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

List of which calculations are completed at CCSD=FULL /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	CaH	Calcium monohydride	²Σ	C_∞v
27	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
28	TiH	Titanium monohydride	⁴Φ	C_∞v
29	ZnH⁺	Zinc, protonated
30	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
31	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
32	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
33	BeH₂⁺	Beryllium dihydride cation
34	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
35	B	Boron atom	²P	K_h
36	B	Boron atom	⁴P	K_h
37	B⁺	Boron atom cation	¹S	K_h
38	Al	Aluminum atom	²P	K_h
39	Al^-	Aluminum atom anion	³P	K_h
40	Al⁺	Aluminum atom cation	¹S	K_h
41	Sc	Scandium atom	²D	K_h
42	Sc⁺	Scandium cation	³D	K_h
43	Ga	Gallium atom	²P
44	Ga^-	Gallium atom anion	³P	O_h
45	Ga⁺	Gallium atom cation	¹S
46	BH	Boron monohydride	¹Σ	C_∞v
47	BH	Boron monohydride	³Π	C_∞v
48	BH^-	boron monohydride anion	⁴Σ	C_∞v
49	ScH	Scandium monohydride	¹Σ	C_∞v
50	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
51	GaH	Gallium monohydride	¹Σ	C_∞v
52	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
53	BH₂^-	boron dihydride anion	³B₁	C_2v
54	BH₂^-	boron dihydride anion	¹A₁	C_2v
55	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
56	BH₃	boron trihydride	¹A₁^'	D_3h
57	BH₃⁺	boron trihydride cation	²B₂	C_2v
58	BH₃⁺	boron trihydride cation		C_2v
59	AlH₃	aluminum trihydride	¹A₁^'	D_3h
60	AlH₃^-	aluminum trihydride anion		C_3v
61	ScH₃	Scandium trihydride	¹A₁^'	D_3h
62	ScH₃	Scandium trihydride	¹A₁	C_3v
63	GaH₃	Gallium trihydride	¹A₁^'	D_3h
64	BH₄	borohydride	²B₂	C_2v
65	BH₄^-	borohydride anion	¹A₁	T_d
66	C	Carbon atom	³P₀	K_h
67	C	Carbon atom	³P₁	K_h
68	C^-	Carbon atom anion	²D	K_h
69	C⁺	Carbon atom cation	²P	K_h
70	Si	Silicon atom	³P	K_h
71	Si	Silicon atom	¹S	K_h
72	Si^-	Silicon atom anion	⁴S	K_h
73	Si⁺	Silicon atom cation	²P	K_h
74	Ge	Germanium atom	³P	K_h
75	Ge^-	Germanium anion	⁴S	K_h
76	Ge⁺	Germanium cation	²P	K_h
77	CH	Methylidyne	²Π_1/2	C_∞v
78	SiH	Silylidyne	²Π	C_∞v
79	SiH^-	silicon monohydride anion	³Σ	C_∞v
80	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
81	GeH	germylidene	²Π	C_∞v
82	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
83	CH₂	Methylene	³B₁	C_2v
84	CH₂	Methylene	³Σ_G	D_∞h
85	CH₂	Methylene	¹A₁	C_2v
86	CH₂^-	methylene anion	²B₁	C_2v
87	CH₂⁺	methylene cation	²A₁	C_2v
88	CH₂⁺	methylene cation	²Π	D_∞h
89	SiH₂	silicon dihydride	¹A₁	C_2v
90	SiH₂	silicon dihydride	³B₁	C_2v
91	GeH₂	germylene	¹A₁	C_2v
92	GeH₂^-	germylene anion	²B₁	C_2v
93	CH₃^-	methyl anion	¹A₁	C_3v
94	CH₃⁺	methyl cation	¹A₁^'	D_3h
95	SiH₃	Silyl radical	²A₁	C_3v
96	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
97	GeH₃	Germyl radical	²A₁	C_3v
98	GeH₃⁺	germyl cation	¹A₁^'	D_3h
99	CD₄	methane-d4	¹A₁	T_d
100	CH₂D₂	methane-d2	¹A₁	C_2v
101	CH₃D	methane-d	¹A₁	C_3v
102	CH₄	Methane	¹A₁	T_d
103	CH₄^-	Methane anion	²A₁	T_d
104	CH₄^-	Methane anion	²A₁	C_3v
105	CHD₃	methane-d3	¹A₁	C_3v
106	SiH₂D₂	silane-d2
107	SiH₄	Silane	¹A₁	T_d
108	GeH₄	Germane	¹A₁	T_d
109	SiH₅⁺	Silane, protonated
110	N	Nitrogen atom	⁴S	K_h
111	N	Nitrogen atom	²D	K_h
112	N⁺	Nitrogen atom cation	³P	K_h
113	P	Phosphorus atom	⁴S	K_h
114	V	Vanadium atom	⁴F	K_h
115	V⁺	Vanadium atom cation	⁵D	K_h
116	As	Arsenic atomic	⁴S	K_h
117	As^-	Arsenic anion	³P	K_h
118	As⁺	Arsenic cation	³P	K_h
119	PH	phosphorus monohydride	³Σ^-	C_∞v
120	AsH	Arsenic monohydride	³Σ	C_∞v
121	AsH	Arsenic monohydride	¹Σ	C_∞v
122	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
123	NH₂	Amino radical	²B₁	C_2v
124	NH₂⁺	Amino cation	³B₁	C_2v
125	NH₂⁺	Amino cation	¹A₁	C_2v
126	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
127	NH₃	Ammonia	¹A₁	C_3v
128	NH₃^-	Ammonia anion	²A₁	C_3v
129	NH₃⁺	ammonia cation	²A₂^"	D_3h
130	PH₃	Phosphine	¹A₁	C_3v
131	PH₃⁺	Phosphine cation	²A₁	C_3v
132	AsH₃	Arsine	¹A₁	C_3v
133	AsH₃⁺	Arsine cation	²A₁	C_3v
134	AsH₄⁺	Arsonium
135	NH₄	Ammonium radical
136	NH₄⁺	ammonium cation	¹A₁	T_d
137	PH₄	Phosphoranyl radical
138	PH₄⁺	phosphonium cation
139	O	Oxygen atom	³S	K_h
140	O⁺	Oxygen atom cation	⁴S	K_h
141	S	Sulfur atom	³P	K_h
142	S	Sulfur atom
143	S^-	Sulfur atom anion	²P	K_h
144	S⁺	Sulfur atom cation	⁴S	K_h
145	Se	Selenium atom	³P	K_h
146	Se^-	Selenium atom anion	²P	K_h
147	Se⁺	Selenium atom cation	⁴S	K_h
148	OH	Hydroxyl radical	²Π	C_∞v
149	OH^-	hydroxide anion	¹Σ	C_∞v
150	OH⁺	hydoxyl cation	³Σ	C_∞v
151	HS	Mercapto radical	²Π	C_∞v
152	HS^-	mercapto anion	¹Σ	C_∞v
153	HS⁺	sulfur monohydride cation	³Σ	C_∞v
154	CrH	Chromium hydride	⁶Σ	C_∞v
155	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
156	HSe	Selenium monohydride	²Π	C_∞v
157	HSe^-	selenium monohydride anion	¹Σ	C_∞v
158	HSe⁺	selenium monohydride cation	³Σ	C_∞v
159	H₂O	Water	¹A₁	C_2v
160	H₂O^-	water anion	²A₁	C_2v
161	H₂O^-	water anion	²A^'	C_s
162	H₂O⁺	water cation	²B₁	C_2v
163	HDO	Water-d1	¹A₁	C_2v
164	H₂S	Hydrogen sulfide	¹A₁	C_2v
165	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
166	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
167	H₂Se	Hydrogen selenide	¹A₁	C_2v
168	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
169	H₃O⁺	hydronium cation	¹A₁	C_3v
170	H₃S⁺	Sulfonium cation	¹A₁	C_3v
171	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
172	F	Fluorine atom	²P	K_h
173	F^-	Fluorine atom anion	¹S	K_h
174	F⁺	Fluorine atom cation	³S	K_h
175	F⁺	Fluorine atom cation	¹D	K_h
176	Cl	Chlorine atom	²P	K_h
177	Cl^-	Chlorine atom anion	¹S	K_h
178	Cl⁺	Chlorine atom cation	³P	K_h
179	Cl⁺	Chlorine atom cation	¹D	K_h
180	Br	Bromine atom	²P	K_h
181	Br^-	Bromine atom anion	¹S	K_h
182	Br⁺	Bromine atom cation	³P	K_h
183	HF	Hydrogen fluoride	¹Σ	C_∞v
184	HF^-	hydrogen fluoride anion	²Σ	C_∞v
185	HF⁺	hydrogen fluoride cation	²Π	C_∞v
186	HCl	Hydrogen chloride	¹Σ	C_∞v
187	HCl^-	hydrogen chloride anion	²Σ	C_∞v
188	HCl⁺	hydrogen chloride cation	²Π	C_∞v
189	HBr	hydrogen bromide	¹Σ	C_∞v
190	HBr^-	hydrogen bromide anion	²Σ	C_∞v
191	HBr⁺	hydrogen bromide cation	²Π	C_∞v
192	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
193	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
194	Ne	Neon atom	¹S	K_h
195	Ne	Neon atom
196	Ne⁺	Neon atom cation	²P	K_h
197	Ar	Argon atom	¹S	K_h
198	Kr	Krypton atom	¹S	K_h
199	Kr⁺	Krypton cation	²P	K_h
200	HeLi⁺	Helium Lithium cation
201	NeH	neon hydrogen	²Σ	C_∞v
202	ArH⁺	Argon hydride cation	¹Σ	C_∞v
203	KrH⁺	Protonated Krypton	¹Σ	C_∞v
204	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
205	Li₂	Lithium diatomic	¹Σ_g	D_∞v
206	NaLi	lithium sodium	¹Σ	C_∞v
207	Na₂	Sodium diatomic	¹Σ_g	D_∞h
208	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
209	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
210	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
211	Be₂	Beryllium diatomic	³Π_g	D_∞h
212	BeMg	Beryllium Magnesium	¹Σ	C_∞v
213	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
214	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
215	LiB	Lithium boride	³Π	C_∞v
216	LiAl	Lithium Aluminum
217	NaAl	Sodium aluminum	¹Σ	C_∞v
218	BeB	Beryllium monoboride	²Π	C_∞v
219	B₂	Boron diatomic	³Σ_g	D_∞h
220	B₂	Boron diatomic	¹Σ_g	D_∞h
221	B₂	Boron diatomic	⁵Σ_u	D_∞h
222	B₂⁺	Boron diatomic cation	²Π	D_∞h
223	BAl	Boron Aluminum	³Σ	C_∞v
224	BGa	Boron Gallium	³Σ	C_∞v
225	AlGa	Aluminum Gallium	³Σ	C_∞v
226	AlGa	Aluminum Gallium	¹Σ	C_∞v
227	Ga₂	Gallium diatomic	³P_iu
228	HBBH	Diborane(2)	³Σ_G	D_∞h
229	LiBH₄	Lithium borohydride	¹A₁	C_3v
230	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
231	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
232	B₂H₆	Diborane	¹A_g	D_2h
233	B₂H₆⁺	Diborane cation
234	Al₂H₆	dialane	¹A_G	D_2h
235	Ga₂H₆	digallane	¹A_G	D_2h
236	LiC	Lithium Carbide	⁴Σ	C_∞v
237	BeC	Beryllium Carbide	³Σ^-	C_∞v
238	BeC	Beryllium Carbide
239	CaC	Calcium monocarbide
240	BC	boron monocarbide	⁴Σ^-	C_∞v
241	AlC	Aluminum carbide	⁴Σ	C_∞v
242	BSi	Boron silicide	⁴Σ	C_∞v
243	BSi	Boron silicide	²Σ	C_∞v
244	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
245	C₂	Carbon diatomic	³Σ_g^-
246	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
247	SiC	silicon monocarbide	³Σ	C_∞v
248	SiC	silicon monocarbide	¹Σ	C_∞v
249	GeC	Germanium monocarbide	¹Σ	C_∞v
250	SiGe	Silicon Germanium
251	C₂H	Ethynyl radical	²Σ	C_∞v
252	C₂H^-	Ethynyl anion	¹Σ	C_∞v
253	C₂H₂	Acetylene	¹Σ_g	D_∞h
254	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
255	C₂H₂⁺	acetylene cation
256	CCH₂	vinylidene	³B₂	C_2v
257	H₂CC^-	vinylidene anion
258	HCCH^-	acetylene anion
259	HCCH^-	acetylene anion
260	Si₂H₂	disilyne
261	Si₂H₂	disilyne
262	Si₂H₂	disilyne
263	Si₂H₂	disilyne
264	CH₃Li	methyl lithium	¹A₁	C_3v
265	CH₂BH	methyleneborane	¹A₁	C_2v
266	C₂H₃	vinyl	²A^'	C_s
267	C₂H₃^-	vinyl anion	¹A^'	C_s
268	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
269	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
270	C₂H₄	Ethylene	¹A_g	D_2h
271	C₂H₄^-	Ethylene anion	²A_g	C_2h
272	C₂H₄⁺	Ethylene cation	²B₃	D₂
273	Si₂H₄	Disilene
274	Si₂H₄	Disilene
275	Si₂H₄	Disilene
276	CH₃BH₂	methylborane	¹A^'	C_s
277	C₂H₅	Ethyl radical	²A^'	C_s
278	C₂H₅^-	Ethyl anion	¹A^'	C_s
279	C₂H₆	Ethane	¹A_1g	D_3d
280	C₂H₆	Ethane	¹A₁^'	D_3h
281	Si₂H₆	disilane	¹E_u	D_3d
282	LiN	Lithium Nitride	³Σ	C_∞v
283	LiP	Lithium monophosphide
284	LiP	Lithium monophosphide
285	BeN	Beryllium mononitride	⁴Σ	C_∞v
286	BeN	Beryllium mononitride	²Π	C_∞v
287	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
288	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
289	MgN	Magnesium Nitride
290	MgN	Magnesium Nitride
291	BP	Boron monophosphide	³Π	C_∞v
292	BP	Boron monophosphide	¹Σ	C_∞v
293	AlP	Aluminum monophosphide	³Σ	C_∞v
294	AlP	Aluminum monophosphide	³Π	C_∞v
295	AlP	Aluminum monophosphide	¹Σ	C_∞v
296	GaN	Gallium mononitride	³Π	C_∞v
297	GaN	Gallium mononitride	¹Σ	C_∞v
298	GaP	Gallium monophosphide	³Σ	C_∞v
299	GaP	Gallium monophosphide	¹Σ	C_∞v
300	GaAs	Gallium arsenide	³Π
301	GaAs	Gallium arsenide	¹Σ
302	BN	boron nitride	³Π	C_∞v
303	BN	boron nitride	¹Σ	C_∞v
304	CN	Cyano radical	²Σ	C_∞v
305	CN^-	cyanide anion	¹Σ	C_∞v
306	SiP	Silicon monophosphide	²Π	C_∞v
307	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
308	N₂	Nitrogen diatomic
309	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
310	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
311	PN	Phosphorus mononitride	¹Σ	C_∞v
312	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
313	AsN	Arsenic mononitride	¹Σ	C_∞v
314	AsP	Arsenic monophosphide	¹Σ	C_∞v
315	HCN	Hydrogen cyanide	¹Σ	C_∞v
316	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
317	HNC⁺	hydrogen isocyanide cation
318	HCP⁺	Phosphaethyne cation
319	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
320	LiNH₂	lithium amide
321	HBNH	Boranimine	¹Σ	C_∞v
322	CNH₂	Aminomethylidyne radical	²B₂	C_2v
323	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
324	HCNH	methyleneazane	²A^'	CS cis
325	HCNH	methyleneazane	²A^'	CS trans
326	H₂NN	Isodiazene
327	N₂H₂	(E)-diazene	¹A_g	C_2h
