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

List of which calculations are completed at CCSD=FULL /6-31G*

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	K	Potassium atom	²S	K_h
17	LiH	Lithium Hydride	¹Σ	C_∞v
18	LiH⁺	lithium hydride cation	²Σ	C_∞v
19	NaH	sodium hydride	¹Σ	C_∞v
20	NaH⁺	sodium hydride cation	²Σ	C_∞v
21	KH	Potassium hydride	¹Σ	C_∞v
22	Be	Beryllium atom	¹S	K_h
23	Be⁺	Beryllium atom cation	²S	K_h
24	Mg	Magnesium atom	¹S	K_h
25	Mg⁺	Magnesium atom cation	²S	K_h
26	BeH	beryllium monohydride	²Σ	C_∞v
27	MgH	magnesium monohydride	²Σ	C_∞v
28	CaH	Calcium monohydride	²Σ	C_∞v
29	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
30	TiH	Titanium monohydride	⁴Φ	C_∞v
31	ZnH⁺	Zinc, protonated
32	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
33	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
34	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
35	BeH₂⁺	Beryllium dihydride cation
36	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
37	B	Boron atom	²P	K_h
38	B	Boron atom	⁴P	K_h
39	B⁺	Boron atom cation	¹S	K_h
40	Al	Aluminum atom	²P	K_h
41	Al^-	Aluminum atom anion	³P	K_h
42	Al⁺	Aluminum atom cation	¹S	K_h
43	Sc	Scandium atom	²D	K_h
44	Sc⁺	Scandium cation	³D	K_h
45	Ga	Gallium atom	²P
46	Ga^-	Gallium atom anion	³P	O_h
47	Ga⁺	Gallium atom cation	¹S
48	BH	Boron monohydride	¹Σ	C_∞v
49	BH	Boron monohydride	³Π	C_∞v
50	BH^-	boron monohydride anion	⁴Σ	C_∞v
51	ScH	Scandium monohydride	¹Σ	C_∞v
52	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
53	GaH	Gallium monohydride	¹Σ	C_∞v
54	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
55	BH₂^-	boron dihydride anion	³B₁	C_2v
56	BH₂^-	boron dihydride anion	¹A₁	C_2v
57	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
58	BH₃	boron trihydride	¹A₁^'	D_3h
59	BH₃⁺	boron trihydride cation	²B₂	C_2v
60	BH₃⁺	boron trihydride cation		C_2v
61	AlH₃	aluminum trihydride	¹A₁^'	D_3h
62	AlH₃^-	aluminum trihydride anion		C_3v
63	ScH₃	Scandium trihydride	¹A₁^'	D_3h
64	ScH₃	Scandium trihydride	¹A₁	C_3v
65	GaH₃	Gallium trihydride	¹A₁^'	D_3h
66	BH₄	borohydride	²B₂	C_2v
67	BH₄^-	borohydride anion	¹A₁	T_d
68	C	Carbon atom	³P₀	K_h
69	C	Carbon atom	³P₁	K_h
70	C^-	Carbon atom anion	²D	K_h
71	C⁺	Carbon atom cation	²P	K_h
72	Si	Silicon atom	³P	K_h
73	Si	Silicon atom	¹S	K_h
74	Si^-	Silicon atom anion	⁴S	K_h
75	Si⁺	Silicon atom cation	²P	K_h
76	Ge	Germanium atom	³P	K_h
77	Ge^-	Germanium anion	⁴S	K_h
78	Ge⁺	Germanium cation	²P	K_h
79	CH	Methylidyne	²Π_1/2	C_∞v
80	SiH	Silylidyne	²Π	C_∞v
81	SiH^-	silicon monohydride anion	³Σ	C_∞v
82	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
83	GeH	germylidene	²Π	C_∞v
84	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
85	CH₂	Methylene	³B₁	C_2v
86	CH₂	Methylene	³Σ_G	D_∞h
87	CH₂	Methylene	¹A₁	C_2v
88	CH₂^-	methylene anion	²B₁	C_2v
89	CH₂⁺	methylene cation	²A₁	C_2v
90	CH₂⁺	methylene cation	²Π	D_∞h
91	SiH₂	silicon dihydride	¹A₁	C_2v
92	SiH₂	silicon dihydride	³B₁	C_2v
93	GeH₂	germylene	¹A₁	C_2v
94	GeH₂^-	germylene anion	²B₁	C_2v
95	CH₃	Methyl radical	²A₁	D_3h
96	CH₃^-	methyl anion	¹A₁	C_3v
97	CH₃⁺	methyl cation	¹A₁^'	D_3h
98	SiH₃	Silyl radical	²A₁	C_3v
99	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
100	GeH₃	Germyl radical	²A₁	C_3v
101	GeH₃⁺	germyl cation	¹A₁^'	D_3h
102	CD₄	methane-d4	¹A₁	T_d
103	CH₂D₂	methane-d2	¹A₁	C_2v
104	CH₃D	methane-d	¹A₁	C_3v
105	CH₄	Methane	¹A₁	T_d
106	CH₄^-	Methane anion	²A₁	T_d
107	CH₄^-	Methane anion	²A₁	C_3v
108	CHD₃	methane-d3	¹A₁	C_3v
109	SiH₂D₂	silane-d2
110	SiH₄	Silane	¹A₁	T_d
111	GeH₄	Germane	¹A₁	T_d
112	SiH₅⁺	Silane, protonated
113	N	Nitrogen atom	⁴S	K_h
114	N	Nitrogen atom	²D	K_h
115	N⁺	Nitrogen atom cation	³P	K_h
116	P	Phosphorus atom	⁴S	K_h
117	V	Vanadium atom	⁴F	K_h
118	V⁺	Vanadium atom cation	⁵D	K_h
119	As	Arsenic atomic	⁴S	K_h
120	As^-	Arsenic anion	³P	K_h
121	As⁺	Arsenic cation	³P	K_h
122	PH	phosphorus monohydride	³Σ^-	C_∞v
123	AsH	Arsenic monohydride	³Σ	C_∞v
124	AsH	Arsenic monohydride	¹Σ	C_∞v
125	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
126	NH₂	Amino radical	²B₁	C_2v
127	NH₂⁺	Amino cation	³B₁	C_2v
128	NH₂⁺	Amino cation	¹A₁	C_2v
129	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
130	NH₃	Ammonia	¹A₁	C_3v
131	NH₃^-	Ammonia anion	²A₁	C_3v
132	NH₃⁺	ammonia cation	²A₂^"	D_3h
133	PH₃	Phosphine	¹A₁	C_3v
134	PH₃⁺	Phosphine cation	²A₁	C_3v
135	AsH₃	Arsine	¹A₁	C_3v
136	AsH₃⁺	Arsine cation	²A₁	C_3v
137	AsH₄⁺	Arsonium
138	NH₄	Ammonium radical
139	NH₄⁺	ammonium cation	¹A₁	T_d
140	PH₄	Phosphoranyl radical
141	PH₄⁺	phosphonium cation
142	O	Oxygen atom	³S	K_h
143	O⁺	Oxygen atom cation	⁴S	K_h
144	S	Sulfur atom	³P	K_h
145	S	Sulfur atom
146	S^-	Sulfur atom anion	²P	K_h
147	S⁺	Sulfur atom cation	⁴S	K_h
148	Se	Selenium atom	³P	K_h
149	Se^-	Selenium atom anion	²P	K_h
150	Se⁺	Selenium atom cation	⁴S	K_h
151	OH	Hydroxyl radical	²Π	C_∞v
152	OH^-	hydroxide anion	¹Σ	C_∞v
153	OH⁺	hydoxyl cation	³Σ	C_∞v
154	DS	Mercapto-d	²Π	C_∞v
155	HS	Mercapto radical	²Π	C_∞v
156	HS^-	mercapto anion	¹Σ	C_∞v
157	HS⁺	sulfur monohydride cation	³Σ	C_∞v
158	CrH	Chromium hydride	⁶Σ	C_∞v
159	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
160	HSe	Selenium monohydride	²Π	C_∞v
161	HSe^-	selenium monohydride anion	¹Σ	C_∞v
162	HSe⁺	selenium monohydride cation	³Σ	C_∞v
163	D₂O	Deuterium oxide	¹A₁	C_2v
164	H₂O	Water	¹A₁	C_2v
165	H₂O^-	water anion	²A₁	C_2v
166	H₂O^-	water anion	²A^'	C_s
167	H₂O⁺	water cation	²B₁	C_2v
168	HDO	Water-d1	¹A₁	C_2v
169	H₂S	Hydrogen sulfide	¹A₁	C_2v
170	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
171	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
172	H₂Se	Hydrogen selenide	¹A₁	C_2v
173	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
174	H₃O⁺	hydronium cation	¹A₁	C_3v
175	H₃S⁺	Sulfonium cation	¹A₁	C_3v
176	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
177	F	Fluorine atom	²P	K_h
178	F^-	Fluorine atom anion	¹S	K_h
179	F⁺	Fluorine atom cation	³S	K_h
180	F⁺	Fluorine atom cation	¹D	K_h
181	Cl	Chlorine atom	²P	K_h
182	Cl^-	Chlorine atom anion	¹S	K_h
183	Cl⁺	Chlorine atom cation	³P	K_h
184	Cl⁺	Chlorine atom cation	¹D	K_h
185	Br	Bromine atom	²P	K_h
186	Br^-	Bromine atom anion	¹S	K_h
187	Br⁺	Bromine atom cation	³P	K_h
188	HF	Hydrogen fluoride	¹Σ	C_∞v
189	HF^-	hydrogen fluoride anion	²Σ	C_∞v
190	HF⁺	hydrogen fluoride cation	²Π	C_∞v
191	HCl	Hydrogen chloride	¹Σ	C_∞v
192	HCl^-	hydrogen chloride anion	²Σ	C_∞v
193	HCl⁺	hydrogen chloride cation	²Π	C_∞v
194	HBr	hydrogen bromide	¹Σ	C_∞v
195	HBr^-	hydrogen bromide anion	²Σ	C_∞v
196	HBr⁺	hydrogen bromide cation	²Π	C_∞v
197	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
198	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
199	Ne	Neon atom	¹S	K_h
200	Ne	Neon atom
201	Ne⁺	Neon atom cation	²P	K_h
202	Ar	Argon atom	¹S	K_h
203	Kr	Krypton atom	¹S	K_h
204	Kr⁺	Krypton cation	²P	K_h
205	HeLi⁺	Helium Lithium cation
206	NeH	neon hydrogen	²Σ	C_∞v
207	ArH⁺	Argon hydride cation	¹Σ	C_∞v
208	KrH⁺	Protonated Krypton	¹Σ	C_∞v
209	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
210	Li₂	Lithium diatomic	¹Σ_g	D_∞v
211	NaLi	lithium sodium	¹Σ	C_∞v
212	Na₂	Sodium diatomic	¹Σ_g	D_∞h
213	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
214	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
215	NaK⁺	Sodium Potassium diatomic cation		1
216	K₂	Potassium diatomic	¹Σ_g	D_∞h
217	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
218	Be₂	Beryllium diatomic	³Π_g	D_∞h
219	BeMg	Beryllium Magnesium	¹Σ	C_∞v
220	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
221	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
222	LiB	Lithium boride	³Π	C_∞v
223	LiAl	Lithium Aluminum
224	NaAl	Sodium aluminum	¹Σ	C_∞v
225	BeB	Beryllium monoboride	²Π	C_∞v
226	B₂	Boron diatomic	³Σ_g	D_∞h
227	B₂	Boron diatomic	¹Σ_g	D_∞h
228	B₂	Boron diatomic	⁵Σ_u	D_∞h
229	B₂⁺	Boron diatomic cation	²Π	D_∞h
230	BAl	Boron Aluminum	³Σ	C_∞v
231	BGa	Boron Gallium	³Σ	C_∞v
232	AlGa	Aluminum Gallium	³Σ	C_∞v
233	AlGa	Aluminum Gallium	¹Σ	C_∞v
234	Ga₂	Gallium diatomic	³P_iu
235	HBBH	Diborane(2)	³Σ_G	D_∞h
236	LiBH₄	Lithium borohydride	¹A₁	C_3v
237	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
238	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
239	B₂H₆	Diborane	¹A_g	D_2h
240	B₂H₆⁺	Diborane cation
241	Al₂H₆	dialane	¹A_G	D_2h
242	Ga₂H₆	digallane	¹A_G	D_2h
243	LiC	Lithium Carbide	⁴Σ	C_∞v
244	BeC	Beryllium Carbide	³Σ^-	C_∞v
245	BeC	Beryllium Carbide
246	CaC	Calcium monocarbide
247	BC	boron monocarbide	⁴Σ^-	C_∞v
248	AlC	Aluminum carbide	⁴Σ	C_∞v
249	BSi	Boron silicide	⁴Σ	C_∞v
250	BSi	Boron silicide	²Σ	C_∞v
251	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
252	C₂	Carbon diatomic	³Σ_g^-
253	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
254	SiC	silicon monocarbide	³Σ	C_∞v
255	SiC	silicon monocarbide	¹Σ	C_∞v
256	GeC	Germanium monocarbide	¹Σ	C_∞v
257	SiGe	Silicon Germanium
258	C₂H	Ethynyl radical	²Σ	C_∞v
259	C₂H^-	Ethynyl anion	¹Σ	C_∞v
260	C₂H₂	Acetylene	¹Σ_g	D_∞h
261	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
262	C₂H₂⁺	acetylene cation
263	CCH₂	vinylidene	³B₂	C_2v
264	H₂CC^-	vinylidene anion
265	HCCH^-	acetylene anion
266	HCCH^-	acetylene anion
267	Si₂H₂	disilyne
268	Si₂H₂	disilyne
269	Si₂H₂	disilyne
270	Si₂H₂	disilyne
271	CH₃Li	methyl lithium	¹A₁	C_3v
272	CH₂BH	methyleneborane	¹A₁	C_2v
273	C₂H₃	vinyl	²A^'	C_s
274	C₂H₃^-	vinyl anion	¹A^'	C_s
275	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
276	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
277	C₂H₄	Ethylene	¹A_g	D_2h
278	C₂H₄^-	Ethylene anion	²A_g	C_2h
279	C₂H₄⁺	Ethylene cation	²B₃	D₂
280	Si₂H₄	Disilene
281	Si₂H₄	Disilene
282	Si₂H₄	Disilene
283	CH₃BH₂	methylborane	¹A^'	C_s
284	C₂H₅	Ethyl radical	²A^'	C_s
285	C₂H₅^-	Ethyl anion	¹A^'	C_s
286	C₂H₆	Ethane	¹A_1g	D_3d
287	C₂H₆	Ethane	¹A₁^'	D_3h
288	Si₂H₆	disilane	¹E_u	D_3d
289	GeH₃CH₃	methyl germane	¹A₁	C_3v
290	LiN	Lithium Nitride	³Σ	C_∞v
291	LiP	Lithium monophosphide
292	LiP	Lithium monophosphide
293	BeN	Beryllium mononitride	⁴Σ	C_∞v
294	BeN	Beryllium mononitride	²Π	C_∞v
295	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
296	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
297	MgN	Magnesium Nitride
298	MgN	Magnesium Nitride
299	BP	Boron monophosphide	³Π	C_∞v
300	BP	Boron monophosphide	¹Σ	C_∞v
301	AlP	Aluminum monophosphide	³Σ	C_∞v
302	AlP	Aluminum monophosphide	³Π	C_∞v
303	AlP	Aluminum monophosphide	¹Σ	C_∞v
304	GaN	Gallium mononitride	³Π	C_∞v
305	GaN	Gallium mononitride	¹Σ	C_∞v
306	GaP	Gallium monophosphide	³Σ	C_∞v
307	GaP	Gallium monophosphide	¹Σ	C_∞v
308	GaAs	Gallium arsenide	³Π
309	GaAs	Gallium arsenide	¹Σ
310	BN	boron nitride	³Π	C_∞v
311	BN	boron nitride	¹Σ	C_∞v
312	CN	Cyano radical	²Σ	C_∞v
313	CN^-	cyanide anion	¹Σ	C_∞v
314	SiP	Silicon monophosphide	²Π	C_∞v
315	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
316	N₂	Nitrogen diatomic
317	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
318	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
319	PN	Phosphorus mononitride	¹Σ	C_∞v
320	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
321	AsN	Arsenic mononitride	¹Σ	C_∞v
322	AsP	Arsenic monophosphide	¹Σ	C_∞v
323	HNC	hydrogen isocyanide	¹Σ	C_∞v
324	HCN	Hydrogen cyanide	¹Σ	C_∞v
325	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
326	HNC⁺	hydrogen isocyanide cation
327	HCP	Phosphaethyne	¹Σ	C_∞v
328	HCP⁺	Phosphaethyne cation
329	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
330	LiNH₂	lithium amide
331	HBNH	Boranimine	¹Σ	C_∞v
332	CNH₂	Aminomethylidyne radical	²B₂	C_2v
