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

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

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 radical	²A₁	D_3h
94	CH₃^-	methyl anion	¹A₁	C_3v
95	CH₃⁺	methyl cation	¹A₁^'	D_3h
96	SiH₃	Silyl radical	²A₁	C_3v
97	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
98	GeH₃	Germyl radical	²A₁	C_3v
99	GeH₃⁺	germyl cation	¹A₁^'	D_3h
100	CD₄	methane-d4	¹A₁	T_d
101	CH₂D₂	methane-d2	¹A₁	C_2v
102	CH₃D	methane-d	¹A₁	C_3v
103	CH₄	Methane	¹A₁	T_d
104	CH₄^-	Methane anion	²A₁	T_d
105	CH₄^-	Methane anion	²A₁	C_3v
106	CHD₃	methane-d3	¹A₁	C_3v
107	SiH₂D₂	silane-d2
108	SiH₄	Silane	¹A₁	T_d
109	GeH₄	Germane	¹A₁	T_d
110	SiH₅⁺	Silane, protonated
111	N	Nitrogen atom	⁴S	K_h
112	N	Nitrogen atom	²D	K_h
113	N⁺	Nitrogen atom cation	³P	K_h
114	P	Phosphorus atom	⁴S	K_h
115	V	Vanadium atom	⁴F	K_h
116	V⁺	Vanadium atom cation	⁵D	K_h
117	As	Arsenic atomic	⁴S	K_h
118	As^-	Arsenic anion	³P	K_h
119	As⁺	Arsenic cation	³P	K_h
120	PH	phosphorus monohydride	³Σ^-	C_∞v
121	AsH	Arsenic monohydride	³Σ	C_∞v
122	AsH	Arsenic monohydride	¹Σ	C_∞v
123	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
124	NH₂	Amino radical	²B₁	C_2v
125	NH₂⁺	Amino cation	³B₁	C_2v
126	NH₂⁺	Amino cation	¹A₁	C_2v
127	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
128	NH₃	Ammonia	¹A₁	C_3v
129	NH₃^-	Ammonia anion	²A₁	C_3v
130	NH₃⁺	ammonia cation	²A₂^"	D_3h
131	PH₃	Phosphine	¹A₁	C_3v
132	PH₃⁺	Phosphine cation	²A₁	C_3v
133	AsH₃	Arsine	¹A₁	C_3v
134	AsH₃⁺	Arsine cation	²A₁	C_3v
135	AsH₄⁺	Arsonium
136	NH₄	Ammonium radical
137	NH₄⁺	ammonium cation	¹A₁	T_d
138	PH₄	Phosphoranyl radical
139	PH₄⁺	phosphonium cation
140	O	Oxygen atom	³S	K_h
141	O⁺	Oxygen atom cation	⁴S	K_h
142	S	Sulfur atom	³P	K_h
143	S	Sulfur atom
144	S^-	Sulfur atom anion	²P	K_h
145	S⁺	Sulfur atom cation	⁴S	K_h
146	Se	Selenium atom	³P	K_h
147	Se^-	Selenium atom anion	²P	K_h
148	Se⁺	Selenium atom cation	⁴S	K_h
149	OH	Hydroxyl radical	²Π	C_∞v
150	OH^-	hydroxide anion	¹Σ	C_∞v
151	OH⁺	hydoxyl cation	³Σ	C_∞v
152	DS	Mercapto-d	²Π	C_∞v
153	HS	Mercapto radical	²Π	C_∞v
154	HS^-	mercapto anion	¹Σ	C_∞v
155	HS⁺	sulfur monohydride cation	³Σ	C_∞v
156	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
157	HSe	Selenium monohydride	²Π	C_∞v
158	HSe^-	selenium monohydride anion	¹Σ	C_∞v
159	HSe⁺	selenium monohydride cation	³Σ	C_∞v
160	D₂O	Deuterium oxide	¹A₁	C_2v
161	H₂O	Water	¹A₁	C_2v
162	H₂O^-	water anion	²A₁	C_2v
163	H₂O^-	water anion	²A^'	C_s
164	H₂O⁺	water cation	²B₁	C_2v
165	HDO	Water-d1	¹A₁	C_2v
166	H₂S	Hydrogen sulfide	¹A₁	C_2v
167	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
168	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
169	H₂Se	Hydrogen selenide	¹A₁	C_2v
170	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
171	H₃O⁺	hydronium cation	¹A₁	C_3v
172	H₃S⁺	Sulfonium cation	¹A₁	C_3v
173	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
174	F	Fluorine atom	²P	K_h
175	F^-	Fluorine atom anion	¹S	K_h
176	F⁺	Fluorine atom cation	³S	K_h
177	F⁺	Fluorine atom cation	¹D	K_h
178	Cl	Chlorine atom	²P	K_h
179	Cl^-	Chlorine atom anion	¹S	K_h
180	Cl⁺	Chlorine atom cation	³P	K_h
181	Cl⁺	Chlorine atom cation	¹D	K_h
182	Br	Bromine atom	²P	K_h
183	Br^-	Bromine atom anion	¹S	K_h
184	Br⁺	Bromine atom cation	³P	K_h
185	HF	Hydrogen fluoride	¹Σ	C_∞v
186	HF^-	hydrogen fluoride anion	²Σ	C_∞v
187	HF⁺	hydrogen fluoride cation	²Π	C_∞v
188	HCl	Hydrogen chloride	¹Σ	C_∞v
189	HCl^-	hydrogen chloride anion	²Σ	C_∞v
190	HCl⁺	hydrogen chloride cation	²Π	C_∞v
191	HBr	hydrogen bromide	¹Σ	C_∞v
192	HBr^-	hydrogen bromide anion	²Σ	C_∞v
193	HBr⁺	hydrogen bromide cation	²Π	C_∞v
194	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
195	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
