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

List of which calculations are completed at CCSD /aug-cc-pVTZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H⁺	Hydrogen atom cation		K_h
4	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
5	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
6	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
7	He	Helium atom	¹S	K_h
8	He	Helium atom
9	He⁺	Helium atom cation	²S	K_h
10	HeH⁺	Helium hydride cation	¹Σ	C_∞v
11	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
12	Li	Lithium atom	²S	K_h
13	Li^-	Lithium atom anion	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	LiH	Lithium Hydride	¹Σ	C_∞v
16	LiH⁺	lithium hydride cation	²Σ	C_∞v
17	NaH	sodium hydride	¹Σ	C_∞v
18	NaH⁺	sodium hydride cation	²Σ	C_∞v
19	CuH	Copper monohydride	¹Σ	C_∞v
20	Be	Beryllium atom	¹S	K_h
21	Be⁺	Beryllium atom cation	²S	K_h
22	Mg	Magnesium atom	¹S	K_h
23	Mg⁺	Magnesium atom cation	²S	K_h
24	BeH	beryllium monohydride	²Σ	C_∞v
25	MgH	magnesium monohydride	²Σ	C_∞v
26	TiH	Titanium monohydride	⁴Φ	C_∞v
27	ZnH⁺	Zinc, protonated
28	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
29	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
30	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
31	BeH₂⁺	Beryllium dihydride cation
32	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
33	B	Boron atom	²P	K_h
34	B	Boron atom	⁴P	K_h
35	B⁺	Boron atom cation	¹S	K_h
36	Al	Aluminum atom	²P	K_h
37	Al^-	Aluminum atom anion	³P	K_h
38	Al⁺	Aluminum atom cation	¹S	K_h
39	Sc	Scandium atom	²D	K_h
40	Sc⁺	Scandium cation	³D	K_h
41	Ga	Gallium atom	²P
42	Ga^-	Gallium atom anion	³P	O_h
43	Ga⁺	Gallium atom cation	¹S
44	BH	Boron monohydride	¹Σ	C_∞v
45	BH	Boron monohydride	³Π	C_∞v
46	BH^-	boron monohydride anion	⁴Σ	C_∞v
47	ScH	Scandium monohydride	¹Σ	C_∞v
48	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
49	GaH	Gallium monohydride	¹Σ	C_∞v
50	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
51	BH₂^-	boron dihydride anion	³B₁	C_2v
52	BH₂^-	boron dihydride anion	¹A₁	C_2v
53	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
54	BH₃	boron trihydride	¹A₁^'	D_3h
55	BH₃⁺	boron trihydride cation	²B₂	C_2v
56	BH₃⁺	boron trihydride cation		C_2v
57	AlH₃	aluminum trihydride	¹A₁^'	D_3h
58	AlH₃^-	aluminum trihydride anion		C_3v
59	ScH₃	Scandium trihydride	¹A₁^'	D_3h
60	ScH₃	Scandium trihydride	¹A₁	C_3v
61	GaH₃	Gallium trihydride	¹A₁^'	D_3h
62	BH₄	borohydride	²B₂	C_2v
63	BH₄^-	borohydride anion	¹A₁	T_d
64	C	Carbon atom	³P₀	K_h
65	C	Carbon atom	³P₁	K_h
66	C^-	Carbon atom anion	²D	K_h
67	C⁺	Carbon atom cation	²P	K_h
68	Si	Silicon atom	³P	K_h
69	Si	Silicon atom	¹S	K_h
70	Si^-	Silicon atom anion	⁴S	K_h
71	Si⁺	Silicon atom cation	²P	K_h
72	Ge	Germanium atom	³P	K_h
73	Ge^-	Germanium anion	⁴S	K_h
74	Ge⁺	Germanium cation	²P	K_h
75	CH	Methylidyne	²Π_1/2	C_∞v
76	SiH	Silylidyne	²Π	C_∞v
77	SiH^-	silicon monohydride anion	³Σ	C_∞v
78	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
79	GeH	germylidene	²Π	C_∞v
80	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
81	CH₂	Methylene	³B₁	C_2v
82	CH₂	Methylene	³Σ_G	D_∞h
83	CH₂	Methylene	¹A₁	C_2v
84	CH₂^-	methylene anion	²B₁	C_2v
85	CH₂⁺	methylene cation	²A₁	C_2v
86	CH₂⁺	methylene cation	²Π	D_∞h
87	SiH₂	silicon dihydride	³B₁	C_2v
88	GeH₂	germylene	¹A₁	C_2v
89	GeH₂^-	germylene anion	²B₁	C_2v
90	CH₃	Methyl radical	²A₁	D_3h
91	CH₃^-	methyl anion	¹A₁	C_3v
92	CH₃⁺	methyl cation	¹A₁^'	D_3h
93	SiH₃	Silyl radical	²A₁	C_3v
94	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
95	GeH₃	Germyl radical	²A₁	C_3v
96	GeH₃⁺	germyl cation	¹A₁^'	D_3h
97	CD₄	methane-d4	¹A₁	T_d
98	CH₂D₂	methane-d2	¹A₁	C_2v
99	CH₃D	methane-d	¹A₁	C_3v
100	CH₄	Methane	¹A₁	T_d
101	CH₄^-	Methane anion	²A₁	T_d
102	CH₄^-	Methane anion	²A₁	C_3v
103	CHD₃	methane-d3	¹A₁	C_3v
104	SiH₂D₂	silane-d2
105	SiH₄	Silane	¹A₁	T_d
106	GeH₄	Germane	¹A₁	T_d
107	SiH₅⁺	Silane, protonated
108	N	Nitrogen atom	⁴S	K_h
109	N⁺	Nitrogen atom cation	³P	K_h
110	P	Phosphorus atom	⁴S	K_h
111	V	Vanadium atom	⁴F	K_h
112	V⁺	Vanadium atom cation	⁵D	K_h
113	As	Arsenic atomic	⁴S	K_h
114	As^-	Arsenic anion	³P	K_h
115	As⁺	Arsenic cation	³P	K_h
116	PH	phosphorus monohydride	³Σ^-	C_∞v
117	AsH	Arsenic monohydride	³Σ	C_∞v
118	AsH	Arsenic monohydride	¹Σ	C_∞v
119	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
120	NH₂	Amino radical	²B₁	C_2v
121	NH₂⁺	Amino cation	³B₁	C_2v
122	NH₂⁺	Amino cation	¹A₁	C_2v
123	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
124	NH₃	Ammonia	¹A₁	C_3v
125	NH₃^-	Ammonia anion	²A₁	C_3v
126	NH₃⁺	ammonia cation	²A₂^"	D_3h
127	PH₃	Phosphine	¹A₁	C_3v
128	PH₃⁺	Phosphine cation	²A₁	C_3v
129	AsH₃	Arsine	¹A₁	C_3v
130	AsH₃⁺	Arsine cation	²A₁	C_3v
131	AsH₄⁺	Arsonium
132	NH₄	Ammonium radical
133	NH₄⁺	ammonium cation	¹A₁	T_d
134	PH₄	Phosphoranyl radical
135	PH₄⁺	phosphonium cation
136	O	Oxygen atom	³S	K_h
137	O⁺	Oxygen atom cation	⁴S	K_h
138	S	Sulfur atom	³P	K_h
139	S	Sulfur atom
140	S^-	Sulfur atom anion	²P	K_h
141	S⁺	Sulfur atom cation	⁴S	K_h
142	Se	Selenium atom	³P	K_h
143	Se^-	Selenium atom anion	²P	K_h
144	Se⁺	Selenium atom cation	⁴S	K_h
145	OH	Hydroxyl radical	²Π	C_∞v
146	OH^-	hydroxide anion	¹Σ	C_∞v
147	OH⁺	hydoxyl cation	³Σ	C_∞v
148	DS	Mercapto-d	²Π	C_∞v
149	HS	Mercapto radical	²Π	C_∞v
150	HS^-	mercapto anion	¹Σ	C_∞v
151	HS⁺	sulfur monohydride cation	³Σ	C_∞v
152	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
153	HSe	Selenium monohydride	²Π	C_∞v
154	HSe^-	selenium monohydride anion	¹Σ	C_∞v
155	HSe⁺	selenium monohydride cation	³Σ	C_∞v
156	D₂O	Deuterium oxide	¹A₁	C_2v
157	H₂O	Water	¹A₁	C_2v
158	H₂O^-	water anion	²A₁	C_2v
159	H₂O^-	water anion	²A^'	C_s
160	H₂O⁺	water cation	²B₁	C_2v
161	HDO	Water-d1	¹A₁	C_2v
162	H₂S	Hydrogen sulfide	¹A₁	C_2v
163	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
164	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
165	H₂Se	Hydrogen selenide	¹A₁	C_2v
166	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
167	H₃O⁺	hydronium cation	¹A₁	C_3v
168	H₃S⁺	Sulfonium cation	¹A₁	C_3v
169	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
170	F	Fluorine atom	²P	K_h
171	F^-	Fluorine atom anion	¹S	K_h
172	F⁺	Fluorine atom cation	³S	K_h
173	F⁺	Fluorine atom cation	¹D	K_h
174	Cl	Chlorine atom	²P	K_h
175	Cl^-	Chlorine atom anion	¹S	K_h
176	Cl⁺	Chlorine atom cation	³P	K_h
177	Cl⁺	Chlorine atom cation	¹D	K_h
178	Br	Bromine atom	²P	K_h
179	Br^-	Bromine atom anion	¹S	K_h
180	Br⁺	Bromine atom cation	³P	K_h
181	HF	Hydrogen fluoride	¹Σ	C_∞v
182	HF^-	hydrogen fluoride anion	²Σ	C_∞v
183	HF⁺	hydrogen fluoride cation	²Π	C_∞v
184	HCl	Hydrogen chloride	¹Σ	C_∞v
185	HCl^-	hydrogen chloride anion	²Σ	C_∞v
186	HCl⁺	hydrogen chloride cation	²Π	C_∞v
187	HBr	hydrogen bromide	¹Σ	C_∞v
188	HBr^-	hydrogen bromide anion	²Σ	C_∞v
189	HBr⁺	hydrogen bromide cation	²Π	C_∞v
190	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
191	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
192	Ne	Neon atom	¹S	K_h
193	Ne	Neon atom
194	Ne⁺	Neon atom cation	²P	K_h
195	Ar	Argon atom	¹S	K_h
196	Kr	Krypton atom	¹S	K_h
197	Kr⁺	Krypton cation	²P	K_h
198	HeLi⁺	Helium Lithium cation
199	NeH	neon hydrogen	²Σ	C_∞v
200	ArH⁺	Argon hydride cation	¹Σ	C_∞v
201	KrH⁺	Protonated Krypton	¹Σ	C_∞v
202	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
203	Li₂	Lithium diatomic	¹Σ_g	D_∞v
204	NaLi	lithium sodium	¹Σ	C_∞v
205	Na₂	Sodium diatomic	¹Σ_g	D_∞h
206	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
207	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
208	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
209	Be₂	Beryllium diatomic	³Π_g	D_∞h
210	BeMg	Beryllium Magnesium	¹Σ	C_∞v
211	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
212	LiB	Lithium boride	³Π	C_∞v
213	LiAl	Lithium Aluminum
214	NaAl	Sodium aluminum	¹Σ	C_∞v
215	BeB	Beryllium monoboride	²Π	C_∞v
216	B₂	Boron diatomic	³Σ_g	D_∞h
217	B₂	Boron diatomic	¹Σ_g	D_∞h
218	B₂	Boron diatomic	⁵Σ_u	D_∞h
219	B₂⁺	Boron diatomic cation	²Π	D_∞h
220	BAl	Boron Aluminum	³Σ	C_∞v
221	BGa	Boron Gallium	³Σ	C_∞v
222	AlGa	Aluminum Gallium	³Σ	C_∞v
223	AlGa	Aluminum Gallium	¹Σ	C_∞v
224	Ga₂	Gallium diatomic	³P_iu
225	HBBH	Diborane(2)	³Σ_G	D_∞h
226	LiBH₄	Lithium borohydride	¹A₁	C_3v
227	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
228	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
229	B₂H₆	Diborane	¹A_g	D_2h
230	B₂H₆⁺	Diborane cation
231	Al₂H₆	dialane	¹A_G	D_2h
232	Ga₂H₆	digallane	¹A_G	D_2h
233	LiC	Lithium Carbide	⁴Σ	C_∞v
234	BeC	Beryllium Carbide	³Σ^-	C_∞v
235	BeC	Beryllium Carbide
236	BC	boron monocarbide	⁴Σ^-	C_∞v
237	AlC	Aluminum carbide	⁴Σ	C_∞v
238	BSi	Boron silicide	⁴Σ	C_∞v
239	BSi	Boron silicide	²Σ	C_∞v
240	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
241	C₂	Carbon diatomic	³Σ_g^-
242	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
243	SiC	silicon monocarbide	³Σ	C_∞v
244	SiC	silicon monocarbide	¹Σ	C_∞v
245	GeC	Germanium monocarbide	¹Σ	C_∞v
246	SiGe	Silicon Germanium
247	C₂H	Ethynyl radical	²Σ	C_∞v
248	C₂H^-	Ethynyl anion	¹Σ	C_∞v
249	C₂H₂	Acetylene	¹Σ_g	D_∞h
250	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
251	C₂H₂⁺	acetylene cation
252	CCH₂	vinylidene	³B₂	C_2v
253	H₂CC^-	vinylidene anion
254	HCCH^-	acetylene anion
255	HCCH^-	acetylene anion
256	Si₂H₂	disilyne
257	Si₂H₂	disilyne
258	Si₂H₂	disilyne
259	Si₂H₂	disilyne
260	CH₃Li	methyl lithium	¹A₁	C_3v
261	CH₂BH	methyleneborane	¹A₁	C_2v
262	C₂H₃	vinyl	²A^'	C_s
263	C₂H₃^-	vinyl anion	¹A^'	C_s
264	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
265	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
266	C₂H₄	Ethylene	¹A_g	D_2h
267	C₂H₄^-	Ethylene anion	²A_g	C_2h
268	C₂H₄⁺	Ethylene cation	²B₃	D₂
269	Si₂H₄	Disilene
270	Si₂H₄	Disilene
271	Si₂H₄	Disilene
272	CH₃BH₂	methylborane	¹A^'	C_s
273	C₂H₅	Ethyl radical	²A^'	C_s
274	C₂H₅^-	Ethyl anion	¹A^'	C_s
275	C₂H₆	Ethane	¹A_1g	D_3d
276	C₂H₆	Ethane	¹A₁^'	D_3h
277	Si₂H₆	disilane	¹E_u	D_3d
278	GeH₃CH₃	methyl germane	¹A₁	C_3v
279	LiN	Lithium Nitride	³Σ	C_∞v
280	LiP	Lithium monophosphide
281	LiP	Lithium monophosphide
282	BeN	Beryllium mononitride	⁴Σ	C_∞v
283	BeN	Beryllium mononitride	²Π	C_∞v
284	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
285	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
286	MgN	Magnesium Nitride
287	MgN	Magnesium Nitride
288	BP	Boron monophosphide	³Π	C_∞v
289	BP	Boron monophosphide	¹Σ	C_∞v
290	AlP	Aluminum monophosphide	³Σ	C_∞v
291	AlP	Aluminum monophosphide	³Π	C_∞v
292	AlP	Aluminum monophosphide	¹Σ	C_∞v
293	GaN	Gallium mononitride	³Π	C_∞v
294	GaN	Gallium mononitride	¹Σ	C_∞v
295	GaP	Gallium monophosphide	³Σ	C_∞v
296	GaP	Gallium monophosphide	¹Σ	C_∞v
297	GaAs	Gallium arsenide	³Π
298	GaAs	Gallium arsenide	¹Σ
299	BN	boron nitride	³Π	C_∞v
300	BN	boron nitride	¹Σ	C_∞v
301	CN	Cyano radical	²Σ	C_∞v
302	CN^-	cyanide anion	¹Σ	C_∞v
303	SiP	Silicon monophosphide	²Π	C_∞v
304	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
305	N₂	Nitrogen diatomic
306	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
307	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
308	PN	Phosphorus mononitride	¹Σ	C_∞v
309	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
310	AsN	Arsenic mononitride	¹Σ	C_∞v
311	AsP	Arsenic monophosphide	¹Σ	C_∞v
312	HNC	hydrogen isocyanide	¹Σ	C_∞v
313	HCN	Hydrogen cyanide	¹Σ	C_∞v
314	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
315	HNC⁺	hydrogen isocyanide cation