333	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
334	HCNH	methyleneazane	²A^'	CS cis
335	HCNH	methyleneazane	²A^'	CS trans
336	H₂NN	Isodiazene
337	N₂H₂	(E)-diazene	¹A_g	C_2h
338	N₂H₂	(Z)-Diazene	¹A₁	C_2v
339	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
340	CH₂NH	Methanimine	¹A^'	C_s
341	CH₂NH⁺	Methanimine cation
342	CHNH₂	aminomethylene
343	CHNH₂⁺	Aminocarbene cation
344	CH₂PH	Phosphaethene	¹A^'	C_s
345	BH₂NH₂	Boranamine
346	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
347	N₂H₄	Hydrazine	¹A	C₂
348	N₂H₄⁺	hydrazine cation	²A_G	C_2h
349	CH₃NH₂	methyl amine	¹A^'	C_s
350	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
351	CH₃PH₂	Methyl phosphine	¹A^'	C_s
352	SiH₃NH₂	Silane, amino
353	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
354	BH₃PH₃	borane phosphine
355	BH₃NH₃	borane ammonia	¹A₁	C_3v
356	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
357	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
358	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
359	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
360	N₂H₇⁺	ammonia ammonium dimer
361	LiO	lithium oxide	²Σ	C_∞v
362	LiS	Lithium monosulfide	²Π	C_∞v
363	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
364	NaO	sodium monoxide	²Σ	C_∞v
365	KO	Potassium monoxide	²Σ	C_∞v
366	KO⁺	Potassium monoxide cation	³Σ	C_∞v
367	NaS	Sodium sulfide	²Π	C_∞v
368	LiSe	Lithium monoselenide
369	BeO	beryllium oxide	¹Σ	C_∞v
370	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
371	CaO	Calcium monoxide	¹Σ	C_∞v
372	CaS	Calcium sulfide	¹Σ	C_∞v
373	BO	boron monoxide	²Σ	C_∞v
374	ScO	Scandium monoxide	²Σ	C_∞v
375	GaO	Gallium monoxide	²Σ	C_∞v
376	GaS	Gallium monosulfide
377	CO	Carbon monoxide	¹Σ	C_∞v
378	CO^-	carbon monoxide anion	²Π	C_∞v
379	CO⁺	carbon monoxide cation	²Σ	C_∞v
380	CS	carbon monosulfide	¹Σ	C_∞v
381	SiO	Silicon monoxide	¹Σ	C_∞v
382	SiS	silicon monosulfide	¹Σ	C_∞v
383	TiO	Titanium monoxide	³Δ	C_∞v
384	CSe	Carbon monoselenide	¹Σ	C_∞v
385	GeO	Germanium monoxide	¹Σ	C_∞v
386	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
387	GeS	Germanium monosulfide	¹Σ	C_∞v
388	SiSe	Silicon Monoselenide
389	SiSe⁺	Silicon Monoselenide cation
390	GeSe	Germanium monoselenide
391	NO	Nitric oxide	²Π	C_∞v
392	NO^-	nitric oxide anion	³Σ	C_∞v
393	NO⁺	nitric oxide cation	¹Σ	C_∞v
394	NS	Mononitrogen monosulfide	²Π	C_∞v
395	NS^-	nitrogen sulfide anion	³Σ	C_∞v
396	PO	Phosphorus monoxide	²Π	C_∞v
397	PS	phosphorus sulfide	²Σ	C_∞v
398	VO	Vanadium monoxide	⁴Σ^-
399	NSe	Nitrogen monoselenide	²Π	C_∞v
400	AsS	Arsenic monosulfide	²Π	C_∞v
401	PSe	Phosphorus monoselenide	²Π	C_∞v
402	AsSe	Arsenic monoselenide	²Π	C_∞v
403	O₂	Oxygen diatomic	³Σ_g	D_∞h
404	O₂	Oxygen diatomic	¹Δ_g	D_∞h
405	O₂^-	oxygen diatomic anion	²Π	D_∞h
406	O₂^--	dioxygen dianion
407	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
408	SO	Sulfur monoxide	³Σ	C_∞v
409	SO	Sulfur monoxide	¹Σ	C_∞v
410	SO⁺	sulfur monoxide cation	²Π	C_∞v
411	S₂	Sulfur diatomic	³Σ_g	D_∞h
412	SeO	Selenium monoxide	³Σ	C_∞v
413	Se₂	Selenium diatomic	³Σ_g	D_∞h
414	LiOH	lithium hydroxide	¹Σ	C_∞v
415	KOH	Potassium hydroxide	¹Σ	C_∞v
416	BeOH	beryllium monohydroxide	²A^'	C_s
417	BeOH	beryllium monohydroxide	²Σ	C_∞v
418	HBO	Boron hydride oxide	¹Σ	C_∞v
419	HBS	hydrogen boron sulfide	¹Σ	C_∞v
420	COH	Hydroxymethylidyne
421	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
422	HCO	Formyl radical	²A^'	C_s
423	HCO^-	formyl anion	¹A^'	C_s
424	HCO⁺	Formyl cation	¹Σ	C_∞v
425	HNO	Nitrosyl hydride	¹A^'	C_s
426	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
427	NOH	Hydroxyimidogen	³A^"	C_s
428	NOH⁺	O-protonated nitric oxide	²A^'	C_s
429	HO₂	Hydroperoxy radical	²A^"	C_s
430	HO₂⁺	Hydroperoxy cation	³A^"	C_s
431	HSO⁺	Sulfur Monoxide, S-protonated
432	SOH	Sulfur Hydroxide
433	SOH⁺	Sulfur Monoxide, protonated
434	HS₂	Thiosulfeno radical	²A^"	C_s
435	H₂CO	Formaldehyde	¹A₁	C_2v
436	H₂CO^-	formaldehyde anion	²A^'	C_s
437	H₂CO^-	formaldehyde anion
438	H₂CO⁺	formaldehyde cation	²B₂	C_2v
439	HOCH	hydroxycarbene	¹A^'	CS trans
440	HOCH	hydroxycarbene	¹A^'	CS cis
441	H₂CS	Thioformaldehyde	¹A₁	C_2v
442	H₂CS^-	thioformaldehyde anion
443	H₂CS^-	thioformaldehyde anion
444	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
445	H₂CSe	Selenoformaldehyde
446	H₂NO	nitroxide	²B₁	C_2v
447	H₂NO	nitroxide	²A^'	C_s
448	H₂O₂	Hydrogen peroxide	¹A	C₂
449	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
450	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
451	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
452	H₂OO	water oxide
453	HOSH	hydrogen thioperoxide
454	H₂S₂	Disulfane	¹A	C₂
455	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
456	H₂Se₂	hydrogen diselenide
457	CH₂OH	Hydroxymethyl radical	²A	C₁
458	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
459	CH₃O^-	methoxy anion	¹A₁	C_3v
460	CH₃O⁺	Methoxy cation	³A₁	C_3v
461	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
462	NH₂OH	hydroxylamine	¹A^'	C_s
463	NH₂OH⁺	Hydroxylamine cation
464	NH₃O	Ammonia Oxide	¹A₁	C_3v
465	H₂POH	Phosphinous acid	¹A₁^'	CS trans
466	H₂POH	Phosphinous acid	¹A₁^'	CS cis
467	H₃PO	Phosphine oxide	¹A₁	C_3v
468	NH₂SH	Thiohydroxylamine
469	NH₂SH	Thiohydroxylamine
470	NH₃S	sulfidoazane
471	CH₃OH	Methyl alcohol	¹A^'	C_s
472	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
473	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
474	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
475	CH₃OH⁺	Methyl alcohol cation	²A	C₁
476	CH₃SH	Methanethiol	¹A^'	C_s
477	CH₃SH⁺	Methanethiol cation	²A^"	C_s
478	SiH₃OH	silanol
479	CH₃SeH	Methane selenol	¹A^'	C_s
480	NH₂OH₂⁺	protonated hydroxylamine
481	NH₃OH⁺	N-protonated hydroxylamine
482	H₂OH₂O	water dimer	¹A^'	C_s
483	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
484	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
485	LiF	lithium fluoride	¹Σ	C_∞v
486	LiCl	lithium chloride	¹Σ	C_∞v
487	NaF	sodium fluoride	¹Σ	C_∞v
488	NaF⁺	sodium fluoride cation	²Σ	C_∞v
489	NaCl	Sodium Chloride	¹Σ	C_∞v
490	LiBr	Lithium Bromide	¹Σ	C_∞v
491	LiF⁺	lithium fluoride cation	²Π	C_∞v
492	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
493	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
494	TiCl	Titanium Monochloride	⁴Σ	C_∞v
495	ZnF	Zinc monofluoride	²Σ	C_∞v
496	CaBr	Calcium monobromide
497	BF	Boron monofluoride	¹Σ	C_∞v
498	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
499	AlCl	Aluminum monochloride	¹Σ	C_∞v
500	ScF	Scandium monofluoride	¹Σ	C_∞v
501	BBr	Boron monobromide	¹Σ	C_∞v
502	GaF	Gallium monofluoride	¹Σ	C_∞v
503	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
504	AlBr	Aluminum monobromide
505	GaCl	Gallium monochloride	¹Σ_G	C_∞v
506	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
507	GaBr	Gallium monobromide
508	CF	Fluoromethylidyne	²Π	C_∞v
509	SiF	silicon monofluoride	²Π	C_∞v
510	SiF^-	silicon monofluoride anion	³Σ	C_∞v
511	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
512	SiCl	Clorosilylidyne	²Π	C_∞v
513	CBr	Carbon monobromide	²Π	C_∞v
514	GeF	Germanium monofluoride	²Π	C_∞v
515	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
516	GeCl	Germanium monochloride	²Π	C_∞v
517	GeCl⁺	Germanium monochloride cation
518	SiBr	Silicon monobromide	²Π	C_∞v
519	SiBr⁺	Silicon monobromide cation
520	NCl	nitrogen monochloride	³Σ	C_∞v
521	AsF	Arsenic monofluoride	³Σ	C_∞v
522	AsF	Arsenic monofluoride	¹Δ	C_∞v
523	NBr	nitrogen monobromide	³Σ^-	C_∞v
524	AsCl	Arsenic monochloride	³Σ	C_∞v
525	PBr	Phosphorus monobromide
526	FO	Oxygen monofluoride	²Π	C_∞v
527	ClO	Monochlorine monoxide	²Π	C_∞v
528	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
529	SF	Monosulfur monofluoride	²Π	C_∞v
530	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
531	SCl	sulfur monochloride	²Π	C_∞v
532	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
533	BrO	Bromine monoxide	²Π	C_∞v
534	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
535	BrO⁺	Bromine monoxide cation
536	SeF	Selenium monofluoride	²Π	C_∞v
537	SBr	Sulfur monobromide radical
538	SBr⁺	Sulfur monobromide cation
539	SeCl	Selenium monochloride	²Π	C_∞v
540	SeBr	Selenium monobromide
541	BrCl	Bromine monochloride	¹Σ	C_∞v
542	F₂	Fluorine diatomic	¹Σ_g	D_∞h
543	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
544	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
545	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
546	ClF⁺	clorine monofluoride cation	²Π	C_∞v
547	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
548	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
549	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
550	BrF	Bromine monofluoride	¹Σ	C_∞v
551	Br₂	Bromine diatomic	¹Σ_g	D_∞h
552	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
553	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
554	HCF	Fluoromethylene	¹A^'	C_s
555	HCF	Fluoromethylene	³A^"	C_s
556	HCCl	Chloromethylene	¹A^'	C_s
557	HCCl	Chloromethylene	³A^"	C_s
558	HSiF	fluorosilylene
559	HSiCl	Chlorosilylene
560	HSiBr	monobromosilylene
561	HOF	Hypofluorous acid	¹A^'	C_s
562	HOCl	hypochlorous acid	¹A^'	C_s
563	HOCl⁺	hypochlorous acid cation
564	HOBr	Hypobromous acid	¹A^'	C_s
565	HOBr⁺	Hypobromous acid cation	²A^"	C_s
566	F₂H⁺	Fluorine, protonated	¹A^'	C_s
567	ClFH⁺	Chlorine fluoride, F-protonated
568	FClH⁺	Chlorine fluoride, Cl-protonated
569	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
570	CH₂Br	bromomethyl radical
571	CH₂F	fluoromethyl radical	²A	C_s
572	CH₂F⁺	fluoromethyl cation
573	CH₂Cl⁺	chloromethyl cation
574	CH₂Cl	chloromethyl radical	²A^'	C_s
575	CH₂Cl	chloromethyl radical	²B₁	C_2v
576	NH₂Cl	chloramine	¹A^'	C_s
577	CH₃F⁺	methyl fluoride cation
578	CD₃F	methylfluoride-d3	¹A₁	C_3v
579	CH₃F	Methyl fluoride	¹A₁	C_3v
580	CD₃Cl	methyl chloride d3	¹A₁	C_3v
581	CH₃Cl	Methyl chloride	¹A₁	C_3v
582	SiH₃F	monofluorosilane	¹A₁	C_3v
583	SiH₃Cl	chlorosilane	¹A₁	C₁
584	CH₃Br	methyl bromide	¹A₁	C_3v
585	GeH₃F	monofluorogermane
586	GeH₃Cl	monochlorogermane
587	SiH₃Br	bromosilane	¹A₁	C_3v
588	NH₃Cl⁺	protonated monochloroammonia
589	CH₃ClH⁺	methyl chloride, protonated
590	NH₄Cl	Ammonium chloride
591	LiNe⁺	Lithium Neon cation
592	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
593	Ar₂	Argon diatomic	¹S_g	D_∞h
594	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
595	Li₃	Lithium trimer	²B₂	C_2v
596	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
597	C₃	carbon trimer	¹Σ_g	D_∞h
598	C₃	carbon trimer	¹A₁	C_2v
599	SiC₂	Silicon dicarbide
600	C₃H₃	cyclopropenyl radical	²A^'	C_s
601	C₃H₄	cyclopropene	¹A₁	C_2v
602	CH₂CCH₂	allene	¹A₁	D_2d
603	CH₃CCH	propyne	¹A^'	C_3v
604	C₃H₅	Allyl radical	²A₂	C_2v
605	C₃H₅	Allyl radical	²A^"	C_s
606	CH₃CHCH	1-propenyl radical	²A^'	C_s
607	C₃H₆	Cyclopropane	¹A₁^'	D_3h
608	CH₂CHCH₃	Propene	¹A^'	C_s
609	C₃H₇	n-Propyl radical	²A^"	C₁
610	CH₃CHCH₃	Isopropyl radical	²A	C₂
611	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
612	C₃H₈	Propane	¹A₁	C_2v
613	SiH₂(CH₃)₂	dimethylsilane	¹A₁	C_2v
614	Si₃H₈	trisilane
615	LiCN	lithium cyanide	¹Σ	C*V LiCN
616	LiCN	lithium cyanide	¹A^'	C_s
617	LiCN	lithium cyanide	¹Σ	C*V LiNC
618	NaCN	Sodium Cyanide	¹Σ	C_∞v
619	NaCN	Sodium Cyanide	¹A	C_s
620	NaCN	Sodium Cyanide	¹Σ	C_∞v
621	KCN	Potassium cyanide	¹Σ	C_∞v
622	KCN	Potassium cyanide	¹Σ	C_∞v
623	KCN	Potassium cyanide	¹A^'	C_s
624	ZnCN	Zinc monocyanide	²Σ	C_∞v
625	ZnNC	Zinc isocyanide	²Σ	C_∞v
626	AlCN	Aluminum monocyanide
627	AlNC	Aluminum isocyanide
628	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
629	CNN	Diazocarbene
630	NCN	Cyanoimidogen	³Σ_g	D_∞h