196	Ne	Neon atom	¹S	K_h
197	Ne	Neon atom
198	Ne⁺	Neon atom cation	²P	K_h
199	Ar	Argon atom	¹S	K_h
200	Kr	Krypton atom	¹S	K_h
201	Kr⁺	Krypton cation	²P	K_h
202	HeLi⁺	Helium Lithium cation
203	NeH	neon hydrogen	²Σ	C_∞v
204	ArH⁺	Argon hydride cation	¹Σ	C_∞v
205	KrH⁺	Protonated Krypton	¹Σ	C_∞v
206	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
207	Li₂	Lithium diatomic	¹Σ_g	D_∞v
208	NaLi	lithium sodium	¹Σ	C_∞v
209	Na₂	Sodium diatomic	¹Σ_g	D_∞h
210	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
211	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
212	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
213	Be₂	Beryllium diatomic	³Π_g	D_∞h
214	BeMg	Beryllium Magnesium	¹Σ	C_∞v
215	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
216	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
217	LiB	Lithium boride	³Π	C_∞v
218	LiAl	Lithium Aluminum
219	NaAl	Sodium aluminum	¹Σ	C_∞v
220	BeB	Beryllium monoboride	²Π	C_∞v
221	B₂	Boron diatomic	³Σ_g	D_∞h
222	B₂	Boron diatomic	¹Σ_g	D_∞h
223	B₂	Boron diatomic	⁵Σ_u	D_∞h
224	B₂⁺	Boron diatomic cation	²Π	D_∞h
225	BAl	Boron Aluminum	³Σ	C_∞v
226	BGa	Boron Gallium	³Σ	C_∞v
227	AlGa	Aluminum Gallium	³Σ	C_∞v
228	AlGa	Aluminum Gallium	¹Σ	C_∞v
229	Ga₂	Gallium diatomic	³P_iu
230	HBBH	Diborane(2)	³Σ_G	D_∞h
231	LiBH₄	Lithium borohydride	¹A₁	C_3v
232	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
233	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
234	B₂H₆	Diborane	¹A_g	D_2h
235	B₂H₆⁺	Diborane cation
236	Al₂H₆	dialane	¹A_G	D_2h
237	Ga₂H₆	digallane	¹A_G	D_2h
238	LiC	Lithium Carbide	⁴Σ	C_∞v
239	BeC	Beryllium Carbide	³Σ^-	C_∞v
240	BeC	Beryllium Carbide
241	CaC	Calcium monocarbide
242	BC	boron monocarbide	⁴Σ^-	C_∞v
243	AlC	Aluminum carbide	⁴Σ	C_∞v
244	BSi	Boron silicide	⁴Σ	C_∞v
245	BSi	Boron silicide	²Σ	C_∞v
246	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
247	C₂	Carbon diatomic	³Σ_g^-
248	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
249	SiC	silicon monocarbide	³Σ	C_∞v
250	SiC	silicon monocarbide	¹Σ	C_∞v
251	GeC	Germanium monocarbide	¹Σ	C_∞v
252	SiGe	Silicon Germanium
253	C₂H	Ethynyl radical	²Σ	C_∞v
254	C₂H^-	Ethynyl anion	¹Σ	C_∞v
255	C₂H₂	Acetylene	¹Σ_g	D_∞h
256	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
257	C₂H₂⁺	acetylene cation
258	CCH₂	vinylidene	³B₂	C_2v
259	H₂CC^-	vinylidene anion
260	HCCH^-	acetylene anion
261	HCCH^-	acetylene anion
262	Si₂H₂	disilyne
263	Si₂H₂	disilyne
264	Si₂H₂	disilyne
265	Si₂H₂	disilyne
266	CH₃Li	methyl lithium	¹A₁	C_3v
267	CH₂BH	methyleneborane	¹A₁	C_2v
268	C₂H₃	vinyl	²A^'	C_s
269	C₂H₃^-	vinyl anion	¹A^'	C_s
270	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
271	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
272	C₂H₄	Ethylene	¹A_g	D_2h
273	C₂H₄^-	Ethylene anion	²A_g	C_2h
274	C₂H₄⁺	Ethylene cation	²B₃	D₂
275	Si₂H₄	Disilene
276	Si₂H₄	Disilene
277	Si₂H₄	Disilene
278	CH₃BH₂	methylborane	¹A^'	C_s
279	C₂H₅	Ethyl radical	²A^'	C_s
280	C₂H₅^-	Ethyl anion	¹A^'	C_s
281	C₂H₆	Ethane	¹A_1g	D_3d
282	C₂H₆	Ethane	¹A₁^'	D_3h
283	Si₂H₆	disilane	¹E_u	D_3d
284	GeH₃CH₃	methyl germane	¹A₁	C_3v
285	LiN	Lithium Nitride	³Σ	C_∞v
286	LiP	Lithium monophosphide
287	LiP	Lithium monophosphide
288	BeN	Beryllium mononitride	⁴Σ	C_∞v
289	BeN	Beryllium mononitride	²Π	C_∞v
290	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
291	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
292	MgN	Magnesium Nitride
293	MgN	Magnesium Nitride
294	BP	Boron monophosphide	³Π	C_∞v
295	BP	Boron monophosphide	¹Σ	C_∞v
296	AlP	Aluminum monophosphide	³Σ	C_∞v
297	AlP	Aluminum monophosphide	³Π	C_∞v
298	AlP	Aluminum monophosphide	¹Σ	C_∞v
299	GaN	Gallium mononitride	³Π	C_∞v
300	GaN	Gallium mononitride	¹Σ	C_∞v