316	HCP	Phosphaethyne	¹Σ	C_∞v
317	HCP⁺	Phosphaethyne cation
318	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
319	LiNH₂	lithium amide
320	HBNH	Boranimine	¹Σ	C_∞v
321	CNH₂	Aminomethylidyne radical	²B₂	C_2v
322	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
323	HCNH	methyleneazane	²A^'	CS cis
324	HCNH	methyleneazane	²A^'	CS trans
325	H₂NN	Isodiazene
326	N₂H₂	(E)-diazene	¹A_g	C_2h
327	N₂H₂	(Z)-Diazene	¹A₁	C_2v
328	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
329	CH₂NH	Methanimine	¹A^'	C_s
330	CH₂NH⁺	Methanimine cation
331	CHNH₂	aminomethylene
332	CHNH₂⁺	Aminocarbene cation
333	CH₂PH	Phosphaethene	¹A^'	C_s
334	BH₂NH₂	Boranamine
335	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
336	N₂H₄	Hydrazine	¹A	C₂
337	N₂H₄⁺	hydrazine cation	²A_G	C_2h
338	CH₃NH₂	methyl amine	¹A^'	C_s
339	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
340	CH₃PH₂	Methyl phosphine	¹A^'	C_s
341	SiH₃NH₂	Silane, amino
342	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
343	BH₃PH₃	borane phosphine
344	BH₃NH₃	borane ammonia	¹A₁	C_3v
345	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
346	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
347	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
348	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
349	N₂H₇⁺	ammonia ammonium dimer
350	LiO	lithium oxide	²Σ	C_∞v
351	LiS	Lithium monosulfide	²Π	C_∞v
352	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
353	NaO	sodium monoxide	²Σ	C_∞v
354	NaS	Sodium sulfide	²Π	C_∞v
355	LiSe	Lithium monoselenide
356	BeO	beryllium oxide	¹Σ	C_∞v
357	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
358	ZnO	zinc monoxide	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	CS	carbon monosulfide	¹Σ	C_∞v
367	SiO	Silicon monoxide	¹Σ	C_∞v
368	SiS	silicon monosulfide	¹Σ	C_∞v
369	TiO	Titanium monoxide	³Δ	C_∞v
370	CSe	Carbon monoselenide	¹Σ	C_∞v
371	GeO	Germanium monoxide	¹Σ	C_∞v
372	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
373	GeS	Germanium monosulfide	¹Σ	C_∞v
374	SiSe	Silicon Monoselenide
375	SiSe⁺	Silicon Monoselenide cation
376	GeSe	Germanium monoselenide
377	NO	Nitric oxide	²Π	C_∞v
378	NO^-	nitric oxide anion	³Σ	C_∞v
379	NO⁺	nitric oxide cation	¹Σ	C_∞v
380	NS	Mononitrogen monosulfide	²Π	C_∞v
381	NS^-	nitrogen sulfide anion	³Σ	C_∞v
382	PO	Phosphorus monoxide	²Π	C_∞v
383	PS	phosphorus sulfide	²Σ	C_∞v
384	VO	Vanadium monoxide	⁴Σ^-
385	NSe	Nitrogen monoselenide	²Π	C_∞v
386	AsS	Arsenic monosulfide	²Π	C_∞v
387	PSe	Phosphorus monoselenide	²Π	C_∞v
388	AsSe	Arsenic monoselenide	²Π	C_∞v
389	O₂	Oxygen diatomic	³Σ_g	D_∞h
390	O₂	Oxygen diatomic	¹Δ_g	D_∞h
391	O₂^-	oxygen diatomic anion	²Π	D_∞h
392	O₂^--	dioxygen dianion
393	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
394	SO	Sulfur monoxide	³Σ	C_∞v
395	SO	Sulfur monoxide	¹Σ	C_∞v
396	SO⁺	sulfur monoxide cation	²Π	C_∞v
397	S₂	Sulfur diatomic	³Σ_g	D_∞h
398	SeO	Selenium monoxide	³Σ	C_∞v
399	Se₂	Selenium diatomic	³Σ_g	D_∞h
400	LiOH	lithium hydroxide	¹Σ	C_∞v
401	BeOH	beryllium monohydroxide	²A^'	C_s
402	BeOH	beryllium monohydroxide	²Σ	C_∞v
403	HBO	Boron hydride oxide	¹Σ	C_∞v
404	HBS	hydrogen boron sulfide	¹Σ	C_∞v
405	COH	Hydroxymethylidyne
406	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
407	HCO	Formyl radical	²A^'	C_s
408	HCO^-	formyl anion	¹A^'	C_s
409	HCO⁺	Formyl cation	¹Σ	C_∞v
410	HNO	Nitrosyl hydride	¹A^'	C_s
411	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
412	NOH	Hydroxyimidogen	³A^"	C_s
413	NOH⁺	O-protonated nitric oxide	²A^'	C_s
414	HO₂	Hydroperoxy radical	²A^"	C_s
415	HO₂⁺	Hydroperoxy cation	³A^"	C_s
416	HSO⁺	Sulfur Monoxide, S-protonated
417	SOH	Sulfur Hydroxide
418	SOH⁺	Sulfur Monoxide, protonated
419	HS₂	Thiosulfeno radical	²A^"	C_s
420	H₂CO	Formaldehyde	¹A₁	C_2v
421	H₂CO^-	formaldehyde anion	²A^'	C_s
422	H₂CO^-	formaldehyde anion
423	H₂CO⁺	formaldehyde cation	²B₂	C_2v
424	HOCH	hydroxycarbene	¹A^'	CS trans
425	HOCH	hydroxycarbene	¹A^'	CS cis
426	H₂CS	Thioformaldehyde	¹A₁	C_2v
427	H₂CS^-	thioformaldehyde anion
428	H₂CS^-	thioformaldehyde anion
429	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
430	H₂CSe	Selenoformaldehyde
431	H₂NO	nitroxide	²B₁	C_2v
432	H₂NO	nitroxide	²A^'	C_s
433	H₂O₂	Hydrogen peroxide	¹A	C₂
434	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
435	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
436	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
437	H₂OO	water oxide
438	HOSH	hydrogen thioperoxide
439	H₂S₂	Disulfane	¹A	C₂
440	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
441	H₂Se₂	hydrogen diselenide
442	CH₂OH	Hydroxymethyl radical	²A	C₁
443	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
444	CH₃O^-	methoxy anion	¹A₁	C_3v
445	CH₃O⁺	Methoxy cation	³A₁	C_3v
446	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
447	NH₂OH	hydroxylamine	¹A^'	C_s
448	NH₂OH⁺	Hydroxylamine cation
449	NH₃O	Ammonia Oxide	¹A₁	C_3v
450	H₂POH	Phosphinous acid	¹A₁^'	CS trans
451	H₂POH	Phosphinous acid	¹A₁^'	CS cis
452	H₃PO	Phosphine oxide	¹A₁	C_3v
453	NH₂SH	Thiohydroxylamine
454	NH₂SH	Thiohydroxylamine
455	NH₃S	sulfidoazane
456	CH₃OH	Methyl alcohol	¹A^'	C_s
457	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
458	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
459	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
460	CH₃OH⁺	Methyl alcohol cation	²A	C₁
461	CH₃SH	Methanethiol	¹A^'	C_s
462	CH₃SH⁺	Methanethiol cation	²A^"	C_s
463	SiH₃OH	silanol
464	CH₃SeH	Methane selenol	¹A^'	C_s
465	NH₂OH₂⁺	protonated hydroxylamine
466	NH₃OH⁺	N-protonated hydroxylamine
467	H₂OH₂O	water dimer	¹A^'	C_s
468	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
469	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
470	LiF	lithium fluoride	¹Σ	C_∞v
471	LiCl	lithium chloride	¹Σ	C_∞v
472	NaF	sodium fluoride	¹Σ	C_∞v
473	NaF⁺	sodium fluoride cation	²Σ	C_∞v
474	NaCl	Sodium Chloride	¹Σ	C_∞v
475	LiBr	Lithium Bromide	¹Σ	C_∞v
476	LiF⁺	lithium fluoride cation	²Π	C_∞v
477	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
478	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
479	TiCl	Titanium Monochloride	⁴Σ	C_∞v
480	ZnF	Zinc monofluoride	²Σ	C_∞v
481	BF	Boron monofluoride	¹Σ	C_∞v
482	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
483	AlCl	Aluminum monochloride	¹Σ	C_∞v
484	ScF	Scandium monofluoride	¹Σ	C_∞v
485	BBr	Boron monobromide	¹Σ	C_∞v
486	GaF	Gallium monofluoride	¹Σ	C_∞v
487	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
488	AlBr	Aluminum monobromide
489	GaCl	Gallium monochloride	¹Σ_G	C_∞v
490	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
491	GaBr	Gallium monobromide
492	CF	Fluoromethylidyne	²Π	C_∞v
493	SiF	silicon monofluoride	²Π	C_∞v
494	SiF^-	silicon monofluoride anion	³Σ	C_∞v
495	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
496	SiCl	Clorosilylidyne	²Π	C_∞v
497	CBr	Carbon monobromide	²Π	C_∞v
498	GeF	Germanium monofluoride	²Π	C_∞v
499	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
500	GeCl	Germanium monochloride	²Π	C_∞v
501	GeCl⁺	Germanium monochloride cation
502	SiBr	Silicon monobromide	²Π	C_∞v
503	SiBr⁺	Silicon monobromide cation
504	NCl	nitrogen monochloride	³Σ	C_∞v
505	AsF	Arsenic monofluoride	³Σ	C_∞v
506	AsF	Arsenic monofluoride	¹Δ	C_∞v
507	NBr	nitrogen monobromide	³Σ^-	C_∞v
508	AsCl	Arsenic monochloride	³Σ	C_∞v
509	PBr	Phosphorus monobromide
510	FO	Oxygen monofluoride	²Π	C_∞v
511	ClO	Monochlorine monoxide	²Π	C_∞v
512	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
513	SF	Monosulfur monofluoride	²Π	C_∞v
514	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
515	SCl	sulfur monochloride	²Π	C_∞v
516	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
517	BrO	Bromine monoxide	²Π	C_∞v
518	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
519	BrO⁺	Bromine monoxide cation
520	SeF	Selenium monofluoride	²Π	C_∞v
521	SBr	Sulfur monobromide radical
522	SBr⁺	Sulfur monobromide cation
523	SeCl	Selenium monochloride	²Π	C_∞v
524	SeBr	Selenium monobromide
525	BrCl	Bromine monochloride	¹Σ	C_∞v
526	F₂	Fluorine diatomic	¹Σ_g	D_∞h
527	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
528	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
529	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
530	ClF⁺	clorine monofluoride cation	²Π	C_∞v
531	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
532	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
533	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
534	BrF	Bromine monofluoride	¹Σ	C_∞v
535	Br₂	Bromine diatomic	¹Σ_g	D_∞h
536	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
537	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
538	HCF	Fluoromethylene	¹A^'	C_s
539	HCF	Fluoromethylene	³A^"	C_s
540	HCCl	Chloromethylene	¹A^'	C_s
541	HCCl	Chloromethylene	³A^"	C_s
542	HSiF	fluorosilylene
543	HSiCl	Chlorosilylene
544	HSiBr	monobromosilylene
545	HOF	Hypofluorous acid	¹A^'	C_s
546	HOCl	hypochlorous acid	¹A^'	C_s
547	HOCl⁺	hypochlorous acid cation
548	HOBr	Hypobromous acid	¹A^'	C_s
549	HOBr⁺	Hypobromous acid cation	²A^"	C_s
550	F₂H⁺	Fluorine, protonated	¹A^'	C_s
551	ClFH⁺	Chlorine fluoride, F-protonated
552	FClH⁺	Chlorine fluoride, Cl-protonated
553	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
554	CH₂Br	bromomethyl radical
555	CH₂F	fluoromethyl radical	²A	C_s
556	CH₂F⁺	fluoromethyl cation
557	CH₂Cl⁺	chloromethyl cation
558	CH₂Cl	chloromethyl radical	²A^'	C_s
559	CH₂Cl	chloromethyl radical	²B₁	C_2v
560	NH₂Cl	chloramine	¹A^'	C_s
561	CH₃F⁺	methyl fluoride cation
562	CD₃F	methylfluoride-d3	¹A₁	C_3v
563	CH₃F	Methyl fluoride	¹A₁	C_3v
564	CD₃Cl	methyl chloride d3	¹A₁	C_3v
565	CH₃Cl	Methyl chloride	¹A₁	C_3v
566	CH₃Cl⁺	Methyl chloride cation
567	SiH₃F	monofluorosilane	¹A₁	C_3v
568	SiH₃Cl	chlorosilane	¹A₁	C₁
569	CH₃Br	methyl bromide	¹A₁	C_3v
570	GeH₃F	monofluorogermane
571	GeH₃Cl	monochlorogermane
572	SiH₃Br	bromosilane	¹A₁	C_3v
573	NH₃Cl⁺	protonated monochloroammonia
574	CH₃ClH⁺	methyl chloride, protonated
575	NH₄Cl	Ammonium chloride
576	LiNe⁺	Lithium Neon cation
577	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
578	Ar₂	Argon diatomic	¹S_g	D_∞h
579	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
580	Li₃	Lithium trimer	²B₂	C_2v
581	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
582	C₃	carbon trimer	¹Σ_g	D_∞h
583	C₃	carbon trimer	¹A₁	C_2v
584	SiC₂	Silicon dicarbide
585	C₃H₃	cyclopropenyl radical	²A^'	C_s
586	C₃H₄	cyclopropene	¹A₁	C_2v
587	CH₂CCH₂	allene	¹A₁	D_2d
588	CH₃CCH	propyne	¹A^'	C_3v
589	C₃H₅	Allyl radical	²A₂	C_2v
590	C₃H₅	Allyl radical	²A^"	C_s
591	CH₃CHCH	1-propenyl radical	²A^'	C_s
592	C₃H₆	Cyclopropane	¹A₁^'	D_3h
593	CH₂CHCH₃	Propene	¹A^'	C_s
594	C₃H₇	n-Propyl radical	²A^"	C₁
595	C₃H₇⁺	cyclopropane, protonated
596	CH₃CHCH₃	Isopropyl radical	²A	C₂
597	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
598	C₃H₈	Propane	¹A₁	C_2v
599	SiH₂(CH₃)₂	dimethylsilane	¹A₁	C_2v
600	Si₃H₈	trisilane
601	LiCN	lithium cyanide	¹Σ	C*V LiCN
602	LiCN	lithium cyanide	¹A^'	C_s
603	LiCN	lithium cyanide	¹Σ	C*V LiNC
604	NaCN	Sodium Cyanide	¹Σ	C_∞v
605	NaCN	Sodium Cyanide	¹A	C_s
606	NaCN	Sodium Cyanide	¹Σ	C_∞v
607	ZnCN	Zinc monocyanide	²Σ	C_∞v
608	ZnNC	Zinc isocyanide	²Σ	C_∞v
609	AlCN	Aluminum monocyanide
610	AlNC	Aluminum isocyanide
611	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
612	CNN	Diazocarbene
613	NCN	Cyanoimidogen	³Σ_g	D_∞h
614	NCN	Cyanoimidogen	¹Σ_g	D_∞h
