosyl fluoride	¹A^'	C_s
763	FSN	Thiazyl fluoride	¹A^'	C_s
764	OPCl	Phosphorus oxychloride
765	CF₂	Difluoromethylene	¹A₁	D_∞h
766	CFCl	chlorofluoromethylene	¹A^'	C_s
767	SiF₂	Silicon difluoride	¹A₁	C_2v
768	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
769	GeF₂	Germanium difluoride	¹A₁	C_2v
770	GeCl₂	Germanium dichloride	¹A₁	C_2v
771	CBr₂	dibromomethylene	¹A₁	C_2v
772	CBr₂	dibromomethylene	³B₁	C_2v
773	FOO⁺	Fluorine dioxide cation
774	OClO	Chlorine dioxide	²B₁	D_∞h
775	OClO^-	Chlorine dioxide anion	¹A^'	C_s
776	ClSO	Sulfur chloride oxide	²A^"	C_s
777	BrOO	Bromine dioxide
778	OBrO	Bromine dioxide radical	²B₁	C_2v
779	PF₂	Phosphorus difluoride
780	PF₂⁺	Phosphorus difluoride cation
781	FClO	chlorosyl fluoride	¹A^'	C_s
782	ClOF	Chlorine hypofluorite	¹A^'	C_s
783	SF₂	sulfur difluoride	¹A₁	C_2v
784	SF₂^-	sulfur difluoride anion	²A^'	C_s
785	SF₂^-	sulfur difluoride anion	²Π	D_∞h
786	SCl₂	Sulfur dichloride	¹A₁	C_2v
787	SeF₂	Selenium difluoride
788	SeCl₂	Selenium Dichloride
789	SBr₂	Sulfur dibromide
790	SeBr₂	Selenium dibromide
791	F₃^-	trifluoride anion	¹Σ_g	D_∞h
792	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
793	Br₃^-	tribromide anion
794	SFCl	Sulfur chloride fluoride
795	HCCF	Fluoroacetylene	¹Σ	C_∞v
796	HCCCl	Chloroacetylene	¹Σ	C_∞v
797	HCCBr	bromoacetylene	¹Σ	C_∞v
798	HFCO⁺	formyl fluoride cation	²A^'	C_s
799	CHCl₂	dichloromethyl radical	²B₁	C_2v
800	CHCl₂	dichloromethyl radical	²A^'	C_s
801	CHF₂	difluoromethyl radical	²A	C_s
802	CHF₂⁺	difluoromethyl cation
803	CHFCl	Chlorofluoromethyl radical
804	CHFCl⁺	Chlorofluoromethyl cation
805	CHCl₂⁺	dichloromethyl cation
806	CHBr₂	dibromomethyl radical
807	NHF₂	difluoramine
808	NHCl₂	dichloroamine
809	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
810	SiH₂F₂	difluorosilane
811	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
812	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
813	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
814	CH₂Br₂	dibromomethane	¹A₁	C_2v
815	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
816	CH₃MgBr	Methyl Magnesium Bromide
817	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
818	CH₂FOH	fluoromethanol
819	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
820	CHClCH₃	1-chloroethyl radical	²A	C₁
821	C₂H₅Br	Ethyl bromide	¹A^'	C_s
822	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
823	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
824	C₄	Carbon tetramer	³Σ_g	D_∞h
825	C₄	Carbon tetramer
826	C₄H₂	Diacetylene	¹Σ_g	D_∞h
827	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
828	C₄H₄	cyclobutadiene	¹A_g	D_2h
829	C₄H₄	Tetrahedrane
830	C₄H₆	1-Methylcyclopropene	¹A	C₁
831	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
832	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
833	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
834	C₄H₈	methylcyclopropane	¹A^'	C_s
835	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
836	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
837	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
838	Li₃N	trilithium nitride	¹A^'	D_3h
839	Li₃N	trilithium nitride	¹A₁	C_3v
840	C₂N₂	Cyanogen	¹Σ_g	D_∞h
841	As₄	Arsenic tetramer	¹A₁	T_d
842	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
843	H₂CNCN	cyanamide, methylene
844	HNCCNH	Ethenediimine
845	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
846	CH₃N₃	methyl azide	¹A^'	C_s
847	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
848	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
849	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
850	C₂H₅CN	ethyl cyanide	¹A^'	C_s
851	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
852	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
853	H₂NCHCHNH₂	diaminoethylene
854	CH₇N₃	triaminomethane
855	C₄H₈	cyclobutane	¹A₁	D_2d
856	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
857	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
858	N(SiH₃)₃	trisilylamine
859	(CH₃)₃NH⁺	protonated trimethyl amine
860	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
861	C₃O	Tricarbon monoxide	¹Σ	C_∞v
862	ONNO	NO dimer	¹A_g	trans C2H
863	ONNO	NO dimer	¹A₁	cis C2V
864	S₂N₂	Disulfur dinitride	¹A_G	D_2h
865	CS₃^--	Carbonotrithioate
866	NO₃^-	nitrate anion	¹A₁^'	D_3h
867	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
868	SO₃	Sulfur trioxide	¹A₁^'	D_3h
869	SO₃^--	Sulfate dianion
870	SeO₃	selenium trioxide	¹A₁^'	D_3h
871	S₄	Sulfur tetramer
872	S₄	Sulfur tetramer
873	S₄	Sulfur tetramer
874	HNO₃	Nitric acid	¹A^'	C_s
875	NH₂NO₂	nitramide	¹A^'	C_s
876	C₃H₂O	Propadienal
877	C₃H₂O	Propadienal
878	C₂H₂O₂	Ethanedial	¹A_g	C_2h
879	H₂SO₃	Sulfurous acid	¹A^'	C_s
880	C₂H₃NO	Nitrosoethylene
881	CH₃NCO	methylisocyante
882	HOCH₂CN	cyanomethanol
883	CH₃NO₂	Methane, nitro-	¹A^'	C_s
884	NH₂COOH	Carbamic acid	¹A^'	C_s
885	NH₂COOH	Carbamic acid	¹A	C₁
886	H₃AlO₃	Aluminum hydroxide
887	CH₂CHCHO	Acrolein	¹A^'	C_s
888	CH₂CHCHO	Acrolein
889	NH₂CONH₂	Urea	¹A	C₂
890	NH₂CONH₂	Urea	¹A^'	C_s
891	NH₂CONH₂	Urea	¹A₁	C_2v
892	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
893	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
894	CH₃COCH₂	Acetonyl radical	²A^"	C_s
895	CH₂C(OH)NH₂	1-amino vinyl alchohol
896	CH₃C(OH)=NH	Ethaninidic acid
897	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
898	HCONHCH₃	N-methylformamide	¹A^'	CS cis
899	HCONHCH₃	N-methylformamide	¹A^'	CS trans
900	CH₃CSNH₂	Ethanethioamide
901	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
902	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
903	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
904	C₃H₅OH	Cyclopropanol	¹A	C₁
905	C₃H₆O	2-Propen-1-ol	¹A	C₁
906	C₃H₆O	Acetone enol	¹A^'	C_s
907	C₃H₆O	Oxetane	¹A₁	C_2v
908	C₃H₆O	Oxetane	¹A^'	C_s
909	CH₃CH₂CHO	Propanal	¹A^'	C_s
910	CH₃COCH₃	Acetone	¹A₁	C_2v
911	CH₃COCH₃^-	acetone anion	²A^'	C_s
912	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
913	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
914	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
915	C₃H₇OH	1-Propanol
916	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
917	Li₂F₂	Lithium fluoride dimer
918	FNO₂	Nitryl fluoride	¹A₁	C_2v
919	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
920	ClONO	chlorine nitrite	¹A^'	CS cis
921	CF₂O	Carbonic difluoride	¹A₁	C_2v
922	CF₂O⁺	Carbonic difluoride cation
923	Cl₂CS	Thiophosgene	¹A₁	C_2v
924	BF₃	Borane, trifluoro-	¹A^'	D_3h
925	BF₃⁺	boron trifluoride cation	²B₂	C_2v
926	BF₃⁺	boron trifluoride cation
927	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
928	BClF₂	Chlorodifluoroborane
929	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
930	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
931	BCl₃⁺	Boron Trichloride cation
932	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
933	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
934	BBr₃	Boron tribromide	¹A₁^'	D_3h
935	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
936	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
937	CF₂Cl	difluorochloromethyl radical
938	SiF₃	Silicon trifluoride radical	²A₁	C_3v
939	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
940	CFCl₂	dichlorofluoromethyl radical
941	CBr₃	tribromomethyl radical
942	ClO₂F	Chloryl fluoride	¹A^'	C_s
943	F₂SO	Thionyl Fluoride	¹A^'	C_s
944	ClOOCl	Dichlorine dioxide	¹A	C₂
945	SSCl₂	Thiothionyl chloride
946	NF₃	Nitrogen trifluoride	¹A₁	C_3v
947	NCl₃	nitrogen trichloride	¹A₁	C_3v
948	AsCl₃	Arsenous trichloride	¹A₁	C_3v
949	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
950	PBr₃	Phosphorus tribromide	¹A₁	C_3v
951	SF₃	Sulfur trifluoride	²A^'	C_s
952	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
953	ClF₃	Chlorine trifluoride	¹A₁	C_2v
954	HClO₃	Chloric Acid	¹A^'	C_s
955	HClO₃	Chloric Acid	¹A	C₁
956	CHF₃	Methane, trifluoro-	¹A₁	C_3v
957	SiHF₃	trifluorosilane
958	CDCl₃	trichloromethane-d	¹A₁	C_3v
959	CHCl₃	Chloroform	¹A₁	C_3v