301	GaP	Gallium monophosphide	³Σ	C_∞v
302	GaP	Gallium monophosphide	¹Σ	C_∞v
303	GaAs	Gallium arsenide	³Π
304	GaAs	Gallium arsenide	¹Σ
305	BN	boron nitride	³Π	C_∞v
306	BN	boron nitride	¹Σ	C_∞v
307	CN	Cyano radical	²Σ	C_∞v
308	CN^-	cyanide anion	¹Σ	C_∞v
309	SiP	Silicon monophosphide	²Π	C_∞v
310	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
311	N₂	Nitrogen diatomic
312	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
313	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
314	PN	Phosphorus mononitride	¹Σ	C_∞v
315	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
316	AsN	Arsenic mononitride	¹Σ	C_∞v
317	AsP	Arsenic monophosphide	¹Σ	C_∞v
318	HNC	hydrogen isocyanide	¹Σ	C_∞v
319	HCN	Hydrogen cyanide	¹Σ	C_∞v
320	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
321	HNC⁺	hydrogen isocyanide cation
322	HCP	Phosphaethyne	¹Σ	C_∞v
323	HCP⁺	Phosphaethyne cation
324	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
325	LiNH₂	lithium amide
326	HBNH	Boranimine	¹Σ	C_∞v
327	CNH₂	Aminomethylidyne radical	²B₂	C_2v
328	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
329	HCNH	methyleneazane	²A^'	CS cis
330	HCNH	methyleneazane	²A^'	CS trans
331	H₂NN	Isodiazene
332	N₂H₂	(E)-diazene	¹A_g	C_2h
333	N₂H₂	(Z)-Diazene	¹A₁	C_2v
334	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
335	CH₂NH	Methanimine	¹A^'	C_s
336	CH₂NH⁺	Methanimine cation
337	CHNH₂	aminomethylene
338	CHNH₂⁺	Aminocarbene cation
339	CH₂PH	Phosphaethene	¹A^'	C_s
340	BH₂NH₂	Boranamine
341	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
342	N₂H₄	Hydrazine	¹A	C₂
343	N₂H₄⁺	hydrazine cation	²A_G	C_2h
344	CH₃NH₂	methyl amine	¹A^'	C_s
345	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
346	CH₃PH₂	Methyl phosphine	¹A^'	C_s
347	SiH₃NH₂	Silane, amino
348	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
349	BH₃PH₃	borane phosphine
350	BH₃NH₃	borane ammonia	¹A₁	C_3v
351	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
352	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
353	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
354	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
355	N₂H₇⁺	ammonia ammonium dimer
356	LiO	lithium oxide	²Σ	C_∞v
357	LiS	Lithium monosulfide	²Π	C_∞v
358	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
359	NaO	sodium monoxide	²Σ	C_∞v
360	NaS	Sodium sulfide	²Π	C_∞v
361	LiSe	Lithium monoselenide
362	BeO	beryllium oxide	¹Σ	C_∞v
363	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
364	CaO	Calcium monoxide	¹Σ	C_∞v
365	CaS	Calcium sulfide	¹Σ	C_∞v
366	BO	boron monoxide	²Σ	C_∞v
367	ScO	Scandium monoxide	²Σ	C_∞v
368	GaO	Gallium monoxide	²Σ	C_∞v
369	GaS	Gallium monosulfide
370	CO	Carbon monoxide	¹Σ	C_∞v
371	CO^-	carbon monoxide anion	²Π	C_∞v
372	CO⁺	carbon monoxide cation	²Σ	C_∞v
373	CS	carbon monosulfide	¹Σ	C_∞v
374	SiO	Silicon monoxide	¹Σ	C_∞v
375	SiS	silicon monosulfide	¹Σ	C_∞v
376	TiO	Titanium monoxide	³Δ	C_∞v
377	CSe	Carbon monoselenide	¹Σ	C_∞v
378	GeO	Germanium monoxide	¹Σ	C_∞v
379	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
380	GeS	Germanium monosulfide	¹Σ	C_∞v
381	SiSe	Silicon Monoselenide
382	SiSe⁺	Silicon Monoselenide cation
383	GeSe	Germanium monoselenide
384	NO	Nitric oxide	²Π	C_∞v
385	NO^-	nitric oxide anion	³Σ	C_∞v
386	NO⁺	nitric oxide cation	¹Σ	C_∞v
387	NS	Mononitrogen monosulfide	²Π	C_∞v
388	NS^-	nitrogen sulfide anion	³Σ	C_∞v
389	PO	Phosphorus monoxide	²Π	C_∞v
390	PS	phosphorus sulfide	²Σ	C_∞v
391	VO	Vanadium monoxide	⁴Σ^-
392	NSe	Nitrogen monoselenide	²Π	C_∞v
393	AsS	Arsenic monosulfide	²Π	C_∞v
394	PSe	Phosphorus monoselenide	²Π	C_∞v
395	AsSe	Arsenic monoselenide	²Π	C_∞v
396	O₂	Oxygen diatomic	³Σ_g	D_∞h
397	O₂	Oxygen diatomic	¹Δ_g	D_∞h
398	O₂^-	oxygen diatomic anion	²Π	D_∞h