328	N₂H₂	(Z)-Diazene	¹A₁	C_2v
329	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
330	CH₂NH	Methanimine	¹A^'	C_s
331	CH₂NH⁺	Methanimine cation
332	CHNH₂	aminomethylene
333	CHNH₂⁺	Aminocarbene cation
334	CH₂PH	Phosphaethene	¹A^'	C_s
335	BH₂NH₂	Boranamine
336	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
337	N₂H₄	Hydrazine	¹A	C₂
338	N₂H₄⁺	hydrazine cation	²A_G	C_2h
339	CH₃NH₂	methyl amine	¹A^'	C_s
340	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
341	SiH₃NH₂	Silane, amino
342	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
343	BH₃PH₃	borane phosphine
344	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
345	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
346	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
347	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
348	N₂H₇⁺	ammonia ammonium dimer
349	LiO	lithium oxide	²Σ	C_∞v
350	LiS	Lithium monosulfide	²Π	C_∞v
351	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
352	NaO	sodium monoxide	²Σ	C_∞v
353	NaS	Sodium sulfide	²Π	C_∞v
354	LiSe	Lithium monoselenide
355	BeO	beryllium oxide	¹Σ	C_∞v
356	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
357	CaO	Calcium monoxide	¹Σ	C_∞v
358	CaS	Calcium sulfide	¹Σ	C_∞v
359	BO	boron monoxide	²Σ	C_∞v
360	ScO	Scandium monoxide	²Σ	C_∞v
361	GaO	Gallium monoxide	²Σ	C_∞v
362	GaS	Gallium monosulfide
363	CO	Carbon monoxide	¹Σ	C_∞v
364	CO^-	carbon monoxide anion	²Π	C_∞v
365	CO⁺	carbon monoxide cation	²Σ	C_∞v
366	SiO	Silicon monoxide	¹Σ	C_∞v
367	SiS	silicon monosulfide	¹Σ	C_∞v
368	TiO	Titanium monoxide	³Δ	C_∞v
369	CSe	Carbon monoselenide	¹Σ	C_∞v
370	GeO	Germanium monoxide	¹Σ	C_∞v
371	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
372	GeS	Germanium monosulfide	¹Σ	C_∞v
373	SiSe	Silicon Monoselenide
374	SiSe⁺	Silicon Monoselenide cation
375	GeSe	Germanium monoselenide
376	NO	Nitric oxide	²Π	C_∞v
377	NO^-	nitric oxide anion	³Σ	C_∞v
378	NO⁺	nitric oxide cation	¹Σ	C_∞v
379	NS	Mononitrogen monosulfide	²Π	C_∞v
380	NS^-	nitrogen sulfide anion	³Σ	C_∞v
381	PO	Phosphorus monoxide	²Π	C_∞v
382	PS	phosphorus sulfide	²Σ	C_∞v
383	VO	Vanadium monoxide	⁴Σ^-
384	NSe	Nitrogen monoselenide	²Π	C_∞v
385	AsS	Arsenic monosulfide	²Π	C_∞v
386	PSe	Phosphorus monoselenide	²Π	C_∞v
387	AsSe	Arsenic monoselenide	²Π	C_∞v
388	O₂	Oxygen diatomic	³Σ_g	D_∞h
389	O₂	Oxygen diatomic	¹Δ_g	D_∞h
390	O₂^-	oxygen diatomic anion	²Π	D_∞h
391	O₂^--	dioxygen dianion
392	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
393	SO	Sulfur monoxide	³Σ	C_∞v
394	SO	Sulfur monoxide	¹Σ	C_∞v
395	SO⁺	sulfur monoxide cation	²Π	C_∞v
396	S₂	Sulfur diatomic	³Σ_g	D_∞h
397	SeO	Selenium monoxide	³Σ	C_∞v
398	Se₂	Selenium diatomic	³Σ_g	D_∞h
399	LiOH	lithium hydroxide	¹Σ	C_∞v
400	BeOH	beryllium monohydroxide	²A^'	C_s
401	BeOH	beryllium monohydroxide	²Σ	C_∞v
402	HBO	Boron hydride oxide	¹Σ	C_∞v
403	HBS	hydrogen boron sulfide	¹Σ	C_∞v
404	COH	Hydroxymethylidyne
405	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
406	HCO	Formyl radical	²A^'	C_s
407	HCO^-	formyl anion	¹A^'	C_s
408	HCO⁺	Formyl cation	¹Σ	C_∞v
409	HNO	Nitrosyl hydride	¹A^'	C_s
410	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
411	NOH	Hydroxyimidogen	³A^"	C_s
412	NOH⁺	O-protonated nitric oxide	²A^'	C_s
413	HO₂	Hydroperoxy radical	²A^"	C_s
414	HO₂⁺	Hydroperoxy cation	³A^"	C_s
415	HSO⁺	Sulfur Monoxide, S-protonated
416	SOH	Sulfur Hydroxide
417	SOH⁺	Sulfur Monoxide, protonated
418	HS₂	Thiosulfeno radical	²A^"	C_s
419	H₂CO	Formaldehyde	¹A₁	C_2v
420	H₂CO^-	formaldehyde anion	²A^'	C_s
421	H₂CO^-	formaldehyde anion
422	H₂CO⁺	formaldehyde cation	²B₂	C_2v
423	HOCH	hydroxycarbene	¹A^'	CS trans
424	HOCH	hydroxycarbene	¹A^'	CS cis
425	H₂CS	Thioformaldehyde	¹A₁	C_2v
426	H₂CS^-	thioformaldehyde anion
427	H₂CS^-	thioformaldehyde anion
428	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
429	H₂CSe	Selenoformaldehyde
430	H₂NO	nitroxide	²B₁	C_2v
431	H₂NO	nitroxide	²A^'	C_s
432	H₂O₂	Hydrogen peroxide	¹A	C₂
433	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
434	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
435	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
436	H₂OO	water oxide
437	HOSH	hydrogen thioperoxide
438	H₂S₂	Disulfane	¹A	C₂
439	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
440	H₂Se₂	hydrogen diselenide
441	CH₂OH	Hydroxymethyl radical	²A	C₁
442	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
443	CH₃O^-	methoxy anion	¹A₁	C_3v
444	CH₃O⁺	Methoxy cation	³A₁	C_3v
445	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
446	NH₂OH	hydroxylamine	¹A^'	C_s
447	NH₂OH⁺	Hydroxylamine cation
448	NH₃O	Ammonia Oxide	¹A₁	C_3v
449	H₂POH	Phosphinous acid	¹A₁^'	CS trans
450	H₂POH	Phosphinous acid	¹A₁^'	CS cis
451	H₃PO	Phosphine oxide	¹A₁	C_3v
452	NH₂SH	Thiohydroxylamine
453	NH₂SH	Thiohydroxylamine
454	NH₃S	sulfidoazane
455	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
456	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
457	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
458	CH₃OH⁺	Methyl alcohol cation	²A	C₁
459	CH₃SH	Methanethiol	¹A^'	C_s
460	CH₃SH⁺	Methanethiol cation	²A^"	C_s
461	SiH₃OH	silanol
462	NH₂OH₂⁺	protonated hydroxylamine
463	NH₃OH⁺	N-protonated hydroxylamine
464	H₂OH₂O	water dimer	¹A^'	C_s
465	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
466	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
467	LiF	lithium fluoride	¹Σ	C_∞v
468	LiCl	lithium chloride	¹Σ	C_∞v
469	NaF	sodium fluoride	¹Σ	C_∞v
470	NaF⁺	sodium fluoride cation	²Σ	C_∞v
471	NaCl	Sodium Chloride	¹Σ	C_∞v
472	LiBr	Lithium Bromide	¹Σ	C_∞v
473	LiF⁺	lithium fluoride cation	²Π	C_∞v
474	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
475	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
476	TiCl	Titanium Monochloride	⁴Σ	C_∞v
477	ZnF	Zinc monofluoride	²Σ	C_∞v
478	CaBr	Calcium monobromide
479	BF	Boron monofluoride	¹Σ	C_∞v
480	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
481	AlCl	Aluminum monochloride	¹Σ	C_∞v
482	ScF	Scandium monofluoride	¹Σ	C_∞v
483	BBr	Boron monobromide	¹Σ	C_∞v
484	GaF	Gallium monofluoride	¹Σ	C_∞v
485	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
486	AlBr	Aluminum monobromide
487	GaCl	Gallium monochloride	¹Σ_G	C_∞v
488	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
489	GaBr	Gallium monobromide
490	CF	Fluoromethylidyne	²Π	C_∞v
491	SiF	silicon monofluoride	²Π	C_∞v
492	SiF^-	silicon monofluoride anion	³Σ	C_∞v
493	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
494	SiCl	Clorosilylidyne	²Π	C_∞v
495	CBr	Carbon monobromide	²Π	C_∞v
496	GeF	Germanium monofluoride	²Π	C_∞v
497	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
498	GeCl	Germanium monochloride	²Π	C_∞v
499	GeCl⁺	Germanium monochloride cation
500	SiBr	Silicon monobromide	²Π	C_∞v
501	SiBr⁺	Silicon monobromide cation
502	NCl	nitrogen monochloride	³Σ	C_∞v
503	AsF	Arsenic monofluoride	³Σ	C_∞v
504	AsF	Arsenic monofluoride	¹Δ	C_∞v
505	NBr	nitrogen monobromide	³Σ^-	C_∞v
506	AsCl	Arsenic monochloride	³Σ	C_∞v
507	PBr	Phosphorus monobromide
508	FO	Oxygen monofluoride	²Π	C_∞v
509	ClO	Monochlorine monoxide	²Π	C_∞v
510	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
511	SF	Monosulfur monofluoride	²Π	C_∞v
512	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
513	SCl	sulfur monochloride	²Π	C_∞v
514	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
515	BrO	Bromine monoxide	²Π	C_∞v
516	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
517	BrO⁺	Bromine monoxide cation
518	SeF	Selenium monofluoride	²Π	C_∞v
519	SBr	Sulfur monobromide radical
520	SBr⁺	Sulfur monobromide cation
521	SeCl	Selenium monochloride	²Π	C_∞v
522	SeBr	Selenium monobromide
523	BrCl	Bromine monochloride	¹Σ	C_∞v
524	F₂	Fluorine diatomic	¹Σ_g	D_∞h
525	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
526	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
527	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
528	ClF⁺	clorine monofluoride cation	²Π	C_∞v
529	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
530	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
531	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
532	BrF	Bromine monofluoride	¹Σ	C_∞v
533	Br₂	Bromine diatomic	¹Σ_g	D_∞h
534	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
535	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
536	HCF	Fluoromethylene	¹A^'	C_s
537	HCF	Fluoromethylene	³A^"	C_s
538	HCCl	Chloromethylene	¹A^'	C_s
539	HCCl	Chloromethylene	³A^"	C_s
540	HSiF	fluorosilylene
541	HSiCl	Chlorosilylene
542	HSiBr	monobromosilylene
543	HOF	Hypofluorous acid	¹A^'	C_s
544	HOCl	hypochlorous acid	¹A^'	C_s
545	HOCl⁺	hypochlorous acid cation
546	HOBr	Hypobromous acid	¹A^'	C_s
547	HOBr⁺	Hypobromous acid cation	²A^"	C_s
548	F₂H⁺	Fluorine, protonated	¹A^'	C_s
549	ClFH⁺	Chlorine fluoride, F-protonated
550	FClH⁺	Chlorine fluoride, Cl-protonated
551	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
552	CH₂Br	bromomethyl radical
553	CH₂F	fluoromethyl radical	²A	C_s
554	CH₂F⁺	fluoromethyl cation
555	CH₂Cl⁺	chloromethyl cation
556	CH₂Cl	chloromethyl radical	²A^'	C_s
557	CH₂Cl	chloromethyl radical	²B₁	C_2v
558	NH₂Cl	chloramine	¹A^'	C_s
559	CH₃F⁺	methyl fluoride cation
560	CD₃F	methylfluoride-d3	¹A₁	C_3v
561	CH₃F	Methyl fluoride	¹A₁	C_3v
562	CD₃Cl	methyl chloride d3	¹A₁	C_3v
563	CH₃Cl	Methyl chloride	¹A₁	C_3v
564	SiH₃F	monofluorosilane	¹A₁	C_3v
565	SiH₃Cl	chlorosilane	¹A₁	C₁
566	CH₃Br	methyl bromide	¹A₁	C_3v
567	GeH₃F	monofluorogermane
568	GeH₃Cl	monochlorogermane
569	SiH₃Br	bromosilane	¹A₁	C_3v
570	NH₃Cl⁺	protonated monochloroammonia
571	CH₃ClH⁺	methyl chloride, protonated
572	NH₄Cl	Ammonium chloride
573	LiNe⁺	Lithium Neon cation
574	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
575	Ar₂	Argon diatomic	¹S_g	D_∞h
576	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
577	Li₃	Lithium trimer	²B₂	C_2v
578	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
579	C₃	carbon trimer	¹Σ_g	D_∞h
580	C₃	carbon trimer	¹A₁	C_2v
581	SiC₂	Silicon dicarbide
582	C₃H₃	cyclopropenyl radical	²A^'	C_s
583	C₃H₄	cyclopropene	¹A₁	C_2v
584	CH₂CCH₂	allene	¹A₁	D_2d
585	CH₃CCH	propyne	¹A^'	C_3v
586	C₃H₅	Allyl radical	²A₂	C_2v
587	C₃H₅	Allyl radical	²A^"	C_s
588	CH₃CHCH	1-propenyl radical	²A^'	C_s
589	C₃H₆	Cyclopropane	¹A₁^'	D_3h
590	CH₂CHCH₃	Propene	¹A^'	C_s
591	C₃H₇	n-Propyl radical	²A^"	C₁
592	CH₃CHCH₃	Isopropyl radical	²A	C₂
593	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
594	C₃H₈	Propane	¹A₁	C_2v
595	Si₃H₈	trisilane
596	LiCN	lithium cyanide	¹Σ	C*V LiCN
597	LiCN	lithium cyanide	¹A^'	C_s
598	LiCN	lithium cyanide	¹Σ	C*V LiNC
599	NaCN	Sodium Cyanide	¹Σ	C_∞v
600	NaCN	Sodium Cyanide	¹A	C_s
601	NaCN	Sodium Cyanide	¹Σ	C_∞v
602	ZnCN	Zinc monocyanide	²Σ	C_∞v
603	ZnNC	Zinc isocyanide	²Σ	C_∞v
604	AlCN	Aluminum monocyanide
605	AlNC	Aluminum isocyanide
606	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
607	CNN	Diazocarbene
608	NCN	Cyanoimidogen	³Σ_g	D_∞h
609	NCN	Cyanoimidogen	¹Σ_g	D_∞h
610	N₃	azide radical	²Π_g	D_∞h
611	N₃⁺	azide cation	³Σ_g	D_∞h