615	N₃	azide radical	²Π_g	D_∞h
616	N₃⁺	azide cation	³Σ_g	D_∞h
617	N₃⁺	azide cation	³Σ	C_∞v
618	HCCN	cyanomethylene	³A^"	C_s
619	HCCN	cyanomethylene	³Σ	C_∞v
620	HCCN	cyanomethylene
621	HN₃	hydrogen azide	¹A^'	C_s
622	HN₃⁺	Hydrazoic acid cation
623	HNCNH	diiminomethane	¹A	C₂
624	NH₂CN	cyanamide	¹A₁	C_2v
625	HNNNH⁺	1,2-Triazadienium
626	NH₂NN⁺	hydrazoic acid, protonated
627	CH₃CN	Acetonitrile	¹A₁	C_3v
628	CH₃CN^-	acetonitrile anion	²E	C_3v
629	CH₃CN^-	acetonitrile anion	²A^'	C_s
630	CH₃NC	methyl isocyanide	¹A₁	C_3v
631	CHNCH₂	2H-Azirine
632	CHNHCH	1H-Azirine
633	H₂CCNH	Ethenimine
634	H₂CNCH	methyleneaminomethylene
635	HCCNH₂	Ethynamine
636	HCNCH₂⁺	2H-Azirine cation
637	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
638	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
639	NH₂CNH⁺	cyanamide, cn protonated
640	NH₃CN⁺	cyanamide, amine protonated
641	CH₂CHNH	vinylazine	²A^"	CS cis
642	CH₂CHNH	vinylazine	²A^"	CS trans
643	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
644	CH₃CHNH	ethanimine	¹A^'	CS NH down
645	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
646	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
647	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
648	CH₃CH₂NH₂	Ethylamine
649	CH₃NHCH₃	Dimethylamine	¹A^'	C_s
650	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
651	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
652	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
653	Li₂O	dilithium oxide	¹Σ_g	D_∞h
654	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
655	Li₂S	dilithium sulfide	¹A₁	C_2v
656	Na₂O	disodium monoxide	¹Σ_g	Linear
657	Na₂O	disodium monoxide	¹A₁	C_2v
658	Na₂S	Sodium sulfide
659	Na₂S	Sodium sulfide
660	LiO₂	Lithium dioxide
661	NaO₂	Sodium superoxide
662	CCO	Dicarbon monoxide	³Σ	C_∞v
663	CCO	Dicarbon monoxide	¹Π	C_∞v
664	NCO	isocyanato radical	²Π	C_∞v
665	N₂O	Nitrous oxide	¹Σ	C_∞v
666	N₂O^-	Nitrous oxide anion	²A^'	C_s
667	NNS	Nitrogen sulfide	¹Σ	C_∞v
668	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
669	CO₂	Carbon dioxide	¹Σ_g	D_∞h
670	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
671	OCS	Carbonyl sulfide	¹Σ	C_∞v
672	CS₂	Carbon disulfide	¹Σ_g	D_∞h
673	CS₂^-	Carbon disulfide anion	²A₁	C_2v
674	TiO₂	Titanium dioxide	¹A₁	C_2v
675	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
676	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
677	OCSe	Carbonyl selenide	¹Σ	C_∞v
678	SCSe	Carbon sulfide selenide
679	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
680	CSe₂	Carbon diselenide	¹A₁	D_∞h
681	NO₂	Nitrogen dioxide	²A₁	C_2v
682	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
683	NSO	sulfinyl amidogen
684	SNO	Nitrogen oxide sulfide
685	AsO₂	Aresenic dioxide	²A₁	C_2v
686	O₃	Ozone	¹A₁	C_s
687	SO₂	Sulfur dioxide	¹A₁	C_2v
688	SSO	Disulfur monoxide	¹A^'	C_s
689	S₃	Sulfur trimer	¹A₁	C_2v
690	S₃	Sulfur trimer
691	S₃⁺	Sulfur trimer cation	²B₂	C_2v
692	SeO₂	Selenium dioxide	¹A₁	C_2v
693	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
694	HCCO	ketenyl radical	²Π	C_∞v
695	HCCO	ketenyl radical	²A^"	C_s
696	HCNO	fulminic acid	¹Σ	C_∞v
697	HCNO	fulminic acid	¹A^'	C_s
698	HNCS	Isothiocyanic acid
699	HSCN	thiocyanic acid	¹A^'	C_s
700	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
701	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
702	HCOO	formate neutral radical	²A^'	C_s
703	HOCO	Hydrocarboxyl radical	¹A^'	cis
704	HOCO	Hydrocarboxyl radical	¹A^'	trans
705	O₃H⁺	protonated ozone	¹A^'	C_s
706	O₃H⁺	protonated ozone
707	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
708	C₂H₂O	Oxirene	¹A₁	C_2v
709	CH₂CO	Ketene	¹A₁	C_2v
710	CH₂CS	Thioketene
711	Be(OH)₂	Beryllium hydroxide
712	NH₂NO	Nitrosamide	¹A	C₁
713	CH₂O₂	Dioxirane	¹A₁	C_2v
714	H₂COO	Dioxymethyl radical	²A^'	C_s
715	H₂COO⁺	dioxymethyl cation	²A^'	C_s
716	HCOOH	Formic acid	¹A^'	C_s
717	HCOOH	Formic acid
718	H₂O₃	Hydrogen trioxide	¹A	C₂
719	HSSSH	trisulfane	¹A^'	C_s
720	NaOCH₃	Sodium methoxide	¹A₁	C_3v
721	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
722	BH₃CO	Borane carbonyl	¹A₁	C_3v
723	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
724	CH₂COH⁺	ketene, protonated
725	CH₂NOH	formaldoxime	¹A^'	C_s
726	CH₃NO	nitrosomethane	¹A^'	C_s
727	CHONH₂	formamide	¹A^'	Planar
728	CHONH₂	formamide	¹A	Non-Planar
729	CNOH₃	1,2-oxaziridine	¹A	C₁
730	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
731	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
732	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
733	CHSNH₂	thioformamide
734	NHCHSH	Methanimidothioic acid
735	C₂H₄O	Ethylene oxide	¹A₁	C_2v
736	C₂H₄O⁺	ethylene oxide cation
737	CH₃CHO	Acetaldehyde	¹A^'	C_s
738	CH₃CHO⁺	acetaldehyde cation
739	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
740	C₂H₄S	Thiirane	¹A₁	C_2v
741	CH₂CHSH	Ethenethiol
742	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
743	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
744	NH₂CHOH⁺	Formamide, O-protonated
745	CH₂(OH)₂	methanediol	¹A	C₂
746	CH₃SSH	Hydrogen methyl disulfide
747	HSCH₂SH	Methanedithiol
748	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
749	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
750	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
751	NH₂CH₂OH	aminomethanol
752	CH₃CH₂OH	Ethanol	¹A^'	C_s
753	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
754	CH₃CH₂SH	ethanethiol	¹A^'	C_s
755	CH₃CH₂SH	ethanethiol	¹A	C₁
756	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
757	CH₃SCH₃⁺	dimethyl sulfide cation
758	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
759	CuF₂	Copper difluoride	²Π_g	D_∞h
760	CNF	iso cyanogen fluoride	¹Σ	C_∞v
761	FCN	Cyanogen fluoride	¹Σ	C_∞v
762	ClCN	chlorocyanogen	¹Σ	C_∞v
763	BrCN	Cyanogen bromide	¹Σ	C_∞v
764	FBO	Boron monofluoride monoxide
765	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
766	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
767	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
768	BeBr₂	Beryllium bromide
769	FCO	Carbonyl fluoride	²A^'	C_s
770	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
771	ClCO	carbonyl monochloride	²A^'	C_s
772	BF₂	Boron difluoride radical	²A₁	C_2v
773	FNO	Nitrosyl fluoride	¹A^'	C_s
774	ClNO	Nitrosyl chloride	¹A^'	C_s
775	FNS	Thionitrosyl fluoride	¹A^'	C_s
776	FSN	Thiazyl fluoride	¹A^'	C_s
777	OPCl	Phosphorus oxychloride
778	CF₂	Difluoromethylene	¹A₁	D_∞h
779	CFCl	chlorofluoromethylene	¹A^'	C_s
780	SiF₂	Silicon difluoride	¹A₁	C_2v
781	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
782	GeF₂	Germanium difluoride	¹A₁	C_2v
783	GeCl₂	Germanium dichloride	¹A₁	C_2v
784	CBr₂	dibromomethylene	¹A₁	C_2v
785	CBr₂	dibromomethylene	³B₁	C_2v
786	FOO⁺	Fluorine dioxide cation
787	OClO	Chlorine dioxide	²B₁	D_∞h
788	OClO^-	Chlorine dioxide anion	¹A^'	C_s
789	ClSO	Sulfur chloride oxide	²A^"	C_s
790	BrOO	Bromine dioxide
791	PF₂	Phosphorus difluoride
792	PF₂⁺	Phosphorus difluoride cation
793	FClO	chlorosyl fluoride	¹A^'	C_s
794	F₂O	Difluorine monoxide	¹A₁	C_2v
795	ClOF	Chlorine hypofluorite	¹A^'	C_s
796	SF₂	sulfur difluoride	¹A₁	C_2v
797	SF₂^-	sulfur difluoride anion	²A^'	C_s
798	SF₂^-	sulfur difluoride anion	²Π	D_∞h
799	SCl₂	Sulfur dichloride	¹A₁	C_2v
800	SeF₂	Selenium difluoride
801	SeCl₂	Selenium Dichloride
802	SBr₂	Sulfur dibromide
803	SeBr₂	Selenium dibromide
804	F₃^-	trifluoride anion	¹Σ_g	D_∞h
805	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
806	Br₃^-	tribromide anion
807	SFCl	Sulfur chloride fluoride
808	HCCF	Fluoroacetylene	¹Σ	C_∞v
809	HCCCl	Chloroacetylene	¹Σ	C_∞v
810	HCCBr	bromoacetylene	¹Σ	C_∞v
811	HFCO	formyl fluoride	¹A^'	C_s
812	HFCO⁺	formyl fluoride cation	²A^'	C_s
813	CHCl₂	dichloromethyl radical	²B₁	C_2v
814	CHCl₂	dichloromethyl radical	²A^'	C_s
815	CHF₂	difluoromethyl radical	²A	C_s
816	CHF₂⁺	difluoromethyl cation
817	CHFCl	Chlorofluoromethyl radical
818	CHFCl⁺	Chlorofluoromethyl cation
819	CHCl₂⁺	dichloromethyl cation
820	CHBr₂	dibromomethyl radical
821	NHF₂	difluoramine
822	NHCl₂	dichloroamine
823	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
824	CH₂FCl	fluorochloromethane	¹A^'	C_s
825	SiH₂F₂	difluorosilane
826	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
827	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
828	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
829	CH₂Br₂	dibromomethane	¹A₁	C_2v
830	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
831	CH₃MgBr	Methyl Magnesium Bromide
832	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
833	C₂H₃Cl	Ethene, chloro-	¹A^'	C_s
834	C₂H₃Br	vinyl bromide	¹A^'	C_s
835	CH₂FOH	fluoromethanol
836	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
837	CHClCH₃	1-chloroethyl radical	²A	C₁
838	C₂H₅F	fluoroethane	¹A^'	C_s
839	CH₃CH₂Cl	Ethyl chloride	¹A^'	C_s
840	C₂H₅Br	Ethyl bromide	¹A^'	C_s
841	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
842	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
843	C₄	Carbon tetramer	³Σ_g	D_∞h
844	C₄	Carbon tetramer
845	C₄H₂	Diacetylene	¹Σ_g	D_∞h
846	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
847	C₂H₃CCH	1-Buten-3-yne	¹A^'	C₁
848	C₄H₄	cyclobutadiene	¹A_g	D_2h
849	C₄H₄	Tetrahedrane
850	C₄H₆	1-Methylcyclopropene	¹A	C₁
851	C₄H₆	Cyclobutene	¹A₁	C_2v
852	C₄H₆	Methylenecyclopropane	¹A₁	C_2v
853	CH₂CCHCH₃	1,2-Butadiene	¹A^'	C₁
854	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
855	C₄H₈	methylcyclopropane	¹A^'	C_s
856	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	¹A₁	C_2v
857	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
858	CH₃CHCHCH₃	2-Butene, (Z)-	¹A₁	C_2v
859	CH₃CH(CH₃)CH₃	Isobutane	¹A₁	C_3v
860	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
861	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
862	Li₃N	trilithium nitride	¹A^'	D_3h
863	Li₃N	trilithium nitride	¹A₁	C_3v
864	C₂N₂	Cyanogen	¹Σ_g	D_∞h
865	As₄	Arsenic tetramer	¹A₁	T_d
866	HCCCN	Cyanoacetylene	¹Σ	C_∞v
867	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
868	H₂CNCN	cyanamide, methylene
869	HNCCNH	Ethenediimine
870	C₃H₃N	acrylonitrile	¹A^'	C_s
871	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
872	CH₃N₃	methyl azide	¹A^'	C_s
873	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
874	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
875	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
876	C₂H₅CN	ethyl cyanide	¹A^'	C_s
877	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
878	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
879	H₂NCHCHNH₂	diaminoethylene
880	C₃H₇N	Cyclopropylamine	¹A^'	C₁
881	CH₇N₃	triaminomethane
882	C₄H₈	cyclobutane	¹A₁	D_2d
883	CH₃CH(NH₂)CH₃	2-Propanamine	¹A^'	C_s
884	N(CH₃)₃	Trimethylamine	¹A₁	C_3v
885	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
886	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
887	N(SiH₃)₃	trisilylamine
888	(CH₃)₃NH⁺	protonated trimethyl amine
889	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
890	Na₂O₂	disodium dioxide
891	C₃O	Tricarbon monoxide	¹Σ	C_∞v
892	ONNO	NO dimer	¹A_g	trans C2H
893	ONNO	NO dimer	¹A₁	cis C2V
894	S₂N₂	Disulfur dinitride	¹A_G	D_2h
895	CS₃^--	Carbonotrithioate
896	NO₃^-	nitrate anion	¹A₁^'	D_3h
897	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
898	SO₃	Sulfur trioxide	¹A₁^'	D_3h
899	SO₃^--	Sulfate dianion
900	S₄	Sulfur tetramer
901	S₄	Sulfur tetramer
902	S₄	Sulfur tetramer
903	HNO₃	Nitric acid	¹A^'	C_s