960	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
961	CHFClBr	fluorochlorobromomethane	¹A	C₁
962	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
963	CHBr₂F	dibromofluoromethane
964	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
965	AsF₃H⁺	Arsenic trifluoride, protonated
966	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
967	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
968	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
969	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
970	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
971	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
972	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
973	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
974	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
975	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
976	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
977	CH₂BrCH₂Cl	1-bromo-2-chloroethane
978	CH₂BrCH₂Cl	1-bromo-2-chloroethane
979	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
980	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
981	CH₂CHCH₂F	Allyl Fluoride
982	CH₂CHCH₂F	Allyl Fluoride
983	CH₃CHCHF	trans-1-Fluoro-1-propene
984	CH₂FCH₂OH	2-fluoroethanol
985	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
986	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
987	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
988	CH₂FCH₂CH₃	1-Fluoropropane
989	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
990	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
991	B₅H₉	pentaborane9
992	C₅H₄	pentatetraene
993	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
994	C₅H₆	Propellane	¹A₁	D_3h
995	C₅H₈	Bicyclo[1.1.1]pentane
996	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
997	CH₂N₄	1H-Tetrazole	¹A^'	C_s
998	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
999	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1000	C₄H₄N	pyrrolide radical	²A₂	C_2v
1001	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1002	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1003	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1004	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1005	C₄H₅N	Pyrrole	¹A₁	C_2v
1006	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1007	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1008	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1009	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1010	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1011	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1012	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1013	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1014	B₂O₃	diboron trioxide
1015	B₂O₃	diboron trioxide
1016	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1017	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1018	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1019	HOONO₂	peroxy nitric acid	¹A	C₁
1020	HSO₄^-	bisulfate anion	¹A^'	C_s
1021	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1022	CHOOCHO	diformyl ether
1023	H₂SeO₄	Selenic acid	¹A	C₂
1024	C₃H₃NO	Isoxazole	¹A^'	C_s
1025	C₃H₃NO	Oxazole	¹A^'	C_s
1026	C₃H₃NS	Thiazole
1027	C₄H₄O	Furan	¹A₁	C₂
1028	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1029	C₄H₄Se	selenophene
1030	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1031	HOCHCCHOH	allenediol	¹A	C₂
1032	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1033	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1034	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1035	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1036	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1037	CH₂CHSCHCH₂	Divinyl sulfide
1038	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1039	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1040	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1041	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1042	C₄H₁₀O	1-Butanol	¹A^'	C_s
1043	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1044	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1045	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1046	C₄H₉SH	1-Butanethiol
1047	BrONO₂	Bromine nitrate	¹A^'	C_s
1048	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1049	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1050	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1051	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1052	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1053	CCl₄	Carbon tetrachloride	¹A₁	T_d
1054	CBrCl₂F	bromodichlorofluoromethane
1055	CBr₂ClF	dibromochlorofluoromethane
1056	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1057	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1058	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1059	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1060	GeBr₄	Germanium tetrabromide
1061	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1062	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1063	SeF₄	Selenium tetrafluoride
1064	SCl₄	Sulfur tetrachloride
1065	CF₃OH	trifluoromethanol	¹A^'	C_s
1066	CH₂ClCCCl	1,3-dichloropropyne
1067	CHCl₂CCH	3,3-dichloropropyne
1068	CHCl₂CHO	dichloroacetaldehyde
1069	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1070	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1071	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1072	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1073	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1074	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1075	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1076	CH₂FCH₂CH₂F	1,3-difluoropropane
1077	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1078	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1079	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1080	C₂H₂N₂O	Furazan
1081	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1082	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1083	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1084	C₆H₅^-	phenyl anion	¹A₁	C_2v
1085	C₆H₆	Prismane
1086	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1087	C₆H₆	Benzene	¹A_1g	D_6h
1088	C₆H₆	Benzvalene	¹A₁	C_2v
1089	C₆H₆	Dewar Benzene
1090	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1091	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1092	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1093	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1094	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1095	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1096	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1097	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1098	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1099	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1100	C₆H₁₂	hex-1-ene	¹A^'	C_s
1101	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1102	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1103	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1104	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1105	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1106	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1107	C₃H₂O₃	vinylene carbonate
1108	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1109	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1110	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1111	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1112	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1113	C₅H₆O	2H-Pyran
1114	C₅H₆O	Pentadienal
1115	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1116	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1117	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1118	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1119	C₅H₈O	Cyclopentanone	¹A	C₂