612	N₃⁺	azide cation	³Σ	C_∞v
613	HCCN	cyanomethylene	³A^"	C_s
614	HCCN	cyanomethylene	³Σ	C_∞v
615	HCCN	cyanomethylene
616	HN₃	hydrogen azide	¹A^'	C_s
617	HN₃⁺	Hydrazoic acid cation
618	HNCNH	diiminomethane	¹A	C₂
619	NH₂CN	cyanamide	¹A₁	C_2v
620	HNNNH⁺	1,2-Triazadienium
621	NH₂NN⁺	hydrazoic acid, protonated
622	CH₃CN	Acetonitrile	¹A₁	C_3v
623	CH₃CN^-	acetonitrile anion	²E	C_3v
624	CH₃CN^-	acetonitrile anion	²A^'	C_s
625	CHNCH₂	2H-Azirine
626	CHNHCH	1H-Azirine
627	H₂CCNH	Ethenimine
628	H₂CNCH	methyleneaminomethylene
629	HCCNH₂	Ethynamine
630	HCNCH₂⁺	2H-Azirine cation
631	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
632	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
633	NH₂CNH⁺	cyanamide, cn protonated
634	NH₃CN⁺	cyanamide, amine protonated
635	CH₂CHNH	vinylazine	²A^"	CS cis
636	CH₂CHNH	vinylazine	²A^"	CS trans
637	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
638	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
639	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
640	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
641	CH₃CH₂NH₂	Ethylamine
642	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
643	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
644	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
645	Li₂O	dilithium oxide	¹Σ_g	D_∞h
646	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
647	Li₂S	dilithium sulfide	¹A₁	C_2v
648	Na₂O	disodium monoxide	¹Σ_g	Linear
649	Na₂O	disodium monoxide	¹A₁	C_2v
650	Na₂S	Sodium sulfide
651	Na₂S	Sodium sulfide
652	LiO₂	Lithium dioxide
653	NaO₂	Sodium superoxide
654	CCO	Dicarbon monoxide	³Σ	C_∞v
655	CCO	Dicarbon monoxide	¹Π	C_∞v
656	NCO	isocyanato radical	²Π	C_∞v
657	N₂O	Nitrous oxide	¹Σ	C_∞v
658	N₂O^-	Nitrous oxide anion	²A^'	C_s
659	NNS	Nitrogen sulfide	¹Σ	C_∞v
660	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
661	CO₂	Carbon dioxide	¹Σ_g	D_∞h
662	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
663	OCS	Carbonyl sulfide	¹Σ	C_∞v
664	CS₂	Carbon disulfide	¹Σ_g	D_∞h
665	CS₂^-	Carbon disulfide anion	²A₁	C_2v
666	TiO₂	Titanium dioxide	¹A₁	C_2v
667	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
668	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
669	OCSe	Carbonyl selenide	¹Σ	C_∞v
670	SCSe	Carbon sulfide selenide
671	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
672	CSe₂	Carbon diselenide	¹A₁	D_∞h
673	NO₂	Nitrogen dioxide	²A₁	C_2v
674	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
675	NSO	sulfinyl amidogen
676	SNO	Nitrogen oxide sulfide
677	AsO₂	Aresenic dioxide	²A₁	C_2v
678	O₃	Ozone	¹A₁	C_s
679	SO₂	Sulfur dioxide	¹A₁	C_2v
680	SSO	Disulfur monoxide	¹A^'	C_s
681	S₃	Sulfur trimer	¹A₁	C_2v
682	S₃	Sulfur trimer
683	S₃⁺	Sulfur trimer cation	²B₂	C_2v
684	SeO₂	Selenium dioxide	¹A₁	C_2v
685	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
686	HCCO	ketenyl radical	²Π	C_∞v
687	HCCO	ketenyl radical	²A^"	C_s
688	HCNO	fulminic acid	¹Σ	C_∞v
689	HCNO	fulminic acid	¹A^'	C_s
690	HNCS	Isothiocyanic acid
691	HSCN	thiocyanic acid	¹A^'	C_s
692	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
693	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
694	HCOO	formate neutral radical	²A^'	C_s
695	HOCO	Hydrocarboxyl radical	¹A^'	cis
696	HOCO	Hydrocarboxyl radical	¹A^'	trans
697	O₃H⁺	protonated ozone	¹A^'	C_s
698	O₃H⁺	protonated ozone
699	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
700	C₂H₂O	Oxirene	¹A₁	C_2v
701	CH₂CO	Ketene	¹A₁	C_2v
702	CH₂CS	Thioketene
703	Be(OH)₂	Beryllium hydroxide
704	Be(OH)₂	Beryllium hydroxide
705	NH₂NO	Nitrosamide	¹A	C₁
706	H₂COO	Dioxymethyl radical	²A^'	C_s
707	H₂COO⁺	dioxymethyl cation	²A^'	C_s
708	HCOOH	Formic acid	¹A^'	C_s
709	HCOOH	Formic acid
710	H₂O₃	Hydrogen trioxide	¹A	C₂
711	HSSSH	trisulfane	¹A^'	C_s
712	NaOCH₃	Sodium methoxide	¹A₁	C_3v
713	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
714	BH₃CO	Borane carbonyl	¹A₁	C_3v
715	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
716	CH₂COH⁺	ketene, protonated
717	CH₂NOH	formaldoxime	¹A^'	C_s
718	CH₃NO	nitrosomethane	¹A^'	C_s
719	CHONH₂	formamide	¹A^'	Planar
720	CHONH₂	formamide	¹A	Non-Planar
721	CNOH₃	1,2-oxaziridine	¹A	C₁
722	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
723	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
724	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
725	CHSNH₂	thioformamide
726	NHCHSH	Methanimidothioic acid
727	C₂H₄O	Ethylene oxide	¹A₁	C_2v
728	C₂H₄O⁺	ethylene oxide cation
729	CH₃CHO	Acetaldehyde	¹A^'	C_s
730	CH₃CHO⁺	acetaldehyde cation
731	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
732	C₂H₄S	Thiirane	¹A₁	C_2v
733	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
734	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
735	NH₂CHOH⁺	Formamide, O-protonated
736	CH₂(OH)₂	methanediol	¹A	C₂
737	CH₃SSH	Hydrogen methyl disulfide
738	HSCH₂SH	Methanedithiol
739	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
740	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
741	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
742	NH₂CH₂OH	aminomethanol
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	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
756	BeBr₂	Beryllium bromide
757	CaBr₂	Calcium dibromide
758	FCO	Carbonyl fluoride	²A^'	C_s
759	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
760	ClCO	carbonyl monochloride	²A^'	C_s
761	BF₂	Boron difluoride radical	²A₁	C_2v
762	FNO	Nitrosyl fluoride	¹A^'	C_s
763	ClNO	Nitrosyl chloride	¹A^'	C_s
764	FNS	Thionitrosyl fluoride	¹A^'	C_s
765	FSN	Thiazyl fluoride	¹A^'	C_s
766	OPCl	Phosphorus oxychloride
767	CF₂	Difluoromethylene	¹A₁	D_∞h
768	CFCl	chlorofluoromethylene	¹A^'	C_s
769	SiF₂	Silicon difluoride	¹A₁	C_2v
770	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
771	GeF₂	Germanium difluoride	¹A₁	C_2v
772	GeCl₂	Germanium dichloride	¹A₁	C_2v
773	CBr₂	dibromomethylene	¹A₁	C_2v
774	CBr₂	dibromomethylene	³B₁	C_2v
775	FOO⁺	Fluorine dioxide cation
776	OClO	Chlorine dioxide	²B₁	D_∞h
777	OClO^-	Chlorine dioxide anion	¹A^'	C_s
778	ClSO	Sulfur chloride oxide	²A^"	C_s
779	BrOO	Bromine dioxide
780	OBrO	Bromine dioxide radical	²B₁	C_2v
781	PF₂	Phosphorus difluoride
782	PF₂⁺	Phosphorus difluoride cation
783	FClO	chlorosyl fluoride	¹A^'	C_s
784	ClOF	Chlorine hypofluorite	¹A^'	C_s
785	SF₂	sulfur difluoride	¹A₁	C_2v
786	SF₂^-	sulfur difluoride anion	²A^'	C_s
787	SF₂^-	sulfur difluoride anion	²Π	D_∞h
788	SCl₂	Sulfur dichloride	¹A₁	C_2v
789	SeF₂	Selenium difluoride
790	SeCl₂	Selenium Dichloride
791	SBr₂	Sulfur dibromide
792	SeBr₂	Selenium dibromide
793	F₃^-	trifluoride anion	¹Σ_g	D_∞h
794	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
795	Br₃^-	tribromide anion
796	SFCl	Sulfur chloride fluoride
797	HCCF	Fluoroacetylene	¹Σ	C_∞v
798	HCCCl	Chloroacetylene	¹Σ	C_∞v
799	HCCBr	bromoacetylene	¹Σ	C_∞v
800	HFCO⁺	formyl fluoride cation	²A^'	C_s
801	CHCl₂	dichloromethyl radical	²B₁	C_2v
802	CHCl₂	dichloromethyl radical	²A^'	C_s
803	CHF₂	difluoromethyl radical	²A	C_s
804	CHF₂⁺	difluoromethyl cation
805	CHFCl	Chlorofluoromethyl radical
806	CHFCl⁺	Chlorofluoromethyl cation
807	CHCl₂⁺	dichloromethyl cation
808	CHBr₂	dibromomethyl radical
809	NHF₂	difluoramine
810	NHCl₂	dichloroamine
811	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
812	SiH₂F₂	difluorosilane
813	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
814	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
815	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
816	CH₂Br₂	dibromomethane	¹A₁	C_2v
817	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
818	CH₃MgBr	Methyl Magnesium Bromide
819	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
820	CH₂FOH	fluoromethanol
821	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
822	CHClCH₃	1-chloroethyl radical	²A	C₁
823	C₂H₅Br	Ethyl bromide	¹A^'	C_s
824	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
825	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
826	C₄	Carbon tetramer	³Σ_g	D_∞h
827	C₄	Carbon tetramer
828	C₄H₂	Diacetylene	¹Σ_g	D_∞h
829	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
830	C₄H₄	cyclobutadiene	¹A_g	D_2h
831	C₄H₄	Tetrahedrane
832	C₄H₆	1-Methylcyclopropene	¹A	C₁
833	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
834	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
835	C₄H₈	methylcyclopropane	¹A^'	C_s
836	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
837	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
838	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
839	Li₃N	trilithium nitride	¹A^'	D_3h
840	Li₃N	trilithium nitride	¹A₁	C_3v
841	C₂N₂	Cyanogen	¹Σ_g	D_∞h
842	As₄	Arsenic tetramer	¹A₁	T_d
843	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
844	H₂CNCN	cyanamide, methylene
845	HNCCNH	Ethenediimine
846	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
847	CH₃N₃	methyl azide	¹A^'	C_s
848	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
849	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
850	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
851	C₂H₅CN	ethyl cyanide	¹A^'	C_s
852	C₄H₆	Bicyclo[1.1.0]butane	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	C₃O	Tricarbon monoxide	¹Σ	C_∞v
861	ONNO	NO dimer	¹A_g	trans C2H
862	ONNO	NO dimer	¹A₁	cis C2V
863	S₂N₂	Disulfur dinitride	¹A_G	D_2h
864	CS₃^--	Carbonotrithioate
865	NO₃^-	nitrate anion	¹A₁^'	D_3h
866	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
867	SO₃	Sulfur trioxide	¹A₁^'	D_3h
868	SO₃^--	Sulfate dianion
869	SeO₃	selenium trioxide	¹A₁^'	D_3h
870	S₄	Sulfur tetramer
871	S₄	Sulfur tetramer
872	S₄	Sulfur tetramer
873	NH₂NO₂	nitramide	¹A^'	C_s
874	C₃H₂O	Propadienal
875	C₃H₂O	Propadienal
876	C₂H₂O₂	Ethanedial	¹A_g	C_2h
877	H₂SO₃	Sulfurous acid	¹A^'	C_s
878	CH₃NCO	methylisocyante
879	HOCH₂CN	cyanomethanol
880	CH₃NO₂	Methane, nitro-	¹A^'	C_s
881	NH₂COOH	Carbamic acid	¹A^'	C_s
882	NH₂COOH	Carbamic acid	¹A	C₁
883	H₃AlO₃	Aluminum hydroxide
884	CH₂CHCHO	Acrolein	¹A^'	C_s
885	CH₂CHCHO	Acrolein
886	NH₂CONH₂	Urea	¹A	C₂
887	NH₂CONH₂	Urea	¹A^'	C_s
888	NH₂CONH₂	Urea	¹A₁	C_2v
889	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
890	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
891	CH₃COCH₂	Acetonyl radical	²A^"	C_s
892	CH₂C(OH)NH₂	1-amino vinyl alchohol
893	CH₃C(OH)=NH	Ethaninidic acid
894	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
895	HCONHCH₃	N-methylformamide	¹A^'	CS cis
896	HCONHCH₃	N-methylformamide	¹A^'	CS trans
897	CH₃CSNH₂	Ethanethioamide
898	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
899	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
900	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
901	C₃H₅OH	Cyclopropanol	¹A	C₁
902	C₃H₆O	2-Propen-1-ol	¹A	C₁
903	C₃H₆O	Acetone enol	¹A^'	C_s
904	C₃H₆O	Oxetane	¹A₁	C_2v
905	C₃H₆O	Oxetane	¹A^'	C_s
906	CH₃CH₂CHO	Propanal	¹A^'	C_s
907	CH₃COCH₃^-	acetone anion	²A^'	C_s
908	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
909	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