904	NH₂NO₂	nitramide	¹A^'	C_s
905	C₃H₂O	Propadienal
906	C₃H₂O	Propadienal
907	C₂H₂O₂	Ethanedial	¹A_g	C_2h
908	C₂H₃NO	Nitrosoethylene
909	CH₃NCO	methylisocyante
910	HOCH₂CN	cyanomethanol
911	CH₃NO₂	Methane, nitro-	¹A^'	C_s
912	CH₃ONO	Methyl nitrite	¹A^'	C₁
913	NH₂COOH	Carbamic acid	¹A^'	C_s
914	NH₂COOH	Carbamic acid	¹A	C₁
915	H₃AlO₃	Aluminum hydroxide
916	C₃H₄O	Cyclopropanone	¹A₁	C_2v
917	CH₂CHCHO	Acrolein	¹A^'	C_s
918	CH₂CHCHO	Acrolein
919	NH₂CONH₂	Urea	¹A	C₂
920	NH₂CONH₂	Urea	¹A^'	C_s
921	NH₂CONH₂	Urea	¹A₁	C_2v
922	CH₃COOH	Acetic acid	¹A^'	C_s
923	CH₃OCHO	methyl formate	¹A^'	C_s
924	CHOCH₂OH	hydroxy acetaldehyde	¹A^'	CS H in
925	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
926	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
927	CH₃COCH₂	Acetonyl radical	²A^"	C_s
928	CH₂C(OH)NH₂	1-amino vinyl alchohol
929	CH₃C(OH)=NH	Ethaninidic acid
930	CH₃CHNOH	Acetaldoxime	¹A^'	CS trans
931	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
932	CH₃CONH₂	Acetamide	¹A^'	C₁
933	HCONHCH₃	N-methylformamide	¹A^'	CS cis
934	HCONHCH₃	N-methylformamide	¹A^'	CS trans
935	CH₃CSNH₂	Ethanethioamide
936	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
937	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
938	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
939	C₃H₅OH	Cyclopropanol	¹A	C₁
940	C₃H₆O	2-Propen-1-ol	¹A	C₁
941	C₃H₆O	Acetone enol	¹A^'	C_s
942	C₃H₆O	Oxetane	¹A₁	C_2v
943	C₃H₆O	Oxetane	¹A^'	C_s
944	C₃H₆O	Propylene oxide	¹A	C₁
945	CH₃CH₂CHO	Propanal	¹A^'	C_s
946	C₃H₆S	Thietane	¹A^'	C_s
947	C₃H₆S	Thiirane, methyl-	¹A	C₁
948	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
949	C₃H₇OH	1-Propanol	¹A^'	C_s
950	C₃H₇OH	1-Propanol
951	CH₃CHOHCH₃	Isopropyl alcohol	¹A	C₁
952	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
953	Li₂F₂	Lithium fluoride dimer
954	FNO₂	Nitryl fluoride	¹A₁	C_2v
955	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
956	ClNO₂	Nitryl chloride	¹A₁	C_2v
957	ClONO	chlorine nitrite	¹A^'	CS cis
958	N₂F₂	(Z)-Difluorodiazene	¹A₁	C_2v
959	CF₂O	Carbonic difluoride	¹A₁	C_2v
960	CF₂O⁺	Carbonic difluoride cation
961	CCl₂O	Phosgene	¹A₁	C_2v
962	Cl₂CS	Thiophosgene	¹A₁	C_2v
963	BF₃	Borane, trifluoro-	¹A^'	D_3h
964	BF₃⁺	boron trifluoride cation	²B₂	C_2v
965	BF₃⁺	boron trifluoride cation
966	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
967	BClF₂	Chlorodifluoroborane
968	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
969	BCl₃⁺	Boron Trichloride cation
970	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
971	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
972	BBr₃	Boron tribromide	¹A₁^'	D_3h
973	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
974	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
975	CF₂Cl	difluorochloromethyl radical
976	SiF₃	Silicon trifluoride radical	²A₁	C_3v
977	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
978	CFCl₂	dichlorofluoromethyl radical
979	CBr₃	tribromomethyl radical
980	FOOF	Perfluoroperoxide	¹A	C₂
981	ClO₂F	Chloryl fluoride	¹A^'	C_s
982	F₂SO	Thionyl Fluoride	¹A^'	C_s
983	ClOOCl	Dichlorine dioxide	¹A	C₂
984	SOCl₂	thionyl chloride	¹A^'	C_s
985	SSCl₂	Thiothionyl chloride
986	NF₃	Nitrogen trifluoride	¹A₁	C_3v
987	PF₃	Phosphorus trifluoride	¹A₁	C_3v
988	NCl₃	nitrogen trichloride	¹A₁	C_3v
989	AsF₃	Arsenic trifluoride	¹A₁	C_3v
990	PCl₃	Phosphorus trichloride	¹A₁	C_3v
991	AsCl₃	Arsenous trichloride	¹A₁	C_3v
992	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
993	PBr₃	Phosphorus tribromide	¹A₁	C_3v
994	SF₃	Sulfur trifluoride	²A^'	C_s
995	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
996	ClF₃	Chlorine trifluoride	¹A₁	C_2v
997	HClO₃	Chloric Acid	¹A^'	C_s
998	HClO₃	Chloric Acid	¹A	C₁
999	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1000	SiHF₃	trifluorosilane
1001	CHFCl₂	fluorodichloromethane	¹A^'	C_s
1002	CHCl₃	Chloroform	¹A₁	C_3v
1003	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1004	SiHCl₃	Trichlorosilane	¹A₁	C_3v
1005	CHFClBr	fluorochlorobromomethane	¹A	C₁
1006	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1007	CHBr₂F	dibromofluoromethane
1008	CHBr₃	bromoform	¹A₁	C_3v
1009	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1010	AsF₃H⁺	Arsenic trifluoride, protonated
1011	CH₂CF₂	Ethene, 1,1-difluoro-	¹A₁	C_2v
1012	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1013	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1014	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1015	CH₂CCl₂	Ethene, 1,1-dichloro-	¹A₁	C_2v
1016	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	¹A₁	C_2v
1017	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1018	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1019	CH₃COF	Acetyl fluoride	¹A^'	NULL
1020	CH₃COCl	Acetyl Chloride	¹A^'	C_s
1021	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1022	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1023	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1024	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1025	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1026	CH₃CHCl₂	Ethane, 1,1-dichloro-	¹A^'	C_s
1027	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1028	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1029	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1030	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1031	CH₂CHCH₂F	Allyl Fluoride
1032	CH₂CHCH₂F	Allyl Fluoride
1033	CH₃CHCHF	trans-1-Fluoro-1-propene
1034	C₃H₅Cl	1-chloro-1-propene(E)	¹A^'	C_s
1035	C₃H₅Cl	1-chloro-1-propene(Z)	¹A^'	C_s
1036	CH₂FCH₂OH	2-fluoroethanol
1037	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1038	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1039	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1040	CH₂FCH₂CH₃	1-Fluoropropane
1041	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1042	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1043	B₅H₉	pentaborane9
1044	C₅H₄	pentatetraene
1045	C₅H₆	Propellane	¹A₁	D_3h
1046	C₅H₈	Bicyclo[1.1.1]pentane
1047	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1048	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1049	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1050	C₄H₄N	pyrrolide radical	²A₂	C_2v
1051	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1052	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1053	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1054	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1055	C₄H₅N	Pyrrole	¹A₁	C_2v
1056	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1057	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1058	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1059	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1060	B₂O₃	diboron trioxide
1061	B₂O₃	diboron trioxide
1062	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1063	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1064	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1065	HOONO₂	peroxy nitric acid	¹A	C₁
1066	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1067	CHOOCHO	diformyl ether
1068	C₃H₃NO	Isoxazole	¹A^'	C_s
1069	C₃H₃NS	Thiazole
1070	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1071	C₄H₄Se	selenophene
1072	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1073	CH₂CHSCHCH₂	Divinyl sulfide
1074	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1075	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1076	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1077	C₄H₁₀O	1-Butanol	¹A^'	C_s
1078	C₄H₁₀O	1-Propanol, 2-methyl-	¹A	C₁
1079	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1080	C₄H₉SH	1-Butanethiol
1081	BrONO₂	Bromine nitrate	¹A^'	C_s
1082	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1083	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1084	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1085	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1086	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1087	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1088	CBrCl₂F	bromodichlorofluoromethane
1089	CBr₂ClF	dibromochlorofluoromethane
1090	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1091	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1092	GeBr₄	Germanium tetrabromide
1093	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1094	SeF₄	Selenium tetrafluoride
1095	SCl₄	Sulfur tetrachloride
1096	CF₃OH	trifluoromethanol	¹A^'	C_s
1097	CH₂ClCCCl	1,3-dichloropropyne
1098	CHCl₂CCH	3,3-dichloropropyne
1099	CHCl₂CHO	dichloroacetaldehyde
1100	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1101	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1102	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1103	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1104	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1105	CH₂FCH₂CH₂F	1,3-difluoropropane
1106	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1107	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1108	C₂H₂N₂O	Furazan
1109	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1110	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1111	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1112	C₆H₅^-	phenyl anion	¹A₁	C_2v
1113	C₆H₆	Prismane
1114	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1115	C₆H₆	Benzvalene	¹A₁	C_2v
1116	C₆H₆	Dewar Benzene
1117	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1118	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1119	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1120	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1121	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1122	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1123	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1124	C₃H₂O₃	vinylene carbonate
1125	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1126	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1127	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1128	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1129	C₅H₆O	2H-Pyran
1130	C₅H₆O	Pentadienal
1131	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1132	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1133	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1134	C₄F₂	difluorobutadiyne
1135	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1136	C₂ClF₃	Ethene, chlorotrifluoro-
1137	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1138	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1139	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1140	SiF₅^-	silicon pentafluoride anion
1141	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1142	SF₅	Sulfur pentafluoride	²A₁	C_4v
1143	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1144	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1145	C₄H₈O₂	Butanoic acid	¹A	C₁
1146	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1147	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1148	C₇H₁₂	Norbornane	¹A₁	C_2v
1149	CH(CN)₃	tricyanomethane
1150	C₇H₁₀	Norbornene
1151	C₆H₁₂O	Oxepane
1152	F₂CCCF₂	tetrafluoroallene
1153	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1154	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1155	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1156	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1157	S₄N₄	Tetrasulfur tetranitride