1120	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1121	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1122	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1123	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1124	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1125	C₄F₂	difluorobutadiyne
1126	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1127	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1128	C₂ClF₃	Ethene, chlorotrifluoro-
1129	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1130	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1131	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1132	C₂Br₄	tetrabromoethene
1133	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1134	SiF₅^-	silicon pentafluoride anion
1135	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1136	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1137	SF₅	Sulfur pentafluoride	²A₁	C_4v
1138	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1139	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1140	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1141	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1142	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1143	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1144	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1145	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1146	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1147	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1148	C₄H₈O₂	Butanoic acid	¹A	C₁
1149	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1150	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1151	C₇H₁₄	cycloheptane	¹A	C₂
1152	CH(CN)₃	tricyanomethane
1153	HN=C=C(CN)₂	Dicyanoketenimine
1154	C₅H₄O₂	furfural	¹A^'	OCCO cis
1155	C₅H₄O₂	furfural	¹A^'	OCCO trans
1156	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1157	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1158	C₅H₈O₂	Acetylacetone	¹A	C₂
1159	C₇H₁₀	Norbornene
1160	C₆H₁₂O	Oxepane
1161	F₂CCCF₂	tetrafluoroallene
1162	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1163	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1164	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1165	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1166	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1167	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1168	C₈H₆	Calicene	¹A₁	C_2v
1169	C₈H₈	cubane	¹A_1G	O_h
1170	S₄N₄	Tetrasulfur tetranitride
1171	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1172	C₅H₉NO₂	Proline	¹A	C₁
1173	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1174	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1175	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1176	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1177	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1178	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1179	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1180	C₆H₄Cl₂	1,4-dichlorobenzene
1181	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1182	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1183	C(CN)₄	tetracyanomethane	¹A₁	T_d
1184	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1185	C₃F₆	hexafluoropropene
1186	C₈H₁₈O	1-Octanol
1187	C₁₀H₈	Azulene	¹A₁	C_2v
1188	C₁₀H₈	naphthalene	¹A_g	D_2h
1189	C₁₀H₁₀	bullvalene
1190	C₁₀H₂₂	Decane	¹A_G	C_2h
1191	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1192	C₁₂H₈	biphenylene	¹A_g	D_2h
1193	S₂F₁₀	disulphur decafluoride
1194	C₁₃H₁₀	Fluorene
1195	C₁₄H₁₄	Bibenzyl	¹A	C₂
1196	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1197	C₁₉H₁₆	Triphenylmethane	¹A	C₃
1198	C₂₄H₁₂	Coronene	¹A_1G	D_6h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	HD	Deuterium hydride	hd
7	H₃⁺	hydrogen trimer cation	h3+
8	He^-	Helium atom anion	he-
9	HeH	Helium hydride	heh
10	Na^-	Sodium atom anion	na-
11	K	Potassium atom	k
12	K^-	Potassium atom anion	k-
13	K⁺	Potassium atom cation	k+
14	Cu	Copper atom	cu
15	Cu^-	Copper atom anion	cu-
16	Cu⁺	Copper atom cation	cu+
17	LiH^-	lithium hydride anion	lih-
18	NaH^-	sodium hydride anion	nah-
19	KH	Potassium hydride	kh
20	KH⁺	Potassium hydrogen cation	kh+
21	CuH	Copper monohydride	cuh
22	Be^-	Beryllium atom anion	be-
23	Mg^-	Magnesium atom anion	mg-
24	Ca	Calcium atom	ca
25	Ca^-	Calcium atom anion	ca-
26	Ca⁺	Calcium atom cation	ca+
27	Zn	Zinc atom	zn
28	Zn^-	Zinc atom anion	zn-
29	Zn⁺	Zinc atom cation	zn+
30	BeH^-	berylium monohydride anion	beh-
31	BeH⁺	beryllium monohydride cation	beh+
32	MgH^-	magnesium monohydride anion	mgh-
33	MgH⁺	magnesium monohydride cation	mgh+
34	CaH	Calcium monohydride	cah
35	CaH⁺	Calcium monohydride cation	cah+
36	ZnH	Zinc monohydride	znh
37	CaH₂	Calcium Hydride	cah2
38	ZnH₂	Zinc hydride	znh2
39	B^-	Boron atom anion	b-
40	BH^-	boron monohydride anion	bh-
41	BH⁺	boron monohydride cation	bh+
42	AlH	aluminum monohydride	alh
43	AlH^-	aluminum monohydride anion	alh-
44	AlH⁺	aluminum monohydride cation	alh+
45	BH₂	boron dihydride	bh2
46	AlH₂	aluminum dihydride	alh2
47	AlH₂^-	aluminum dihydride anion	alh2-
48	AlH₂⁺	aluminum dihydride cation	alh2+
49	BH₃^-	boron trihydride anion	bh3-
50	AlH₃⁺	aluminum trihydride cation	alh3+
51	AlH₄^-	Aluminum tetrahydride anion	alh4-
52	C^-	Carbon atom anion	c-
53	Ti	Titanium atom	ti
54	Ti^-	Titanium atom anion	ti-
55	Ti⁺	Titanium atom cation	ti+
56	Sn	Tin atom	sn
57	Sn⁺	Tin cation	sn+
58	CH^-	methylidyne anion	ch-
59	CH⁺	Methylidyne cation	ch+
60	SiH₂^-	silicon dihydride anion	sih2-
61	SiH₂⁺	silicon dihydride cation	sih2+
62	SiH₃^-	Silyl anion	sih3-
63	CH₄⁺	Methane cation	ch4+
64	SiH₄⁺	Silane cation	sih4+
65	SnH₄	Stannane	snh4
66	N^-	Nitrogen atom anion	n-
67	P^-	Phosphorus atom anion	p-
68	P⁺	Phosphorus atom cation	p+
69	Sb	Antimony atom	sb
70	NH	Imidogen	nh
71	NH^-	Imidogen anion	nh-
72	NH⁺	imidogen cation	nh+
73	PH^-	phosphorus monohydride anion	ph-
74	PH⁺	phosphorus monohydride cation	ph+
75	SbH	Antimony monohydride	sbh
76	ND₂	Amidogen-d2	nd2
77	NH₂^-	amino anion	nh2-
78	PH₂	Phosphino radical	ph2
79	PH₂^-	Phosphino anion	ph2-
80	PH₂⁺	Phosphino cation	ph2+
81	AsH₂	Arsenic dihydride	ash2
82	ND₃	Ammonia-d3	nd3
83	SbH₃	Stibine	sbh3
84	O^-	Oxygen atom anion	o-
85	Cr	Chromium atom	cr
86	Te	Tellurium atom	te
87	Te⁺	Tellurium atom cation	te+
88	DO	Hydroxyl-d	od
89	DS	Mercapto-d	ds
90	TeH	Telluryl radical	teh
91	D₂O	Deuterium oxide	d2o
92	D₂S	Hydrogen sulfide-d2	d2s
93	H₂Te	Hydrogen Telluride	h2te
94	Mn	Manganese atom	mn
95	I	Iodine atom	iodine
96	I^-	Iodine atom anion	iodine-
97	I⁺	Iodine atom cation	iodine+
98	DF	Hydrofluoric acid-d	df
99	DCl	Hydrochloric acid-d	dcl
100	HI	Hydrogen iodide	hi
101	HI⁺	Hydrogen iodide cation	hi+
102	H₂F⁺	dihydrogen fluoride cation	h2f+
103	H₂I⁺	Iodonium	h2i+
104	Ne^-	Neon atom anion	ne-
105	Ar^-	Argon atom anion	ar-
106	Ar⁺	Argon atom cation	ar+
107	Fe	Iron atom	fe
108	Xe	Xenon atom	xe
109	NeH⁺	neon hydrogen cation	neh+
110	XeH⁺	Xenon, protonated	xeh+
111	Co	Cobalt atom	cobalt
112	Ni	Nickel atom	ni
113	Li₂^-	lithium diatomic anion	li2-
114	Li₂⁺	lithium diatomic cation	li2+
115	NaLi^-	lithium sodium anion	lina-
116	NaLi⁺	lithium sodium cation	lina+
117	LiK	Lithium Potassium	lik
118	NaK	Sodium Potassium	nak
119	NaK⁺	Sodium Potassium diatomic cation	nak+
120	K₂	Potassium diatomic	k2
121	Cu₂	Copper diatomic	cu2
122	LiBe	Lithium Beryllium	libe
123	LiMg	Lithium magnesium	limg
124	NaBe	Sodium Beryllium	nabe
125	NaMg	Sodium Magnesium	namg
126	Be₂^-	Beryllium diatomic anion	be2-
127	Be₂⁺	Beryllium diatomic cation	be2+
128	Mg₂^-	magnesium diatomic anion	mg2-
129	Mg₂⁺	magnesium diatomic cation	mg2+
130	Ca₂	Calcium diatomic	ca2
131	B₂^-	Boron diatomic anion	b2-
132	Al₂	Aluminum diatomic	al2
133	Al₂^-	aluminum diatomic anion	al2-
134	Al₂⁺	aluminum diatomic cation	al2+
135	CaC	Calcium monocarbide	cac
136	BC^-	boron monocarbide anion	bc-
137	BC⁺	boron monocarbide cation	bc+