631	NCN	Cyanoimidogen	¹Σ_g	D_∞h
632	N₃	azide radical	²Π_g	D_∞h
633	N₃⁺	azide cation	³Σ_g	D_∞h
634	N₃⁺	azide cation	³Σ	C_∞v
635	HCCN	cyanomethylene	³A^"	C_s
636	HCCN	cyanomethylene	³Σ	C_∞v
637	HCCN	cyanomethylene
638	HN₃	hydrogen azide	¹A^'	C_s
639	HN₃⁺	Hydrazoic acid cation
640	HNCNH	diiminomethane	¹A	C₂
641	NH₂CN	cyanamide	¹A₁	C_2v
642	HNNNH⁺	1,2-Triazadienium
643	NH₂NN⁺	hydrazoic acid, protonated
644	CH₃CN	Acetonitrile	¹A₁	C_3v
645	CH₃CN^-	acetonitrile anion	²E	C_3v
646	CH₃CN^-	acetonitrile anion	²A^'	C_s
647	CH₃NC	methyl isocyanide	¹A₁	C_3v
648	CHNCH₂	2H-Azirine
649	CHNHCH	1H-Azirine
650	H₂CCNH	Ethenimine
651	H₂CNCH	methyleneaminomethylene
652	HCCNH₂	Ethynamine
653	HCNCH₂⁺	2H-Azirine cation
654	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
655	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
656	NH₂CNH⁺	cyanamide, cn protonated
657	NH₃CN⁺	cyanamide, amine protonated
658	CH₂CHNH	vinylazine	²A^"	CS cis
659	CH₂CHNH	vinylazine	²A^"	CS trans
660	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
661	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
662	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
663	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
664	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
665	CH₃CH₂NH₂	Ethylamine
666	CH₃NHCH₃	Dimethylamine	¹A^'	C_s
667	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
668	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
669	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
670	Li₂O	dilithium oxide	¹Σ_g	D_∞h
671	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
672	Li₂S	dilithium sulfide	¹A₁	C_2v
673	Na₂O	disodium monoxide	¹Σ_g	Linear
674	Na₂O	disodium monoxide	¹A₁	C_2v
675	Na₂S	Sodium sulfide
676	Na₂S	Sodium sulfide
677	LiO₂	Lithium dioxide
678	NaO₂	Sodium superoxide
679	CCO	Dicarbon monoxide	³Σ	C_∞v
680	CCO	Dicarbon monoxide	¹Π	C_∞v
681	NCO	isocyanato radical	²Π	C_∞v
682	N₂O	Nitrous oxide	¹Σ	C_∞v
683	N₂O^-	Nitrous oxide anion	²A^'	C_s
684	NNS	Nitrogen sulfide	¹Σ	C_∞v
685	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
686	CO₂	Carbon dioxide	¹Σ_g	D_∞h
687	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
688	OCS	Carbonyl sulfide	¹Σ	C_∞v
689	CS₂	Carbon disulfide	¹Σ_g	D_∞h
690	CS₂^-	Carbon disulfide anion	²A₁	C_2v
691	TiO₂	Titanium dioxide	¹A₁	C_2v
692	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
693	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
694	OCSe	Carbonyl selenide	¹Σ	C_∞v
695	SCSe	Carbon sulfide selenide
696	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
697	CSe₂	Carbon diselenide	¹A₁	D_∞h
698	NO₂	Nitrogen dioxide	²A₁	C_2v
699	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
700	NSO	sulfinyl amidogen
701	SNO	Nitrogen oxide sulfide
702	AsO₂	Aresenic dioxide	²A₁	C_2v
703	O₃	Ozone	¹A₁	C_s
704	SO₂	Sulfur dioxide	¹A₁	C_2v
705	SSO	Disulfur monoxide	¹A^'	C_s
706	S₃	Sulfur trimer	¹A₁	C_2v
707	S₃	Sulfur trimer
708	S₃⁺	Sulfur trimer cation	²B₂	C_2v
709	SeO₂	Selenium dioxide	¹A₁	C_2v
710	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
711	HCCO	ketenyl radical	²Π	C_∞v
712	HCCO	ketenyl radical	²A^"	C_s
713	HCNO	fulminic acid	¹Σ	C_∞v
714	HCNO	fulminic acid	¹A^'	C_s
715	HNCS	Isothiocyanic acid
716	HNCS	Isothiocyanic acid
717	HSCN	thiocyanic acid	¹A^'	C_s
718	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
719	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
720	HCOO	formate neutral radical	²A^'	C_s
721	HOCO	Hydrocarboxyl radical	¹A^'	cis
722	HOCO	Hydrocarboxyl radical	¹A^'	trans
723	O₃H⁺	protonated ozone	¹A^'	C_s
724	O₃H⁺	protonated ozone
725	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
726	C₂H₂O	Oxirene	¹A₁	C_2v
727	CH₂CO	Ketene	¹A₁	C_2v
728	CH₂CS	Thioketene
729	Be(OH)₂	Beryllium hydroxide
730	Be(OH)₂	Beryllium hydroxide
731	Be(OH)₂	Beryllium hydroxide
732	NH₂NO	Nitrosamide	¹A	C₁
733	CH₂O₂	Dioxirane	¹A₁	C_2v
734	H₂COO	Dioxymethyl radical	²A^'	C_s
735	H₂COO⁺	dioxymethyl cation	²A^'	C_s
736	HCOOH	Formic acid	¹A^'	C_s
737	HCOOH	Formic acid
738	H₂O₃	Hydrogen trioxide	¹A	C₂
739	HSSSH	trisulfane	¹A^'	C_s
740	NaOCH₃	Sodium methoxide	¹A₁	C_3v
741	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
742	BH₃CO	Borane carbonyl	¹A₁	C_3v
743	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
744	CH₂COH⁺	ketene, protonated
745	CH₂NOH	formaldoxime	¹A^'	C_s
746	CH₃NO	nitrosomethane	¹A^'	C_s
747	CHONH₂	formamide	¹A^'	Planar
748	CHONH₂	formamide	¹A	Non-Planar
749	CNOH₃	1,2-oxaziridine	¹A	C₁
750	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
751	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
752	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
753	CHSNH₂	thioformamide
754	NHCHSH	Methanimidothioic acid
755	C₂H₄O	Ethylene oxide	¹A₁	C_2v
756	C₂H₄O⁺	ethylene oxide cation
757	CH₃CHO	Acetaldehyde	¹A^'	C_s
758	CH₃CHO⁺	acetaldehyde cation
759	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
760	C₂H₄S	Thiirane	¹A₁	C_2v
761	CH₂CHSH	Ethenethiol
762	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
763	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
764	NH₂CHOH⁺	Formamide, O-protonated
765	CH₂(OH)₂	methanediol	¹A	C₂
766	CH₃SSH	Hydrogen methyl disulfide
767	HSCH₂SH	Methanedithiol
768	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
769	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
770	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
771	NH₂CH₂OH	aminomethanol
772	CH₃CH₂OH	Ethanol	¹A^'	C_s
773	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
774	CH₃CH₂SH	ethanethiol	¹A^'	C_s
775	CH₃CH₂SH	ethanethiol	¹A	C₁
776	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
777	CH₃SCH₃⁺	dimethyl sulfide cation
778	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
779	CuF₂	Copper difluoride	²Π_g	D_∞h
780	CNF	iso cyanogen fluoride	¹Σ	C_∞v
781	FCN	Cyanogen fluoride	¹Σ	C_∞v
782	ClCN	chlorocyanogen	¹Σ	C_∞v
783	BrCN	Cyanogen bromide	¹Σ	C_∞v
784	FBO	Boron monofluoride monoxide
785	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
786	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
787	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
788	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
789	BeBr₂	Beryllium bromide
790	CaBr₂	Calcium dibromide
791	FCO	Carbonyl fluoride	²A^'	C_s
792	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
793	ClCO	carbonyl monochloride	²A^'	C_s
794	BF₂	Boron difluoride radical	²A₁	C_2v
795	FNO	Nitrosyl fluoride	¹A^'	C_s
796	ClNO	Nitrosyl chloride	¹A^'	C_s
797	FNS	Thionitrosyl fluoride	¹A^'	C_s
798	FSN	Thiazyl fluoride	¹A^'	C_s
799	OPCl	Phosphorus oxychloride
800	CF₂	Difluoromethylene	¹A₁	D_∞h
801	CFCl	chlorofluoromethylene	¹A^'	C_s
802	SiF₂	Silicon difluoride	¹A₁	C_2v
803	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
804	GeF₂	Germanium difluoride	¹A₁	C_2v
805	GeCl₂	Germanium dichloride	¹A₁	C_2v
806	CBr₂	dibromomethylene	¹A₁	C_2v
807	CBr₂	dibromomethylene	³B₁	C_2v
808	FOO⁺	Fluorine dioxide cation
809	OClO	Chlorine dioxide	²B₁	D_∞h
810	OClO^-	Chlorine dioxide anion	¹A^'	C_s
811	ClSO	Sulfur chloride oxide	²A^"	C_s
812	BrOO	Bromine dioxide
813	OBrO	Bromine dioxide radical	²B₁	C_2v
814	PF₂	Phosphorus difluoride
815	PF₂⁺	Phosphorus difluoride cation
816	FClO	chlorosyl fluoride	¹A^'	C_s
817	F₂O	Difluorine monoxide	¹A₁	C_2v
818	ClOF	Chlorine hypofluorite	¹A^'	C_s
819	SF₂	sulfur difluoride	¹A₁	C_2v
820	SF₂^-	sulfur difluoride anion	²A^'	C_s
821	SF₂^-	sulfur difluoride anion	²Π	D_∞h
822	SCl₂	Sulfur dichloride	¹A₁	C_2v
823	SeF₂	Selenium difluoride
824	SeCl₂	Selenium Dichloride
825	SBr₂	Sulfur dibromide
826	SeBr₂	Selenium dibromide
827	F₃^-	trifluoride anion	¹Σ_g	D_∞h
828	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
829	Br₃^-	tribromide anion
830	SFCl	Sulfur chloride fluoride
831	HCCF	Fluoroacetylene	¹Σ	C_∞v
832	HCCCl	Chloroacetylene	¹Σ	C_∞v
833	HCCBr	bromoacetylene	¹Σ	C_∞v
834	HFCO	formyl fluoride	¹A^'	C_s
835	HFCO⁺	formyl fluoride cation	²A^'	C_s
836	CHCl₂	dichloromethyl radical	²B₁	C_2v
837	CHCl₂	dichloromethyl radical	²A^'	C_s
838	CHF₂	difluoromethyl radical	²A	C_s
839	CHF₂⁺	difluoromethyl cation
840	CHFCl	Chlorofluoromethyl radical
841	CHFCl⁺	Chlorofluoromethyl cation
842	CHCl₂⁺	dichloromethyl cation
843	CHBr₂	dibromomethyl radical
844	NHF₂	difluoramine
845	NHCl₂	dichloroamine
846	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
847	CH₂FCl	fluorochloromethane	¹A^'	C_s
848	SiH₂F₂	difluorosilane
849	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
850	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
851	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
852	CH₂Br₂	dibromomethane	¹A₁	C_2v
853	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
854	CH₃MgBr	Methyl Magnesium Bromide
855	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
856	C₂H₃Cl	Ethene, chloro-	¹A^'	C_s
857	C₂H₃Br	vinyl bromide	¹A^'	C_s
858	CH₂FOH	fluoromethanol
859	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
860	CHClCH₃	1-chloroethyl radical	²A	C₁
861	C₂H₅F	fluoroethane	¹A^'	C_s
862	CH₃CH₂Cl	Ethyl chloride	¹A^'	C_s
863	C₂H₅Br	Ethyl bromide	¹A^'	C_s
864	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
865	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
866	C₄	Carbon tetramer	³Σ_g	D_∞h
867	C₄	Carbon tetramer
868	C₄H₂	Diacetylene	¹Σ_g	D_∞h
869	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
870	C₂H₃CCH	1-Buten-3-yne	¹A^'	C₁
871	C₄H₄	cyclobutadiene	¹A_g	D_2h
872	C₄H₄	Tetrahedrane
873	C₄H₆	1-Methylcyclopropene	¹A	C₁
874	C₄H₆	Cyclobutene	¹A₁	C_2v
875	C₄H₆	Methylenecyclopropane	¹A₁	C_2v
876	CH₂CCHCH₃	1,2-Butadiene	¹A^'	C₁
877	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
878	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
879	C₄H₈	methylcyclopropane	¹A^'	C_s
880	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	¹A₁	C_2v
881	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
882	CH₃CHCHCH₃	2-Butene, (Z)-	¹A₁	C_2v
883	CH₃CH(CH₃)CH₃	Isobutane	¹A₁	C_3v
884	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
885	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
886	Li₃N	trilithium nitride	¹A^'	D_3h
887	Li₃N	trilithium nitride	¹A₁	C_3v
888	C₂N₂	Cyanogen	¹Σ_g	D_∞h
889	As₄	Arsenic tetramer	¹A₁	T_d
890	HCCCN	Cyanoacetylene	¹Σ	C_∞v
891	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
892	H₂CNCN	cyanamide, methylene
893	HNCCNH	Ethenediimine
894	C₃H₃N	acrylonitrile	¹A^'	C_s
895	CH₃N₃	methyl azide	¹A^'	C_s
896	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
897	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
898	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
899	C₂H₅CN	ethyl cyanide	¹A^'	C_s
900	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
901	H₂NCHCHNH₂	diaminoethylene
902	C₃H₇N	Cyclopropylamine	¹A^'	C₁
903	CH₇N₃	triaminomethane
904	C₄H₈	cyclobutane	¹A₁	D_2d
905	CH₃CH(NH₂)CH₃	2-Propanamine	¹A^'	C_s
906	N(CH₃)₃	Trimethylamine	¹A₁	C_3v
907	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
908	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
909	N(SiH₃)₃	trisilylamine
910	(CH₃)₃NH⁺	protonated trimethyl amine
911	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
912	K₂O₂	dipotassium dioxide
913	C₃O	Tricarbon monoxide	¹Σ	C_∞v
914	ONNO	NO dimer	¹A_g	trans C2H
915	ONNO	NO dimer	¹A₁	cis C2V
916	S₂N₂	Disulfur dinitride	¹A_G	D_2h
917	CS₃^--	Carbonotrithioate
918	NO₃^-	nitrate anion	¹A₁^'	D_3h
919	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
920	SO₃	Sulfur trioxide	¹A₁^'	D_3h
921	SO₃^--	Sulfate dianion
922	SeO₃	selenium trioxide	¹A₁^'	D_3h