1158	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1159	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1160	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1161	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1162	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1163	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1164	C₃F₆	hexafluoropropene
1165	C₁₀H₈	naphthalene	¹A_g	D_2h
1166	C₁₀H₁₀	bullvalene
1167	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1168	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	D₂	Deuterium diatomic	d2
5	HD	Deuterium hydride	hd
6	H₃⁺	hydrogen trimer cation	h3+
7	He^-	Helium atom anion	he-
8	HeH	Helium hydride	heh
9	Li⁺	Lithium atom cation	li+
10	Na^-	Sodium atom anion	na-
11	Na⁺	Sodium atom cation	na+
12	K	Potassium atom	k
13	K^-	Potassium atom anion	k-
14	K⁺	Potassium atom cation	k+
15	Cu	Copper atom	cu
16	Cu^-	Copper atom anion	cu-
17	Cu⁺	Copper atom cation	cu+
18	LiH^-	lithium hydride anion	lih-
19	NaH^-	sodium hydride anion	nah-
20	KH	Potassium hydride	kh
21	KH⁺	Potassium hydrogen cation	kh+
22	Be^-	Beryllium atom anion	be-
23	Mg^-	Magnesium atom anion	mg-
24	Ca	Calcium atom	ca
25	Ca^-	Calcium atom anion	ca-
26	Ca⁺	Calcium atom cation	ca+
27	Zn	Zinc atom	zn
28	Zn^-	Zinc atom anion	zn-
29	Zn⁺	Zinc atom cation	zn+
30	BeH^-	berylium monohydride anion	beh-
31	BeH⁺	beryllium monohydride cation	beh+
32	MgH^-	magnesium monohydride anion	mgh-
33	MgH⁺	magnesium monohydride cation	mgh+
34	CaH	Calcium monohydride	cah
35	CaH⁺	Calcium monohydride cation	cah+
36	ZnH	Zinc monohydride	znh
37	CaH₂	Calcium Hydride	cah2
38	ZnH₂	Zinc hydride	znh2
39	B^-	Boron atom anion	b-
40	BH^-	boron monohydride anion	bh-
41	BH⁺	boron monohydride cation	bh+
42	AlH	aluminum monohydride	alh
43	AlH^-	aluminum monohydride anion	alh-
44	AlH⁺	aluminum monohydride cation	alh+
45	BH₂	boron dihydride	bh2
46	AlH₂	aluminum dihydride	alh2
47	AlH₂^-	aluminum dihydride anion	alh2-
48	AlH₂⁺	aluminum dihydride cation	alh2+
49	BH₃^-	boron trihydride anion	bh3-
50	AlH₃⁺	aluminum trihydride cation	alh3+
51	AlH₄^-	Aluminum tetrahydride anion	alh4-
52	C^-	Carbon atom anion	c-
53	Ti	Titanium atom	ti
54	Ti^-	Titanium atom anion	ti-
55	Ti⁺	Titanium atom cation	ti+
56	Sn	Tin atom	sn
57	Sn⁺	Tin cation	sn+
58	CH^-	methylidyne anion	ch-
59	CH⁺	Methylidyne cation	ch+
60	SiH₂	silicon dihydride	sih2
61	SiH₂^-	silicon dihydride anion	sih2-
62	SiH₂⁺	silicon dihydride cation	sih2+
63	SiH₃^-	Silyl anion	sih3-
64	CH₄⁺	Methane cation	ch4+
65	SiH₄⁺	Silane cation	sih4+
66	SnH₄	Stannane	snh4
67	N^-	Nitrogen atom anion	n-
68	P^-	Phosphorus atom anion	p-
69	P⁺	Phosphorus atom cation	p+
70	Sb	Antimony atom	sb
71	NH	Imidogen	nh
72	NH^-	Imidogen anion	nh-
73	NH⁺	imidogen cation	nh+
74	PH^-	phosphorus monohydride anion	ph-
75	PH⁺	phosphorus monohydride cation	ph+
76	SbH	Antimony monohydride	sbh
77	ND₂	Amidogen-d2	nd2
78	NH₂^-	amino anion	nh2-
79	PH₂	Phosphino radical	ph2
80	PH₂^-	Phosphino anion	ph2-
81	PH₂⁺	Phosphino cation	ph2+
82	AsH₂	Arsenic dihydride	ash2
83	ND₃	Ammonia-d3	nd3
84	SbH₃	Stibine	sbh3
85	O^-	Oxygen atom anion	o-
86	Cr	Chromium atom	cr
87	Te	Tellurium atom	te
88	Te⁺	Tellurium atom cation	te+
89	DO	Hydroxyl-d	od
90	CrH	Chromium hydride	crh
91	TeH	Telluryl radical	teh
92	D₂S	Hydrogen sulfide-d2	d2s
93	H₂Te	Hydrogen Telluride	h2te
94	Mn	Manganese atom	mn
95	I	Iodine atom	iodine
96	I^-	Iodine atom anion	iodine-
97	I⁺	Iodine atom cation	iodine+
98	DF	Hydrofluoric acid-d	df
99	DCl	Hydrochloric acid-d	dcl
100	HI	Hydrogen iodide	hi
101	HI⁺	Hydrogen iodide cation	hi+
102	H₂F⁺	dihydrogen fluoride cation	h2f+
103	H₂I⁺	Iodonium	h2i+
104	Ne^-	Neon atom anion	ne-
105	Ar^-	Argon atom anion	ar-
106	Ar⁺	Argon atom cation	ar+
107	Fe	Iron atom	fe
108	Xe	Xenon atom	xe
109	NeH⁺	neon hydrogen cation	neh+
110	XeH⁺	Xenon, protonated	xeh+
111	Co	Cobalt atom	cobalt
112	Ni	Nickel atom	ni
113	Li₂^-	lithium diatomic anion	li2-
114	Li₂⁺	lithium diatomic cation	li2+
115	NaLi^-	lithium sodium anion	lina-
116	NaLi⁺	lithium sodium cation	lina+
117	LiK	Lithium Potassium	lik
118	NaK	Sodium Potassium	nak
119	NaK⁺	Sodium Potassium diatomic cation	nak+
120	K₂	Potassium diatomic	k2
121	Cu₂	Copper diatomic	cu2
122	LiBe	Lithium Beryllium	libe
123	LiMg	Lithium magnesium	limg
124	NaBe	Sodium Beryllium	nabe
125	NaMg	Sodium Magnesium	namg
126	Be₂^-	Beryllium diatomic anion	be2-
127	Be₂⁺	Beryllium diatomic cation	be2+
128	Mg₂^-	magnesium diatomic anion	mg2-
129	Mg₂⁺	magnesium diatomic cation	mg2+
130	Ca₂	Calcium diatomic	ca2
131	B₂^-	Boron diatomic anion	b2-
132	Al₂	Aluminum diatomic	al2
133	Al₂^-	aluminum diatomic anion	al2-
134	Al₂⁺	aluminum diatomic cation	al2+
135	CaC	Calcium monocarbide	cac
136	BC^-	boron monocarbide anion	bc-
137	BC⁺	boron monocarbide cation	bc+
138	C₂^-	carbon diatomic anion	c2-
139	SiC^-	silicon monocarbide anion	sic-
140	SiC⁺	silicon monocarbide cation	sic+
141	Si₂	Silicon diatomic	si2
142	Si₂^-	silcon diatomic anion	si2-
143	Si₂⁺	silcon diatomic cation	si2+
144	Ge₂	Germanium diatomic	ge2
145	C₂H⁺	Ethynyl cation	c2h+
146	ZnCH₂	Zinc methylene	znch2
147	CCH₂	vinylidene	vinylidene
148	CuCH₃	monomethyl copper	cuch3
149	ZnCH₃	Zinc monomethyl	znch3
150	CH₃CH	methylmethylene	ch3ch
151	CH₂SiH₂	silaethylene	ch2sih2
152	C₂H₅⁺	Ethyl cation	c2h5+
153	C₂H₆⁺	ethane cation	c2h6+
154	CH₃SiH₃	methyl silane	ch3sih3
155	C₂H₇⁺	Ethane, protonated	c2h7+
156	LiN⁺	Lithium Nitride cation	lin+
157	BeN^-	Beryllium mononitride anion	ben-
158	BN^-	boron nitride anion	bn-
159	AlN^-	aluminum mononitride anion	aln-
160	AlN⁺	aluminum mononitride cation	aln+
161	BN⁺	boron nitride cation	bn+
162	AlN	Aluminum nitride	aln
163	CN⁺	Cyano cation	cn+
164	CP	Carbon monophosphide	cp
165	CP^-	carbon monophosphide anion	cp-
166	CP⁺	carbon monophosphide cation	cp+
167	SiN	Silicon nitride	sin
168	SiN^-	silicon mononitride anion	sin-
169	SiN⁺	silicon mononitride cation	sin+
170	SiP^-	Silicon monophosphide anion	sip-
171	SiP⁺	Silicon monophosphide cation	sip+
172	TiN	Titanium mononitride	tin
173	PN^-	phosphorus nitride anion	pn-
174	PN⁺	phosphorus nitride cation	pn+
175	P₂^-	phosphorus diatomic anion	p2-
176	P₂⁺	phosphorus diatomic cation	p2+
177	SbN	Antimony nitride	sbn
178	As₂	Arsenic diatomic	as2
179	HNB	hydrogen nitrogen boron	hnb
180	HCN^-	Hydrogen cyanide anion	hcn-
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	CH₃NH₃⁺	protonated methylamine	ch3nh3+
189	LiO^-	lithium oxide anion	lio-
190	LiO⁺	lithium oxide cation	lio+
191	NaO^-	sodium oxide anion	nao-
192	NaO⁺	sodium oxide cation	nao+
193	KO	Potassium monoxide	ko
194	KO⁺	Potassium monoxide cation	ko+
195	CuO	Copper Monoxide	cuo
196	BeO^-	Beryllium monoxide anion	beo-
197	BeS	beryllium sulfide	bes
198	MgO	magnesium oxide	mgo
199	MgO^-	magnesium oxide anion	mgo-
200	MgO⁺	magnesium oxide cation	mgo+
201	CaO	Calcium monoxide	cao
202	MgS	magnesium sulfide	mgs
203	MgS^-	magnesium sulfide anion	mgs-
204	MgS⁺	magnesium sulfide cation	mgs+
205	CaS	Calcium sulfide	cas
206	ZnS	Zinc sulfide	zns
207	BeS^-	Beryllium monosulfide anion	bes-
208	BeS⁺	Beryllium monosulfide cation	bes+
209	BO^-	boron monoxide anion	bo-
210	AlO	Aluminum monoxide	alo
211	AlO^-	Aluminum monoxide anion	alo-
212	AlO⁺	aluminum monoxide cation	alo+
213	BS	boron sulfide	bs
214	BS^-	boron monosulfide anion	bs-
215	BS⁺	boron monosulfide cation	bs+
216	AlS	Aluminum sulfide	als
217	AlS^-	aluminum monosulfide anion	als-
218	AlS⁺	aluminum monosulfide cation	als+
219	BO⁺	boron monoxide cation	bo+
220	CS^-	carbon monosulfide anion	cs-
221	CS⁺	carbon monosulfide cation	cs+
222	SiO^-	silicon monoxide anion	sio-
223	SiO⁺	silicon monoxide cation	sio+
224	SiS^-	silicon monosulfide anion	sis-
225	SiS⁺	silicon monosulfide cation	sis+
226	CSe^-	Carbon monoselenide anion	cse-
227	CSe⁺	Carbon monoselenide cation	cse+
228	NS⁺	nitrogen sulfide cation	ns+
229	PO^-	phosphorus monoxide anion	po-
230	PO⁺	phosphorus monoxide cation	po+
231	PS^-	phosphorus monosulfide anion	ps-
232	PS⁺	phosphorus monosulfide cation	ps+
233	AsO	Arsenic monoxide	aso
234	SO^-	sulfur monoxide anion	so-
235	S₂^-	sulfur diatomic anion	s2-
236	S₂⁺	sulfur diatomic cation	s2+
237	SeO^-	selenium monoxide anion	seo-
238	SeO⁺	selenium monoxide cation	seo+
239	SeS	Selenium monosulfide	ses
240	SeS^-	selenium monosulfide anion	ses-
241	SeS⁺	selenium monosulfide cation	ses+
242	TeO	Tellurium monoxide	teo
243	Se₂^-	selenium diatomic anion	se2-
244	Se₂⁺	selenium diatomic cation	se2+
245	Te₂	Tellurium diatomic	te2
246	NaOH	sodium hydroxide	naoh
247	KOH	Potassium hydroxide	koh
248	MgOH	magnesium hydroxide	mgoh
249	CaOH	Calcium monohydroxide	caoh
250	HCS	Thioformyl radical	hcs
251	HCS^-	Thioformyl anion	hcs-
252	HCS⁺	Thioformyl cation	hcs+
253	HNO^-	Nitrosyl hydride anion	hno-
254	HNS	Sulfur imide	hns
255	HNS^-	Sulfur imide anion	hns-
256	HO₂^-	Hydroperoxy anion	ho2-
257	CH₃O	Methoxy radical	ch3o
258	CH₃S	thiomethoxy	ch3s
259	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
260	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
261	H₂ONH₃	Water Ammonia Dimer	h2onh3
262	LiCl^-	lithium chloride anion	licl-
263	LiCl⁺	lithium chloride cation	licl+
264	NaF^-	sodium fluoride anion	naf-
265	KF	Potassium Fluoride	kf
266	NaCl^-	sodium chloride anion	nacl-
267	NaCl⁺	sodium chloride cation	nacl+
268	KCl	Potassium Chloride	kcl
269	CuF	Copper monofluoride	cuf
270	LiBr^-	lithium bromide anion	libr-
271	LiBr⁺	lithium bromide cation	libr+
272	CuCl	Copper monochloride	cucl
273	NaBr	Sodium Bromide	nabr
274	NaBr^-	sodium bromide anion	nabr-
275	NaBr⁺	sodium bromide cation	nabr+
276	KBr	Potassium Bromide	kbr
277	LiI	Lithium Iodide	lii
278	NaI	Sodium Iodide	nai
279	KI	Potassium Iodide	ki
280	LiF^-	lithium fluoride anion	lif-
281	BeF	Beryllium monofluoride	bef
282	BeF⁺	Beryllium monofluoride cation	bef+
283	BeCl	beryllium monochloride	becl
284	MgF	Magnesium monofluoride	mgf
285	MgF^-	magnesium fluoride anion	mgf-
286	CaF	Calcium monofluoride	caf
287	MgCl	magnesium monochloride	mgcl
288	MgCl^-	magnesium monochloride anion	mgcl-
289	MgCl⁺	magnesium monochloride cation	mgcl+
290	CaCl	calcium monochloride	cacl
291	ZnF^-	Zinc monofluoride anion	znf-
292	ZnF⁺	Zinc monofluoride cation	znf+
293	ZnCl	Zinc monochloride	zncl
294	CaBr	Calcium monobromide	cabr
295	BeCl^-	beryllium monochloride anion	becl-
296	BeCl⁺	beryllium monochloride cation	becl+
297	BF^-	Boron monofluoride anion	bf-
298	BF⁺	Boron monofluoride cation	bf+
299	AlF^-	Aluminum monofluoride anion	alf-
300	AlF⁺	Aluminum monofluoride cation	alf+
301	BCl	boron monochloride	bcl
302	BCl^-	boron monochloride anion	bcl-
303	BCl⁺	boron monochloride cation	bcl+
304	AlCl^-	aluminum monochloride anion	alcl-
305	AlCl⁺	aluminum monochloride cation	alcl+
306	AlI	Aluminum monoiodide	ali
307	CF^-	carbon monofluoride anion	cf-
308	CF⁺	carbon monofluoride cation	cf+
309	CCl	carbon monochloride	ccl
310	CCl^-	carbon monochloride anion	ccl-
311	CCl⁺	carbon monochloride cation	ccl+
312	SiCl^-	silicon monochloride anion	sicl-
313	SiCl⁺	silicon monochloride cation	sicl+
314	NF	nitrogen fluoride	nf
315	NF^-	nitrogen monofluorine anion	nf-
316	NF⁺	nitrogen monofluoirde cation	nf+
317	NCl^-	nitrogen monochloride anion	ncl-
318	NCl⁺	nitrogen monochloride cation	ncl+
319	PF	phosphorus monofluoride	pf
320	PF^-	phosphorus monofluoride anion	pf-