138	C₂^-	carbon diatomic anion	c2-
139	SiC^-	silicon monocarbide anion	sic-
140	SiC⁺	silicon monocarbide cation	sic+
141	Si₂	Silicon diatomic	si2
142	Si₂^-	silcon diatomic anion	si2-
143	Si₂⁺	silcon diatomic cation	si2+
144	Ge₂	Germanium diatomic	ge2
145	C₂H⁺	Ethynyl cation	c2h+
146	ZnCH₂	Zinc methylene	znch2
147	CCH₂	vinylidene	vinylidene
148	CuCH₃	monomethyl copper	cuch3
149	ZnCH₃	Zinc monomethyl	znch3
150	CH₃CH	methylmethylene	ch3ch
151	CH₂SiH₂	silaethylene	ch2sih2
152	C₂H₅⁺	Ethyl cation	c2h5+
153	C₂H₆⁺	ethane cation	c2h6+
154	CH₃SiH₃	methyl silane	ch3sih3
155	GeH₃CH₃	methyl germane	geh3ch3
156	C₂H₇⁺	Ethane, protonated	c2h7+
157	LiN⁺	Lithium Nitride cation	lin+
158	BeN^-	Beryllium mononitride anion	ben-
159	BN^-	boron nitride anion	bn-
160	AlN^-	aluminum mononitride anion	aln-
161	AlN⁺	aluminum mononitride cation	aln+
162	BN⁺	boron nitride cation	bn+
163	AlN	Aluminum nitride	aln
164	CN⁺	Cyano cation	cn+
165	CP	Carbon monophosphide	cp
166	CP^-	carbon monophosphide anion	cp-
167	CP⁺	carbon monophosphide cation	cp+
168	SiN	Silicon nitride	sin
169	SiN^-	silicon mononitride anion	sin-
170	SiN⁺	silicon mononitride cation	sin+
171	SiP^-	Silicon monophosphide anion	sip-
172	SiP⁺	Silicon monophosphide cation	sip+
173	TiN	Titanium mononitride	tin
174	PN^-	phosphorus nitride anion	pn-
175	PN⁺	phosphorus nitride cation	pn+
176	P₂^-	phosphorus diatomic anion	p2-
177	P₂⁺	phosphorus diatomic cation	p2+
178	SbN	Antimony nitride	sbn
179	As₂	Arsenic diatomic	as2
180	HNB	hydrogen nitrogen boron	hnb
181	HNC	hydrogen isocyanide	hnc
182	HCN^-	Hydrogen cyanide anion	hcn-
183	HCP	Phosphaethyne	hcp
184	NNH	Dinitrogen monohydride	nnh
185	HPO	Hydrogen phosphorus oxide	hpo
186	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
187	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
188	H₂CN⁺	hydrocyanonium cation	h2cn+
189	HCNH⁺	N-protonated HCN	hcnh+
190	P₂H₄	Diphosphine	p2h4
191	CH₃PH₂	Methyl phosphine	ch3ph2
192	CH₃NH₃⁺	protonated methylamine	ch3nh3+
193	LiO^-	lithium oxide anion	lio-
194	LiO⁺	lithium oxide cation	lio+
195	NaO^-	sodium oxide anion	nao-
196	NaO⁺	sodium oxide cation	nao+
197	KO	Potassium monoxide	ko
198	KO⁺	Potassium monoxide cation	ko+
199	CuO	Copper Monoxide	cuo
200	BeO^-	Beryllium monoxide anion	beo-
201	BeS	beryllium sulfide	bes
202	MgO	magnesium oxide	mgo
203	MgO^-	magnesium oxide anion	mgo-
204	MgO⁺	magnesium oxide cation	mgo+
205	CaO	Calcium monoxide	cao
206	MgS	magnesium sulfide	mgs
207	MgS^-	magnesium sulfide anion	mgs-
208	MgS⁺	magnesium sulfide cation	mgs+
209	CaS	Calcium sulfide	cas
210	ZnO	zinc monoxide	zno
211	ZnS	Zinc sulfide	zns
212	BeS^-	Beryllium monosulfide anion	bes-
213	BeS⁺	Beryllium monosulfide cation	bes+
214	BO^-	boron monoxide anion	bo-
215	AlO	Aluminum monoxide	alo
216	AlO^-	Aluminum monoxide anion	alo-
217	AlO⁺	aluminum monoxide cation	alo+
218	BS	boron sulfide	bs
219	BS^-	boron monosulfide anion	bs-
220	BS⁺	boron monosulfide cation	bs+
221	AlS	Aluminum sulfide	als
222	AlS^-	aluminum monosulfide anion	als-
223	AlS⁺	aluminum monosulfide cation	als+
224	BO⁺	boron monoxide cation	bo+
225	CS	carbon monosulfide	cs
226	CS^-	carbon monosulfide anion	cs-
227	CS⁺	carbon monosulfide cation	cs+
228	SiO^-	silicon monoxide anion	sio-
229	SiO⁺	silicon monoxide cation	sio+
230	SiS^-	silicon monosulfide anion	sis-
231	SiS⁺	silicon monosulfide cation	sis+
232	CSe^-	Carbon monoselenide anion	cse-
233	CSe⁺	Carbon monoselenide cation	cse+
234	NS⁺	nitrogen sulfide cation	ns+
235	PO^-	phosphorus monoxide anion	po-
236	PO⁺	phosphorus monoxide cation	po+
237	PS^-	phosphorus monosulfide anion	ps-
238	PS⁺	phosphorus monosulfide cation	ps+
239	AsO	Arsenic monoxide	aso
240	SO^-	sulfur monoxide anion	so-
241	S₂^-	sulfur diatomic anion	s2-
242	S₂⁺	sulfur diatomic cation	s2+
243	SeO^-	selenium monoxide anion	seo-
244	SeO⁺	selenium monoxide cation	seo+
245	SeS	Selenium monosulfide	ses
246	SeS^-	selenium monosulfide anion	ses-
247	SeS⁺	selenium monosulfide cation	ses+
248	TeO	Tellurium monoxide	teo
249	Se₂^-	selenium diatomic anion	se2-
250	Se₂⁺	selenium diatomic cation	se2+
251	Te₂	Tellurium diatomic	te2
252	NaOH	sodium hydroxide	naoh
253	KOH	Potassium hydroxide	koh
254	MgOH	magnesium hydroxide	mgoh
255	CaOH	Calcium monohydroxide	caoh
256	HCS	Thioformyl radical	hcs
257	HCS^-	Thioformyl anion	hcs-
258	HCS⁺	Thioformyl cation	hcs+
259	HNO^-	Nitrosyl hydride anion	hno-
260	HNS	Sulfur imide	hns
261	HNS^-	Sulfur imide anion	hns-
262	HO₂^-	Hydroperoxy anion	ho2-
263	CH₃O	Methoxy radical	ch3o
264	CH₃S	thiomethoxy	ch3s
265	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
266	CH₃SeH	Methane selenol	ch3seh
267	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
268	H₂ONH₃	Water Ammonia Dimer	h2onh3
269	LiCl^-	lithium chloride anion	licl-
270	LiCl⁺	lithium chloride cation	licl+
271	NaF^-	sodium fluoride anion	naf-
272	KF	Potassium Fluoride	kf
273	NaCl^-	sodium chloride anion	nacl-
274	NaCl⁺	sodium chloride cation	nacl+
275	KCl	Potassium Chloride	kcl
276	CuF	Copper monofluoride	cuf
277	LiBr^-	lithium bromide anion	libr-
278	LiBr⁺	lithium bromide cation	libr+
279	CuCl	Copper monochloride	cucl
280	NaBr	Sodium Bromide	nabr
281	NaBr^-	sodium bromide anion	nabr-
282	NaBr⁺	sodium bromide cation	nabr+
283	KBr	Potassium Bromide	kbr
284	LiI	Lithium Iodide	lii
285	NaI	Sodium Iodide	nai
286	KI	Potassium Iodide	ki
287	LiF^-	lithium fluoride anion	lif-
288	BeF	Beryllium monofluoride	bef
289	BeF⁺	Beryllium monofluoride cation	bef+
290	BeCl	beryllium monochloride	becl
291	MgF	Magnesium monofluoride	mgf
292	MgF^-	magnesium fluoride anion	mgf-
293	CaF	Calcium monofluoride	caf
294	MgCl	magnesium monochloride	mgcl
295	MgCl^-	magnesium monochloride anion	mgcl-
296	MgCl⁺	magnesium monochloride cation	mgcl+
297	CaCl	calcium monochloride	cacl
298	ZnF^-	Zinc monofluoride anion	znf-
299	ZnF⁺	Zinc monofluoride cation	znf+
300	ZnCl	Zinc monochloride	zncl
301	CaBr	Calcium monobromide	cabr
302	BeCl^-	beryllium monochloride anion	becl-
303	BeCl⁺	beryllium monochloride cation	becl+
304	BF^-	Boron monofluoride anion	bf-
305	BF⁺	Boron monofluoride cation	bf+
306	AlF^-	Aluminum monofluoride anion	alf-
307	AlF⁺	Aluminum monofluoride cation	alf+
308	BCl	boron monochloride	bcl
309	BCl^-	boron monochloride anion	bcl-
310	BCl⁺	boron monochloride cation	bcl+
311	AlCl^-	aluminum monochloride anion	alcl-
312	AlCl⁺	aluminum monochloride cation	alcl+
313	AlI	Aluminum monoiodide	ali
314	CF^-	carbon monofluoride anion	cf-
315	CF⁺	carbon monofluoride cation	cf+
316	CCl	carbon monochloride	ccl
317	CCl^-	carbon monochloride anion	ccl-
318	CCl⁺	carbon monochloride cation	ccl+
319	SiCl^-	silicon monochloride anion	sicl-
320	SiCl⁺	silicon monochloride cation	sicl+
321	NF	nitrogen fluoride	nf
322	NF^-	nitrogen monofluorine anion	nf-
323	NF⁺	nitrogen monofluoirde cation	nf+
324	NCl^-	nitrogen monochloride anion	ncl-
325	NCl⁺	nitrogen monochloride cation	ncl+
326	PF	phosphorus monofluoride	pf
327	PF^-	phosphorus monofluoride anion	pf-
328	PF⁺	phosphorus monofluoride cation	pf+
329	PCl	phosphorus chloride	pcl
330	PCl^-	phosphorus monochloride anion	pcl-
331	PCl⁺	phosphorus monochloride cation	pcl+
332	SbF	Antimony monofluoride	sbf
333	SbCl	Antimony monochloride	sbcl
334	FO^-	flourine oxide anion	fo-
335	FO⁺	fluorine monoxide cation	fo+
336	ClO^-	chlorine monoxide anion	clo-
337	SF^-	sulfur monofluoride anion	sf-
338	SCl^-	sulfur monochloride anion	scl-
339	IO	Iodine monoxide	io
340	ClF^-	clorine monofluoride anion	clf-
341	BrF^-	bromine fluoride anion	brf-
342	BrF⁺	bromine fluoride cation	brf+
343	BrCl^-	bromine chloride anion	brcl-
344	BrCl⁺	bromine chloride cation	brcl+
345	IF	Iodine monofluoride	if
346	ICl	Iodine monochloride	icl
347	IBr	Iodine monobromide	ibr
348	I₂	Iodine diatomic	i2
349	I₂⁺	Iodine diatomic cation	i2+
350	CHBr	bromomethylene	chbr
351	DOCl	Hypochlorous acid-d	docl
352	HOI	Hypoiodous acid	hoi
353	FHF	Hydrogen difluoride	fhf