399	O₂^--	dioxygen dianion
400	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
401	SO	Sulfur monoxide	³Σ	C_∞v
402	SO	Sulfur monoxide	¹Σ	C_∞v
403	SO⁺	sulfur monoxide cation	²Π	C_∞v
404	S₂	Sulfur diatomic	³Σ_g	D_∞h
405	SeO	Selenium monoxide	³Σ	C_∞v
406	Se₂	Selenium diatomic	³Σ_g	D_∞h
407	LiOH	lithium hydroxide	¹Σ	C_∞v
408	BeOH	beryllium monohydroxide	²A^'	C_s
409	BeOH	beryllium monohydroxide	²Σ	C_∞v
410	HBO	Boron hydride oxide	¹Σ	C_∞v
411	HBS	hydrogen boron sulfide	¹Σ	C_∞v
412	COH	Hydroxymethylidyne
413	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
414	HCO	Formyl radical	²A^'	C_s
415	HCO^-	formyl anion	¹A^'	C_s
416	HCO⁺	Formyl cation	¹Σ	C_∞v
417	HNO	Nitrosyl hydride	¹A^'	C_s
418	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
419	NOH	Hydroxyimidogen	³A^"	C_s
420	NOH⁺	O-protonated nitric oxide	²A^'	C_s
421	HO₂	Hydroperoxy radical	²A^"	C_s
422	HO₂⁺	Hydroperoxy cation	³A^"	C_s
423	HSO⁺	Sulfur Monoxide, S-protonated
424	SOH	Sulfur Hydroxide
425	SOH⁺	Sulfur Monoxide, protonated
426	HS₂	Thiosulfeno radical	²A^"	C_s
427	H₂CO	Formaldehyde	¹A₁	C_2v
428	H₂CO^-	formaldehyde anion	²A^'	C_s
429	H₂CO^-	formaldehyde anion
430	H₂CO⁺	formaldehyde cation	²B₂	C_2v
431	HOCH	hydroxycarbene	¹A^'	CS trans
432	HOCH	hydroxycarbene	¹A^'	CS cis
433	H₂CS	Thioformaldehyde	¹A₁	C_2v
434	H₂CS^-	thioformaldehyde anion
435	H₂CS^-	thioformaldehyde anion
436	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
437	H₂CSe	Selenoformaldehyde
438	H₂NO	nitroxide	²B₁	C_2v
439	H₂NO	nitroxide	²A^'	C_s
440	H₂O₂	Hydrogen peroxide	¹A	C₂
441	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
442	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
443	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
444	H₂OO	water oxide
445	HOSH	hydrogen thioperoxide
446	H₂S₂	Disulfane	¹A	C₂
447	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
448	H₂Se₂	hydrogen diselenide
449	CH₂OH	Hydroxymethyl radical	²A	C₁
450	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
451	CH₃O^-	methoxy anion	¹A₁	C_3v
452	CH₃O⁺	Methoxy cation	³A₁	C_3v
453	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
454	NH₂OH	hydroxylamine	¹A^'	C_s
455	NH₂OH⁺	Hydroxylamine cation
456	NH₃O	Ammonia Oxide	¹A₁	C_3v
457	H₂POH	Phosphinous acid	¹A₁^'	CS trans
458	H₂POH	Phosphinous acid	¹A₁^'	CS cis
459	H₃PO	Phosphine oxide	¹A₁	C_3v
460	NH₂SH	Thiohydroxylamine
461	NH₂SH	Thiohydroxylamine
462	NH₃S	sulfidoazane
463	CH₃OH	Methyl alcohol	¹A^'	C_s
464	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
465	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
466	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
467	CH₃OH⁺	Methyl alcohol cation	²A	C₁
468	CH₃SH	Methanethiol	¹A^'	C_s
469	CH₃SH⁺	Methanethiol cation	²A^"	C_s
470	SiH₃OH	silanol
471	CH₃SeH	Methane selenol	¹A^'	C_s
472	NH₂OH₂⁺	protonated hydroxylamine
473	NH₃OH⁺	N-protonated hydroxylamine
474	H₂OH₂O	water dimer	¹A^'	C_s
475	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
476	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
477	LiF	lithium fluoride	¹Σ	C_∞v
478	LiCl	lithium chloride	¹Σ	C_∞v
479	NaF	sodium fluoride	¹Σ	C_∞v
480	NaF⁺	sodium fluoride cation	²Σ	C_∞v
481	NaCl	Sodium Chloride	¹Σ	C_∞v
482	LiBr	Lithium Bromide	¹Σ	C_∞v
483	LiF⁺	lithium fluoride cation	²Π	C_∞v
484	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
485	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
486	TiCl	Titanium Monochloride	⁴Σ	C_∞v
487	ZnF	Zinc monofluoride	²Σ	C_∞v
488	CaBr	Calcium monobromide
489	BF	Boron monofluoride	¹Σ	C_∞v
490	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
491	AlCl	Aluminum monochloride	¹Σ	C_∞v
492	ScF	Scandium monofluoride	¹Σ	C_∞v
493	BBr	Boron monobromide	¹Σ	C_∞v