910	C₃H₇OH	1-Propanol
911	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
912	Li₂F₂	Lithium fluoride dimer
913	FNO₂	Nitryl fluoride	¹A₁	C_2v
914	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
915	ClONO	chlorine nitrite	¹A^'	CS cis
916	CF₂O	Carbonic difluoride	¹A₁	C_2v
917	CF₂O⁺	Carbonic difluoride cation
918	Cl₂CS	Thiophosgene	¹A₁	C_2v
919	BF₃	Borane, trifluoro-	¹A^'	D_3h
920	BF₃⁺	boron trifluoride cation	²B₂	C_2v
921	BF₃⁺	boron trifluoride cation
922	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
923	BClF₂	Chlorodifluoroborane
924	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
925	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
926	BCl₃⁺	Boron Trichloride cation
927	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
928	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
929	BBr₃	Boron tribromide	¹A₁^'	D_3h
930	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
931	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
932	CF₂Cl	difluorochloromethyl radical
933	SiF₃	Silicon trifluoride radical	²A₁	C_3v
934	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
935	CFCl₂	dichlorofluoromethyl radical
936	CBr₃	tribromomethyl radical
937	ClO₂F	Chloryl fluoride	¹A^'	C_s
938	F₂SO	Thionyl Fluoride	¹A^'	C_s
939	ClOOCl	Dichlorine dioxide	¹A	C₂
940	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
941	SSCl₂	Thiothionyl chloride
942	NF₃	Nitrogen trifluoride	¹A₁	C_3v
943	NCl₃	nitrogen trichloride	¹A₁	C_3v
944	AsCl₃	Arsenous trichloride	¹A₁	C_3v
945	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
946	PBr₃	Phosphorus tribromide	¹A₁	C_3v
947	SF₃	Sulfur trifluoride	²A^'	C_s
948	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
949	ClF₃	Chlorine trifluoride	¹A₁	C_2v
950	HClO₃	Chloric Acid	¹A^'	C_s
951	HClO₃	Chloric Acid	¹A	C₁
952	CHF₃	Methane, trifluoro-	¹A₁	C_3v
953	SiHF₃	trifluorosilane
954	CDCl₃	trichloromethane-d	¹A₁	C_3v
955	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
956	CHFClBr	fluorochlorobromomethane	¹A	C₁
957	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
958	CHBr₂F	dibromofluoromethane
959	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
960	AsF₃H⁺	Arsenic trifluoride, protonated
961	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
962	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
963	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
964	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
965	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
966	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
967	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
968	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
969	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
970	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
971	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
972	CH₂BrCH₂Cl	1-bromo-2-chloroethane
973	CH₂BrCH₂Cl	1-bromo-2-chloroethane
974	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
975	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
976	CH₂CHCH₂F	Allyl Fluoride
977	CH₂CHCH₂F	Allyl Fluoride
978	CH₃CHCHF	trans-1-Fluoro-1-propene
979	CH₂FCH₂OH	2-fluoroethanol
980	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
981	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
982	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
983	CH₂FCH₂CH₃	1-Fluoropropane
984	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
985	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
986	B₅H₉	pentaborane9
987	C₅H₄	pentatetraene
988	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
989	C₅H₆	Propellane	¹A₁	D_3h
990	C₅H₈	Bicyclo[1.1.1]pentane
991	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
992	CH₂N₄	1H-Tetrazole	¹A^'	C_s
993	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
994	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
995	C₄H₄N	pyrrolide radical	²A₂	C_2v
996	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
997	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
998	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
999	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1000	C₄H₅N	Pyrrole	¹A₁	C_2v
1001	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1002	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1003	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1004	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1005	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1006	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1007	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1008	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1009	B₂O₃	diboron trioxide
1010	B₂O₃	diboron trioxide
1011	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1012	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1013	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1014	HOONO₂	peroxy nitric acid	¹A	C₁
1015	HSO₄^-	bisulfate anion	¹A^'	C_s
1016	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1017	CHOOCHO	diformyl ether
1018	H₂SeO₄	Selenic acid	¹A	C₂
1019	C₃H₃NO	Isoxazole	¹A^'	C_s
1020	C₃H₃NO	Oxazole	¹A^'	C_s
1021	C₃H₃NS	Thiazole
1022	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1023	C₄H₄Se	selenophene
1024	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1025	HOCHCCHOH	allenediol	¹A	C₂
1026	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1027	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1028	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1029	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1030	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1031	CH₂CHSCHCH₂	Divinyl sulfide
1032	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1033	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1034	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1035	C₄H₁₀O	1-Butanol	¹A^'	C_s
1036	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1037	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1038	C₄H₉SH	1-Butanethiol
1039	BrONO₂	Bromine nitrate	¹A^'	C_s
1040	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1041	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1042	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1043	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1044	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1045	CBrCl₂F	bromodichlorofluoromethane
1046	CBr₂ClF	dibromochlorofluoromethane
1047	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1048	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1049	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1050	CBr₄	Carbon tetrabromide	¹A₁	T_d
1051	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1052	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1053	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1054	SeF₄	Selenium tetrafluoride
1055	SCl₄	Sulfur tetrachloride
1056	CF₃OH	trifluoromethanol	¹A^'	C_s
1057	CH₂ClCCCl	1,3-dichloropropyne
1058	CHCl₂CCH	3,3-dichloropropyne
1059	CHCl₂CHO	dichloroacetaldehyde
1060	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1061	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1062	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1063	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1064	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1065	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1066	CH₂FCH₂CH₂F	1,3-difluoropropane
1067	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1068	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1069	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1070	C₂H₂N₂O	Furazan
1071	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1072	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1073	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1074	C₆H₅^-	phenyl anion	¹A₁	C_2v
1075	C₆H₆	Prismane
1076	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1077	C₆H₆	Benzvalene	¹A₁	C_2v
1078	C₆H₆	Dewar Benzene
1079	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1080	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1081	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1082	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1083	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1084	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1085	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1086	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1087	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1088	C₆H₁₂	hex-1-ene	¹A^'	C_s
1089	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1090	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1091	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1092	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1093	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1094	C₃H₂O₃	vinylene carbonate
1095	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1096	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1097	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1098	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1099	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1100	C₅H₆O	2H-Pyran
1101	C₅H₆O	Pentadienal
1102	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1103	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1104	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1105	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1106	C₅H₈O	Cyclopentanone	¹A	C₂
1107	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1108	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1109	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1110	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1111	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1112	C₄F₂	difluorobutadiyne
1113	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1114	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1115	C₂ClF₃	Ethene, chlorotrifluoro-
1116	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1117	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1118	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1119	C₂Br₄	tetrabromoethene
1120	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1121	SiF₅^-	silicon pentafluoride anion
1122	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1123	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1124	SF₅	Sulfur pentafluoride	²A₁	C_4v
1125	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1126	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1127	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1128	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1129	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1130	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1131	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1132	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1133	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1134	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1135	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1136	C₄H₈O₂	Butanoic acid	¹A	C₁