354	FHF^-	Hydrogen difluoride anion	fhf-
355	NH₂F	monofluoroamine	nh2f
356	H₂F₂	Hydrogen fluoride dimer	h2f2
357	CH₃I	methyl iodide	ch3i
358	SiH₃I	Silyl Iodide	sih3i
359	Ne₂	Neon diatomic	ne2
360	C₃⁺	carbon trimer cation	c3+
361	C₃H₃	Propargyl radical	propargyl
362	C₃H₃^-	Propargyl anion	c3h3-
363	C₃H₃⁺	cyclopropenyl cation	cpr+
364	C₃H₃⁺	Propargyl cation	c3h3+
365	C₃H₅⁺	Allyl cation	allyl+
366	Zn(CH₃)₂	dimethyl zinc	dmz
367	SiH₂(CH₃)₂	dimethylsilane	dms
368	KCN	Potassium cyanide	kcn
369	CuCN	Copper cyanide	cucn
370	N₃^-	azide anion	n3-
371	HCNN	diazomethyl radical	hcnn
372	CH₂N₂	diazirine	ch2n2
373	CH₂NN	diazomethane	ch2nn
374	CH₃CN⁺	Acetonitrile cation	ch3cn+
375	CH₃NC	methyl isocyanide	ch3nc
376	NHCHNH₂	aminomethanimine	cn2h4
377	C₂H₅N	Aziridine	c2h5n
378	CH₂CHNH₂	aminoethene	aminoethene
379	CH₂NCH₃	N-methylmethanimine	nmm
380	NH₂BHNH₂	diaminoborane	nh2bhnh2
381	CH₃NHCH₃	Dimethylamine	ch3nhch3
382	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
383	Li₂O⁺	dilithium oxide cation	li2o+
384	CNO^-	fulminate	cno-
385	NCO^-	cyanate	nco-
386	SCN	thiocyanato radical	scn
387	SCN^-	thiocyanide anion	scn-
388	BO₂	Boron dioxide	bo2
389	BO₂^-	Boron dioxide anion	bo2-
390	BO₂⁺	Boron dioxide cation	bo2+
391	N₂O⁺	Nitrous oxide cation	n2o+
392	CO₂^-	Carbon dioxide anion	co2-
393	OCS⁺	Carbonyl sulfide cation	cos+
394	SiO₂	silicon dioxide	sio2
395	CS₂⁺	Carbon disulfide cation	cs2+
396	SCTe	Carbon sulfide Telluride	scte
397	NO₂^-	Nitrogen dioxide anion	no2-
398	PO₂	Phosphorus dioxide	po2
399	PO₂^-	Phosphorus dioxide anion	po2-
400	PO₂⁺	Phosphorus dioxide cation	po2+
401	O₃^-	Ozone anion	o3-
402	O₃⁺	Ozone cation	o3+
403	SO₂^-	Sulfur dioxide anion	so2-
404	SO₂⁺	Sulfur dioxide cation	so2+
405	S₃^-	Sulfur trimer anion	s3-
406	TeO₂	Tellurium Dioxide	teo2
407	CS₂H⁺	Carbon disulfide, protonated	cs2h+
408	HNCO	Isocyanic acid	hnco
409	HOCN	cyanic acid	hocn
410	HCO₂^-	formate anion	hco2-
411	HNNO	nitrosoazane	hnno
412	HOCO⁺	Hydrocarboxyl cation	hoco+
413	HNO₂	Nitrous acid	hno2
414	HNO₂⁺	nitrous acid cation	hno2+
415	CH₂CO⁺	Ketene cation	ch2co+
416	HCCOH	ethynol	hccoh
417	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
418	CH₂O₂	Dioxirane	diox
419	CH₂CHO	Vinyloxy radical	ch2cho
420	CH₃CO	Acetyl radical	ch3co
421	CH₃CO^-	Acetyl anion	ch3co-
422	CH₃CO⁺	acetyl cation	ch3co+
423	CH₂OOH	CH2OOH radical	ch2ooh
424	CH₃OO	methylperoxy radical	ch3oo
425	CH₃OO^-	methylperoxy anion	ch3oo-
426	CH₃OO⁺	methylperoxy cation	ch3oo+
427	CH₂CHOH	ethenol	ch2choh
428	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
429	CH₃OOH	Methyl peroxide	ch3ooh
430	H₂OH₂CO	water formaldehyde dimer	h2oh2co
431	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
432	CH₃CH₂O	Ethoxy radical	ethoxy
433	CH₃OCH₂	methoxymethyl radical	ch3och2
434	CH₃OHH₂O	methanol water dimer	ch3ohh2o
435	H₂OCH₃OH	water methanol dimer	h2och3oh
436	ZnF₂	Zinc difluoride	znf2
437	FCN	Cyanogen fluoride	fcn
438	ClCN	chlorocyanogen	clcn
439	ICN	Cyanogen iodide	icn
440	MgCl₂	Magnesium dichloride	mgcl2
441	CaCl₂	Calcium Chloride	cacl2
442	ZnCl₂	Zinc dichloride	zncl2
443	CaBr₂	Calcium dibromide	cabr2
444	CaF₂	Calcium difluoride	caf2
445	BrNO	Nitrosyl bromide	brno
446	INO	Nitrosyl iodide	ino
447	CF₂^-	Difluoromethylene anion	cf2-
448	CF₂⁺	Difluoromethylene cation	cf2+
449	CCl₂	dichloromethylene	ccl2
450	CCl₂^-	dichloromethylene anion	ccl2-
451	CCl₂⁺	dichloromethylene cation	ccl2+
452	SiCl₂	Dichlorosilylene	sicl2
453	FOO	Dioxygen monofluoride radical	foo
454	ClOO	chloroperoxy radical	cloo
455	ClOO⁺	chloroperoxy cation	cloo+
456	OClO⁺	Chlorine dioxide cation	oclo+
457	ClS₂	Sulfur chloride	cls2
458	NF₂	Difluoroamino radical	nf2
459	NF₂⁺	Difluoroamino cation	nf2+
460	F₂O	Difluorine monoxide	f2o
461	SF₂⁺	sulfur difluoride cation	sf2+
462	Cl₂O	Dichlorine monoxide	cl2o
463	BrOCl	Bromine hypochlorite	brocl
464	BrOBr	Bromine oxide	brobr
465	I₃^-	triiodide	i3-
466	HCCF⁺	fluoroacetylene cation	hccf+
467	HFCO	formyl fluoride	hfco
468	COHCl	Formyl chloride	cohcl
469	COHBr	Formyl bromide	cohbr
470	BHF₂	Difluoroborane	bhf2
471	BHCl₂	Borane, dichloro-	bhcl2
472	HOClO	Chlorous acid	hoclo
473	CH₂FCl	fluorochloromethane	ch2fcl
474	CH₂FI	fluoroiodomethane	ch2fi
475	CH₂ClI	chloroiodomethane	ch2cli
476	CH₂BrI	bromoiodomethane	ch2bri
477	CH₂I₂	Diiodomethane	ch2i2
478	CH₂CHF⁺	fluoroethene cation	ch2chf+
479	C₂H₃Cl	Ethene, chloro-	ch2chcl
480	C₂H₃Br	vinyl bromide	c2h3br
481	C₂H₃I	Vinyl iodide	c2h3i
482	CH₃OCl	methyl hypochlorite	ch3ocl
483	C₂H₅F	fluoroethane	c2h5f
484	CH₃CH₂Cl	Ethyl chloride	c2h5cl
485	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
486	C₂H₅I	Ethyl iodide	c2h5i
487	XeF₂	Xenon difluoride	xef2
488	C₄⁺	Carbon tetramer cation	c4+
489	C₂H₃CCH	1-Buten-3-yne	c2h3cch
490	H₂CCCCH₂	Butatriene	h2cccch2
491	C₄H₆	Cyclobutene	c822355
492	C₄H₆	Methylenecyclopropane	c6142730
493	CH₂CCHCH₃	1,2-Butadiene	butad12
494	CH₃CCCH₃	2-Butyne	c503173
495	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
496	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
497	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
498	B(CH₃)₃	trimethylborane	bme3
499	Al(CH₃)₃	trimethyl aluminum	tma
500	C(CH₃)₃	Tert-butyl radical	tbutyl
501	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
502	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
503	CH₃CH(CH₃)CH₃	Isobutane	isobutane
504	SiH(CH₃)₃	trimethylsilane	trimsi
505	C₂N₂⁺	Cyanogen cation	c2n2+
506	P₄	Phosphorus tetramer	p4
507	HCCCN	Cyanoacetylene	hcccn
508	C₃H₃N	acrylonitrile	ch2chcn
509	CH₅N₃	Guanidine	guanidine
510	CH₆N₃⁺	guanidinium	ch6n3+
511	C₃H₇N	Cyclopropylamine	cpram
512	C₃H₇N	Azetidine	azet
513	C₂H₈N₂	Ethylenediamine	ethdiam
514	CH₃NHNHCH₃	dimethyl hydrazine	dmh
515	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
516	N(CH₃)₃	Trimethylamine	trimeam
517	As(CH₃)₃	trimethyl arsine	tmas
518	Li₂O₂	dilithium dioxide	li2o2
519	Na₂O₂	disodium dioxide	na2o2
520	K₂O₂	dipotassium dioxide	k2o2
521	B₂O₂	Diboron dioxide	b2o2
522	CO₃	Carbon trioxide	co3
523	CO₃^--	carbonate	co3--
524	NO₃	Nitrogen trioxide	no3
525	SO₃^-	Sulfur trioxide anion	so3-
526	SO₃⁺	Sulfur trioxide cation	so3+
527	TeO₃	Tellurium trioxide	teo3
528	HCO₃^-	bicarbonate anion	hco3-
529	HSO₃	Hydroxysulfonyl radical	hso3
530	C₂H₂CO	cyclopropenone	c2h2co
531	HCCCHO	2-propynal	hcccho
532	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
533	H₂CO₃	Carbonic acid	h2co3
534	H₂CS₃	thiocarbonic acid	h2cs3
535	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
536	CH₃COO^-	acetate anion	ch3coo-
537	CH₃ONO	Methyl nitrite	ch3ono
538	H₃BO₃	Boric acid	h3bo3
539	H₃CO₃⁺	carbonic acid, protonated	h3co3+
540	C₃H₄O	2-Propyn-1-ol	c107197
541	C₃H₄O	allenol	c9000071
542	C₃H₄O	Cyclopropanone	cpone
543	C₃H₄O	Methylketene	c6004440
544	NH₂CONH₂⁺	Urea cation	urea+
545	NH₂CSNH₂	Thiourea	thiourea
546	C₂H₄O₂	1,3-dioxetane	c2h4o2
547	CH₃COOH	Acetic acid	ch3cooh
548	CH₃OCHO	methyl formate	ch3ocho
549	CHOCH₂OH	hydroxy acetaldehyde	haa
550	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
551	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
552	HCOOHH₂O	Formic acid water dimer	hcoohh2o
553	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
554	CH₃CONH₂	Acetamide	acetamide
555	C₂H₅OO	ethylperoxy radical	c2h5oo
556	C₃H₆O	Propylene oxide	prox
557	C₃H₆S	Thietane	thietane
558	C₃H₆S	Thiirane, methyl-	methiirane
559	C₂H₆O₂	1,2-Ethanediol	ethdiol
560	CH₃OOCH₃	dimethylperoxide	dmp
561	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
562	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
563	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
564	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
565	C₃H₇SH	1-Propanethiol	prsh
566	CH₃CHSHCH₃	2-Propanethiol	isoprsh
567	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
568	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
569	Na₂F₂	Sodium Fluoride Dimer	na2f2
570	Na₂Cl₂	Disodium dichloride	na2cl2