923	S₄	Sulfur tetramer
924	S₄	Sulfur tetramer
925	S₄	Sulfur tetramer
926	HNO₃	Nitric acid	¹A^'	C_s
927	NH₂NO₂	nitramide	¹A^'	C_s
928	C₃H₂O	Propadienal
929	C₃H₂O	Propadienal
930	C₂H₂O₂	Ethanedial	¹A_g	C_2h
931	H₂SO₃	Sulfurous acid	¹A^'	C_s
932	CH₃NCO	methylisocyante
933	HOCH₂CN	cyanomethanol
934	CH₃NO₂	Methane, nitro-	¹A^'	C_s
935	CH₃ONO	Methyl nitrite	¹A^'	C₁
936	NH₂COOH	Carbamic acid	¹A^'	C_s
937	NH₂COOH	Carbamic acid	¹A	C₁
938	H₃AlO₃	Aluminum hydroxide
939	C₃H₄O	Cyclopropanone	¹A₁	C_2v
940	CH₂CHCHO	Acrolein	¹A^'	C_s
941	CH₂CHCHO	Acrolein
942	NH₂CONH₂	Urea	¹A	C₂
943	NH₂CONH₂	Urea	¹A^'	C_s
944	NH₂CONH₂	Urea	¹A₁	C_2v
945	CH₃COOH	Acetic acid	¹A^'	C_s
946	CH₃OCHO	methyl formate	¹A^'	C_s
947	CHOCH₂OH	hydroxy acetaldehyde	¹A^'	CS H in
948	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
949	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
950	CH₃COCH₂	Acetonyl radical	²A^"	C_s
951	CH₂C(OH)NH₂	1-amino vinyl alchohol
952	CH₃C(OH)=NH	Ethaninidic acid
953	CH₃CHNOH	Acetaldoxime	¹A^'	CS trans
954	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
955	CH₃CONH₂	Acetamide	¹A^'	C₁
956	HCONHCH₃	N-methylformamide	¹A^'	CS cis
957	HCONHCH₃	N-methylformamide	¹A^'	CS trans
958	CH₃CSNH₂	Ethanethioamide
959	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
960	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
961	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
962	C₃H₅OH	Cyclopropanol	¹A	C₁
963	C₃H₆O	2-Propen-1-ol	¹A	C₁
964	C₃H₆O	Acetone enol	¹A^'	C_s
965	C₃H₆O	Oxetane	¹A₁	C_2v
966	C₃H₆O	Oxetane	¹A^'	C_s
967	C₃H₆O	Propylene oxide	¹A	C₁
968	CH₃CH₂CHO	Propanal	¹A^'	C_s
969	CH₃COCH₃^-	acetone anion	²A^'	C_s
970	C₃H₆S	Thietane	¹A^'	C_s
971	C₃H₆S	Thiirane, methyl-	¹A	C₁
972	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
973	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
974	C₃H₇OH	1-Propanol	¹A^'	C_s
975	C₃H₇OH	1-Propanol
976	CH₃CHOHCH₃	Isopropyl alcohol	¹A	C₁
977	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
978	Li₂F₂	Lithium fluoride dimer
979	FNO₂	Nitryl fluoride	¹A₁	C_2v
980	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
981	ClNO₂	Nitryl chloride	¹A₁	C_2v
982	ClONO	chlorine nitrite	¹A^'	CS cis
983	N₂F₂	(Z)-Difluorodiazene	¹A₁	C_2v
984	CF₂O	Carbonic difluoride	¹A₁	C_2v
985	CF₂O⁺	Carbonic difluoride cation
986	CCl₂O	Phosgene	¹A₁	C_2v
987	Cl₂CS	Thiophosgene	¹A₁	C_2v
988	BF₃	Borane, trifluoro-	¹A^'	D_3h
989	BF₃⁺	boron trifluoride cation	²B₂	C_2v
990	BF₃⁺	boron trifluoride cation
991	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
992	BClF₂	Chlorodifluoroborane
993	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
994	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
995	BCl₃⁺	Boron Trichloride cation
996	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
997	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
998	BBr₃	Boron tribromide	¹A₁^'	D_3h
999	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1000	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1001	CF₂Cl	difluorochloromethyl radical
1002	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1003	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1004	CFCl₂	dichlorofluoromethyl radical
1005	CBr₃	tribromomethyl radical
1006	FOOF	Perfluoroperoxide	¹A	C₂
1007	ClO₂F	Chloryl fluoride	¹A^'	C_s
1008	F₂SO	Thionyl Fluoride	¹A^'	C_s
1009	ClOOCl	Dichlorine dioxide	¹A	C₂
1010	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
1011	SOCl₂	thionyl chloride	¹A^'	C_s
1012	SSCl₂	Thiothionyl chloride
1013	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1014	PF₃	Phosphorus trifluoride	¹A₁	C_3v
1015	NCl₃	nitrogen trichloride	¹A₁	C_3v
1016	AsF₃	Arsenic trifluoride	¹A₁	C_3v
1017	PCl₃	Phosphorus trichloride	¹A₁	C_3v
1018	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1019	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1020	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1021	SF₃	Sulfur trifluoride	²A^'	C_s
1022	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1023	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1024	HClO₃	Chloric Acid	¹A^'	C_s
1025	HClO₃	Chloric Acid	¹A	C₁
1026	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1027	SiHF₃	trifluorosilane
1028	CHFCl₂	fluorodichloromethane	¹A^'	C_s
1029	CDCl₃	trichloromethane-d	¹A₁	C_3v
1030	CHCl₃	Chloroform	¹A₁	C_3v
1031	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1032	SiHCl₃	Trichlorosilane	¹A₁	C_3v
1033	CHFClBr	fluorochlorobromomethane	¹A	C₁
1034	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1035	CHBr₂F	dibromofluoromethane
1036	CHBr₃	bromoform	¹A₁	C_3v
1037	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1038	AsF₃H⁺	Arsenic trifluoride, protonated
1039	CH₂CF₂	Ethene, 1,1-difluoro-	¹A₁	C_2v
1040	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1041	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1042	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1043	CH₂CCl₂	Ethene, 1,1-dichloro-	¹A₁	C_2v
1044	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	¹A₁	C_2v
1045	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1046	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1047	CH₃COF	Acetyl fluoride	¹A^'	NULL
1048	CH₃COCl	Acetyl Chloride	¹A^'	C_s
1049	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1050	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1051	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1052	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1053	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1054	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1055	CH₃CHCl₂	Ethane, 1,1-dichloro-	¹A^'	C_s
1056	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1057	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1058	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1059	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1060	CH₂CHCH₂F	Allyl Fluoride
1061	CH₂CHCH₂F	Allyl Fluoride
1062	CH₃CHCHF	trans-1-Fluoro-1-propene
1063	C₃H₅Cl	1-chloro-1-propene(E)	¹A^'	C_s
1064	C₃H₅Cl	1-chloro-1-propene(Z)	¹A^'	C_s
1065	CH₂FCH₂OH	2-fluoroethanol
1066	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1067	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1068	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1069	CH₂FCH₂CH₃	1-Fluoropropane
1070	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1071	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1072	B₅H₉	pentaborane9
1073	C₅H₄	pentatetraene
1074	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1075	C₅H₆	Propellane	¹A₁	D_3h
1076	C₅H₈	Bicyclo[1.1.1]pentane
1077	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1078	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1079	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1080	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1081	C₄H₄N	pyrrolide radical	²A₂	C_2v
1082	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1083	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1084	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1085	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1086	C₄H₅N	Pyrrole	¹A₁	C_2v
1087	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1088	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1089	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1090	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1091	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1092	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1093	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1094	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1095	B₂O₃	diboron trioxide
1096	B₂O₃	diboron trioxide
1097	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1098	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1099	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1100	HOONO₂	peroxy nitric acid	¹A	C₁
1101	HSO₄^-	bisulfate anion	¹A^'	C_s
1102	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1103	CHOOCHO	diformyl ether
1104	H₂SeO₄	Selenic acid	¹A	C₂
1105	C₃H₃NO	Isoxazole	¹A^'	C_s
1106	C₃H₃NO	Oxazole	¹A^'	C_s
1107	C₃H₃NS	Thiazole
1108	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1109	C₄H₄Se	selenophene
1110	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1111	HOCHCCHOH	allenediol	¹A	C₂
1112	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1113	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1114	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1115	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1116	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1117	CH₂CHSCHCH₂	Divinyl sulfide
1118	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1119	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1120	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1121	C₄H₁₀O	1-Butanol	¹A^'	C_s
1122	C₄H₁₀O	1-Propanol, 2-methyl-	¹A	C₁
1123	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1124	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1125	C₄H₉SH	1-Butanethiol
1126	BrONO₂	Bromine nitrate	¹A^'	C_s
1127	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1128	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1129	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1130	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1131	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1132	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1133	CBrCl₂F	bromodichlorofluoromethane
1134	CBr₂ClF	dibromochlorofluoromethane
1135	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1136	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1137	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1138	CBr₄	Carbon tetrabromide	¹A₁	T_d
1139	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1140	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1141	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1142	SeF₄	Selenium tetrafluoride
1143	SCl₄	Sulfur tetrachloride
1144	CF₃OH	trifluoromethanol	¹A^'	C_s
1145	CH₂ClCCCl	1,3-dichloropropyne
1146	CHCl₂CCH	3,3-dichloropropyne
1147	CHCl₂CHO	dichloroacetaldehyde
1148	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1149	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1150	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1151	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1152	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1153	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1154	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1155	CH₂FCH₂CH₂F	1,3-difluoropropane
1156	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1157	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1158	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1159	C₂H₂N₂O	Furazan
1160	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1161	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1162	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1163	C₆H₅^-	phenyl anion	¹A₁	C_2v
1164	C₆H₆	Prismane
1165	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1166	C₆H₆	Benzvalene	¹A₁	C_2v
1167	C₆H₆	Dewar Benzene
1168	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1169	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1170	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1171	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1172	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1173	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1174	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1175	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1176	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1177	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1178	C₆H₁₂	hex-1-ene	¹A^'	C_s