1137	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1138	C₇H₁₄	cycloheptane	¹A	C₂
1139	CH(CN)₃	tricyanomethane
1140	HN=C=C(CN)₂	Dicyanoketenimine
1141	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1142	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1143	C₅H₈O₂	Acetylacetone	¹A	C₂
1144	C₇H₁₀	Norbornene
1145	C₆H₁₂O	Oxepane
1146	F₂CCCF₂	tetrafluoroallene
1147	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1148	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1149	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1150	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1151	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1152	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1153	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1154	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1155	C₈H₆	Calicene	¹A₁	C_2v
1156	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1157	C₈H₆	Pentalene	¹A_g	C_2h
1158	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1159	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1160	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1161	S₄N₄	Tetrasulfur tetranitride
1162	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1163	C₅H₉NO₂	Proline	¹A	C₁
1164	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1165	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1166	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1167	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1168	C₆H₄Cl₂	1,4-dichlorobenzene
1169	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1170	C₉H₈	Indene	¹A^'	C_s
1171	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1172	C₉H₂₀	Nonane	¹A₁	C_2v
1173	C(CN)₄	tetracyanomethane	¹A₁	T_d
1174	C₃F₆	hexafluoropropene
1175	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1176	C₈H₁₈O	1-Octanol
1177	C₁₀H₈	Azulene	¹A₁	C_2v
1178	C₁₀H₈	naphthalene	¹A_g	D_2h
1179	C₁₀H₁₀	bullvalene
1180	C₁₂H₈	biphenylene	¹A_g	D_2h
1181	C₁₂H₁₀	Heptalene	¹A	C₂
1182	S₂F₁₀	disulphur decafluoride
1183	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1184	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	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	ZnH	Zinc monohydride	znh
35	CaH₂	Calcium Hydride	cah2
36	ZnH₂	Zinc hydride	znh2
37	B^-	Boron atom anion	b-
38	BH^-	boron monohydride anion	bh-
39	BH⁺	boron monohydride cation	bh+
40	AlH	aluminum monohydride	alh
41	AlH^-	aluminum monohydride anion	alh-
42	AlH⁺	aluminum monohydride cation	alh+
43	BH₂	boron dihydride	bh2
44	AlH₂	aluminum dihydride	alh2
45	AlH₂^-	aluminum dihydride anion	alh2-
46	AlH₂⁺	aluminum dihydride cation	alh2+
47	BH₃^-	boron trihydride anion	bh3-
48	AlH₃⁺	aluminum trihydride cation	alh3+
49	AlH₄^-	Aluminum tetrahydride anion	alh4-
50	C^-	Carbon atom anion	c-
51	Ti	Titanium atom	ti
52	Ti^-	Titanium atom anion	ti-
53	Ti⁺	Titanium atom cation	ti+
54	Sn	Tin atom	sn
55	Sn⁺	Tin cation	sn+
56	CH^-	methylidyne anion	ch-
57	CH⁺	Methylidyne cation	ch+
58	SiH₂^-	silicon dihydride anion	sih2-
59	SiH₂⁺	silicon dihydride cation	sih2+
60	CH₃	Methyl radical	ch3
61	SiH₃^-	Silyl anion	sih3-
62	CH₄⁺	Methane cation	ch4+
63	SiH₄⁺	Silane cation	sih4+
64	SnH₄	Stannane	snh4
65	N^-	Nitrogen atom anion	n-
66	P^-	Phosphorus atom anion	p-
67	P⁺	Phosphorus atom cation	p+
68	Sb	Antimony atom	sb
69	NH	Imidogen	nh
70	NH^-	Imidogen anion	nh-
71	NH⁺	imidogen cation	nh+
72	PH^-	phosphorus monohydride anion	ph-
73	PH⁺	phosphorus monohydride cation	ph+
74	SbH	Antimony monohydride	sbh
75	ND₂	Amidogen-d2	nd2
76	NH₂^-	amino anion	nh2-
77	PH₂	Phosphino radical	ph2
78	PH₂^-	Phosphino anion	ph2-
79	PH₂⁺	Phosphino cation	ph2+
80	AsH₂	Arsenic dihydride	ash2
81	ND₃	Ammonia-d3	nd3
82	SbH₃	Stibine	sbh3
83	O^-	Oxygen atom anion	o-
84	Cr	Chromium atom	cr
85	Te	Tellurium atom	te
86	Te⁺	Tellurium atom cation	te+
87	DO	Hydroxyl-d	od
88	DS	Mercapto-d	ds
89	TeH	Telluryl radical	teh
90	D₂O	Deuterium oxide	d2o
91	D₂S	Hydrogen sulfide-d2	d2s
92	H₂Te	Hydrogen Telluride	h2te
93	Mn	Manganese atom	mn
94	I	Iodine atom	iodine
95	I^-	Iodine atom anion	iodine-
96	I⁺	Iodine atom cation	iodine+
97	DF	Hydrofluoric acid-d	df
98	DCl	Hydrochloric acid-d	dcl
99	HI	Hydrogen iodide	hi
100	HI⁺	Hydrogen iodide cation	hi+
101	H₂F⁺	dihydrogen fluoride cation	h2f+
102	H₂I⁺	Iodonium	h2i+
103	Ne^-	Neon atom anion	ne-
104	Ar^-	Argon atom anion	ar-
105	Ar⁺	Argon atom cation	ar+
106	Fe	Iron atom	fe
107	Xe	Xenon atom	xe
108	NeH⁺	neon hydrogen cation	neh+
109	XeH⁺	Xenon, protonated	xeh+
110	Co	Cobalt atom	cobalt
111	Ni	Nickel atom	ni
112	Li₂^-	lithium diatomic anion	li2-
113	Li₂⁺	lithium diatomic cation	li2+
114	NaLi^-	lithium sodium anion	lina-
115	NaLi⁺	lithium sodium cation	lina+
116	LiK	Lithium Potassium	lik
117	NaK	Sodium Potassium	nak
118	NaK⁺	Sodium Potassium diatomic cation	nak+
119	K₂	Potassium diatomic	k2
120	Cu₂	Copper diatomic	cu2
121	LiBe	Lithium Beryllium	libe
122	LiMg	Lithium magnesium	limg
123	NaBe	Sodium Beryllium	nabe
124	NaMg	Sodium Magnesium	namg
125	Be₂^-	Beryllium diatomic anion	be2-
126	Be₂⁺	Beryllium diatomic cation	be2+
127	Mg₂^-	magnesium diatomic anion	mg2-
128	Mg₂⁺	magnesium diatomic cation	mg2+
129	B₂^-	Boron diatomic anion	b2-
130	Al₂	Aluminum diatomic	al2
131	Al₂^-	aluminum diatomic anion	al2-
132	Al₂⁺	aluminum diatomic cation	al2+
133	BC^-	boron monocarbide anion	bc-
134	BC⁺	boron monocarbide cation	bc+
135	C₂^-	carbon diatomic anion	c2-
136	SiC^-	silicon monocarbide anion	sic-
137	SiC⁺	silicon monocarbide cation	sic+
138	Si₂	Silicon diatomic	si2
139	Si₂^-	silcon diatomic anion	si2-
140	Si₂⁺	silcon diatomic cation	si2+
141	Ge₂	Germanium diatomic	ge2
142	C₂H⁺	Ethynyl cation	c2h+
143	ZnCH₂	Zinc methylene	znch2
144	CCH₂	vinylidene	vinylidene
145	CuCH₃	monomethyl copper	cuch3
146	ZnCH₃	Zinc monomethyl	znch3
147	CH₃CH	methylmethylene	ch3ch
148	CH₂SiH₂	silaethylene	ch2sih2
149	C₂H₅⁺	Ethyl cation	c2h5+
150	C₂H₆⁺	ethane cation	c2h6+
151	CH₃SiH₃	methyl silane	ch3sih3
152	GeH₃CH₃	methyl germane	geh3ch3
153	C₂H₇⁺	Ethane, protonated	c2h7+
154	LiN⁺	Lithium Nitride cation	lin+
155	BeN^-	Beryllium mononitride anion	ben-
156	BN^-	boron nitride anion	bn-
157	AlN^-	aluminum mononitride anion	aln-
158	AlN⁺	aluminum mononitride cation	aln+
159	BN⁺	boron nitride cation	bn+
160	AlN	Aluminum nitride	aln
161	CN⁺	Cyano cation	cn+
162	CP	Carbon monophosphide	cp
163	CP^-	carbon monophosphide anion	cp-
164	CP⁺	carbon monophosphide cation	cp+
165	SiN	Silicon nitride	sin
166	SiN^-	silicon mononitride anion	sin-
167	SiN⁺	silicon mononitride cation	sin+
168	SiP^-	Silicon monophosphide anion	sip-
169	SiP⁺	Silicon monophosphide cation	sip+
170	TiN	Titanium mononitride	tin
171	PN^-	phosphorus nitride anion	pn-
172	PN⁺	phosphorus nitride cation	pn+
173	P₂^-	phosphorus diatomic anion	p2-
174	P₂⁺	phosphorus diatomic cation	p2+
175	SbN	Antimony nitride	sbn
176	As₂	Arsenic diatomic	as2
177	HNB	hydrogen nitrogen boron	hnb
178	HNC	hydrogen isocyanide	hnc
179	HCN^-	Hydrogen cyanide anion	hcn-
180	HCP	Phosphaethyne	hcp
181	NNH	Dinitrogen monohydride	nnh
182	HPO	Hydrogen phosphorus oxide	hpo
183	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
184	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
185	H₂CN⁺	hydrocyanonium cation	h2cn+
186	HCNH⁺	N-protonated HCN	hcnh+
187	P₂H₄	Diphosphine	p2h4
188	CH₃PH₂	Methyl phosphine	ch3ph2
189	BH₃NH₃	borane ammonia	bh3nh3
190	CH₃NH₃⁺	protonated methylamine	ch3nh3+
191	LiO^-	lithium oxide anion	lio-
192	LiO⁺	lithium oxide cation	lio+
193	NaO^-	sodium oxide anion	nao-
194	NaO⁺	sodium oxide cation	nao+
195	KO	Potassium monoxide	ko
196	KO⁺	Potassium monoxide cation	ko+
197	CuO	Copper Monoxide	cuo
198	BeO^-	Beryllium monoxide anion	beo-
199	BeS	beryllium sulfide	bes
200	MgO	magnesium oxide	mgo
201	MgO^-	magnesium oxide anion	mgo-
202	MgO⁺	magnesium oxide cation	mgo+
203	MgS	magnesium sulfide	mgs
204	MgS^-	magnesium sulfide anion	mgs-
205	MgS⁺	magnesium sulfide cation	mgs+
206	ZnO	zinc monoxide	zno
207	ZnS	Zinc sulfide	zns
208	BeS^-	Beryllium monosulfide anion	bes-
209	BeS⁺	Beryllium monosulfide cation	bes+
210	BO^-	boron monoxide anion	bo-
211	AlO	Aluminum monoxide	alo
212	AlO^-	Aluminum monoxide anion	alo-
213	AlO⁺	aluminum monoxide cation	alo+
214	BS	boron sulfide	bs
215	BS^-	boron monosulfide anion	bs-
216	BS⁺	boron monosulfide cation	bs+
217	AlS	Aluminum sulfide	als
218	AlS^-	aluminum monosulfide anion	als-
219	AlS⁺	aluminum monosulfide cation	als+
220	BO⁺	boron monoxide cation	bo+
221	CS	carbon monosulfide	cs
222	CS^-	carbon monosulfide anion	cs-
223	CS⁺	carbon monosulfide cation	cs+
224	SiO^-	silicon monoxide anion	sio-
225	SiO⁺	silicon monoxide cation	sio+
226	SiS^-	silicon monosulfide anion	sis-
227	SiS⁺	silicon monosulfide cation	sis+
228	CSe^-	Carbon monoselenide anion	cse-
229	CSe⁺	Carbon monoselenide cation	cse+
230	NS⁺	nitrogen sulfide cation	ns+
231	PO^-	phosphorus monoxide anion	po-
232	PO⁺	phosphorus monoxide cation	po+
233	PS^-	phosphorus monosulfide anion	ps-
234	PS⁺	phosphorus monosulfide cation	ps+
235	AsO	Arsenic monoxide	aso
236	SO^-	sulfur monoxide anion	so-
237	S₂^-	sulfur diatomic anion	s2-
238	S₂⁺	sulfur diatomic cation	s2+
239	SeO^-	selenium monoxide anion	seo-
240	SeO⁺	selenium monoxide cation	seo+
241	SeS	Selenium monosulfide	ses
242	SeS^-	selenium monosulfide anion	ses-
243	SeS⁺	selenium monosulfide cation	ses+
244	TeO	Tellurium monoxide	teo
245	Se₂^-	selenium diatomic anion	se2-
246	Se₂⁺	selenium diatomic cation	se2+
247	Te₂	Tellurium diatomic	te2
248	NaOH	sodium hydroxide	naoh
249	KOH	Potassium hydroxide	koh
250	MgOH	magnesium hydroxide	mgoh
251	CaOH	Calcium monohydroxide	caoh
252	HCS	Thioformyl radical	hcs
253	HCS^-	Thioformyl anion	hcs-
254	HCS⁺	Thioformyl cation	hcs+
255	HNO^-	Nitrosyl hydride anion	hno-
256	HNS	Sulfur imide	hns
257	HNS^-	Sulfur imide anion	hns-
258	HO₂^-	Hydroperoxy anion	ho2-
259	CH₃O	Methoxy radical	ch3o
260	CH₃S	thiomethoxy	ch3s
261	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
262	CH₃OH	Methyl alcohol	ch3oh
263	CH₃SeH	Methane selenol	ch3seh
264	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
265	H₂ONH₃	Water Ammonia Dimer	h2onh3
266	LiCl^-	lithium chloride anion	licl-
267	LiCl⁺	lithium chloride cation	licl+
268	NaF^-	sodium fluoride anion	naf-
269	KF	Potassium Fluoride	kf
270	NaCl^-	sodium chloride anion	nacl-
271	NaCl⁺	sodium chloride cation	nacl+
272	KCl	Potassium Chloride	kcl
273	CuF	Copper monofluoride	cuf
274	LiBr^-	lithium bromide anion	libr-
275	LiBr⁺	lithium bromide cation	libr+
276	CuCl	Copper monochloride	cucl
277	NaBr	Sodium Bromide	nabr
278	NaBr^-	sodium bromide anion	nabr-
279	NaBr⁺	sodium bromide cation	nabr+
280	KBr	Potassium Bromide	kbr
281	LiI	Lithium Iodide	lii
282	NaI	Sodium Iodide	nai
283	KI	Potassium Iodide	ki
284	LiF^-	lithium fluoride anion	lif-
285	BeF	Beryllium monofluoride	bef
286	BeF⁺	Beryllium monofluoride cation	bef+