571	C₂F₂	difluoroacetylene	c2f2
572	C₂Cl₂	dichloroacetylene	c2cl2
573	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
574	ClNO₂	Nitryl chloride	clno2
575	BrONO	Bromine nitrite	brono
576	N₂F₂	(Z)-Difluorodiazene	n2f2_z
577	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
578	COFCl	Carbonic chloride fluoride	cofcl
579	CCl₂O	Phosgene	cl2co
580	COBr₂	Carbonic dibromide	cobr2
581	BF₃^-	Borane, trifluoro- anion	bf3-
582	AlF₂Cl	Aluminum chloride difluoride	alclf2
583	AlFCl₂	Aluminum dichloride fluoride	alcl2f
584	AlCl₃	Aluminum trichloride	alcl3
585	AlBr₃	Aluminum Bromide	albr3
586	ClO₃	Chlorine trioxide	clo3
587	ClO₃^-	chlorate anion	clo3-
588	BrO₃^-	Bromate anion	bro3-
589	CF₃	Trifluoromethyl radical	cf3
590	CCl₃	Trichloromethyl radical	ccl3
591	CCl₃^-	Trichloromethyl anion	ccl3-
592	CCl₃⁺	Trichloromethyl cation	ccl3+
593	SiCl₃	trichlorosilyl radical	sicl3
594	SiCl₃⁺	trichlorosilyl cation	sicl3+
595	FOOF	Perfluoroperoxide	foof
596	FSSF	Difluorodisulfane	fssf
597	S₂F₂	Thio-thionyl fluoride	s2f2
598	SOCl₂	thionyl chloride	socl2
599	SeOCl₂	selenium oxychloride	seocl2
600	NF₃^-	Nitrogen trifluoride anion	nf3-
601	NF₃⁺	Nitrogen trifluoride cation	nf3+
602	PF₃	Phosphorus trifluoride	pf3
603	AsF₃	Arsenic trifluoride	asf3
604	PCl₃	Phosphorus trichloride	pcl3
605	SbF₃	Antimony Trifluoride	sbf3
606	SbCl₃	Antimony Trichloride	sbcl3
607	AsBr₃	Arsenic tribromide	asbr3
608	NI₃	Nitrogen triiodide	ni3
609	PI₃	Phosphorus triiodide	pi3
610	ClSSCl	Disulfur dichloride	s2cl2
611	BrF₃	Bromine trifluoride	brf3
612	IF₃	iodone trifluoride	if3
613	CHF₂Cl	difluorochloromethane	chf2cl
614	CHFCl₂	fluorodichloromethane	chfcl2
615	SiHCl₃	Trichlorosilane	sihcl3
616	CHF₂I	difluoroiodomethane	chf2i
617	CHFClI	fluorochloroiodomethane	chfcli
618	CHCl₂I	dichloroiodomethane	chcl2i
619	CHClBr₂	Methane, dibromochloro-	chclbr2
620	CHBr₃	bromoform	chbr3
621	CHI₃	Iodoform	chi3
622	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
623	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
624	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
625	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
626	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
627	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
628	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
629	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
630	CH₃COF	Acetyl fluoride	ch3cof
631	CH₂ClCHO	chloroacetaldehyde	ch2clcho
632	CH₃COCl	Acetyl Chloride	ch3cocl
633	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
634	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
635	CH₂CFCH₃	2-fluoropropene	2fpro
636	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
637	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
638	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
639	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
640	CH₃CH₂CH₂Br	n-propyl bromide	prbr
641	CH₃CHBrCH₃	i-propyl bromide	iprbr
642	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
643	C₅H₅^-	cylopentadienyl anion	c5h5-
644	C₅H₆	1,3-Cyclopentadiene	c542927
645	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
646	C₅H₆	3-Penten-1-yne, (E)-	c2004695
647	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
648	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
649	C₅H₆	Cyclopropylacetylene	c6746947
650	C₅H₇	1,3-pentadienyl radical	pdyl
651	C₅H₇	cyclopentenyl radical	cpyl
652	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
653	C₅H₈	1,2-Pentadiene	c591957
654	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
655	C₅H₈	1,3-Pentadiene, (E)-	c2004708
656	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
657	C₅H₈	1,4-Pentadiene	c591935
658	C₅H₈	1-pentyne	a1pentyne
659	C₅H₈	2,3-Pentadiene	c591968
660	C₅H₈	Cyclobutane, methylene-	c1120565
661	C₅H₈	Cyclopentene	c142290
662	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
663	C₅H₁₀	1-Butene, 2-methyl-	c563462
664	C₅H₁₀	2-Butene, 2-methyl-	c513359
665	C₅H₁₀	2-Pentene, (E)-	c646048
666	C₅H₁₀	2-Pentene, (Z)-	c627203
667	C₅H₁₀	Cyclopentane	c287923
668	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
669	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
670	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
671	C₅H₁₂	Butane, 2-methyl-	buta2
672	C₅H₁₂	Pentane	pentane
673	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
674	Si(CH₃)₄	tetramethylsilane	tms
675	N₂O₃	Dinitrogen trioxide	n2o3
676	C₃H₂N₂	Malononitrile	c3h2n2
677	C₂H₃N₃	1H-1,2,4-Triazole	c288880
678	C₃H₄N₂	1H-Pyrazole	1hpyraz
679	C₄H₅N	(E)-2-Butenenitrile	c627269
680	C₄H₅N	(Z)-2-Butenenitrile	c1190767
681	C₄H₅N	2H-pyrrole	pyrrole2
682	C₄H₅N	3H-pyrrole	pyrrole3
683	C₄H₅N	Cyclopropanecarbonitrile	c5500210
684	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
685	C₃H₆N₂	3-Aminopropionitrile	c151188
686	C₅H₈	Bicyclo[2.1.0]pentane	c185944
687	C₅H₈	Spiropentane	c157404
688	C₄H₉N	Cyclobutylamine	cbam
689	C₄H₉N	Pyrrolidine	pyrrolidine
690	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
691	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
692	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
693	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
694	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
695	C₃O₂⁺	Carbon suboxide cation	c3o2+
696	CaCO₃	Calcium Carbonate	caco3
697	PO₄^---	phosphate	po4---
698	SO₄^--	sulfate	so4--
699	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
700	CHOCOOH	oxo acetic acid	oaa
701	H₂SO₄	Sulfuric acid	h2so4
702	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
703	CH₃NO₃	Methyl nitrate	ch3no3
704	H₃PO₄	Phosphoric Acid	h3po4
705	C₄H₄O⁺	Furan cation	furan+
706	C₄H₄S	Thiophene	furans
707	C₃H₄O₂	β–Propiolactone	beta
708	C₃H₄O₂	2-Propenoic acid	propenoic2
709	C₃H₄O₂	propanedial	propanedial
710	C₃H₄O₂	propenalol	propenalol
711	C₂H₄O₃	trioxolane124	triox
712	HOCH₂COOH	Hydroxyacetic acid	hac
713	CH₂CHCONH₂	Acrylamide	c79061
714	CH₅N₃S	Hydrazinecarbothioamide	c79196
715	H₂NCH₂COOH	Glycine	glycine
716	C₄H₆O	cis-2-butenal	butenal2c
717	C₄H₆O	Cyclobutanone	cbutone
718	C₄H₆O	Furan, 2,3-dihydro-	furan23h
719	C₄H₆O	Furan, 2,5-dihydro-	furan25h
720	CHOCHCHCH₃	2-Butenal	butenal2
721	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
722	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
723	C₂H₆N₂O	Urea, methyl-	c598505
724	C₃H₆O₂	1,3-Dioxolane	dioxolane
725	CH₃COOCH₃	methyl acetate	aame
726	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
727	C₃H₇NO	dimethylformamide	dmf
728	C₃H₇NO	Propanamide	propanam
729	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
730	C₄H₈O	Cyclobutanol	c2919235
731	C₄H₈O	Furan, tetrahydro-	thf
732	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
733	CH₃COCH₂CH₃	2-Butanone	buta2one
734	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
735	CHOCH₂CH₂CH₃	Butanal	butanal
736	C₃H₈O₂	1,3-Propanediol	c504632
737	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
738	C₃H₈O₂	Methane, dimethoxy-	c109875
739	C₃H₈O₂	Propylene glycol	c57556
740	C₃H₈S₂	1,3-Propanedithiol	c109808
741	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
742	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
743	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
744	C₄H₁₀O	Propane, 2-methoxy-	c598538
745	C₄H₁₀O⁺	1-Butanol cation	butanol1+
746	C₂H₅SC₂H₅	Diethyl sulfide	etset
747	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
748	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
749	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
750	FNO₃	Fluorine nitrate	fno3
751	ClONO₂	Chlorine nitrate	clono2
752	TiCl₄	Titanium tetrachloride	ticl4
753	ClO₄^-	perchlorate anion	clo4-
754	BF₄^-	tetrafluoroboron anion	bf4-
755	ClFO₃	Perchloryl fluoride	clfo3
756	SO₂F₂	Sulfuryl fluoride	so2f2
757	SO₂Cl₂	Sulfuryl chloride	so2cl2
758	F₃NO	Nitrogen trifluoride oxide	f3no
759	F₃PO	Phosphoryl fluoride	pf3o
760	Cl₃PO	Phosphoryl chloride	pcl3o
761	CF₄	Carbon tetrafluoride	cf4