494	GaF	Gallium monofluoride	¹Σ	C_∞v
495	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
496	AlBr	Aluminum monobromide
497	GaCl	Gallium monochloride	¹Σ_G	C_∞v
498	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
499	GaBr	Gallium monobromide
500	CF	Fluoromethylidyne	²Π	C_∞v
501	SiF	silicon monofluoride	²Π	C_∞v
502	SiF^-	silicon monofluoride anion	³Σ	C_∞v
503	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
504	SiCl	Clorosilylidyne	²Π	C_∞v
505	CBr	Carbon monobromide	²Π	C_∞v
506	GeF	Germanium monofluoride	²Π	C_∞v
507	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
508	GeCl	Germanium monochloride	²Π	C_∞v
509	GeCl⁺	Germanium monochloride cation
510	SiBr	Silicon monobromide	²Π	C_∞v
511	SiBr⁺	Silicon monobromide cation
512	NCl	nitrogen monochloride	³Σ	C_∞v
513	AsF	Arsenic monofluoride	³Σ	C_∞v
514	AsF	Arsenic monofluoride	¹Δ	C_∞v
515	NBr	nitrogen monobromide	³Σ^-	C_∞v
516	AsCl	Arsenic monochloride	³Σ	C_∞v
517	PBr	Phosphorus monobromide
518	FO	Oxygen monofluoride	²Π	C_∞v
519	ClO	Monochlorine monoxide	²Π	C_∞v
520	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
521	SF	Monosulfur monofluoride	²Π	C_∞v
522	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
523	SCl	sulfur monochloride	²Π	C_∞v
524	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
525	BrO	Bromine monoxide	²Π	C_∞v
526	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
527	BrO⁺	Bromine monoxide cation
528	SeF	Selenium monofluoride	²Π	C_∞v
529	SBr	Sulfur monobromide radical
530	SBr⁺	Sulfur monobromide cation
531	SeCl	Selenium monochloride	²Π	C_∞v
532	SeBr	Selenium monobromide
533	BrCl	Bromine monochloride	¹Σ	C_∞v
534	F₂	Fluorine diatomic	¹Σ_g	D_∞h
535	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
536	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
537	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
538	ClF⁺	clorine monofluoride cation	²Π	C_∞v
539	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
540	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
541	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
542	BrF	Bromine monofluoride	¹Σ	C_∞v
543	Br₂	Bromine diatomic	¹Σ_g	D_∞h
544	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
545	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
546	HCF	Fluoromethylene	¹A^'	C_s
547	HCF	Fluoromethylene	³A^"	C_s
548	HCCl	Chloromethylene	¹A^'	C_s
549	HCCl	Chloromethylene	³A^"	C_s
550	HSiF	fluorosilylene
551	HSiCl	Chlorosilylene
552	HSiBr	monobromosilylene
553	HOF	Hypofluorous acid	¹A^'	C_s
554	HOCl	hypochlorous acid	¹A^'	C_s
555	HOCl⁺	hypochlorous acid cation
556	HOBr	Hypobromous acid	¹A^'	C_s
557	HOBr⁺	Hypobromous acid cation	²A^"	C_s
558	F₂H⁺	Fluorine, protonated	¹A^'	C_s
559	ClFH⁺	Chlorine fluoride, F-protonated
560	FClH⁺	Chlorine fluoride, Cl-protonated
561	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
562	CH₂Br	bromomethyl radical
563	CH₂F	fluoromethyl radical	²A	C_s
564	CH₂F⁺	fluoromethyl cation
565	CH₂Cl⁺	chloromethyl cation
566	CH₂Cl	chloromethyl radical	²A^'	C_s
567	CH₂Cl	chloromethyl radical	²B₁	C_2v
568	NH₂Cl	chloramine	¹A^'	C_s
569	CH₃F⁺	methyl fluoride cation
570	CD₃F	methylfluoride-d3	¹A₁	C_3v
571	CH₃F	Methyl fluoride	¹A₁	C_3v
572	CD₃Cl	methyl chloride d3	¹A₁	C_3v
573	CH₃Cl	Methyl chloride	¹A₁	C_3v
574	SiH₃F	monofluorosilane	¹A₁	C_3v
575	SiH₃Cl	chlorosilane	¹A₁	C₁
576	CH₃Br	methyl bromide	¹A₁	C_3v
577	GeH₃F	monofluorogermane
578	GeH₃Cl	monochlorogermane
579	SiH₃Br	bromosilane	¹A₁	C_3v
580	NH₃Cl⁺	protonated monochloroammonia
581	CH₃ClH⁺	methyl chloride, protonated
582	NH₄Cl	Ammonium chloride
583	LiNe⁺	Lithium Neon cation
584	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
585	Ar₂	Argon diatomic	¹S_g	D_∞h