287	BeCl	beryllium monochloride	becl
288	MgF	Magnesium monofluoride	mgf
289	MgF^-	magnesium fluoride anion	mgf-
290	CaF	Calcium monofluoride	caf
291	MgCl	magnesium monochloride	mgcl
292	MgCl^-	magnesium monochloride anion	mgcl-
293	MgCl⁺	magnesium monochloride cation	mgcl+
294	CaCl	calcium monochloride	cacl
295	ZnF^-	Zinc monofluoride anion	znf-
296	ZnF⁺	Zinc monofluoride cation	znf+
297	ZnCl	Zinc monochloride	zncl
298	BeCl^-	beryllium monochloride anion	becl-
299	BeCl⁺	beryllium monochloride cation	becl+
300	BF^-	Boron monofluoride anion	bf-
301	BF⁺	Boron monofluoride cation	bf+
302	AlF^-	Aluminum monofluoride anion	alf-
303	AlF⁺	Aluminum monofluoride cation	alf+
304	BCl	boron monochloride	bcl
305	BCl^-	boron monochloride anion	bcl-
306	BCl⁺	boron monochloride cation	bcl+
307	AlCl^-	aluminum monochloride anion	alcl-
308	AlCl⁺	aluminum monochloride cation	alcl+
309	AlI	Aluminum monoiodide	ali
310	CF^-	carbon monofluoride anion	cf-
311	CF⁺	carbon monofluoride cation	cf+
312	CCl	carbon monochloride	ccl
313	CCl^-	carbon monochloride anion	ccl-
314	CCl⁺	carbon monochloride cation	ccl+
315	SiCl^-	silicon monochloride anion	sicl-
316	SiCl⁺	silicon monochloride cation	sicl+
317	NF	nitrogen fluoride	nf
318	NF^-	nitrogen monofluorine anion	nf-
319	NF⁺	nitrogen monofluoirde cation	nf+
320	NCl^-	nitrogen monochloride anion	ncl-
321	NCl⁺	nitrogen monochloride cation	ncl+
322	PF	phosphorus monofluoride	pf
323	PF^-	phosphorus monofluoride anion	pf-
324	PF⁺	phosphorus monofluoride cation	pf+
325	PCl	phosphorus chloride	pcl
326	PCl^-	phosphorus monochloride anion	pcl-
327	PCl⁺	phosphorus monochloride cation	pcl+
328	SbF	Antimony monofluoride	sbf
329	SbCl	Antimony monochloride	sbcl
330	FO^-	flourine oxide anion	fo-
331	FO⁺	fluorine monoxide cation	fo+
332	ClO^-	chlorine monoxide anion	clo-
333	SF^-	sulfur monofluoride anion	sf-
334	SCl^-	sulfur monochloride anion	scl-
335	IO	Iodine monoxide	io
336	ClF^-	clorine monofluoride anion	clf-
337	BrF^-	bromine fluoride anion	brf-
338	BrF⁺	bromine fluoride cation	brf+
339	BrCl^-	bromine chloride anion	brcl-
340	BrCl⁺	bromine chloride cation	brcl+
341	IF	Iodine monofluoride	if
342	ICl	Iodine monochloride	icl
343	IBr	Iodine monobromide	ibr
344	I₂	Iodine diatomic	i2
345	I₂⁺	Iodine diatomic cation	i2+
346	CHBr	bromomethylene	chbr
347	DOCl	Hypochlorous acid-d	docl
348	HOI	Hypoiodous acid	hoi
349	FHF	Hydrogen difluoride	fhf
350	FHF^-	Hydrogen difluoride anion	fhf-
351	NH₂F	monofluoroamine	nh2f
352	H₂F₂	Hydrogen fluoride dimer	h2f2
353	CH₃Cl⁺	Methyl chloride cation	ch3cl+
354	CH₃I	methyl iodide	ch3i
355	SiH₃I	Silyl Iodide	sih3i
356	Ne₂	Neon diatomic	ne2
357	C₃⁺	carbon trimer cation	c3+
358	C₃H₃	Propargyl radical	propargyl
359	C₃H₃^-	Propargyl anion	c3h3-
360	C₃H₃⁺	cyclopropenyl cation	cpr+
361	C₃H₃⁺	Propargyl cation	c3h3+
362	C₃H₅⁺	Allyl cation	allyl+
363	Zn(CH₃)₂	dimethyl zinc	dmz
364	C₃H₇⁺	cyclopropane, protonated	c3h7+
365	SiH₂(CH₃)₂	dimethylsilane	dms
366	KCN	Potassium cyanide	kcn
367	CuCN	Copper cyanide	cucn
368	N₃^-	azide anion	n3-
369	HCNN	diazomethyl radical	hcnn
370	CH₂N₂	diazirine	ch2n2
371	CH₂NN	diazomethane	ch2nn
372	CH₃CN⁺	Acetonitrile cation	ch3cn+
373	CH₃NC	methyl isocyanide	ch3nc
374	NHCHNH₂	aminomethanimine	cn2h4
375	C₂H₅N	Aziridine	c2h5n
376	CH₂CHNH₂	aminoethene	aminoethene
377	CH₂NCH₃	N-methylmethanimine	nmm
378	CH₃CHNH	ethanimine	ethanimine
379	NH₂BHNH₂	diaminoborane	nh2bhnh2
380	CH₃NHCH₃	Dimethylamine	ch3nhch3
381	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
382	Li₂O⁺	dilithium oxide cation	li2o+
383	CNO^-	fulminate	cno-
384	NCO^-	cyanate	nco-
385	SCN	thiocyanato radical	scn
386	SCN^-	thiocyanide anion	scn-
387	BO₂	Boron dioxide	bo2
388	BO₂^-	Boron dioxide anion	bo2-
389	BO₂⁺	Boron dioxide cation	bo2+
390	N₂O⁺	Nitrous oxide cation	n2o+
391	CO₂^-	Carbon dioxide anion	co2-
392	OCS⁺	Carbonyl sulfide cation	cos+
393	SiO₂	silicon dioxide	sio2
394	CS₂⁺	Carbon disulfide cation	cs2+
395	SCTe	Carbon sulfide Telluride	scte
396	NO₂^-	Nitrogen dioxide anion	no2-
397	PO₂	Phosphorus dioxide	po2
398	PO₂^-	Phosphorus dioxide anion	po2-
399	PO₂⁺	Phosphorus dioxide cation	po2+
400	O₃^-	Ozone anion	o3-
401	O₃⁺	Ozone cation	o3+
402	SO₂^-	Sulfur dioxide anion	so2-
403	SO₂⁺	Sulfur dioxide cation	so2+
404	S₃^-	Sulfur trimer anion	s3-
405	TeO₂	Tellurium Dioxide	teo2
406	CS₂H⁺	Carbon disulfide, protonated	cs2h+
407	HNCO	Isocyanic acid	hnco
408	HOCN	cyanic acid	hocn
409	HCO₂^-	formate anion	hco2-
410	HNNO	nitrosoazane	hnno
411	HOCO⁺	Hydrocarboxyl cation	hoco+
412	HNO₂	Nitrous acid	hno2
413	HNO₂⁺	nitrous acid cation	hno2+
414	CH₂CO⁺	Ketene cation	ch2co+
415	HCCOH	ethynol	hccoh
416	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
417	CH₂O₂	Dioxirane	diox
418	CH₂CHO	Vinyloxy radical	ch2cho
419	CH₃CO	Acetyl radical	ch3co
420	CH₃CO^-	Acetyl anion	ch3co-
421	CH₃CO⁺	acetyl cation	ch3co+
422	CH₂OOH	CH2OOH radical	ch2ooh
423	CH₃OO	methylperoxy radical	ch3oo
424	CH₃OO^-	methylperoxy anion	ch3oo-
425	CH₃OO⁺	methylperoxy cation	ch3oo+
426	CH₂CHOH	ethenol	ch2choh
427	CH₂CHSH	Ethenethiol	ch2chsh
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	CH₃CH₂OH	Ethanol	etoh
435	CH₃OCH₃	Dimethyl ether	meome
436	CH₃OHH₂O	methanol water dimer	ch3ohh2o
437	H₂OCH₃OH	water methanol dimer	h2och3oh
438	ZnF₂	Zinc difluoride	znf2
439	FCN	Cyanogen fluoride	fcn
440	ClCN	chlorocyanogen	clcn
441	ICN	Cyanogen iodide	icn
442	MgCl₂	Magnesium dichloride	mgcl2
443	ZnCl₂	Zinc dichloride	zncl2
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	CH₂CHCHCH₂	1,3-Butadiene	c106990
495	CH₃CCCH₃	2-Butyne	c503173
496	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
497	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
498	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
499	B(CH₃)₃	trimethylborane	bme3
500	Al(CH₃)₃	trimethyl aluminum	tma
501	C(CH₃)₃	Tert-butyl radical	tbutyl
502	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
503	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
504	CH₃CH(CH₃)CH₃	Isobutane	isobutane
505	SiH(CH₃)₃	trimethylsilane	trimsi
506	C₂N₂⁺	Cyanogen cation	c2n2+
507	P₄	Phosphorus tetramer	p4
508	HCCCN	Cyanoacetylene	hcccn
509	C₃H₃N	acrylonitrile	ch2chcn
510	CH₅N₃	Guanidine	guanidine
511	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
512	CH₆N₃⁺	guanidinium	ch6n3+
513	C₃H₇N	Cyclopropylamine	cpram
514	C₃H₇N	Azetidine	azet
515	C₂H₈N₂	Ethylenediamine	ethdiam
516	CH₃NHNHCH₃	dimethyl hydrazine	dmh
517	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
518	N(CH₃)₃	Trimethylamine	trimeam
519	As(CH₃)₃	trimethyl arsine	tmas
520	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
521	Li₂O₂	dilithium dioxide	li2o2
522	Na₂O₂	disodium dioxide	na2o2
523	K₂O₂	dipotassium dioxide	k2o2
524	B₂O₂	Diboron dioxide	b2o2
525	CO₃	Carbon trioxide	co3
526	CO₃^--	carbonate	co3--
527	NO₃	Nitrogen trioxide	no3
528	SO₃^-	Sulfur trioxide anion	so3-
529	SO₃⁺	Sulfur trioxide cation	so3+
530	TeO₃	Tellurium trioxide	teo3
531	HCO₃^-	bicarbonate anion	hco3-
532	HNO₃	Nitric acid	hno3
533	HSO₃	Hydroxysulfonyl radical	hso3
534	C₂H₂CO	cyclopropenone	c2h2co
535	HCCCHO	2-propynal	hcccho
536	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
537	H₂CO₃	Carbonic acid	h2co3
538	H₂CS₃	thiocarbonic acid	h2cs3
539	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
540	C₂H₃NO	Nitrosoethylene	c2h3no
541	CH₃COO^-	acetate anion	ch3coo-
542	CH₃ONO	Methyl nitrite	ch3ono
543	H₃BO₃	Boric acid	h3bo3
544	H₃CO₃⁺	carbonic acid, protonated	h3co3+
545	C₃H₄O	2-Propyn-1-ol	c107197
546	C₃H₄O	allenol	c9000071
547	C₃H₄O	Cyclopropanone	cpone
548	C₃H₄O	Methylketene	c6004440
549	NH₂CONH₂⁺	Urea cation	urea+
550	NH₂CSNH₂	Thiourea	thiourea
551	C₂H₄O₂	1,3-dioxetane	c2h4o2
552	CH₃COOH	Acetic acid	ch3cooh
553	CH₃OCHO	methyl formate	ch3ocho
554	CHOCH₂OH	hydroxy acetaldehyde	haa
555	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
556	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
557	HCOOHH₂O	Formic acid water dimer	hcoohh2o
558	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
559	CH₃CONH₂	Acetamide	acetamide
560	C₂H₅OO	ethylperoxy radical	c2h5oo
561	C₃H₆O	Propylene oxide	prox
562	CH₃COCH₃	Acetone	acetone
563	C₃H₆S	Thietane	thietane
564	C₃H₆S	Thiirane, methyl-	methiirane
565	C₂H₆O₂	1,2-Ethanediol	ethdiol
566	CH₃OOCH₃	dimethylperoxide	dmp
567	CH₃SOCH₃	Dimethyl sulfoxide	dmso
568	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
569	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
570	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
571	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
572	C₃H₇SH	1-Propanethiol	prsh
573	CH₃CHSHCH₃	2-Propanethiol	isoprsh
574	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
575	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
576	Na₂F₂	Sodium Fluoride Dimer	na2f2
577	Na₂Cl₂	Disodium dichloride	na2cl2
578	C₂F₂	difluoroacetylene	c2f2
579	C₂Cl₂	dichloroacetylene	c2cl2
580	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
581	ClNO₂	Nitryl chloride	clno2
582	BrONO	Bromine nitrite	brono
583	N₂F₂	(Z)-Difluorodiazene	n2f2_z
584	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
585	COFCl	Carbonic chloride fluoride	cofcl
586	CCl₂O	Phosgene	cl2co
587	COBr₂	Carbonic dibromide	cobr2
588	BF₃^-	Borane, trifluoro- anion	bf3-
589	AlF₂Cl	Aluminum chloride difluoride	alclf2
590	AlFCl₂	Aluminum dichloride fluoride	alcl2f
591	AlCl₃	Aluminum trichloride	alcl3
592	AlBr₃	Aluminum Bromide	albr3
593	ClO₃	Chlorine trioxide	clo3
594	ClO₃^-	chlorate anion	clo3-
595	BrO₃^-	Bromate anion	bro3-
596	CF₃	Trifluoromethyl radical	cf3
597	CCl₃	Trichloromethyl radical	ccl3
598	CCl₃^-	Trichloromethyl anion	ccl3-
599	CCl₃⁺	Trichloromethyl cation	ccl3+
600	SiCl₃	trichlorosilyl radical	sicl3
601	SiCl₃⁺	trichlorosilyl cation	sicl3+
602	FOOF	Perfluoroperoxide	foof
603	FSSF	Difluorodisulfane	fssf
604	SOCl₂	thionyl chloride	socl2
605	SeOCl₂	selenium oxychloride	seocl2
606	NF₃^-	Nitrogen trifluoride anion	nf3-
607	NF₃⁺	Nitrogen trifluoride cation	nf3+
608	PF₃	Phosphorus trifluoride	pf3
609	AsF₃	Arsenic trifluoride	asf3
610	PCl₃	Phosphorus trichloride	pcl3
611	SbF₃	Antimony Trifluoride	sbf3
612	SbCl₃	Antimony Trichloride	sbcl3
613	AsBr₃	Arsenic tribromide	asbr3
614	NI₃	Nitrogen triiodide	ni3
615	PI₃	Phosphorus triiodide	pi3
616	ClSSCl	Disulfur dichloride	s2cl2
617	BrF₃	Bromine trifluoride	brf3
618	IF₃	iodone trifluoride	if3
619	CHF₂Cl	difluorochloromethane	chf2cl
620	CHFCl₂	fluorodichloromethane	chfcl2
621	CHCl₃	Chloroform	chcl3
622	SiHCl₃	Trichlorosilane	sihcl3
623	CHF₂I	difluoroiodomethane	chf2i
624	CHFClI	fluorochloroiodomethane	chfcli
625	CHCl₂I	dichloroiodomethane	chcl2i
626	CHClBr₂	Methane, dibromochloro-	chclbr2
627	CHBr₃	bromoform	chbr3
628	CHI₃	Iodoform	chi3
629	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
630	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
631	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
632	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