762	SiF₄	Silicon tetrafluoride	sif4
763	CFCl₃	Trichloromonofluoromethane	cfcl3
764	CCl₄⁺	Carbon tetrachloride cation	ccl4+
765	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
766	SiCl₄	Silane, tetrachloro-	sicl4
767	CF₃I	trifluoroiodomethane	cf3i
768	CBrCl₃	Methane, bromotrichloro-	cbrcl3
769	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
770	GeCl₄	Germanium Tetrachloride	gecl4
771	CCl₃I	trichloroiodomethane	ccl3i
772	CFClBrI	fluorochlorobromoiodomethane	cfclbri
773	CF₂I₂	difluorodiiodomethane	cf2i2
774	CBr₄	Carbon tetrabromide	cbr4
775	CCl₂I₂	dichlorodiiodomethane	ccl2i2
776	CBr₃I	tribromoiododmethane	cbr3i
777	CI₄	tetraiodomethane	ci4
778	SiI₄	silicon tetraiodide	sii4
779	C₂HF₃	Trifluoroethylene	c2hf3
780	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
781	CHClCCl₂	Trichloroethylene	chclccl2
782	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
783	HClO₄	perchloric acid	hclo4
784	HSO₃F	Fluorosulfonic acid	hso3f
785	CHClCCHCl	1,3-dichloroallene	chclcchcl
786	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
787	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
788	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
789	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
790	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
791	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
792	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
793	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
794	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
795	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
796	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
797	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
798	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
799	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
800	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
801	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
802	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
803	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
804	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
805	C₄H₉F	1-fluorobutane	butaf1
806	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
807	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
808	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
809	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
810	XeF₄	Xenon tetrafluoride	xef4
811	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
812	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
813	C₆H₄	Benzyne	benzyne
814	C₆H₅	phenyl	phenyl
815	C₆H₆	2,4-Hexadiyne	hexadiyne
816	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
817	C₆H₆⁺	Benzene cation	c6h6+
818	C₆H₈	(E)-hexa-1,3,5-triene	c821078
819	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
820	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
821	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
822	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
823	C₆H₈	3-Methylenecyclopentene	c930267
824	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
825	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
826	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
827	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
828	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
829	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
830	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
831	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
832	C₆H₁₀	1-Hexyne	hexyne1
833	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
834	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
835	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
836	C₆H₁₀	2-Hexyne	c764352
837	C₆H₁₀	cyclohexene	cyclohexene
838	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
839	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
840	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
841	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
842	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
843	C₆H₁₂	(E)-2-Hexene	e2hexene
844	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
845	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
846	C₆H₁₂	(Z)-hex-2-ene	z2hexene
847	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
848	C₆H₁₂	3-methylenepentane	c760214
849	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
850	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
851	C₆H₁₂	Cyclohexane	cyclohexane
852	C₆H₁₂	Cyclopentane, methyl-	c96377
853	C₆H₁₂	Ethylcyclobutane	c4806615
854	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
855	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
856	C₆H₁₄	Hexane	hexane
857	C₆H₁₄	Pentane, 2-methyl-	penta2
858	C₆H₁₄	Pentane, 3-methyl-	penta3
859	C₄N₂	2-Butynedinitrile	c4n2
860	C₂H₂N₄	sym-tetrazine	ttz
861	C₃H₃N₃	1,3,5-Triazine	triazine135
862	CH₃N₅	5-Aminotetrazole	c4418615
863	C₄H₄N₂	1,3-Diazine	diazine13
864	C₄H₄N₂	Pyrazine	pyrazine
865	C₄H₄N₂	Pyridazine	pyridazine
866	C₄H₄N₂	Succinonitrile	c110612
867	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
868	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
869	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
870	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
871	C₅H₅N	E-2,4-pentadienenitrile	bdcn
872	C₅H₅N	Pyridine	pyridine
873	B₃N₃H₆	borazine	borazine
874	C₆H₆	Fulvene	fulvene
875	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
876	C₅H₇N	(E)-2-Pentenenitrile	c26294984
877	C₅H₇N	(E)-3-Pentenenitrile	c16529661
878	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
879	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
880	C₅H₇N	Cyclobutanecarbonitrile	c4426113
881	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
882	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
883	C₅H₉N	Pentanenitrile	c110598
884	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
885	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
886	C₅H₁₁N	Cyclopentanamine	cypentam
887	C₅H₁₁N	Piperidine	piper
888	C₄H₁₂N₂	1,2-Butanediamine	c4426486
889	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
890	Li₂CO₃	Lithium Carbonate	li2co3
891	C₂O₄^--	oxalate anion	c2o4
892	C₂H₃NO₃	Oxamic acid	oxamic
893	C₄H₄O₂	2(5H)-Furanone	furanone
894	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
895	C₂H₄N₂O₂	Oxalamide	oxalamide
896	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
897	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
898	C₄H₅NO	3-Methylisoxazole	isox3m
899	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
900	C₄H₅NS	4-Methylthiazole	c693958
901	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
902	C₅H₆O	2-methylfuran	furan2m
903	C₅H₆O	3-Methylfuran	furan3m
904	C₅H₆S	Thiophene, 2-methyl-	c554143
905	C₅H₆S	Thiophene, 3-methyl-	c616444
906	C₄H₆O₂	2,3-Butanedione	c431038
907	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
908	C₄H₆O₂	Crotonic Acid	crot
909	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
910	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
911	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
912	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
913	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
914	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
915	C₄H₆OS	Vinyl sulfoxide	c1115157
916	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
917	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
918	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
919	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
920	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
921	C₄H₇NO	2-Pyrrolidinone	c616455
922	C₄H₇NO	Methacrylamide	c79390
923	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
924	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
925	C₃H₇ONO	Propyl nitrite	prono
926	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