321	PF⁺	phosphorus monofluoride cation	pf+
322	PCl	phosphorus chloride	pcl
323	PCl^-	phosphorus monochloride anion	pcl-
324	PCl⁺	phosphorus monochloride cation	pcl+
325	SbF	Antimony monofluoride	sbf
326	SbCl	Antimony monochloride	sbcl
327	FO^-	flourine oxide anion	fo-
328	FO⁺	fluorine monoxide cation	fo+
329	ClO^-	chlorine monoxide anion	clo-
330	SF^-	sulfur monofluoride anion	sf-
331	SCl^-	sulfur monochloride anion	scl-
332	IO	Iodine monoxide	io
333	ClF^-	clorine monofluoride anion	clf-
334	BrF^-	bromine fluoride anion	brf-
335	BrF⁺	bromine fluoride cation	brf+
336	BrCl^-	bromine chloride anion	brcl-
337	BrCl⁺	bromine chloride cation	brcl+
338	IF	Iodine monofluoride	if
339	ICl	Iodine monochloride	icl
340	IBr	Iodine monobromide	ibr
341	I₂	Iodine diatomic	i2
342	I₂⁺	Iodine diatomic cation	i2+
343	CHBr	bromomethylene	chbr
344	DOCl	Hypochlorous acid-d	docl
345	HOI	Hypoiodous acid	hoi
346	FHF	Hydrogen difluoride	fhf
347	FHF^-	Hydrogen difluoride anion	fhf-
348	NH₂F	monofluoroamine	nh2f
349	H₂F₂	Hydrogen fluoride dimer	h2f2
350	CH₃I	methyl iodide	ch3i
351	SiH₃I	Silyl Iodide	sih3i
352	Ne₂	Neon diatomic	ne2
353	C₃⁺	carbon trimer cation	c3+
354	C₃H₃	Propargyl radical	propargyl
355	C₃H₃^-	Propargyl anion	c3h3-
356	C₃H₃⁺	cyclopropenyl cation	cpr+
357	C₃H₃⁺	Propargyl cation	c3h3+
358	C₃H₅⁺	Allyl cation	allyl+
359	Zn(CH₃)₂	dimethyl zinc	dmz
360	KCN	Potassium cyanide	kcn
361	CuCN	Copper cyanide	cucn
362	N₃^-	azide anion	n3-
363	HCNN	diazomethyl radical	hcnn
364	CH₂N₂	diazirine	ch2n2
365	CH₂NN	diazomethane	ch2nn
366	CH₃CN⁺	Acetonitrile cation	ch3cn+
367	NHCHNH₂	aminomethanimine	cn2h4
368	C₂H₅N	Aziridine	c2h5n
369	CH₂CHNH₂	aminoethene	aminoethene
370	CH₂NCH₃	N-methylmethanimine	nmm
371	NH₂BHNH₂	diaminoborane	nh2bhnh2
372	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
373	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
374	Li₂O⁺	dilithium oxide cation	li2o+
375	CNO^-	fulminate	cno-
376	NCO^-	cyanate	nco-
377	SCN	thiocyanato radical	scn
378	SCN^-	thiocyanide anion	scn-
379	BO₂	Boron dioxide	bo2
380	BO₂^-	Boron dioxide anion	bo2-
381	BO₂⁺	Boron dioxide cation	bo2+
382	N₂O⁺	Nitrous oxide cation	n2o+
383	CO₂^-	Carbon dioxide anion	co2-
384	OCS⁺	Carbonyl sulfide cation	cos+
385	SiO₂	silicon dioxide	sio2
386	CS₂⁺	Carbon disulfide cation	cs2+
387	SCTe	Carbon sulfide Telluride	scte
388	NO₂^-	Nitrogen dioxide anion	no2-
389	PO₂	Phosphorus dioxide	po2
390	PO₂^-	Phosphorus dioxide anion	po2-
391	PO₂⁺	Phosphorus dioxide cation	po2+
392	O₃^-	Ozone anion	o3-
393	O₃⁺	Ozone cation	o3+
394	SO₂^-	Sulfur dioxide anion	so2-
395	SO₂⁺	Sulfur dioxide cation	so2+
396	S₃^-	Sulfur trimer anion	s3-
397	TeO₂	Tellurium Dioxide	teo2
398	CS₂H⁺	Carbon disulfide, protonated	cs2h+
399	HNCO	Isocyanic acid	hnco
400	HOCN	cyanic acid	hocn
401	HCO₂^-	formate anion	hco2-
402	HNNO	nitrosoazane	hnno
403	HOCO⁺	Hydrocarboxyl cation	hoco+
404	HNO₂	Nitrous acid	hno2
405	HNO₂⁺	nitrous acid cation	hno2+
406	CH₂CO⁺	Ketene cation	ch2co+
407	HCCOH	ethynol	hccoh
408	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
409	CH₂CHO	Vinyloxy radical	ch2cho
410	CH₃CO	Acetyl radical	ch3co
411	CH₃CO^-	Acetyl anion	ch3co-
412	CH₃CO⁺	acetyl cation	ch3co+
413	CH₂OOH	CH2OOH radical	ch2ooh
414	CH₃OO	methylperoxy radical	ch3oo
415	CH₃OO^-	methylperoxy anion	ch3oo-
416	CH₃OO⁺	methylperoxy cation	ch3oo+
417	CH₂CHOH	ethenol	ch2choh
418	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
419	CH₃OOH	Methyl peroxide	ch3ooh
420	H₂OH₂CO	water formaldehyde dimer	h2oh2co
421	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
422	CH₃CH₂O	Ethoxy radical	ethoxy
423	CH₃OCH₂	methoxymethyl radical	ch3och2
424	CH₃OHH₂O	methanol water dimer	ch3ohh2o
425	H₂OCH₃OH	water methanol dimer	h2och3oh
426	ZnF₂	Zinc difluoride	znf2
427	ICN	Cyanogen iodide	icn
428	MgCl₂	Magnesium dichloride	mgcl2
429	CaCl₂	Calcium Chloride	cacl2
430	ZnCl₂	Zinc dichloride	zncl2
431	CaBr₂	Calcium dibromide	cabr2
432	CaF₂	Calcium difluoride	caf2
433	BrNO	Nitrosyl bromide	brno
434	INO	Nitrosyl iodide	ino
435	CF₂^-	Difluoromethylene anion	cf2-
436	CF₂⁺	Difluoromethylene cation	cf2+
437	CCl₂	dichloromethylene	ccl2
438	CCl₂^-	dichloromethylene anion	ccl2-
439	CCl₂⁺	dichloromethylene cation	ccl2+
440	SiCl₂	Dichlorosilylene	sicl2
441	FOO	Dioxygen monofluoride radical	foo
442	ClOO	chloroperoxy radical	cloo
443	ClOO⁺	chloroperoxy cation	cloo+
444	OClO⁺	Chlorine dioxide cation	oclo+
445	ClS₂	Sulfur chloride	cls2
446	OBrO	Bromine dioxide radical	obro
447	NF₂	Difluoroamino radical	nf2
448	NF₂⁺	Difluoroamino cation	nf2+
449	SF₂⁺	sulfur difluoride cation	sf2+
450	Cl₂O	Dichlorine monoxide	cl2o
451	BrOCl	Bromine hypochlorite	brocl
452	BrOBr	Bromine oxide	brobr
453	I₃^-	triiodide	i3-
454	HCCF⁺	fluoroacetylene cation	hccf+
455	COHCl	Formyl chloride	cohcl
456	COHBr	Formyl bromide	cohbr
457	BHF₂	Difluoroborane	bhf2
458	BHCl₂	Borane, dichloro-	bhcl2
459	HOClO	Chlorous acid	hoclo
460	CH₂FI	fluoroiodomethane	ch2fi
461	CH₂ClI	chloroiodomethane	ch2cli
462	CH₂BrI	bromoiodomethane	ch2bri
463	CH₂I₂	Diiodomethane	ch2i2
464	CH₂CHF⁺	fluoroethene cation	ch2chf+
465	C₂H₃I	Vinyl iodide	c2h3i
466	CH₃OCl	methyl hypochlorite	ch3ocl
467	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
468	C₂H₅I	Ethyl iodide	c2h5i
469	XeF₂	Xenon difluoride	xef2
470	C₄⁺	Carbon tetramer cation	c4+
471	H₂CCCCH₂	Butatriene	h2cccch2
472	CH₂CHCHCH₂	1,3-Butadiene	c106990
473	CH₃CCCH₃	2-Butyne	c503173
474	CH₃CHCHCH₂	methylallyl radical	c4h7
475	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
476	B(CH₃)₃	trimethylborane	bme3
477	Al(CH₃)₃	trimethyl aluminum	tma
478	C(CH₃)₃	Tert-butyl radical	tbutyl
479	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
480	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
481	SiH(CH₃)₃	trimethylsilane	trimsi
482	C₂N₂⁺	Cyanogen cation	c2n2+
483	P₄	Phosphorus tetramer	p4
484	CH₅N₃	Guanidine	guanidine
485	CH₆N₃⁺	guanidinium	ch6n3+
486	C₃H₇N	Azetidine	azet
487	C₂H₈N₂	Ethylenediamine	ethdiam
488	CH₃NHNHCH₃	dimethyl hydrazine	dmh
489	As(CH₃)₃	trimethyl arsine	tmas
490	Li₂O₂	dilithium dioxide	li2o2
491	K₂O₂	dipotassium dioxide	k2o2
492	B₂O₂	Diboron dioxide	b2o2
493	CO₃	Carbon trioxide	co3
494	CO₃^--	carbonate	co3--
495	NO₃	Nitrogen trioxide	no3
496	SO₃^-	Sulfur trioxide anion	so3-
497	SO₃⁺	Sulfur trioxide cation	so3+
498	SeO₃	selenium trioxide	seo3
499	TeO₃	Tellurium trioxide	teo3
500	HCO₃^-	bicarbonate anion	hco3-
501	HSO₃	Hydroxysulfonyl radical	hso3
502	C₂H₂CO	cyclopropenone	c2h2co
503	HCCCHO	2-propynal	hcccho
504	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
505	H₂CO₃	Carbonic acid	h2co3
506	H₂CS₃	thiocarbonic acid	h2cs3
507	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
508	H₂SO₃	Sulfurous acid	h2so3
509	CH₃COO^-	acetate anion	ch3coo-
510	H₃BO₃	Boric acid	h3bo3
511	H₃CO₃⁺	carbonic acid, protonated	h3co3+
512	C₃H₄O	2-Propyn-1-ol	c107197
513	C₃H₄O	allenol	c9000071
514	C₃H₄O	Methylketene	c6004440
515	NH₂CONH₂⁺	Urea cation	urea+
516	NH₂CSNH₂	Thiourea	thiourea
517	C₂H₄O₂	1,3-dioxetane	c2h4o2
518	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
519	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
520	HCOOHH₂O	Formic acid water dimer	hcoohh2o
521	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
522	C₂H₅OO	ethylperoxy radical	c2h5oo
523	CH₃COCH₃	Acetone	acetone
524	CH₃COCH₃^-	acetone anion	ch3coch3-
525	CH₃CSCH₃	Thioacetone	ch3csch3
526	C₂H₆O₂	1,2-Ethanediol	ethdiol
527	CH₃OOCH₃	dimethylperoxide	dmp
528	CH₃SOCH₃	Dimethyl sulfoxide	dmso
529	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
530	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
531	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
532	C₃H₇SH	1-Propanethiol	prsh
533	CH₃CHSHCH₃	2-Propanethiol	isoprsh
534	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
535	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
536	Na₂F₂	Sodium Fluoride Dimer	na2f2
537	Na₂Cl₂	Disodium dichloride	na2cl2
538	C₂F₂	difluoroacetylene	c2f2
539	C₂Cl₂	dichloroacetylene	c2cl2
540	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
541	BrONO	Bromine nitrite	brono
542	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
543	COFCl	Carbonic chloride fluoride	cofcl
544	COBr₂	Carbonic dibromide	cobr2
545	BF₃^-	Borane, trifluoro- anion	bf3-
546	AlF₂Cl	Aluminum chloride difluoride	alclf2
547	ScF₃	Scandium trifluoride	ScF3
548	AlFCl₂	Aluminum dichloride fluoride	alcl2f
549	AlCl₃	Aluminum trichloride	alcl3
550	AlBr₃	Aluminum Bromide	albr3
551	ClO₃	Chlorine trioxide	clo3
552	ClO₃^-	chlorate anion	clo3-
553	BrO₃^-	Bromate anion	bro3-
554	CF₃	Trifluoromethyl radical	cf3
555	CCl₃	Trichloromethyl radical	ccl3
556	CCl₃^-	Trichloromethyl anion	ccl3-
557	CCl₃⁺	Trichloromethyl cation	ccl3+
558	SiCl₃	trichlorosilyl radical	sicl3
559	SiCl₃⁺	trichlorosilyl cation	sicl3+
560	FSSF	Difluorodisulfane	fssf
561	S₂F₂	Thio-thionyl fluoride	s2f2
562	SeOCl₂	selenium oxychloride	seocl2
563	NF₃^-	Nitrogen trifluoride anion	nf3-
564	NF₃⁺	Nitrogen trifluoride cation	nf3+
565	SbF₃	Antimony Trifluoride	sbf3
566	SbCl₃	Antimony Trichloride	sbcl3
567	AsBr₃	Arsenic tribromide	asbr3
568	NI₃	Nitrogen triiodide	ni3
569	PI₃	Phosphorus triiodide	pi3
570	ClSSCl	Disulfur dichloride	s2cl2
571	BrF₃	Bromine trifluoride	brf3
572	IF₃	iodone trifluoride	if3
573	CHF₂Cl	difluorochloromethane	chf2cl
574	CDCl₃	trichloromethane-d	cdcl3
575	CHF₂I	difluoroiodomethane	chf2i
576	CHFClI	fluorochloroiodomethane	chfcli
577	CHCl₂I	dichloroiodomethane	chcl2i
578	CHClBr₂	Methane, dibromochloro-	chclbr2
579	CHI₃	Iodoform	chi3
580	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
581	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
582	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
583	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
584	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
585	CH₂ClCHO	chloroacetaldehyde	ch2clcho
586	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
587	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
588	CH₂CFCH₃	2-fluoropropene	2fpro
589	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
590	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
591	CH₃CH₂CH₂Br	n-propyl bromide	prbr
592	CH₃CHBrCH₃	i-propyl bromide	iprbr
593	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
594	C₅H₅	cyclopentadienyl radical	c5h5
595	C₅H₅^-	cylopentadienyl anion	c5h5-
596	C₅H₆	1,3-Cyclopentadiene	c542927
597	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
598	C₅H₆	3-Penten-1-yne, (E)-	c2004695
599	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
600	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
601	C₅H₆	Cyclopropylacetylene	c6746947
602	C₅H₇	1,3-pentadienyl radical	pdyl
603	C₅H₇	cyclopentenyl radical	cpyl
604	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
605	C₅H₈	1,2-Pentadiene	c591957
606	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
607	C₅H₈	1,3-Pentadiene, (E)-	c2004708
608	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
609	C₅H₈	1,4-Pentadiene	c591935
610	C₅H₈	1-pentyne	a1pentyne
611	C₅H₈	2,3-Pentadiene	c591968
612	C₅H₈	Cyclobutane, methylene-	c1120565
613	C₅H₈	Cyclopentene	c142290
614	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
615	C₅H₁₀	1-Butene, 2-methyl-	c563462
616	C₅H₁₀	2-Butene, 2-methyl-	c513359
617	C₅H₁₀	2-Pentene, (E)-	c646048
618	C₅H₁₀	2-Pentene, (Z)-	c627203
619	C₅H₁₀	Cyclopentane	c287923