633	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
634	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
635	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
636	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
637	CH₃COF	Acetyl fluoride	ch3cof
638	CH₂ClCHO	chloroacetaldehyde	ch2clcho
639	CH₃COCl	Acetyl Chloride	ch3cocl
640	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
641	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
642	CH₂CFCH₃	2-fluoropropene	2fpro
643	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
644	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
645	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
646	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
647	CH₃CH₂CH₂Br	n-propyl bromide	prbr
648	CH₃CHBrCH₃	i-propyl bromide	iprbr
649	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
650	C₅H₅^-	cylopentadienyl anion	c5h5-
651	C₅H₆	1,3-Cyclopentadiene	c542927
652	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
653	C₅H₆	3-Penten-1-yne, (E)-	c2004695
654	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
655	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
656	C₅H₆	Cyclopropylacetylene	c6746947
657	C₅H₇	1,3-pentadienyl radical	pdyl
658	C₅H₇	cyclopentenyl radical	cpyl
659	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
660	C₅H₈	1,2-Pentadiene	c591957
661	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
662	C₅H₈	1,3-Pentadiene, (E)-	c2004708
663	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
664	C₅H₈	1,4-Pentadiene	c591935
665	C₅H₈	1-pentyne	a1pentyne
666	C₅H₈	2,3-Pentadiene	c591968
667	C₅H₈	Cyclobutane, methylene-	c1120565
668	C₅H₈	Cyclopentene	c142290
669	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
670	C₅H₁₀	1-Butene, 2-methyl-	c563462
671	C₅H₁₀	2-Butene, 2-methyl-	c513359
672	C₅H₁₀	2-Pentene, (E)-	c646048
673	C₅H₁₀	2-Pentene, (Z)-	c627203
674	C₅H₁₀	Cyclopentane	c287923
675	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
676	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
677	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
678	C₅H₁₂	Butane, 2-methyl-	buta2
679	C₅H₁₂	Pentane	pentane
680	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
681	Si(CH₃)₄	tetramethylsilane	tms
682	N₂O₃	Dinitrogen trioxide	n2o3
683	C₃H₂N₂	Malononitrile	c3h2n2
684	C₂H₃N₃	1H-1,2,4-Triazole	c288880
685	C₃H₄N₂	1H-Pyrazole	1hpyraz
686	C₄H₅N	(E)-2-Butenenitrile	c627269
687	C₄H₅N	(Z)-2-Butenenitrile	c1190767
688	C₄H₅N	2H-pyrrole	pyrrole2
689	C₄H₅N	3H-pyrrole	pyrrole3
690	C₄H₅N	Cyclopropanecarbonitrile	c5500210
691	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
692	C₃H₆N₂	3-Aminopropionitrile	c151188
693	C₅H₈	Bicyclo[2.1.0]pentane	c185944
694	C₅H₈	Spiropentane	c157404
695	C₄H₉N	Cyclobutylamine	cbam
696	C₄H₉N	Pyrrolidine	pyrrolidine
697	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
698	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
699	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
700	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
701	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
702	C₃O₂⁺	Carbon suboxide cation	c3o2+
703	CaCO₃	Calcium Carbonate	caco3
704	PO₄^---	phosphate	po4---
705	SO₄^--	sulfate	so4--
706	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
707	CHOCOOH	oxo acetic acid	oaa
708	H₂SO₄	Sulfuric acid	h2so4
709	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
710	CH₃NO₃	Methyl nitrate	ch3no3
711	H₃PO₄	Phosphoric Acid	h3po4
712	C₄H₄O	Furan	furan
713	C₄H₄O⁺	Furan cation	furan+
714	C₄H₄S	Thiophene	furans
715	C₃H₄O₂	β–Propiolactone	beta
716	C₃H₄O₂	2-Propenoic acid	propenoic2
717	C₃H₄O₂	propanedial	propanedial
718	C₃H₄O₂	propenalol	propenalol
719	C₂H₄O₃	trioxolane124	triox
720	HOCH₂COOH	Hydroxyacetic acid	hac
721	CH₂CHCONH₂	Acrylamide	c79061
722	CH₅N₃S	Hydrazinecarbothioamide	c79196
723	H₂NCH₂COOH	Glycine	glycine
724	C₄H₆O	cis-2-butenal	butenal2c
725	C₄H₆O	Cyclobutanone	cbutone
726	C₄H₆O	Furan, 2,3-dihydro-	furan23h
727	C₄H₆O	Furan, 2,5-dihydro-	furan25h
728	CHOCHCHCH₃	2-Butenal	butenal2
729	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
730	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
731	C₂H₆N₂O	Urea, methyl-	c598505
732	C₃H₆O₂	1,3-Dioxolane	dioxolane
733	CH₃CH₂COOH	Propanoic Acid	propanoic
734	CH₃COOCH₃	methyl acetate	aame
735	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
736	C₃H₇NO	dimethylformamide	dmf
737	C₃H₇NO	Propanamide	propanam
738	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
739	C₄H₈O	Cyclobutanol	c2919235
740	C₄H₈O	Furan, tetrahydro-	thf
741	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
742	CH₃COCH₂CH₃	2-Butanone	buta2one
743	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
744	CHOCH₂CH₂CH₃	Butanal	butanal
745	C₃H₈O₂	1,3-Propanediol	c504632
746	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
747	C₃H₈O₂	Methane, dimethoxy-	c109875
748	C₃H₈O₂	Propylene glycol	c57556
749	C₃H₈S₂	1,3-Propanedithiol	c109808
750	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
751	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
752	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
753	C₄H₁₀O	Ethoxy ethane	etoet
754	C₄H₁₀O	Propane, 2-methoxy-	c598538
755	C₄H₁₀O⁺	1-Butanol cation	butanol1+
756	C₂H₅SC₂H₅	Diethyl sulfide	etset
757	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
758	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
759	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
760	FNO₃	Fluorine nitrate	fno3
761	ClONO₂	Chlorine nitrate	clono2
762	TiCl₄	Titanium tetrachloride	ticl4
763	ClO₄^-	perchlorate anion	clo4-
764	BF₄^-	tetrafluoroboron anion	bf4-
765	ClFO₃	Perchloryl fluoride	clfo3
766	SO₂F₂	Sulfuryl fluoride	so2f2
767	SO₂Cl₂	Sulfuryl chloride	so2cl2
768	F₃NO	Nitrogen trifluoride oxide	f3no
769	F₃PO	Phosphoryl fluoride	pf3o
770	Cl₃PO	Phosphoryl chloride	pcl3o
771	CF₄	Carbon tetrafluoride	cf4
772	SiF₄	Silicon tetrafluoride	sif4
773	CFCl₃	Trichloromonofluoromethane	cfcl3
774	CCl₄	Carbon tetrachloride	ccl4
775	CCl₄⁺	Carbon tetrachloride cation	ccl4+
776	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
777	SiCl₄	Silane, tetrachloro-	sicl4
778	CF₃I	trifluoroiodomethane	cf3i
779	CBrCl₃	Methane, bromotrichloro-	cbrcl3
780	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
781	GeCl₄	Germanium Tetrachloride	gecl4
782	CCl₃I	trichloroiodomethane	ccl3i
783	CFClBrI	fluorochlorobromoiodomethane	cfclbri
784	CF₂I₂	difluorodiiodomethane	cf2i2
785	CCl₂I₂	dichlorodiiodomethane	ccl2i2
786	CBr₃I	tribromoiododmethane	cbr3i
787	GeBr₄	Germanium tetrabromide	gebr4
788	CI₄	tetraiodomethane	ci4
789	SiI₄	silicon tetraiodide	sii4
790	C₂HF₃	Trifluoroethylene	c2hf3
791	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
792	CHClCCl₂	Trichloroethylene	chclccl2
793	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
794	HClO₄	perchloric acid	hclo4
795	HSO₃F	Fluorosulfonic acid	hso3f
796	CHClCCHCl	1,3-dichloroallene	chclcchcl
797	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
798	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
799	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
800	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
801	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
802	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
803	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
804	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
805	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
806	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
807	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
808	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
809	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
810	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
811	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
812	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
813	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
814	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
815	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
816	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
817	C₄H₉F	1-fluorobutane	butaf1
818	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
819	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
820	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
821	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
822	XeF₄	Xenon tetrafluoride	xef4
823	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
824	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
825	C₆H₄	Benzyne	benzyne
826	C₆H₅	phenyl	phenyl
827	C₆H₆	2,4-Hexadiyne	hexadiyne
828	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
829	C₆H₆	Benzene	benzene
830	C₆H₆⁺	Benzene cation	c6h6+
831	C₆H₈	(E)-hexa-1,3,5-triene	c821078
832	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
833	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
834	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
835	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
836	C₆H₈	3-Methylenecyclopentene	c930267
837	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
838	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
839	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
840	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
841	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
842	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
843	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
844	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
845	C₆H₁₀	1-Hexyne	hexyne1
846	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
847	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
848	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
849	C₆H₁₀	2-Hexyne	c764352
850	C₆H₁₀	cyclohexene	cyclohexene
851	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
852	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
853	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
854	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
855	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
856	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
857	C₆H₁₂	(E)-2-Hexene	e2hexene
858	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
859	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
860	C₆H₁₂	(Z)-hex-2-ene	z2hexene
861	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
862	C₆H₁₂	3-methylenepentane	c760214
863	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
864	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
865	C₆H₁₂	Cyclohexane	cyclohexane
866	C₆H₁₂	Cyclopentane, methyl-	c96377
867	C₆H₁₂	Ethylcyclobutane	c4806615
868	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
869	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
870	C₆H₁₄	Hexane	hexane
871	C₆H₁₄	Pentane, 2-methyl-	penta2
872	C₆H₁₄	Pentane, 3-methyl-	penta3
873	C₄N₂	2-Butynedinitrile	c4n2
874	C₂H₂N₄	sym-tetrazine	ttz
875	C₃H₃N₃	1,3,5-Triazine	triazine135