586	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
587	Li₃	Lithium trimer	²B₂	C_2v
588	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
589	C₃	carbon trimer	¹Σ_g	D_∞h
590	C₃	carbon trimer	¹A₁	C_2v
591	SiC₂	Silicon dicarbide
592	C₃H₃	cyclopropenyl radical	²A^'	C_s
593	C₃H₄	cyclopropene	¹A₁	C_2v
594	CH₂CCH₂	allene	¹A₁	D_2d
595	CH₃CCH	propyne	¹A^'	C_3v
596	C₃H₅	Allyl radical	²A₂	C_2v
597	C₃H₅	Allyl radical	²A^"	C_s
598	CH₃CHCH	1-propenyl radical	²A^'	C_s
599	C₃H₆	Cyclopropane	¹A₁^'	D_3h
600	CH₂CHCH₃	Propene	¹A^'	C_s
601	C₃H₇	n-Propyl radical	²A^"	C₁
602	CH₃CHCH₃	Isopropyl radical	²A	C₂
603	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
604	C₃H₈	Propane	¹A₁	C_2v
605	SiH₂(CH₃)₂	dimethylsilane	¹A₁	C_2v
606	Si₃H₈	trisilane
607	LiCN	lithium cyanide	¹Σ	C*V LiCN
608	LiCN	lithium cyanide	¹A^'	C_s
609	LiCN	lithium cyanide	¹Σ	C*V LiNC
610	NaCN	Sodium Cyanide	¹Σ	C_∞v
611	NaCN	Sodium Cyanide	¹A	C_s
612	NaCN	Sodium Cyanide	¹Σ	C_∞v
613	ZnCN	Zinc monocyanide	²Σ	C_∞v
614	ZnNC	Zinc isocyanide	²Σ	C_∞v
615	AlCN	Aluminum monocyanide
616	AlNC	Aluminum isocyanide
617	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
618	CNN	Diazocarbene
619	NCN	Cyanoimidogen	³Σ_g	D_∞h
620	NCN	Cyanoimidogen	¹Σ_g	D_∞h
621	N₃	azide radical	²Π_g	D_∞h
622	N₃⁺	azide cation	³Σ_g	D_∞h
623	N₃⁺	azide cation	³Σ	C_∞v
624	HCCN	cyanomethylene	³A^"	C_s
625	HCCN	cyanomethylene	³Σ	C_∞v
626	HCCN	cyanomethylene
627	HN₃	hydrogen azide	¹A^'	C_s
628	HN₃⁺	Hydrazoic acid cation
629	HNCNH	diiminomethane	¹A	C₂
630	NH₂CN	cyanamide	¹A₁	C_2v
631	HNNNH⁺	1,2-Triazadienium
632	NH₂NN⁺	hydrazoic acid, protonated
633	CH₃CN	Acetonitrile	¹A₁	C_3v
634	CH₃CN^-	acetonitrile anion	²E	C_3v
635	CH₃CN^-	acetonitrile anion	²A^'	C_s
636	CH₃NC	methyl isocyanide	¹A₁	C_3v
637	CHNCH₂	2H-Azirine
638	CHNHCH	1H-Azirine
639	H₂CCNH	Ethenimine
640	H₂CNCH	methyleneaminomethylene
641	HCCNH₂	Ethynamine
642	HCNCH₂⁺	2H-Azirine cation
643	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
644	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
645	NH₂CNH⁺	cyanamide, cn protonated
646	NH₃CN⁺	cyanamide, amine protonated
647	CH₂CHNH	vinylazine	²A^"	CS cis
648	CH₂CHNH	vinylazine	²A^"	CS trans
649	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
650	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
651	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
652	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
653	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
654	CH₃CH₂NH₂	Ethylamine
655	CH₃NHCH₃	Dimethylamine	¹A^'	C_s
656	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
657	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
658	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
659	Li₂O	dilithium oxide	¹Σ_g	D_∞h
660	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
661	Li₂S	dilithium sulfide	¹A₁	C_2v
662	Na₂O	disodium monoxide	¹Σ_g	Linear
663	Na₂O	disodium monoxide	¹A₁	C_2v
664	Na₂S	Sodium sulfide
665	Na₂S	Sodium sulfide
666	LiO₂	Lithium dioxide
667	NaO₂	Sodium superoxide
668	CCO	Dicarbon monoxide	³Σ	C_∞v
669	CCO	Dicarbon monoxide	¹Π	C_∞v
670	NCO	isocyanato radical	²Π	C_∞v
671	N₂O	Nitrous oxide	¹Σ	C_∞v
672	N₂O^-	Nitrous oxide anion	²A^'	C_s
673	NNS	Nitrogen sulfide	¹Σ	C_∞v
674	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
675	CO₂	Carbon dioxide	¹Σ_g	D_∞h
676	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
677	OCS	Carbonyl sulfide	¹Σ	C_∞v
678	CS₂	Carbon disulfide	¹Σ_g	D_∞h
679	CS₂^-	Carbon disulfide anion	²A₁	C_2v
680	TiO₂	Titanium dioxide	¹A₁	C_2v
681	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
682	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
683	OCSe	Carbonyl selenide	¹Σ	C_∞v
684	SCSe	Carbon sulfide selenide