620	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
621	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
622	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
623	C₅H₁₂	Butane, 2-methyl-	buta2
624	C₅H₁₂	Pentane	pentane
625	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
626	Si(CH₃)₄	tetramethylsilane	tms
627	N₂O₃	Dinitrogen trioxide	n2o3
628	C₃H₂N₂	Malononitrile	c3h2n2
629	CH₂N₄	1H-Tetrazole	1htz
630	C₂H₃N₃	1H-1,2,4-Triazole	c288880
631	C₃H₄N₂	1H-Pyrazole	1hpyraz
632	C₄H₅N	(E)-2-Butenenitrile	c627269
633	C₄H₅N	(Z)-2-Butenenitrile	c1190767
634	C₄H₅N	2H-pyrrole	pyrrole2
635	C₄H₅N	3H-pyrrole	pyrrole3
636	C₄H₅N	Cyclopropanecarbonitrile	c5500210
637	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
638	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
639	C₃H₆N₂	3-Aminopropionitrile	c151188
640	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
641	CH₃CH₂CH₂CN	Butanenitrile	c109740
642	C₅H₈	Bicyclo[2.1.0]pentane	c185944
643	C₅H₈	Spiropentane	c157404
644	C₄H₉N	Cyclobutylamine	cbam
645	C₄H₉N	Pyrrolidine	pyrrolidine
646	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
647	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
648	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
649	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
650	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
651	NH(C₂H₅)₂	diethylamine	dea
652	C₃O₂⁺	Carbon suboxide cation	c3o2+
653	CaCO₃	Calcium Carbonate	caco3
654	PO₄^---	phosphate	po4---
655	SO₄^--	sulfate	so4--
656	HSO₄^-	bisulfate anion	hso4-
657	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
658	CHOCOOH	oxo acetic acid	oaa
659	H₂SO₄	Sulfuric acid	h2so4
660	H₂SeO₄	Selenic acid	h2seo4
661	C₃H₃NO	Oxazole	oxazole
662	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
663	CH₃NO₃	Methyl nitrate	ch3no3
664	H₃PO₄	Phosphoric Acid	h3po4
665	C₄H₄O	Furan	furan
666	C₄H₄O⁺	Furan cation	furan+
667	C₄H₄S	Thiophene	furans
668	C₃H₄O₂	β–Propiolactone	beta
669	C₃H₄O₂	2-Propenoic acid	propenoic2
670	C₃H₄O₂	Methyl glyoxal	megly
671	C₃H₄O₂	propanedial	propanedial
672	C₃H₄O₂	propenalol	propenalol
673	HOCHCCHOH	allenediol	aldiol
674	C₂H₄O₃	trioxolane124	triox
675	HOCH₂COOH	Hydroxyacetic acid	hac
676	CH₂CHCONH₂	Acrylamide	c79061
677	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
678	CH₅N₃S	Hydrazinecarbothioamide	c79196
679	H₂NCH₂COOH	Glycine	glycine
680	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
681	C₄H₆O	cis-2-butenal	butenal2c
682	C₄H₆O	Cyclobutanone	cbutone
683	C₄H₆O	Furan, 2,3-dihydro-	furan23h
684	C₄H₆O	Furan, 2,5-dihydro-	furan25h
685	CH₂CHOCHCH₂	Vinyl ether	vinylether
686	CHOCHCHCH₃	2-Butenal	butenal2
687	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
688	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
689	C₂H₆N₂O	Urea, methyl-	c598505
690	C₃H₆O₂	1,3-Dioxolane	dioxolane
691	CH₃CH₂COOH	Propanoic Acid	propanoic
692	CH₃COOCH₃	methyl acetate	aame
693	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
694	C₃H₇NO	dimethylformamide	dmf
695	C₃H₇NO	Propanamide	propanam
696	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
697	C₄H₈O	Cyclobutanol	c2919235
698	C₄H₈O	Furan, tetrahydro-	thf
699	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
700	CH₃COCH₂CH₃	2-Butanone	buta2one
701	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
702	CHOCH₂CH₂CH₃	Butanal	butanal
703	C₃H₈O₂	1,3-Propanediol	c504632
704	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
705	C₃H₈O₂	Methane, dimethoxy-	c109875
706	C₃H₈O₂	Propylene glycol	c57556
707	C₃H₈S₂	1,3-Propanedithiol	c109808
708	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
709	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
710	C₄H₁₀O	Ethoxy ethane	etoet
711	C₄H₁₀O	Methyl propyl ether	meopr
712	C₄H₁₀O	Propane, 2-methoxy-	c598538
713	C₄H₁₀O⁺	1-Butanol cation	butanol1+
714	C₂H₅SC₂H₅	Diethyl sulfide	etset
715	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
716	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
717	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
718	FNO₃	Fluorine nitrate	fno3
719	ClONO₂	Chlorine nitrate	clono2
720	TiCl₄	Titanium tetrachloride	ticl4
721	ClO₄^-	perchlorate anion	clo4-
722	BF₄^-	tetrafluoroboron anion	bf4-
723	ClFO₃	Perchloryl fluoride	clfo3
724	SO₂Cl₂	Sulfuryl chloride	so2cl2
725	F₃NO	Nitrogen trifluoride oxide	f3no
726	F₃PO	Phosphoryl fluoride	pf3o
727	Cl₃PO	Phosphoryl chloride	pcl3o
728	CF₄	Carbon tetrafluoride	cf4
729	SiF₄	Silicon tetrafluoride	sif4
730	CFCl₃	Trichloromonofluoromethane	cfcl3
731	CCl₄	Carbon tetrachloride	ccl4
732	CCl₄⁺	Carbon tetrachloride cation	ccl4+
733	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
734	SiCl₄	Silane, tetrachloro-	sicl4
735	CF₃I	trifluoroiodomethane	cf3i
736	CBrCl₃	Methane, bromotrichloro-	cbrcl3
737	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
738	GeCl₄	Germanium Tetrachloride	gecl4
739	CCl₃I	trichloroiodomethane	ccl3i
740	CFBr₃	fluorotribromomethane	cfbr3
741	CFClBrI	fluorochlorobromoiodomethane	cfclbri
742	CF₂I₂	difluorodiiodomethane	cf2i2
743	CBr₄	Carbon tetrabromide	cbr4
744	CCl₂I₂	dichlorodiiodomethane	ccl2i2
745	SiBr₄	Silicon tetrabromide	sibr4
746	CBr₃I	tribromoiododmethane	cbr3i
747	CI₄	tetraiodomethane	ci4
748	SiI₄	silicon tetraiodide	sii4
749	ClOF₃	Chlorine trifluoride oxide	clof3
750	C₂HF₃	Trifluoroethylene	c2hf3
751	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
752	CHClCCl₂	Trichloroethylene	chclccl2
753	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
754	HClO₄	perchloric acid	hclo4
755	HSO₃F	Fluorosulfonic acid	hso3f
756	CHClCCHCl	1,3-dichloroallene	chclcchcl
757	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
758	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
759	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
760	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
761	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
762	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
763	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
764	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
765	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
766	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
767	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
768	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
769	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
770	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
771	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
772	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
773	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
774	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
775	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
776	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
777	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
778	C₄H₉F	1-fluorobutane	butaf1
779	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
780	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
781	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
782	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
783	XeF₄	Xenon tetrafluoride	xef4
784	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
785	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
786	C₆H₄	Benzyne	benzyne
787	C₆H₅	phenyl	phenyl
788	C₆H₆	2,4-Hexadiyne	hexadiyne
789	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
790	C₆H₆	Benzene	benzene
791	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
792	C₆H₆⁺	Benzene cation	c6h6+
793	C₆H₇⁺	benzene, protonated	c6h7+
794	C₆H₈	(E)-hexa-1,3,5-triene	c821078
795	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
796	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
797	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
798	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
799	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
800	C₆H₈	3-Methylenecyclopentene	c930267
801	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
802	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
803	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
804	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
805	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
806	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
807	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
808	C₆H₁₀	1,5-Hexadiene	c592427
809	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
810	C₆H₁₀	1-Hexyne	hexyne1
811	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
812	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
813	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
814	C₆H₁₀	2-Hexyne	c764352
815	C₆H₁₀	3-Hexyne	hexyne3
816	C₆H₁₀	cyclohexene	cyclohexene
817	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
818	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
819	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
820	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
821	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
822	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
823	C₆H₁₂	(E)-2-Hexene	e2hexene
824	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
825	C₆H₁₂	(E)-hex-3-ene	e3hexene
826	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
827	C₆H₁₂	(Z)-hex-2-ene	z2hexene
828	C₆H₁₂	(Z)-hex-3-ene	z3hexene
829	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
830	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
831	C₆H₁₂	3-methylenepentane	c760214
832	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
833	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
834	C₆H₁₂	Cyclohexane	cyclohexane
835	C₆H₁₂	Cyclopentane, methyl-	c96377
836	C₆H₁₂	Ethylcyclobutane	c4806615
837	C₆H₁₂	hex-1-ene	hexene1
838	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
839	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
840	C₆H₁₄	Hexane	hexane
841	C₆H₁₄	Pentane, 2-methyl-	penta2
842	C₆H₁₄	Pentane, 3-methyl-	penta3
843	C₄N₂	2-Butynedinitrile	c4n2
844	C₂H₂N₄	sym-tetrazine	ttz
845	C₃H₃N₃	1,3,5-Triazine	triazine135
846	CH₃N₅	5-Aminotetrazole	c4418615
847	C₄H₄N₂	1,3-Diazine	diazine13
848	C₄H₄N₂	Pyrazine	pyrazine
849	C₄H₄N₂	Pyridazine	pyridazine
850	C₄H₄N₂	Succinonitrile	c110612
851	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
852	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
853	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
854	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
855	C₅H₅N	E-2,4-pentadienenitrile	bdcn
856	C₅H₅N	Pyridine	pyridine
857	B₃N₃H₆	borazine	borazine
858	C₆H₆	Fulvene	fulvene
859	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
860	C₅H₇N	(E)-2-Pentenenitrile	c26294984
861	C₅H₇N	(E)-3-Pentenenitrile	c16529661
862	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
863	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
864	C₅H₇N	Cyclobutanecarbonitrile	c4426113
865	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
866	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
867	C₅H₉N	Pentanenitrile	c110598
868	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
869	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
870	C₅H₁₁N	Cyclopentanamine	cypentam
871	C₅H₁₁N	Piperidine	piper
872	C₄H₁₂N₂	1,2-Butanediamine	c4426486
873	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