876	CH₃N₅	5-Aminotetrazole	c4418615
877	C₄H₄N₂	1,3-Diazine	diazine13
878	C₄H₄N₂	Pyrazine	pyrazine
879	C₄H₄N₂	Pyridazine	pyridazine
880	C₄H₄N₂	Succinonitrile	c110612
881	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
882	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
883	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
884	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
885	C₅H₅N	E-2,4-pentadienenitrile	bdcn
886	C₅H₅N	Pyridine	pyridine
887	B₃N₃H₆	borazine	borazine
888	C₆H₆	Fulvene	fulvene
889	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
890	C₅H₇N	(E)-2-Pentenenitrile	c26294984
891	C₅H₇N	(E)-3-Pentenenitrile	c16529661
892	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
893	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
894	C₅H₇N	Cyclobutanecarbonitrile	c4426113
895	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
896	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
897	C₅H₉N	Pentanenitrile	c110598
898	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
899	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
900	C₅H₁₁N	Cyclopentanamine	cypentam
901	C₅H₁₁N	Piperidine	piper
902	C₄H₁₂N₂	1,2-Butanediamine	c4426486
903	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
904	Li₂CO₃	Lithium Carbonate	li2co3
905	C₂O₄^--	oxalate anion	c2o4
906	N₂O₄	Dinitrogen tetroxide	n2o4
907	C₂H₃NO₃	Oxamic acid	oxamic
908	C₄H₄O₂	2(5H)-Furanone	furanone
909	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
910	C₂H₄N₂O₂	Oxalamide	oxalamide
911	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
912	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
913	C₂H₄O₄	Formic acid dimer	fadimer
914	C₄H₅NO	3-Methylisoxazole	isox3m
915	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
916	C₄H₅NS	4-Methylthiazole	c693958
917	C₅H₆O	2-methylfuran	furan2m
918	C₅H₆O	3-Methylfuran	furan3m
919	C₅H₆S	Thiophene, 2-methyl-	c554143
920	C₅H₆S	Thiophene, 3-methyl-	c616444
921	C₄H₆O₂	2,3-Butanedione	c431038
922	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
923	C₄H₆O₂	Crotonic Acid	crot
924	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
925	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
926	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
927	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
928	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
929	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
930	C₄H₆OS	Vinyl sulfoxide	c1115157
931	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
932	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
933	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
934	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
935	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
936	C₄H₇NO	2-Pyrrolidinone	c616455
937	C₄H₇NO	Methacrylamide	c79390
938	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
939	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
940	C₃H₇ONO	Propyl nitrite	prono
941	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
942	CH₃CH(NH₂)COOH	Alanine	alanine
943	CH₃NHCH₂COOH	Sarcosine	sarcosine
944	NH₂CH₂CH₂COOH	β–alanine	betaalanine
945	NH₂COOC₂H₅	Urethane	urethane
946	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
947	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
948	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
949	NH₂CONHC₂H₅	Urea, ethyl-	c625525
950	C₄H₈O₂	1,3-Dioxane	dioxan13
951	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
952	C₄H₈O₂	1,4-Dioxane	dioxan14
953	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
954	C₄H₈OS	s-Ethyl thioacetate	c625605
955	C₃H₈O₃	1,2,3-Propanetriol	glycerin
956	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
957	C₄H₉NO	Butanamide	c541355
958	C₄H₉NO	Propanamide, 2-methyl-	c563837
959	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
960	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
961	C₅H₁₀O	2-Pentanone	mpk
962	C₅H₁₀O	Cyclopentanol	c96413
963	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
964	C₅H₁₀O	Pentanal	pal
965	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
966	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
967	C₅H₁₀S	Cyclopentanethiol	c1679078
968	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
969	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
970	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
971	C₄H₁₀O₂	1,3-Butanediol	budiol13
972	C₄H₁₀O₂	1,4-Butanediol	budiol14
973	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
974	C₄H₁₀OS	Diethyl sulfoxide	c70291
975	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
976	C₄H₁₁NO	Diethylhydroxylamine	c3710847
977	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
978	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
979	C₅H₁₂O	1-Pentanol	pentanol1
980	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
981	C₅H₁₂O	2-Pentanol	peol2
982	C₅H₁₂O	3-Pentanol	pentan3ol
983	C₅H₁₂O	Butane, 1-methoxy-	meobu
984	C₅H₁₂O	Propane, 1-ethoxy-	proet
985	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
986	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
987	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
988	C₅H₁₂S	1-Pentanethiol	c110667
989	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
990	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
991	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
992	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
993	C₅H₁₂S	Ethyl propyl sulfide	c4110503
994	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
995	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
996	CF₃CN	Acetonitrile, trifluoro-	cf3cn
997	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
998	B₂F₄	Diboron tetrafluoride	b2f4
999	C₂F₄	Tetrafluoroethylene	c2f4
1000	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1001	C₂FCl₃	fluorotrichloroethene	c2fcl3
1002	C₂Cl₄	Tetrachloroethylene	c2cl4
1003	AsF₅	Arsenic pentafluoride	asf5
1004	PCl₅	Phosphorus pentachloride	pcl5
1005	SbCl₅	Antimony pentachloride	sbcl5
1006	BrF₅	bromine pentafluoride	brf5
1007	ClF₅	chlorinepentafluoride	clf5
1008	IF₅	pentafluoroiodine	if5
1009	CF₃CHO	trifluoroacetaldehyde	cf3cho
1010	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1011	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1012	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1013	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1014	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1015	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1016	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1017	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1018	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1019	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1020	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1021	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1022	C₆H₅CH₂	benzyl radical	benzyl
1023	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1024	C₆H₅CH₃	toluene	toluene
1025	C₇H₈	cycloheptatriene	cht
1026	C₇H₈	Norbornadiene	norbor
1027	C₇H₈	Quadricyclane	qucy
1028	C₇H₁₂	Norbornane	nor
1029	C₇H₁₆	2-methylhexane	2mhex
1030	C₇H₁₆	3-methylhexane	hex3m
1031	C₇H₁₆	heptane	heptane
1032	C₆H₇N	2-Methylpyridine	mp
1033	C₆H₅NH₂	aniline	aniline
1034	C₆H₁₃N	2-Methylpiperidine	pip2m
1035	C₆H₁₃N	cyclohexanamine	cham
1036	C₆H₁₅N	triethylamine	tea
1037	N₂O₅	Dinitrogen pentoxide	n2o5
1038	C₄H₂O₃	Maleic Anhydride	malan
1039	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1040	C₅H₄O₂	furfural	furfural
1041	C₆H₅O	phenoxy radical	phenoxy
1042	C₅H₅NO	2(1H)-Pyridinone	c72762006
1043	C₅H₅NO	2(3H)-Pyridinone	c9000048
1044	C₅H₅NO	2(5H)-Pyridinone	c9000037
1045	C₅H₅NO	2-Pyridinol	c109104
1046	C₅H₅NO	3(2H)-Pyridinone	c9000004
1047	C₅H₅NO	3(4H)-Pyridinone	c9000026
1048	C₅H₅NO	3(6H)-Pyridinone	c9000015
1049	C₅H₅NO	3-Pyridinol	c109002
1050	C₅H₅NO	4(1H)-Pryidinone	c9000060
1051	C₅H₅NO	4(3H)-Pryidinone	c9000059
1052	C₅H₅NO	4-Pyridinol	c626642
1053	C₆H₅OH	phenol	phenol
1054	C₆H₆O	2,4-Cyclohexadienone	c24599573
1055	C₆H₅SH	Benzenethiol	phsh
1056	C₄H₈O₂S	Sulfolane	sulfolane
1057	CH(C₂H₃)₃	trivinyl methane	tvm
1058	C₆H₁₀O	cyclohexanone	chexo
1059	C₆H₁₂O	hexanal	c6h12o
1060	C₃H₇OC₃H₇	di-n-propyl ether	propr
1061	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1062	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1063	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1064	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1065	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1066	C₆H₅F	Fluorobenzene	bzf
1067	C₆H₅Cl	chlorobenzene	bzcl
1068	C₆H₅Br	bromobenzene	bzbr
1069	C₆H₅CCH	phenylacetylene	phac
1070	C₆H₅CHCH₂	Styrene	styrene
1071	C₈H₈	cubane	cubane
1072	C₈H₈	cyclooctatetraene	cot
1073	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1074	CH₃C₆H₄CH₃	meta-xylene	mxylene
1075	CH₃C₆H₄CH₃	paraxylene	pxylene
1076	C₈H₁₆	cyclooctane	cyclooct
1077	C₈H₁₈	Octane	c8h18
1078	C₆H₅CN	phenyl cyanide	phcn
1079	C₄O₄^--	squarate dianion	c4o4--
1080	S₈	Octasulfur	s8
1081	C₆H₄O₂	parabenzoquinone	pbq
1082	C₄H₄N₂O₂	Uracil	uracil
1083	C₆H₅OCH₃	Anisole	anisole
1084	C₆H₁₂O₂	Methyl pivalate	c598981
1085	C₆H₁₂O₂	Hexanoic acid	hexa
1086	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1087	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1088	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1089	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1090	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1091	C₂F₆	hexafluoroethane	c2f6
1092	C₂Cl₆	hexachloroethane	c2cl6
1093	IF₇	Iodine heptafluoride	if7
1094	C₆H₄F₂	metadifluorobenzene	mdfb
1095	C₆H₄F₂	orthodifluorobenzene	odfb
1096	C₆H₄F₂	1,4-difluorobenzene	pdfb
1097	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1098	C₉H₁₂	n-propyl benzene	prbz
1099	C₅H₄N₄	purine	purine
1100	C₈H₇N	Indole	indole
1101	C₃H₃N₃O₃	cyanuric acid	cyanuric
1102	C₆H₅NO₂	Nitrobenzene	c6h5no2
1103	C₆H₅COOH	benzoic acid	benzo
1104	CH₃COC₆H₅	acetophenone	acph
1105	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1106	C₁₀H₁₆	adamantane	adamantane
1107	C₆N₄	Tetracyanoethylene	tcne
1108	C₆N₄^-	tetracyanoethylene anion	tcne-
1109	C₁₀H₂₂	Decane	decane
1110	C₄F₆	perfluorobutadiene	c4f6
1111	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1112	C₃F₈	perfluoropropane	c3f8
1113	Fe(CO)₅	Iron pentacarbonyl	ipc
1114	Fe(C₅H₅)₂	ferrocene	fecp2
1115	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1116	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1117	C₁₂H₈	Acenaphthylene	acenaph
1118	C₁₂H₁₀	biphenyl	biphenyl
1119	C₆H₁₂O₆	Inositol	inositol
1120	C₆F₆	hexafluorobenzene	c6f6
1121	C₁₃H₁₀	Fluorene	fluorene
1122	C₁₄H₁₀	Anthracene	anth
1123	C₁₄H₁₀	Phenanthrene	phenanthrene
1124	C₁₄H₁₄	Bibenzyl	bibenzyl
1125	C₁₆H₁₀	Pyrene	pyrene
1126	C₁₈H₁₂	Tetracene	tetracene
1127	C₁₉H₁₆	Triphenylmethane	tpm
1128	C₂₄H₁₂	Coronene	coronene
1129	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