685	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
686	CSe₂	Carbon diselenide	¹A₁	D_∞h
687	NO₂	Nitrogen dioxide	²A₁	C_2v
688	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
689	NSO	sulfinyl amidogen
690	SNO	Nitrogen oxide sulfide
691	AsO₂	Aresenic dioxide	²A₁	C_2v
692	O₃	Ozone	¹A₁	C_s
693	SO₂	Sulfur dioxide	¹A₁	C_2v
694	SSO	Disulfur monoxide	¹A^'	C_s
695	S₃	Sulfur trimer	¹A₁	C_2v
696	S₃	Sulfur trimer
697	S₃⁺	Sulfur trimer cation	²B₂	C_2v
698	SeO₂	Selenium dioxide	¹A₁	C_2v
699	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
700	HCCO	ketenyl radical	²Π	C_∞v
701	HCCO	ketenyl radical	²A^"	C_s
702	HCNO	fulminic acid	¹Σ	C_∞v
703	HCNO	fulminic acid	¹A^'	C_s
704	HNCS	Isothiocyanic acid
705	HNCS	Isothiocyanic acid
706	HSCN	thiocyanic acid	¹A^'	C_s
707	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
708	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
709	HCOO	formate neutral radical	²A^'	C_s
710	HOCO	Hydrocarboxyl radical	¹A^'	cis
711	HOCO	Hydrocarboxyl radical	¹A^'	trans
712	O₃H⁺	protonated ozone	¹A^'	C_s
713	O₃H⁺	protonated ozone
714	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
715	C₂H₂O	Oxirene	¹A₁	C_2v
716	CH₂CO	Ketene	¹A₁	C_2v
717	CH₂CS	Thioketene
718	Be(OH)₂	Beryllium hydroxide
719	Be(OH)₂	Beryllium hydroxide
720	NH₂NO	Nitrosamide	¹A	C₁
721	CH₂O₂	Dioxirane	¹A₁	C_2v
722	H₂COO	Dioxymethyl radical	²A^'	C_s
723	H₂COO⁺	dioxymethyl cation	²A^'	C_s
724	HCOOH	Formic acid	¹A^'	C_s
725	HCOOH	Formic acid
726	H₂O₃	Hydrogen trioxide	¹A	C₂
727	HSSSH	trisulfane	¹A^'	C_s
728	NaOCH₃	Sodium methoxide	¹A₁	C_3v
729	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
730	BH₃CO	Borane carbonyl	¹A₁	C_3v
731	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
732	CH₂COH⁺	ketene, protonated
733	CH₂NOH	formaldoxime	¹A^'	C_s
734	CH₃NO	nitrosomethane	¹A^'	C_s
735	CHONH₂	formamide	¹A^'	Planar
736	CHONH₂	formamide	¹A	Non-Planar
737	CNOH₃	1,2-oxaziridine	¹A	C₁
738	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
739	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
740	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
741	CHSNH₂	thioformamide
742	NHCHSH	Methanimidothioic acid
743	C₂H₄O	Ethylene oxide	¹A₁	C_2v
744	C₂H₄O⁺	ethylene oxide cation
745	CH₃CHO	Acetaldehyde	¹A^'	C_s
746	CH₃CHO⁺	acetaldehyde cation
747	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
748	C₂H₄S	Thiirane	¹A₁	C_2v
749	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
750	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
751	NH₂CHOH⁺	Formamide, O-protonated
752	CH₂(OH)₂	methanediol	¹A	C₂
753	CH₃SSH	Hydrogen methyl disulfide
754	HSCH₂SH	Methanedithiol
755	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
756	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
757	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
758	NH₂CH₂OH	aminomethanol
759	CH₃CH₂OH	Ethanol	¹A^'	C_s
760	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
761	CH₃CH₂SH	ethanethiol	¹A^'	C_s
762	CH₃CH₂SH	ethanethiol	¹A	C₁
763	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
764	CH₃SCH₃⁺	dimethyl sulfide cation
765	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
766	CuF₂	Copper difluoride	²Π_g	D_∞h
767	CNF	iso cyanogen fluoride	¹Σ	C_∞v
768	FCN	Cyanogen fluoride	¹Σ	C_∞v
769	ClCN	chlorocyanogen	¹Σ	C_∞v
770	BrCN	Cyanogen bromide	¹Σ	C_∞v
771	FBO	Boron monofluoride monoxide
772	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
773	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
774	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
775	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
776	BeBr₂	Beryllium bromide
777	CaBr₂	Calcium dibromide
778	FCO	Carbonyl fluoride	²A^'	C_s
779	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