1179	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1180	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1181	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1182	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1183	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1184	C₃H₂O₃	vinylene carbonate
1185	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1186	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1187	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1188	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1189	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1190	C₅H₆O	2H-Pyran
1191	C₅H₆O	Pentadienal
1192	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1193	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1194	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1195	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1196	C₅H₈O	Cyclopentanone	¹A	C₂
1197	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1198	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1199	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1200	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1201	C₄F₂	difluorobutadiyne
1202	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1203	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1204	C₂ClF₃	Ethene, chlorotrifluoro-
1205	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1206	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1207	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1208	C₂Br₄	tetrabromoethene
1209	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1210	SiF₅^-	silicon pentafluoride anion
1211	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1212	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1213	SF₅	Sulfur pentafluoride	²A₁	C_4v
1214	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1215	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1216	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1217	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1218	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1219	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1220	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1221	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1222	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1223	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1224	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1225	C₄H₈O₂	Butanoic acid	¹A	C₁
1226	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1227	C₇H₁₂	Norbornane	¹A₁	C_2v
1228	C₇H₁₄	cycloheptane	¹A	C₂
1229	CH(CN)₃	tricyanomethane
1230	HN=C=C(CN)₂	Dicyanoketenimine
1231	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1232	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1233	C₅H₈O₂	Acetylacetone	¹A	C₂
1234	C₇H₁₀	Norbornene
1235	C₆H₁₂O	Oxepane
1236	F₂CCCF₂	tetrafluoroallene
1237	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1238	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1239	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1240	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1241	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1242	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1243	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1244	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1245	C₈H₆	Calicene	¹A₁	C_2v
1246	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1247	C₈H₆	Pentalene	¹A_g	C_2h
1248	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1249	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1250	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1251	S₄N₄	Tetrasulfur tetranitride
1252	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1253	C₅H₉NO₂	Proline	¹A	C₁
1254	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1255	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1256	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1257	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1258	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1259	C₆H₄Cl₂	1,4-dichlorobenzene
1260	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1261	C₉H₈	Indene	¹A^'	C_s
1262	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1263	C₉H₂₀	Nonane	¹A₁	C_2v
1264	C(CN)₄	tetracyanomethane	¹A₁	T_d
1265	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1266	CH₃COC₆H₅	acetophenone	¹A	C₁
1267	C₃F₆	hexafluoropropene
1268	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1269	C₈H₁₈O	1-Octanol
1270	C₁₀H₈	Azulene	¹A₁	C_2v
1271	C₁₀H₈	naphthalene	¹A_g	D_2h
1272	C₁₀H₁₀	bullvalene
1273	C₁₂H₈	biphenylene	¹A_g	D_2h
1274	C₁₂H₁₀	Heptalene	¹A	C₂
1275	S₂F₁₀	disulphur decafluoride
1276	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1277	C₆H₅COC₆H₅	benzophenone	¹A	C₂

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 anion	k-
12	K⁺	Potassium atom cation	k+
13	Cu	Copper atom	cu
14	Cu^-	Copper atom anion	cu-
15	Cu⁺	Copper atom cation	cu+
16	LiH^-	lithium hydride anion	lih-
17	NaH^-	sodium hydride anion	nah-
18	KH⁺	Potassium hydrogen cation	kh+
19	CuH	Copper monohydride	cuh
20	Be^-	Beryllium atom anion	be-
21	Mg^-	Magnesium atom anion	mg-
22	Ca	Calcium atom	ca
23	Ca^-	Calcium atom anion	ca-
24	Ca⁺	Calcium atom cation	ca+
25	Zn	Zinc atom	zn
26	Zn^-	Zinc atom anion	zn-
27	Zn⁺	Zinc atom cation	zn+
28	BeH^-	berylium monohydride anion	beh-
29	BeH⁺	beryllium monohydride cation	beh+
30	MgH^-	magnesium monohydride anion	mgh-
31	MgH⁺	magnesium monohydride cation	mgh+
32	ZnH	Zinc monohydride	znh
33	CaH₂	Calcium Hydride	cah2
34	ZnH₂	Zinc hydride	znh2
35	B^-	Boron atom anion	b-
36	BH^-	boron monohydride anion	bh-
37	BH⁺	boron monohydride cation	bh+
38	AlH	aluminum monohydride	alh
39	AlH^-	aluminum monohydride anion	alh-
40	AlH⁺	aluminum monohydride cation	alh+
41	BH₂	boron dihydride	bh2
42	AlH₂	aluminum dihydride	alh2
43	AlH₂^-	aluminum dihydride anion	alh2-
44	AlH₂⁺	aluminum dihydride cation	alh2+
45	BH₃^-	boron trihydride anion	bh3-
46	AlH₃⁺	aluminum trihydride cation	alh3+
47	AlH₄^-	Aluminum tetrahydride anion	alh4-
48	C^-	Carbon atom anion	c-
49	Ti	Titanium atom	ti
50	Ti^-	Titanium atom anion	ti-
51	Ti⁺	Titanium atom cation	ti+
52	Sn	Tin atom	sn
53	Sn⁺	Tin cation	sn+
54	CH^-	methylidyne anion	ch-
55	CH⁺	Methylidyne cation	ch+
56	SiH₂^-	silicon dihydride anion	sih2-
57	SiH₂⁺	silicon dihydride cation	sih2+
58	SiH₃^-	Silyl anion	sih3-
59	CH₄⁺	Methane cation	ch4+
60	SiH₄⁺	Silane cation	sih4+
61	SnH₄	Stannane	snh4
62	N^-	Nitrogen atom anion	n-
63	P^-	Phosphorus atom anion	p-
64	P⁺	Phosphorus atom cation	p+
65	Sb	Antimony atom	sb
66	NH	Imidogen	nh
67	NH^-	Imidogen anion	nh-
68	NH⁺	imidogen cation	nh+
69	PH^-	phosphorus monohydride anion	ph-
70	PH⁺	phosphorus monohydride cation	ph+
71	SbH	Antimony monohydride	sbh
72	ND₂	Amidogen-d2	nd2
73	NH₂^-	amino anion	nh2-
74	PH₂	Phosphino radical	ph2
75	PH₂^-	Phosphino anion	ph2-
76	PH₂⁺	Phosphino cation	ph2+
77	AsH₂	Arsenic dihydride	ash2
78	ND₃	Ammonia-d3	nd3
79	SbH₃	Stibine	sbh3
80	O^-	Oxygen atom anion	o-
81	Cr	Chromium atom	cr
82	Te	Tellurium atom	te
83	Te⁺	Tellurium atom cation	te+
84	DO	Hydroxyl-d	od
85	TeH	Telluryl radical	teh
86	D₂S	Hydrogen sulfide-d2	d2s
87	H₂Te	Hydrogen Telluride	h2te
88	Mn	Manganese atom	mn
89	I	Iodine atom	iodine
90	I^-	Iodine atom anion	iodine-
91	I⁺	Iodine atom cation	iodine+
92	DF	Hydrofluoric acid-d	df
93	DCl	Hydrochloric acid-d	dcl
94	HI	Hydrogen iodide	hi
95	HI⁺	Hydrogen iodide cation	hi+
96	H₂F⁺	dihydrogen fluoride cation	h2f+
97	H₂I⁺	Iodonium	h2i+
98	Ne^-	Neon atom anion	ne-
99	Ar^-	Argon atom anion	ar-
100	Ar⁺	Argon atom cation	ar+
101	Fe	Iron atom	fe
102	Xe	Xenon atom	xe
103	NeH⁺	neon hydrogen cation	neh+
104	XeH⁺	Xenon, protonated	xeh+
105	Co	Cobalt atom	cobalt
106	Ni	Nickel atom	ni
107	Li₂^-	lithium diatomic anion	li2-
108	Li₂⁺	lithium diatomic cation	li2+
109	NaLi^-	lithium sodium anion	lina-
110	NaLi⁺	lithium sodium cation	lina+
111	LiK	Lithium Potassium	lik
112	NaK	Sodium Potassium	nak
113	Cu₂	Copper diatomic	cu2
114	LiBe	Lithium Beryllium	libe
115	LiMg	Lithium magnesium	limg
116	NaBe	Sodium Beryllium	nabe
117	NaMg	Sodium Magnesium	namg
118	Be₂^-	Beryllium diatomic anion	be2-
119	Be₂⁺	Beryllium diatomic cation	be2+
120	Mg₂^-	magnesium diatomic anion	mg2-
121	Mg₂⁺	magnesium diatomic cation	mg2+
122	B₂^-	Boron diatomic anion	b2-
123	Al₂	Aluminum diatomic	al2
124	Al₂^-	aluminum diatomic anion	al2-
125	Al₂⁺	aluminum diatomic cation	al2+
126	BC^-	boron monocarbide anion	bc-
127	BC⁺	boron monocarbide cation	bc+
128	C₂^-	carbon diatomic anion	c2-
129	SiC^-	silicon monocarbide anion	sic-
130	SiC⁺	silicon monocarbide cation	sic+
131	Si₂	Silicon diatomic	si2
132	Si₂^-	silcon diatomic anion	si2-
133	Si₂⁺	silcon diatomic cation	si2+
134	Ge₂	Germanium diatomic	ge2
135	C₂H⁺	Ethynyl cation	c2h+
136	ZnCH₂	Zinc methylene	znch2
137	CCH₂	vinylidene	vinylidene
138	CuCH₃	monomethyl copper	cuch3
139	ZnCH₃	Zinc monomethyl	znch3
140	CH₃CH	methylmethylene	ch3ch
141	CH₂SiH₂	silaethylene	ch2sih2
142	C₂H₅⁺	Ethyl cation	c2h5+
143	C₂H₆⁺	ethane cation	c2h6+
144	CH₃SiH₃	methyl silane	ch3sih3
145	C₂H₇⁺	Ethane, protonated	c2h7+
146	LiN⁺	Lithium Nitride cation	lin+
147	BeN^-	Beryllium mononitride anion	ben-
148	BN^-	boron nitride anion	bn-
149	AlN^-	aluminum mononitride anion	aln-
150	AlN⁺	aluminum mononitride cation	aln+
151	BN⁺	boron nitride cation	bn+
152	AlN	Aluminum nitride	aln
153	CN⁺	Cyano cation	cn+
154	CP	Carbon monophosphide	cp
155	CP^-	carbon monophosphide anion	cp-
156	CP⁺	carbon monophosphide cation	cp+
157	SiN	Silicon nitride	sin
158	SiN^-	silicon mononitride anion	sin-
159	SiN⁺	silicon mononitride cation	sin+
160	SiP^-	Silicon monophosphide anion	sip-
161	SiP⁺	Silicon monophosphide cation	sip+
162	TiN	Titanium mononitride	tin
163	PN^-	phosphorus nitride anion	pn-
164	PN⁺	phosphorus nitride cation	pn+
165	P₂^-	phosphorus diatomic anion	p2-
166	P₂⁺	phosphorus diatomic cation	p2+
167	SbN	Antimony nitride	sbn
168	As₂	Arsenic diatomic	as2
169	HNB	hydrogen nitrogen boron	hnb
170	HCN^-	Hydrogen cyanide anion	hcn-
171	NNH	Dinitrogen monohydride	nnh
172	HPO	Hydrogen phosphorus oxide	hpo
173	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
174	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
175	H₂CN⁺	hydrocyanonium cation	h2cn+
176	HCNH⁺	N-protonated HCN	hcnh+
177	P₂H₄	Diphosphine	p2h4
178	CH₃NH₃⁺	protonated methylamine	ch3nh3+
179	LiO^-	lithium oxide anion	lio-
180	LiO⁺	lithium oxide cation	lio+
181	NaO^-	sodium oxide anion	nao-
182	NaO⁺	sodium oxide cation	nao+
183	CuO	Copper Monoxide	cuo
184	BeO^-	Beryllium monoxide anion	beo-
185	BeS	beryllium sulfide	bes
186	MgO	magnesium oxide	mgo
187	MgO^-	magnesium oxide anion	mgo-
188	MgO⁺	magnesium oxide cation	mgo+
189	MgS	magnesium sulfide	mgs
190	MgS^-	magnesium sulfide anion	mgs-
191	MgS⁺	magnesium sulfide cation	mgs+
192	ZnO	zinc monoxide	zno
193	ZnS	Zinc sulfide	zns
194	BeS^-	Beryllium monosulfide anion	bes-
195	BeS⁺	Beryllium monosulfide cation	bes+
196	BO^-	boron monoxide anion	bo-
197	AlO	Aluminum monoxide	alo
198	AlO^-	Aluminum monoxide anion	alo-
199	AlO⁺	aluminum monoxide cation	alo+
200	BS	boron sulfide	bs
201	BS^-	boron monosulfide anion	bs-
202	BS⁺	boron monosulfide cation	bs+
203	AlS	Aluminum sulfide	als
204	AlS^-	aluminum monosulfide anion	als-