874	Li₂CO₃	Lithium Carbonate	li2co3
875	C₂O₄^--	oxalate anion	c2o4
876	C₂H₃NO₃	Oxamic acid	oxamic
877	C₄H₄O₂	2(5H)-Furanone	furanone
878	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
879	C₂H₄N₂O₂	Oxalamide	oxalamide
880	C₂H₄N₂S₂	Ethanedithioamide	c79403
881	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
882	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
883	C₄H₅NO	3-Methylisoxazole	isox3m
884	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
885	C₄H₅NS	4-Methylthiazole	c693958
886	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
887	C₅H₆O	2-methylfuran	furan2m
888	C₅H₆O	3-Methylfuran	furan3m
889	C₅H₆S	Thiophene, 2-methyl-	c554143
890	C₅H₆S	Thiophene, 3-methyl-	c616444
891	C₄H₆O₂	2,3-Butanedione	c431038
892	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
893	C₄H₆O₂	Crotonic Acid	crot
894	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
895	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
896	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
897	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
898	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
899	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
900	C₄H₆OS	Vinyl sulfoxide	c1115157
901	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
902	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
903	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
904	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
905	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
906	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
907	C₄H₇NO	2-Pyrrolidinone	c616455
908	C₄H₇NO	Ethoxyacetonitrile	etoaccn
909	C₄H₇NO	Methacrylamide	c79390
910	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
911	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
912	C₃H₇ONO	Propyl nitrite	prono
913	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
914	CH₃CH(NH₂)COOH	Alanine	alanine
915	CH₃NHCH₂COOH	Sarcosine	sarcosine
916	NH₂CH₂CH₂COOH	β–alanine	betaalanine
917	NH₂COOC₂H₅	Urethane	urethane
918	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
919	C₅H₈O	Cyclopentanone	c120923
920	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
921	C₅H₈O	Methyl cyclopropyl ketone	c765435
922	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
923	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
924	NH₂CONHC₂H₅	Urea, ethyl-	c625525
925	C₄H₈O₂	1,3-Dioxane	dioxan13
926	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
927	C₄H₈O₂	1,4-Dioxane	dioxan14
928	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
929	C₄H₈O₂	Ethyl acetate	c141786
930	C₄H₈OS	s-Ethyl thioacetate	c625605
931	C₃H₈O₃	1,2,3-Propanetriol	glycerin
932	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
933	C₄H₉NO	Butanamide	c541355
934	C₄H₉NO	Propanamide, 2-methyl-	c563837
935	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
936	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
937	C₅H₁₀O	2-Pentanone	mpk
938	C₅H₁₀O	3-Pentanone	dek
939	C₅H₁₀O	Cyclopentanol	c96413
940	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
941	C₅H₁₀O	Pentanal	pal
942	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
943	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
944	C₅H₁₀S	Cyclopentanethiol	c1679078
945	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
946	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
947	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
948	C₄H₁₀O₂	1,3-Butanediol	budiol13
949	C₄H₁₀O₂	1,4-Butanediol	budiol14
950	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
951	C₄H₁₀OS	Diethyl sulfoxide	c70291
952	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
953	C₄H₁₁NO	Diethylhydroxylamine	c3710847
954	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
955	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
956	C₅H₁₂O	1-Pentanol	pentanol1
957	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
958	C₅H₁₂O	2-Pentanol	peol2
959	C₅H₁₂O	3-Pentanol	pentan3ol
960	C₅H₁₂O	Butane, 1-methoxy-	meobu
961	C₅H₁₂O	Propane, 1-ethoxy-	proet
962	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
963	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
964	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
965	C₅H₁₂S	1-Pentanethiol	c110667
966	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
967	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
968	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
969	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
970	C₅H₁₂S	Ethyl propyl sulfide	c4110503
971	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
972	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
973	ClCOClCO	Oxalyl chloride	oxcl
974	CF₃CN	Acetonitrile, trifluoro-	cf3cn
975	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
976	B₂F₄	Diboron tetrafluoride	b2f4
977	C₂F₄	Tetrafluoroethylene	c2f4
978	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
979	C₂FCl₃	fluorotrichloroethene	c2fcl3
980	C₂Cl₄	Tetrachloroethylene	c2cl4
981	C₂Br₄	tetrabromoethene	c2br4
982	CF₃OF	Trifluoromethylhypofluorite	cf3of
983	SOF₄	Sulfur tetrafluoride oxide	sof4
984	AsF₅	Arsenic pentafluoride	asf5
985	PCl₅	Phosphorus pentachloride	pcl5
986	SF₅⁺	pentafluoro sulfur cation	sf5+
987	SbCl₅	Antimony pentachloride	sbcl5
988	BrF₅	bromine pentafluoride	brf5
989	ClF₅	chlorinepentafluoride	clf5
990	IF₅	pentafluoroiodine	if5
991	CF₃CHO	trifluoroacetaldehyde	cf3cho
992	CCl₃CHO	trichloroacetaldehyde	ccl3cho
993	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
994	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
995	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
996	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
997	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
998	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
999	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1000	CF₃COOH	trifluoroacetic acid	cf3cooh
1001	C₄H₃ClO	Furan, 2-chloro	fur2cl
1002	C₄H₃ClO	Furan,3-chloro	fur3cl
1003	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1004	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1005	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1006	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1007	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1008	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1009	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1010	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1011	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1012	C₆H₅CH₂	benzyl radical	benzyl
1013	C₆H₅CH₃	toluene	toluene
1014	C₇H₈	cycloheptatriene	cht
1015	C₇H₈	Norbornadiene	norbor
1016	C₇H₈	Quadricyclane	qucy
1017	C₇H₁₄	cycloheptane	c7h14
1018	C₇H₁₆	2-methylhexane	2mhex
1019	C₇H₁₆	3-methylhexane	hex3m
1020	C₇H₁₆	heptane	heptane
1021	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1022	C₆H₇N	2-Methylpyridine	mp
1023	C₆H₅NH₂	aniline	aniline
1024	C₆H₁₃N	2-Methylpiperidine	pip2m
1025	C₆H₁₃N	cyclohexanamine	cham
1026	C₆H₁₅N	triethylamine	tea
1027	N₂O₅	Dinitrogen pentoxide	n2o5
1028	C₄H₂O₃	Maleic Anhydride	malan
1029	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1030	C₅H₄O₂	furfural	furfural
1031	C₆H₅O	phenoxy radical	phenoxy
1032	C₅H₅NO	2(1H)-Pyridinone	c72762006
1033	C₅H₅NO	2(3H)-Pyridinone	c9000048
1034	C₅H₅NO	2(5H)-Pyridinone	c9000037
1035	C₅H₅NO	2-Pyridinol	c109104
1036	C₅H₅NO	3(2H)-Pyridinone	c9000004
1037	C₅H₅NO	3(4H)-Pyridinone	c9000026
1038	C₅H₅NO	3(6H)-Pyridinone	c9000015
1039	C₅H₅NO	3-Pyridinol	c109002
1040	C₅H₅NO	4(1H)-Pryidinone	c9000060
1041	C₅H₅NO	4(3H)-Pryidinone	c9000059
1042	C₅H₅NO	4-Pyridinol	c626642
1043	C₆H₅OH	phenol	phenol
1044	C₆H₆O	2,4-Cyclohexadienone	c24599573
1045	C₆H₆O	2,5-Cyclohexadienone	c5664335
1046	C₆H₅SH	Benzenethiol	phsh
1047	HO₂CCHNH₂CH₂OH	Serine	serine
1048	C₅H₈O₂	Acetylacetone	acac
1049	C₄H₈O₂S	Sulfolane	sulfolane
1050	CH(C₂H₃)₃	trivinyl methane	tvm
1051	C₆H₁₀O	cyclohexanone	chexo
1052	C₆H₁₂O	hexanal	c6h12o
1053	C₃H₇OC₃H₇	di-n-propyl ether	propr
1054	CF₃COF	trifluoroacetyl fluoride	cf3cof
1055	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1056	PF₆	Hexafluorophosphate neutral	pf6
1057	PF₆^-	Hexafluorophosphate ion	pf6-
1058	SeF₆	Selenium hexafluoride	sef6
1059	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1060	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1061	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1062	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1063	C₆H₅F	Fluorobenzene	bzf
1064	C₆H₅Cl	chlorobenzene	bzcl
1065	C₆H₅Br	bromobenzene	bzbr
1066	C₈H₆	Calicene	calicene
1067	C₆H₅CCH	phenylacetylene	phac
1068	C₈H₆	benzocyclobutadiene	bcbd
1069	C₈H₆	Pentalene	pentalene
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	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1077	C₈H₁₆	cyclooctane	cyclooct
1078	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1079	C₈H₁₈	Octane	c8h18
1080	C₆H₅CN	phenyl cyanide	phcn
1081	C₆H₁₂N₂	Triethylenediamine	ted
1082	C₄O₄^--	squarate dianion	c4o4--
1083	S₈	Octasulfur	s8
1084	C₆H₄O₂	parabenzoquinone	pbq
1085	C₄H₄N₂O₂	Uracil	uracil
1086	C₆H₅OCH₃	Anisole	anisole
1087	C₅H₉NO₂	Proline	proline
1088	C₆H₁₂O₂	Methyl pivalate	c598981
1089	C₆H₁₂O₂	Hexanoic acid	hexa
1090	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1091	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1092	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1093	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1094	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1095	C₂F₆	hexafluoroethane	c2f6
1096	IF₇	Iodine heptafluoride	if7
1097	C₆H₄F₂	metadifluorobenzene	mdfb
1098	C₆H₄F₂	orthodifluorobenzene	odfb
1099	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1100	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1101	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1102	C₉H₈	Indene	indene
1103	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1104	C₉H₁₂	n-propyl benzene	prbz
1105	C₉H₂₀	Nonane	nonane
1106	C(CN)₄	tetracyanomethane	c5n4
1107	C₅H₄N₄	purine	purine
1108	C₈H₇N	Indole	indole
1109	C₃H₃N₃O₃	cyanuric acid	cyanuric
1110	C₆H₅NO₂	Nitrobenzene	c6h5no2
1111	C₆H₅COOH	benzoic acid	benzo
1112	CH₃COC₆H₅	acetophenone	acph
1113	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1114	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1115	C₈H₁₈O	1-Octanol	octanol
1116	C₁₀H₈	Azulene	azu
1117	C₁₀H₁₆	adamantane	adamantane
1118	C₆N₄	Tetracyanoethylene	tcne
1119	C₆N₄^-	tetracyanoethylene anion	tcne-
1120	C₁₀H₂₂	Decane	decane
1121	C₄F₆	perfluorobutadiene	c4f6
1122	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1123	C₃F₈	perfluoropropane	c3f8
1124	Fe(CO)₅	Iron pentacarbonyl	ipc
1125	Fe(C₅H₅)₂	ferrocene	fecp2
1126	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1127	C₁₂H₈	Acenaphthylene	acenaph
1128	C₁₂H₈	biphenylene	biph
1129	C₁₂H₁₀	biphenyl	biphenyl
1130	C₁₂H₁₀	Heptalene	heptalene
1131	C₆H₁₂O₆	Inositol	inositol
1132	C₆F₆	hexafluorobenzene	c6f6
1133	S₂F₁₀	disulphur decafluoride	s2f10
1134	C₁₃H₁₀	Fluorene	fluorene
1135	C₁₄H₁₀	Anthracene	anth
1136	C₁₄H₁₀	Phenanthrene	phenanthrene
1137	C₁₄H₁₄	Bibenzyl	bibenzyl
1138	C₁₂H₁₀N₂	azobenzene	azobenzene
1139	C₁₆H₁₀	Pyrene	pyrene
1140	C₁₈H₁₂	Tetracene	tetracene
1141	C₁₉H₁₆	Triphenylmethane	tpm
1142	C₂₄H₁₂	Coronene	coronene
1143	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