927	CH₃CH(NH₂)COOH	Alanine	alanine
928	CH₃NHCH₂COOH	Sarcosine	sarcosine
929	NH₂CH₂CH₂COOH	β–alanine	betaalanine
930	NH₂COOC₂H₅	Urethane	urethane
931	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
932	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
933	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
934	NH₂CONHC₂H₅	Urea, ethyl-	c625525
935	C₄H₈O₂	1,3-Dioxane	dioxan13
936	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
937	C₄H₈O₂	1,4-Dioxane	dioxan14
938	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
939	C₄H₈OS	s-Ethyl thioacetate	c625605
940	C₃H₈O₃	1,2,3-Propanetriol	glycerin
941	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
942	C₄H₉NO	Butanamide	c541355
943	C₄H₉NO	Propanamide, 2-methyl-	c563837
944	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
945	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
946	C₅H₁₀O	2-Pentanone	mpk
947	C₅H₁₀O	Cyclopentanol	c96413
948	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
949	C₅H₁₀O	Pentanal	pal
950	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
951	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
952	C₅H₁₀S	Cyclopentanethiol	c1679078
953	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
954	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
955	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
956	C₄H₁₀O₂	1,3-Butanediol	budiol13
957	C₄H₁₀O₂	1,4-Butanediol	budiol14
958	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
959	C₄H₁₀OS	Diethyl sulfoxide	c70291
960	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
961	C₄H₁₁NO	Diethylhydroxylamine	c3710847
962	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
963	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
964	C₅H₁₂O	1-Pentanol	pentanol1
965	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
966	C₅H₁₂O	2-Pentanol	peol2
967	C₅H₁₂O	3-Pentanol	pentan3ol
968	C₅H₁₂O	Butane, 1-methoxy-	meobu
969	C₅H₁₂O	Propane, 1-ethoxy-	proet
970	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
971	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
972	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
973	C₅H₁₂S	1-Pentanethiol	c110667
974	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
975	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
976	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
977	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
978	C₅H₁₂S	Ethyl propyl sulfide	c4110503
979	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
980	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
981	CF₃CN	Acetonitrile, trifluoro-	cf3cn
982	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
983	B₂F₄	Diboron tetrafluoride	b2f4
984	C₂F₄	Tetrafluoroethylene	c2f4
985	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
986	C₂FCl₃	fluorotrichloroethene	c2fcl3
987	C₂Cl₄	Tetrachloroethylene	c2cl4
988	AsF₅	Arsenic pentafluoride	asf5
989	PCl₅	Phosphorus pentachloride	pcl5
990	SbCl₅	Antimony pentachloride	sbcl5
991	BrF₅	bromine pentafluoride	brf5
992	ClF₅	chlorinepentafluoride	clf5
993	IF₅	pentafluoroiodine	if5
994	CF₃CHO	trifluoroacetaldehyde	cf3cho
995	CCl₃CHO	trichloroacetaldehyde	ccl3cho
996	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
997	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
998	CF₃COOH	trifluoroacetic acid	cf3cooh
999	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1000	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1001	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1002	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1003	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1004	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1005	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1006	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1007	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1008	C₆H₅CH₂	benzyl radical	benzyl
1009	C₆H₅CH₃	toluene	toluene
1010	C₇H₈	cycloheptatriene	cht
1011	C₇H₈	Norbornadiene	norbor
1012	C₇H₈	Quadricyclane	qucy
1013	C₇H₁₂	Norbornane	nor
1014	C₇H₁₆	2-methylhexane	2mhex
1015	C₇H₁₆	3-methylhexane	hex3m
1016	C₇H₁₆	heptane	heptane
1017	C₆H₇N	2-Methylpyridine	mp
1018	C₆H₅NH₂	aniline	aniline
1019	C₆H₁₃N	2-Methylpiperidine	pip2m
1020	C₆H₁₃N	cyclohexanamine	cham
1021	C₆H₁₅N	triethylamine	tea
1022	N₂O₅	Dinitrogen pentoxide	n2o5
1023	C₄H₂O₃	Maleic Anhydride	malan
1024	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1025	C₆H₅O	phenoxy radical	phenoxy
1026	C₅H₅NO	2(1H)-Pyridinone	c72762006
1027	C₅H₅NO	2(3H)-Pyridinone	c9000048
1028	C₅H₅NO	2(5H)-Pyridinone	c9000037
1029	C₅H₅NO	2-Pyridinol	c109104
1030	C₅H₅NO	3(2H)-Pyridinone	c9000004
1031	C₅H₅NO	3(4H)-Pyridinone	c9000026
1032	C₅H₅NO	3(6H)-Pyridinone	c9000015
1033	C₅H₅NO	3-Pyridinol	c109002
1034	C₅H₅NO	4(1H)-Pryidinone	c9000060
1035	C₅H₅NO	4(3H)-Pryidinone	c9000059
1036	C₅H₅NO	4-Pyridinol	c626642
1037	C₆H₅OH	phenol	phenol
1038	C₆H₆O	2,4-Cyclohexadienone	c24599573
1039	C₆H₅SH	Benzenethiol	phsh
1040	C₄H₈O₂S	Sulfolane	sulfolane
1041	CH(C₂H₃)₃	trivinyl methane	tvm
1042	C₆H₁₀O	cyclohexanone	chexo
1043	C₆H₁₂O	hexanal	c6h12o
1044	C₃H₇OC₃H₇	di-n-propyl ether	propr
1045	CF₃COF	trifluoroacetyl fluoride	cf3cof
1046	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1047	SeF₆	Selenium hexafluoride	sef6
1048	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1049	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1050	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1051	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1052	C₆H₅F	Fluorobenzene	bzf
1053	C₆H₅Cl	chlorobenzene	bzcl
1054	C₆H₅Br	bromobenzene	bzbr
1055	C₆H₅CCH	phenylacetylene	phac
1056	C₈H₆	benzocyclobutadiene	bcbd
1057	C₈H₆	Pentalene	pentalene
1058	C₆H₅CHCH₂	Styrene	styrene
1059	C₈H₈	cyclooctatetraene	cot
1060	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1061	CH₃C₆H₄CH₃	meta-xylene	mxylene
1062	CH₃C₆H₄CH₃	paraxylene	pxylene
1063	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1064	C₈H₁₆	cyclooctane	cyclooct
1065	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1066	C₈H₁₈	Octane	c8h18
1067	C₆H₅CN	phenyl cyanide	phcn
1068	C₆H₁₂N₂	Triethylenediamine	ted
1069	C₄O₄^--	squarate dianion	c4o4--
1070	S₈	Octasulfur	s8
1071	C₆H₄O₂	parabenzoquinone	pbq
1072	C₄H₄N₂O₂	Uracil	uracil
1073	C₆H₅OCH₃	Anisole	anisole
1074	C₆H₁₂O₂	Methyl pivalate	c598981
1075	C₆H₁₂O₂	Hexanoic acid	hexa
1076	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1077	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1078	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1079	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1080	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1081	C₂F₆	hexafluoroethane	c2f6
1082	IF₇	Iodine heptafluoride	if7
1083	C₆H₄F₂	metadifluorobenzene	mdfb
1084	C₆H₄F₂	orthodifluorobenzene	odfb
1085	C₉H₈	Indene	indene
1086	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1087	C₉H₂₀	Nonane	nonane
1088	C₅H₄N₄	purine	purine
1089	C₈H₇N	Indole	indole
1090	C₆H₅NO₂	Nitrobenzene	c6h5no2
1091	C₆H₅COOH	benzoic acid	benzo
1092	CH₃COC₆H₅	acetophenone	acph
1093	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1094	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1095	C₁₀H₁₆	adamantane	adamantane
1096	C₆N₄	Tetracyanoethylene	tcne
1097	C₆N₄^-	tetracyanoethylene anion	tcne-
1098	C₄F₆	perfluorobutadiene	c4f6
1099	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1100	C₃F₈	perfluoropropane	c3f8
1101	Fe(CO)₅	Iron pentacarbonyl	ipc
1102	Fe(C₅H₅)₂	ferrocene	fecp2
1103	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1104	C₁₂H₈	Acenaphthylene	acenaph
1105	C₁₂H₁₀	biphenyl	biphenyl
1106	C₁₂H₁₀	Heptalene	heptalene
1107	C₆H₁₂O₆	Inositol	inositol
1108	C₆F₆	hexafluorobenzene	c6f6
1109	C₁₄H₁₀	Anthracene	anth
1110	C₁₄H₁₀	Phenanthrene	phenanthrene
1111	C₁₂H₁₀N₂	azobenzene	azobenzene
1112	C₁₆H₁₀	Pyrene	pyrene
1113	C₁₈H₁₂	Tetracene	tetracene
1114	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