205	AlS⁺	aluminum monosulfide cation	als+
206	BO⁺	boron monoxide cation	bo+
207	CS^-	carbon monosulfide anion	cs-
208	CS⁺	carbon monosulfide cation	cs+
209	SiO^-	silicon monoxide anion	sio-
210	SiO⁺	silicon monoxide cation	sio+
211	SiS^-	silicon monosulfide anion	sis-
212	SiS⁺	silicon monosulfide cation	sis+
213	CSe^-	Carbon monoselenide anion	cse-
214	CSe⁺	Carbon monoselenide cation	cse+
215	NS⁺	nitrogen sulfide cation	ns+
216	PO^-	phosphorus monoxide anion	po-
217	PO⁺	phosphorus monoxide cation	po+
218	PS^-	phosphorus monosulfide anion	ps-
219	PS⁺	phosphorus monosulfide cation	ps+
220	AsO	Arsenic monoxide	aso
221	SO^-	sulfur monoxide anion	so-
222	S₂^-	sulfur diatomic anion	s2-
223	S₂⁺	sulfur diatomic cation	s2+
224	SeO^-	selenium monoxide anion	seo-
225	SeO⁺	selenium monoxide cation	seo+
226	SeS	Selenium monosulfide	ses
227	SeS^-	selenium monosulfide anion	ses-
228	SeS⁺	selenium monosulfide cation	ses+
229	TeO	Tellurium monoxide	teo
230	Se₂^-	selenium diatomic anion	se2-
231	Se₂⁺	selenium diatomic cation	se2+
232	Te₂	Tellurium diatomic	te2
233	NaOH	sodium hydroxide	naoh
234	MgOH	magnesium hydroxide	mgoh
235	CaOH	Calcium monohydroxide	caoh
236	HCS	Thioformyl radical	hcs
237	HCS^-	Thioformyl anion	hcs-
238	HCS⁺	Thioformyl cation	hcs+
239	HNO^-	Nitrosyl hydride anion	hno-
240	HNS	Sulfur imide	hns
241	HNS^-	Sulfur imide anion	hns-
242	HO₂^-	Hydroperoxy anion	ho2-
243	CH₃O	Methoxy radical	ch3o
244	CH₃S	thiomethoxy	ch3s
245	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
246	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
247	H₂ONH₃	Water Ammonia Dimer	h2onh3
248	LiCl^-	lithium chloride anion	licl-
249	LiCl⁺	lithium chloride cation	licl+
250	NaF^-	sodium fluoride anion	naf-
251	KF	Potassium Fluoride	kf
252	NaCl^-	sodium chloride anion	nacl-
253	NaCl⁺	sodium chloride cation	nacl+
254	KCl	Potassium Chloride	kcl
255	CuF	Copper monofluoride	cuf
256	LiBr^-	lithium bromide anion	libr-
257	LiBr⁺	lithium bromide cation	libr+
258	CuCl	Copper monochloride	cucl
259	NaBr	Sodium Bromide	nabr
260	NaBr^-	sodium bromide anion	nabr-
261	NaBr⁺	sodium bromide cation	nabr+
262	KBr	Potassium Bromide	kbr
263	LiI	Lithium Iodide	lii
264	NaI	Sodium Iodide	nai
265	KI	Potassium Iodide	ki
266	LiF^-	lithium fluoride anion	lif-
267	BeF	Beryllium monofluoride	bef
268	BeF⁺	Beryllium monofluoride cation	bef+
269	BeCl	beryllium monochloride	becl
270	MgF	Magnesium monofluoride	mgf
271	MgF^-	magnesium fluoride anion	mgf-
272	CaF	Calcium monofluoride	caf
273	MgCl	magnesium monochloride	mgcl
274	MgCl^-	magnesium monochloride anion	mgcl-
275	MgCl⁺	magnesium monochloride cation	mgcl+
276	CaCl	calcium monochloride	cacl
277	ZnF^-	Zinc monofluoride anion	znf-
278	ZnF⁺	Zinc monofluoride cation	znf+
279	ZnCl	Zinc monochloride	zncl
280	BeCl^-	beryllium monochloride anion	becl-
281	BeCl⁺	beryllium monochloride cation	becl+
282	BF^-	Boron monofluoride anion	bf-
283	BF⁺	Boron monofluoride cation	bf+
284	AlF^-	Aluminum monofluoride anion	alf-
285	AlF⁺	Aluminum monofluoride cation	alf+
286	BCl	boron monochloride	bcl
287	BCl^-	boron monochloride anion	bcl-
288	BCl⁺	boron monochloride cation	bcl+
289	AlCl^-	aluminum monochloride anion	alcl-
290	AlCl⁺	aluminum monochloride cation	alcl+
291	AlI	Aluminum monoiodide	ali
292	CF^-	carbon monofluoride anion	cf-
293	CF⁺	carbon monofluoride cation	cf+
294	CCl	carbon monochloride	ccl
295	CCl^-	carbon monochloride anion	ccl-
296	CCl⁺	carbon monochloride cation	ccl+
297	SiCl^-	silicon monochloride anion	sicl-
298	SiCl⁺	silicon monochloride cation	sicl+
299	NF	nitrogen fluoride	nf
300	NF^-	nitrogen monofluorine anion	nf-
301	NF⁺	nitrogen monofluoirde cation	nf+
302	NCl^-	nitrogen monochloride anion	ncl-
303	NCl⁺	nitrogen monochloride cation	ncl+
304	PF	phosphorus monofluoride	pf
305	PF^-	phosphorus monofluoride anion	pf-
306	PF⁺	phosphorus monofluoride cation	pf+
307	PCl	phosphorus chloride	pcl
308	PCl^-	phosphorus monochloride anion	pcl-
309	PCl⁺	phosphorus monochloride cation	pcl+
310	SbF	Antimony monofluoride	sbf
311	SbCl	Antimony monochloride	sbcl
312	FO^-	flourine oxide anion	fo-
313	FO⁺	fluorine monoxide cation	fo+
314	ClO^-	chlorine monoxide anion	clo-
315	SF^-	sulfur monofluoride anion	sf-
316	SCl^-	sulfur monochloride anion	scl-
317	IO	Iodine monoxide	io
318	ClF^-	clorine monofluoride anion	clf-
319	BrF^-	bromine fluoride anion	brf-
320	BrF⁺	bromine fluoride cation	brf+
321	BrCl^-	bromine chloride anion	brcl-
322	BrCl⁺	bromine chloride cation	brcl+
323	IF	Iodine monofluoride	if
324	ICl	Iodine monochloride	icl
325	IBr	Iodine monobromide	ibr
326	I₂	Iodine diatomic	i2
327	I₂⁺	Iodine diatomic cation	i2+
328	CHBr	bromomethylene	chbr
329	DOCl	Hypochlorous acid-d	docl
330	HOI	Hypoiodous acid	hoi
331	FHF	Hydrogen difluoride	fhf
332	FHF^-	Hydrogen difluoride anion	fhf-
333	NH₂F	monofluoroamine	nh2f
334	H₂F₂	Hydrogen fluoride dimer	h2f2
335	CH₃Cl⁺	Methyl chloride cation	ch3cl+
336	CH₃I	methyl iodide	ch3i
337	SiH₃I	Silyl Iodide	sih3i
338	Ne₂	Neon diatomic	ne2
339	C₃⁺	carbon trimer cation	c3+
340	C₃H₃	Propargyl radical	propargyl
341	C₃H₃^-	Propargyl anion	c3h3-
342	C₃H₃⁺	cyclopropenyl cation	cpr+
343	C₃H₃⁺	Propargyl cation	c3h3+
344	C₃H₅⁺	Allyl cation	allyl+
345	Zn(CH₃)₂	dimethyl zinc	dmz
346	C₃H₇⁺	cyclopropane, protonated	c3h7+
347	CuCN	Copper cyanide	cucn
348	N₃^-	azide anion	n3-
349	HCNN	diazomethyl radical	hcnn
350	CH₂N₂	diazirine	ch2n2
351	CH₂NN	diazomethane	ch2nn
352	CH₃CN⁺	Acetonitrile cation	ch3cn+
353	NHCHNH₂	aminomethanimine	cn2h4
354	C₂H₅N	Aziridine	c2h5n
355	CH₂CHNH₂	aminoethene	aminoethene
356	CH₂NCH₃	N-methylmethanimine	nmm
357	CH₃CHNH	ethanimine	ethanimine
358	NH₂BHNH₂	diaminoborane	nh2bhnh2
359	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
360	Li₂O⁺	dilithium oxide cation	li2o+
361	CNO^-	fulminate	cno-
362	NCO^-	cyanate	nco-
363	SCN	thiocyanato radical	scn
364	SCN^-	thiocyanide anion	scn-
365	BO₂	Boron dioxide	bo2
366	BO₂^-	Boron dioxide anion	bo2-
367	BO₂⁺	Boron dioxide cation	bo2+
368	N₂O⁺	Nitrous oxide cation	n2o+
369	CO₂^-	Carbon dioxide anion	co2-
370	OCS⁺	Carbonyl sulfide cation	cos+
371	SiO₂	silicon dioxide	sio2
372	CS₂⁺	Carbon disulfide cation	cs2+
373	SCTe	Carbon sulfide Telluride	scte
374	NO₂^-	Nitrogen dioxide anion	no2-
375	PO₂	Phosphorus dioxide	po2
376	PO₂^-	Phosphorus dioxide anion	po2-
377	PO₂⁺	Phosphorus dioxide cation	po2+
378	O₃^-	Ozone anion	o3-
379	O₃⁺	Ozone cation	o3+
380	SO₂^-	Sulfur dioxide anion	so2-
381	SO₂⁺	Sulfur dioxide cation	so2+
382	S₃^-	Sulfur trimer anion	s3-
383	TeO₂	Tellurium Dioxide	teo2
384	CS₂H⁺	Carbon disulfide, protonated	cs2h+
385	HNCO	Isocyanic acid	hnco
386	HOCN	cyanic acid	hocn
387	HCO₂^-	formate anion	hco2-
388	HNNO	nitrosoazane	hnno
389	HOCO⁺	Hydrocarboxyl cation	hoco+
390	HNO₂	Nitrous acid	hno2
391	HNO₂⁺	nitrous acid cation	hno2+
392	CH₂CO⁺	Ketene cation	ch2co+
393	HCCOH	ethynol	hccoh
394	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
395	CH₂CHO	Vinyloxy radical	ch2cho
396	CH₃CO	Acetyl radical	ch3co
397	CH₃CO^-	Acetyl anion	ch3co-
398	CH₃CO⁺	acetyl cation	ch3co+
399	CH₂OOH	CH2OOH radical	ch2ooh
400	CH₃OO	methylperoxy radical	ch3oo
401	CH₃OO^-	methylperoxy anion	ch3oo-
402	CH₃OO⁺	methylperoxy cation	ch3oo+
403	CH₂CHOH	ethenol	ch2choh
404	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
405	CH₃OOH	Methyl peroxide	ch3ooh
406	H₂OH₂CO	water formaldehyde dimer	h2oh2co
407	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
408	CH₃CH₂O	Ethoxy radical	ethoxy
409	CH₃OCH₂	methoxymethyl radical	ch3och2
410	CH₃OHH₂O	methanol water dimer	ch3ohh2o
411	H₂OCH₃OH	water methanol dimer	h2och3oh
412	ZnF₂	Zinc difluoride	znf2
413	ICN	Cyanogen iodide	icn
414	MgCl₂	Magnesium dichloride	mgcl2
415	ZnCl₂	Zinc dichloride	zncl2
416	CaF₂	Calcium difluoride	caf2
417	BrNO	Nitrosyl bromide	brno
418	INO	Nitrosyl iodide	ino
419	CF₂^-	Difluoromethylene anion	cf2-
420	CF₂⁺	Difluoromethylene cation	cf2+
421	CCl₂	dichloromethylene	ccl2
422	CCl₂^-	dichloromethylene anion	ccl2-
423	CCl₂⁺	dichloromethylene cation	ccl2+
424	SiCl₂	Dichlorosilylene	sicl2
425	FOO	Dioxygen monofluoride radical	foo
426	ClOO	chloroperoxy radical	cloo
427	ClOO⁺	chloroperoxy cation	cloo+
428	OClO⁺	Chlorine dioxide cation	oclo+
429	ClS₂	Sulfur chloride	cls2
430	NF₂	Difluoroamino radical	nf2
431	NF₂⁺	Difluoroamino cation	nf2+
432	SF₂⁺	sulfur difluoride cation	sf2+
433	Cl₂O	Dichlorine monoxide	cl2o
434	BrOCl	Bromine hypochlorite	brocl
435	BrOBr	Bromine oxide	brobr
436	I₃^-	triiodide	i3-
437	HCCF⁺	fluoroacetylene cation	hccf+
438	COHCl	Formyl chloride	cohcl
439	COHBr	Formyl bromide	cohbr
440	BHF₂	Difluoroborane	bhf2
441	BHCl₂	Borane, dichloro-	bhcl2
442	HOClO	Chlorous acid	hoclo
443	CH₂FI	fluoroiodomethane	ch2fi
444	CH₂ClI	chloroiodomethane	ch2cli
445	CH₂BrI	bromoiodomethane	ch2bri
446	CH₂I₂	Diiodomethane	ch2i2
447	CH₂CHF⁺	fluoroethene cation	ch2chf+
448	C₂H₃I	Vinyl iodide	c2h3i
449	CH₃OCl	methyl hypochlorite	ch3ocl
450	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
451	C₂H₅I	Ethyl iodide	c2h5i
452	XeF₂	Xenon difluoride	xef2
453	C₄⁺	Carbon tetramer cation	c4+
454	H₂CCCCH₂	Butatriene	h2cccch2
455	CH₂CHCHCH₂	1,3-Butadiene	c106990
456	CH₃CCCH₃	2-Butyne	c503173
457	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
458	B(CH₃)₃	trimethylborane	bme3
459	Al(CH₃)₃	trimethyl aluminum	tma
460	C(CH₃)₃	Tert-butyl radical	tbutyl
461	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
462	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
463	SiH(CH₃)₃	trimethylsilane	trimsi
464	C₂N₂⁺	Cyanogen cation	c2n2+
465	P₄	Phosphorus tetramer	p4
466	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
467	CH₅N₃	Guanidine	guanidine
468	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
469	CH₆N₃⁺	guanidinium	ch6n3+
470	C₃H₇N	Azetidine	azet
471	C₂H₈N₂	Ethylenediamine	ethdiam
472	CH₃NHNHCH₃	dimethyl hydrazine	dmh
473	As(CH₃)₃	trimethyl arsine	tmas
474	Li₂O₂	dilithium dioxide	li2o2
475	Na₂O₂	disodium dioxide	na2o2
476	B₂O₂	Diboron dioxide	b2o2
477	CO₃	Carbon trioxide	co3
478	CO₃^--	carbonate	co3--
479	NO₃	Nitrogen trioxide	no3
480	SO₃^-	Sulfur trioxide anion	so3-
481	SO₃⁺	Sulfur trioxide cation	so3+
482	TeO₃	Tellurium trioxide	teo3
483	HCO₃^-	bicarbonate anion	hco3-
484	HSO₃	Hydroxysulfonyl radical	hso3
485	C₂H₂CO	cyclopropenone	c2h2co
486	HCCCHO	2-propynal	hcccho
487	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
488	H₂CO₃	Carbonic acid	h2co3
489	H₂CS₃	thiocarbonic acid	h2cs3
490	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
491	C₂H₃NO	Nitrosoethylene	c2h3no
492	CH₃COO^-	acetate anion	ch3coo-
493	H₃BO₃	Boric acid	h3bo3
494	H₃CO₃⁺	carbonic acid, protonated	h3co3+
495	C₃H₄O	2-Propyn-1-ol	c107197
496	C₃H₄O	allenol	c9000071
497	C₃H₄O	Methylketene	c6004440
498	NH₂CONH₂⁺	Urea cation	urea+
499	NH₂CSNH₂	Thiourea	thiourea
500	C₂H₄O₂	1,3-dioxetane	c2h4o2
501	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
502	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
503	HCOOHH₂O	Formic acid water dimer	hcoohh2o
504	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
505	C₂H₅OO	ethylperoxy radical	c2h5oo
506	CH₃COCH₃	Acetone	acetone
507	C₂H₆O₂	1,2-Ethanediol	ethdiol
508	CH₃OOCH₃	dimethylperoxide	dmp
509	CH₃SOCH₃	Dimethyl sulfoxide	dmso
510	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
511	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
512	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
513	C₃H₇SH	1-Propanethiol	prsh
514	CH₃CHSHCH₃	2-Propanethiol	isoprsh
515	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
516	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
517	Na₂F₂	Sodium Fluoride Dimer	na2f2
518	Na₂Cl₂	Disodium dichloride	na2cl2
519	C₂F₂	difluoroacetylene	c2f2
520	C₂Cl₂	dichloroacetylene	c2cl2
521	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
522	BrONO	Bromine nitrite	brono
523	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
524	COFCl	Carbonic chloride fluoride	cofcl
525	COBr₂	Carbonic dibromide	cobr2
526	BF₃^-	Borane, trifluoro- anion	bf3-
527	AlF₂Cl	Aluminum chloride difluoride	alclf2
528	AlFCl₂	Aluminum dichloride fluoride	alcl2f
529	AlCl₃	Aluminum trichloride	alcl3
530	AlBr₃	Aluminum Bromide	albr3
531	ClO₃	Chlorine trioxide	clo3
532	ClO₃^-	chlorate anion	clo3-
533	BrO₃^-	Bromate anion	bro3-
534	CF₃	Trifluoromethyl radical	cf3
535	CCl₃	Trichloromethyl radical	ccl3
536	CCl₃^-	Trichloromethyl anion	ccl3-
537	CCl₃⁺	Trichloromethyl cation	ccl3+
538	SiCl₃	trichlorosilyl radical	sicl3
539	SiCl₃⁺	trichlorosilyl cation	sicl3+
540	FSSF	Difluorodisulfane	fssf
541	SeOCl₂	selenium oxychloride	seocl2
542	NF₃^-	Nitrogen trifluoride anion	nf3-
543	NF₃⁺	Nitrogen trifluoride cation	nf3+
544	SbF₃	Antimony Trifluoride	sbf3
545	SbCl₃	Antimony Trichloride	sbcl3
546	AsBr₃	Arsenic tribromide	asbr3
547	NI₃	Nitrogen triiodide	ni3
548	PI₃	Phosphorus triiodide	pi3
549	ClSSCl	Disulfur dichloride	s2cl2
550	BrF₃	Bromine trifluoride	brf3
551	IF₃	iodone trifluoride	if3
552	CHF₂Cl	difluorochloromethane	chf2cl
553	CHF₂I	difluoroiodomethane	chf2i
554	CHFClI	fluorochloroiodomethane	chfcli
555	CHCl₂I	dichloroiodomethane	chcl2i
556	CHClBr₂	Methane, dibromochloro-	chclbr2
557	CHI₃	Iodoform	chi3
558	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
559	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
560	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
561	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
562	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
563	CH₂ClCHO	chloroacetaldehyde	ch2clcho
564	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
565	CH₂CFCH₃	2-fluoropropene	2fpro
566	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
567	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
568	CH₃CH₂CH₂Br	n-propyl bromide	prbr
569	CH₃CHBrCH₃	i-propyl bromide	iprbr
570	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
571	C₅H₅^-	cylopentadienyl anion	c5h5-
572	C₅H₆	1,3-Cyclopentadiene	c542927
573	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
574	C₅H₆	3-Penten-1-yne, (E)-	c2004695
575	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
576	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
577	C₅H₆	Cyclopropylacetylene	c6746947
578	C₅H₇	1,3-pentadienyl radical	pdyl
579	C₅H₇	cyclopentenyl radical	cpyl
580	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
581	C₅H₈	1,2-Pentadiene	c591957
582	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
583	C₅H₈	1,3-Pentadiene, (E)-	c2004708
584	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
585	C₅H₈	1,4-Pentadiene	c591935
586	C₅H₈	1-pentyne	a1pentyne
587	C₅H₈	2,3-Pentadiene	c591968
588	C₅H₈	Cyclobutane, methylene-	c1120565
589	C₅H₈	Cyclopentene	c142290
590	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
591	C₅H₁₀	1-Butene, 2-methyl-	c563462
592	C₅H₁₀	2-Butene, 2-methyl-	c513359
593	C₅H₁₀	2-Pentene, (E)-	c646048
594	C₅H₁₀	2-Pentene, (Z)-	c627203
595	C₅H₁₀	Cyclopentane	c287923
596	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
597	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
598	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
599	C₅H₁₂	Butane, 2-methyl-	buta2
600	C₅H₁₂	Pentane	pentane
601	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
602	Si(CH₃)₄	tetramethylsilane	tms
603	N₂O₃	Dinitrogen trioxide	n2o3
604	C₃H₂N₂	Malononitrile	c3h2n2
605	C₂H₃N₃	1H-1,2,4-Triazole	c288880
606	C₃H₄N₂	1H-Pyrazole	1hpyraz
607	C₄H₅N	(E)-2-Butenenitrile	c627269
608	C₄H₅N	(Z)-2-Butenenitrile	c1190767
609	C₄H₅N	2H-pyrrole	pyrrole2
610	C₄H₅N	3H-pyrrole	pyrrole3
611	C₄H₅N	Cyclopropanecarbonitrile	c5500210
612	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
613	C₃H₆N₂	3-Aminopropionitrile	c151188
614	C₅H₈	Bicyclo[2.1.0]pentane	c185944
615	C₅H₈	Spiropentane	c157404
616	C₄H₉N	Cyclobutylamine	cbam
617	C₄H₉N	Pyrrolidine	pyrrolidine
618	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
619	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
620	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
621	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
622	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
623	C₃O₂⁺	Carbon suboxide cation	c3o2+
624	CaCO₃	Calcium Carbonate	caco3
625	PO₄^---	phosphate	po4---
626	SO₄^--	sulfate	so4--
627	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
628	CHOCOOH	oxo acetic acid	oaa
629	H₂SO₄	Sulfuric acid	h2so4
630	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
631	CH₃NO₃	Methyl nitrate	ch3no3
632	H₃PO₄	Phosphoric Acid	h3po4
633	C₄H₄O	Furan	furan
634	C₄H₄O⁺	Furan cation	furan+
635	C₄H₄S	Thiophene	furans
636	C₃H₄O₂	β–Propiolactone	beta
637	C₃H₄O₂	2-Propenoic acid	propenoic2
638	C₃H₄O₂	propanedial	propanedial
639	C₃H₄O₂	propenalol	propenalol
640	C₂H₄O₃	trioxolane124	triox
641	HOCH₂COOH	Hydroxyacetic acid	hac
642	CH₂CHCONH₂	Acrylamide	c79061
643	CH₅N₃S	Hydrazinecarbothioamide	c79196
644	H₂NCH₂COOH	Glycine	glycine
645	C₄H₆O	cis-2-butenal	butenal2c
646	C₄H₆O	Cyclobutanone	cbutone
647	C₄H₆O	Furan, 2,3-dihydro-	furan23h
648	C₄H₆O	Furan, 2,5-dihydro-	furan25h
649	CHOCHCHCH₃	2-Butenal	butenal2
650	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
651	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
652	C₂H₆N₂O	Urea, methyl-	c598505
653	C₃H₆O₂	1,3-Dioxolane	dioxolane
654	CH₃COOCH₃	methyl acetate	aame
655	HCOOC₂H₅	Ethyl formate	faee
656	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
657	C₃H₇NO	dimethylformamide	dmf
658	C₃H₇NO	Propanamide	propanam
659	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
660	C₄H₈O	Cyclobutanol	c2919235
661	C₄H₈O	Furan, tetrahydro-	thf
662	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
663	CH₃COCH₂CH₃	2-Butanone	buta2one
664	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
665	CHOCH₂CH₂CH₃	Butanal	butanal
666	C₃H₈O₂	1,3-Propanediol	c504632
667	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
668	C₃H₈O₂	Methane, dimethoxy-	c109875
669	C₃H₈O₂	Propylene glycol	c57556
670	C₃H₈S₂	1,3-Propanedithiol	c109808
671	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
672	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
673	C₄H₁₀O	Ethoxy ethane	etoet
674	C₄H₁₀O	Propane, 2-methoxy-	c598538
675	C₄H₁₀O⁺	1-Butanol cation	butanol1+
676	C₂H₅SC₂H₅	Diethyl sulfide	etset
677	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
678	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
679	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
680	FNO₃	Fluorine nitrate	fno3
681	ClONO₂	Chlorine nitrate	clono2
682	TiCl₄	Titanium tetrachloride	ticl4
683	ClO₄^-	perchlorate anion	clo4-
684	BF₄^-	tetrafluoroboron anion	bf4-
685	ClFO₃	Perchloryl fluoride	clfo3
686	SO₂Cl₂	Sulfuryl chloride	so2cl2
687	F₃NO	Nitrogen trifluoride oxide	f3no
688	F₃PO	Phosphoryl fluoride	pf3o
689	Cl₃PO	Phosphoryl chloride	pcl3o
690	CF₄	Carbon tetrafluoride	cf4
691	SiF₄	Silicon tetrafluoride	sif4
692	CFCl₃	Trichloromonofluoromethane	cfcl3
693	CCl₄	Carbon tetrachloride	ccl4
694	CCl₄⁺	Carbon tetrachloride cation	ccl4+
695	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
696	SiCl₄	Silane, tetrachloro-	sicl4
697	CF₃I	trifluoroiodomethane	cf3i
698	CBrCl₃	Methane, bromotrichloro-	cbrcl3
699	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
700	GeCl₄	Germanium Tetrachloride	gecl4
701	CCl₃I	trichloroiodomethane	ccl3i
702	CFClBrI	fluorochlorobromoiodomethane	cfclbri
703	CF₂I₂	difluorodiiodomethane	cf2i2
704	CCl₂I₂	dichlorodiiodomethane	ccl2i2
705	CBr₃I	tribromoiododmethane	cbr3i
706	GeBr₄	Germanium tetrabromide	gebr4
707	CI₄	tetraiodomethane	ci4
708	SiI₄	silicon tetraiodide	sii4
709	C₂HF₃	Trifluoroethylene	c2hf3
710	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
711	CHClCCl₂	Trichloroethylene	chclccl2
712	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
713	HClO₄	perchloric acid	hclo4
714	HSO₃F	Fluorosulfonic acid	hso3f
715	CHClCCHCl	1,3-dichloroallene	chclcchcl
716	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
717	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
718	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
719	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
720	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
721	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
722	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
723	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
724	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
725	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
726	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
727	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
728	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
729	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
730	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
731	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
732	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
733	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
734	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
735	C₄H₉F	1-fluorobutane	butaf1
736	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
737	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
738	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
739	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
740	XeF₄	Xenon tetrafluoride	xef4
741	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
742	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
743	C₆H₄	Benzyne	benzyne
744	C₆H₅	phenyl	phenyl
745	C₆H₆	2,4-Hexadiyne	hexadiyne
746	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
747	C₆H₆	Benzene	benzene
748	C₆H₆⁺	Benzene cation	c6h6+
749	C₆H₈	(E)-hexa-1,3,5-triene	c821078
750	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
751	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
752	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
753	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
754	C₆H₈	3-Methylenecyclopentene	c930267
755	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
756	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
757	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
758	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
759	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
760	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
761	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
762	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
763	C₆H₁₀	1-Hexyne	hexyne1
764	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
765	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
766	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
767	C₆H₁₀	2-Hexyne	c764352
768	C₆H₁₀	cyclohexene	cyclohexene
769	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
770	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
771	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
772	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
773	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
774	C₆H₁₂	(E)-2-Hexene	e2hexene
775	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
776	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
777	C₆H₁₂	(Z)-hex-2-ene	z2hexene
778	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
779	C₆H₁₂	3-methylenepentane	c760214
780	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
781	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
782	C₆H₁₂	Cyclohexane	cyclohexane
783	C₆H₁₂	Cyclopentane, methyl-	c96377
784	C₆H₁₂	Ethylcyclobutane	c4806615
785	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
786	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
787	C₆H₁₄	Hexane	hexane
788	C₆H₁₄	Pentane, 2-methyl-	penta2
789	C₆H₁₄	Pentane, 3-methyl-	penta3
790	C₄N₂	2-Butynedinitrile	c4n2
791	C₂H₂N₄	sym-tetrazine	ttz
792	C₃H₃N₃	1,3,5-Triazine	triazine135
793	CH₃N₅	5-Aminotetrazole	c4418615
794	C₄H₄N₂	1,3-Diazine	diazine13
795	C₄H₄N₂	Pyrazine	pyrazine
796	C₄H₄N₂	Pyridazine	pyridazine
797	C₄H₄N₂	Succinonitrile	c110612
798	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
799	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
800	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
801	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
802	C₅H₅N	E-2,4-pentadienenitrile	bdcn
803	C₅H₅N	Pyridine	pyridine
804	B₃N₃H₆	borazine	borazine
805	C₆H₆	Fulvene	fulvene
806	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
807	C₅H₇N	(E)-2-Pentenenitrile	c26294984
808	C₅H₇N	(E)-3-Pentenenitrile	c16529661
809	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
810	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
811	C₅H₇N	Cyclobutanecarbonitrile	c4426113
812	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
813	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
814	C₅H₉N	Pentanenitrile	c110598
815	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
816	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
817	C₅H₁₁N	Cyclopentanamine	cypentam
818	C₅H₁₁N	Piperidine	piper
819	C₄H₁₂N₂	1,2-Butanediamine	c4426486
820	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
821	Li₂CO₃	Lithium Carbonate	li2co3
822	C₂O₄^--	oxalate anion	c2o4
823	N₂O₄	Dinitrogen tetroxide	n2o4
824	C₂H₃NO₃	Oxamic acid	oxamic
825	C₄H₄O₂	2(5H)-Furanone	furanone
826	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
827	C₂H₄N₂O₂	Oxalamide	oxalamide
828	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
829	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
830	C₂H₄O₄	Formic acid dimer	fadimer
831	C₄H₅NO	3-Methylisoxazole	isox3m
832	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
833	C₄H₅NS	4-Methylthiazole	c693958
834	C₅H₆O	2-methylfuran	furan2m
835	C₅H₆O	3-Methylfuran	furan3m
836	C₅H₆S	Thiophene, 2-methyl-	c554143
837	C₅H₆S	Thiophene, 3-methyl-	c616444
838	C₄H₆O₂	2,3-Butanedione	c431038
839	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
840	C₄H₆O₂	Crotonic Acid	crot
841	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
842	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
843	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
844	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
845	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
846	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
847	C₄H₆OS	Vinyl sulfoxide	c1115157
848	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
849	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
850	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
851	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
852	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
853	C₄H₇NO	2-Pyrrolidinone	c616455
854	C₄H₇NO	Methacrylamide	c79390
855	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
856	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
857	C₃H₇ONO	Propyl nitrite	prono
858	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
859	CH₃CH(NH₂)COOH	Alanine	alanine
860	CH₃NHCH₂COOH	Sarcosine	sarcosine
861	NH₂CH₂CH₂COOH	β–alanine	betaalanine
862	NH₂COOC₂H₅	Urethane	urethane
863	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
864	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
865	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
866	NH₂CONHC₂H₅	Urea, ethyl-	c625525
867	C₄H₈O₂	1,3-Dioxane	dioxan13
868	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
869	C₄H₈O₂	1,4-Dioxane	dioxan14
870	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
871	C₄H₈O₂	Ethyl acetate	c141786
872	C₄H₈OS	s-Ethyl thioacetate	c625605
873	C₃H₈O₃	1,2,3-Propanetriol	glycerin
874	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
875	C₄H₉NO	Butanamide	c541355
876	C₄H₉NO	Propanamide, 2-methyl-	c563837
877	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
878	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
879	C₅H₁₀O	2-Pentanone	mpk
880	C₅H₁₀O	Cyclopentanol	c96413
881	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
882	C₅H₁₀O	Pentanal	pal
883	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
884	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
885	C₅H₁₀S	Cyclopentanethiol	c1679078
886	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
887	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
888	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
889	C₄H₁₀O₂	1,3-Butanediol	budiol13
890	C₄H₁₀O₂	1,4-Butanediol	budiol14
891	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
892	C₄H₁₀OS	Diethyl sulfoxide	c70291
893	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
894	C₄H₁₁NO	Diethylhydroxylamine	c3710847
895	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
896	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
897	C₅H₁₂O	1-Pentanol	pentanol1
898	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
899	C₅H₁₂O	2-Pentanol	peol2
900	C₅H₁₂O	3-Pentanol	pentan3ol
901	C₅H₁₂O	Butane, 1-methoxy-	meobu
902	C₅H₁₂O	Propane, 1-ethoxy-	proet
903	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
904	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
905	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
906	C₅H₁₂S	1-Pentanethiol	c110667
907	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
908	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
909	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
910	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
911	C₅H₁₂S	Ethyl propyl sulfide	c4110503
912	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
913	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
914	CF₃CN	Acetonitrile, trifluoro-	cf3cn
915	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
916	B₂F₄	Diboron tetrafluoride	b2f4
917	C₂F₄	Tetrafluoroethylene	c2f4
918	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
919	C₂FCl₃	fluorotrichloroethene	c2fcl3
920	C₂Cl₄	Tetrachloroethylene	c2cl4
921	AsF₅	Arsenic pentafluoride	asf5
922	PCl₅	Phosphorus pentachloride	pcl5
923	SbCl₅	Antimony pentachloride	sbcl5
924	BrF₅	bromine pentafluoride	brf5
925	ClF₅	chlorinepentafluoride	clf5
926	IF₅	pentafluoroiodine	if5
927	CF₃CHO	trifluoroacetaldehyde	cf3cho
928	CCl₃CHO	trichloroacetaldehyde	ccl3cho
929	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
930	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
931	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
932	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
933	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
934	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
935	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
936	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
937	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
938	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
939	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
940	C₆H₅CH₂	benzyl radical	benzyl
941	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
942	C₆H₅CH₃	toluene	toluene
943	C₇H₈	cycloheptatriene	cht
944	C₇H₈	Norbornadiene	norbor
945	C₇H₈	Quadricyclane	qucy
946	C₇H₁₆	2-methylhexane	2mhex
947	C₇H₁₆	3-methylhexane	hex3m
948	C₇H₁₆	heptane	heptane
949	C₆H₇N	2-Methylpyridine	mp
950	C₆H₅NH₂	aniline	aniline
951	C₆H₁₃N	2-Methylpiperidine	pip2m
952	C₆H₁₃N	cyclohexanamine	cham
953	C₆H₁₅N	triethylamine	tea
954	N₂O₅	Dinitrogen pentoxide	n2o5
955	C₄H₂O₃	Maleic Anhydride	malan
956	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
957	C₅H₄O₂	furfural	furfural
958	C₆H₅O	phenoxy radical	phenoxy
959	C₅H₅NO	2(1H)-Pyridinone	c72762006
960	C₅H₅NO	2(3H)-Pyridinone	c9000048
961	C₅H₅NO	2(5H)-Pyridinone	c9000037
962	C₅H₅NO	2-Pyridinol	c109104
963	C₅H₅NO	3(2H)-Pyridinone	c9000004
964	C₅H₅NO	3(4H)-Pyridinone	c9000026
965	C₅H₅NO	3(6H)-Pyridinone	c9000015
966	C₅H₅NO	3-Pyridinol	c109002
967	C₅H₅NO	4(1H)-Pryidinone	c9000060
968	C₅H₅NO	4(3H)-Pryidinone	c9000059
969	C₅H₅NO	4-Pyridinol	c626642
970	C₆H₅OH	phenol	phenol
971	C₆H₆O	2,4-Cyclohexadienone	c24599573
972	C₆H₅SH	Benzenethiol	phsh
973	C₄H₈O₂S	Sulfolane	sulfolane
974	CH(C₂H₃)₃	trivinyl methane	tvm
975	C₆H₁₀O	cyclohexanone	chexo
976	C₆H₁₂O	hexanal	c6h12o
977	C₃H₇OC₃H₇	di-n-propyl ether	propr
978	CF₃COCl	trifluoroacetyl chloride	cf3cocl
979	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
980	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
981	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
982	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
983	C₆H₅F	Fluorobenzene	bzf
984	C₆H₅Cl	chlorobenzene	bzcl
985	C₆H₅Br	bromobenzene	bzbr
986	C₆H₅CCH	phenylacetylene	phac
987	C₆H₅CHCH₂	Styrene	styrene
988	C₈H₈	cubane	cubane
989	C₈H₈	cyclooctatetraene	cot
990	C₆H₅CH₂CH₃	Ethylbenzene	etbz
991	CH₃C₆H₄CH₃	meta-xylene	mxylene
992	CH₃C₆H₄CH₃	paraxylene	pxylene
993	C₈H₁₆	cyclooctane	cyclooct
994	C₈H₁₈	Octane	c8h18
995	C₆H₅CN	phenyl cyanide	phcn
996	C₄O₄^--	squarate dianion	c4o4--
997	S₈	Octasulfur	s8
998	C₆H₄O₂	parabenzoquinone	pbq
999	C₄H₄N₂O₂	Uracil	uracil
1000	C₆H₅OCH₃	Anisole	anisole
1001	C₆H₁₂O₂	Methyl pivalate	c598981
1002	C₆H₁₂O₂	Hexanoic acid	hexa
1003	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1004	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1005	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1006	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1007	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1008	C₂F₆	hexafluoroethane	c2f6
1009	IF₇	Iodine heptafluoride	if7
1010	C₆H₄F₂	metadifluorobenzene	mdfb
1011	C₆H₄F₂	orthodifluorobenzene	odfb
1012	C₆H₄F₂	1,4-difluorobenzene	pdfb
1013	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1014	C₉H₁₂	n-propyl benzene	prbz
1015	C₅H₄N₄	purine	purine
1016	C₈H₇N	Indole	indole
1017	C₆H₅NO₂	Nitrobenzene	c6h5no2
1018	C₆H₅COOH	benzoic acid	benzo
1019	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1020	C₁₀H₁₆	adamantane	adamantane
1021	C₆N₄	Tetracyanoethylene	tcne
1022	C₆N₄^-	tetracyanoethylene anion	tcne-
1023	C₁₀H₂₂	Decane	decane
1024	C₄F₆	perfluorobutadiene	c4f6
1025	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1026	C₃F₈	perfluoropropane	c3f8
1027	Fe(CO)₅	Iron pentacarbonyl	ipc
1028	Fe(C₅H₅)₂	ferrocene	fecp2
1029	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1030	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1031	C₁₂H₈	Acenaphthylene	acenaph
1032	C₁₂H₁₀	biphenyl	biphenyl
1033	C₆H₁₂O₆	Inositol	inositol
1034	C₆F₆	hexafluorobenzene	c6f6
1035	C₁₃H₁₀	Fluorene	fluorene
1036	C₁₄H₁₀	Anthracene	anth
1037	C₁₄H₁₀	Phenanthrene	phenanthrene
1038	C₁₄H₁₄	Bibenzyl	bibenzyl
1039	C₁₆H₁₀	Pyrene	pyrene
1040	C₁₈H₁₂	Tetracene	tetracene
1041	C₁₉H₁₆	Triphenylmethane	tpm
1042	C₂₄H₁₂	Coronene	coronene
1043	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