780	ClCO	carbonyl monochloride	²A^'	C_s
781	BF₂	Boron difluoride radical	²A₁	C_2v
782	FNO	Nitrosyl fluoride	¹A^'	C_s
783	ClNO	Nitrosyl chloride	¹A^'	C_s
784	FNS	Thionitrosyl fluoride	¹A^'	C_s
785	FSN	Thiazyl fluoride	¹A^'	C_s
786	OPCl	Phosphorus oxychloride
787	CF₂	Difluoromethylene	¹A₁	D_∞h
788	CFCl	chlorofluoromethylene	¹A^'	C_s
789	SiF₂	Silicon difluoride	¹A₁	C_2v
790	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
791	GeF₂	Germanium difluoride	¹A₁	C_2v
792	GeCl₂	Germanium dichloride	¹A₁	C_2v
793	CBr₂	dibromomethylene	¹A₁	C_2v
794	CBr₂	dibromomethylene	³B₁	C_2v
795	FOO⁺	Fluorine dioxide cation
796	OClO	Chlorine dioxide	²B₁	D_∞h
797	OClO^-	Chlorine dioxide anion	¹A^'	C_s
798	ClSO	Sulfur chloride oxide	²A^"	C_s
799	BrOO	Bromine dioxide
800	OBrO	Bromine dioxide radical	²B₁	C_2v
801	PF₂	Phosphorus difluoride
802	PF₂⁺	Phosphorus difluoride cation
803	FClO	chlorosyl fluoride	¹A^'	C_s
804	F₂O	Difluorine monoxide	¹A₁	C_2v
805	ClOF	Chlorine hypofluorite	¹A^'	C_s
806	SF₂	sulfur difluoride	¹A₁	C_2v
807	SF₂^-	sulfur difluoride anion	²A^'	C_s
808	SF₂^-	sulfur difluoride anion	²Π	D_∞h
809	SCl₂	Sulfur dichloride	¹A₁	C_2v
810	SeF₂	Selenium difluoride
811	SeCl₂	Selenium Dichloride
812	SBr₂	Sulfur dibromide
813	SeBr₂	Selenium dibromide
814	F₃^-	trifluoride anion	¹Σ_g	D_∞h
815	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
816	Br₃^-	tribromide anion
817	SFCl	Sulfur chloride fluoride
818	HCCF	Fluoroacetylene	¹Σ	C_∞v
819	HCCCl	Chloroacetylene	¹Σ	C_∞v
820	HCCBr	bromoacetylene	¹Σ	C_∞v
821	HFCO	formyl fluoride	¹A^'	C_s
822	HFCO⁺	formyl fluoride cation	²A^'	C_s
823	CHCl₂	dichloromethyl radical	²B₁	C_2v
824	CHCl₂	dichloromethyl radical	²A^'	C_s
825	CHF₂	difluoromethyl radical	²A	C_s
826	CHF₂⁺	difluoromethyl cation
827	CHFCl	Chlorofluoromethyl radical
828	CHFCl⁺	Chlorofluoromethyl cation
829	CHCl₂⁺	dichloromethyl cation
830	CHBr₂	dibromomethyl radical
831	NHF₂	difluoramine
832	NHCl₂	dichloroamine
833	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
834	CH₂FCl	fluorochloromethane	¹A^'	C_s
835	SiH₂F₂	difluorosilane
836	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
837	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
838	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
839	CH₂Br₂	dibromomethane	¹A₁	C_2v
840	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
841	CH₃MgBr	Methyl Magnesium Bromide
842	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
843	C₂H₃Cl	Ethene, chloro-	¹A^'	C_s
844	C₂H₃Br	vinyl bromide	¹A^'	C_s
845	CH₂FOH	fluoromethanol
846	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
847	CHClCH₃	1-chloroethyl radical	²A	C₁
848	C₂H₅F	fluoroethane	¹A^'	C_s
849	CH₃CH₂Cl	Ethyl chloride	¹A^'	C_s
850	C₂H₅Br	Ethyl bromide	¹A^'	C_s
851	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
852	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
853	C₄	Carbon tetramer	³Σ_g	D_∞h
854	C₄	Carbon tetramer
855	C₄H₂	Diacetylene	¹Σ_g	D_∞h
856	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
857	C₂H₃CCH	1-Buten-3-yne	¹A^'	C₁
858	C₄H₄	cyclobutadiene	¹A_g	D_2h
859	C₄H₄	Tetrahedrane
860	C₄H₆	Cyclobutene	¹A₁	C_2v
861	C₄H₆	Methylenecyclopropane	¹A₁	C_2v
862	CH₂CCHCH₃	1,2-Butadiene	¹A^'	C₁
863	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
864	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
865	C₄H₈	methylcyclopropane	¹A^'	C_s
866	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	¹A₁	C_2v
867	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
868	CH₃CHCHCH₃	2-Butene, (Z)-	¹A₁	C_2v
869	CH₃CH(CH₃)CH₃	Isobutane	¹A₁	C_3v
870	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
871	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
872	Li₃N	trilithium nitride	¹A^'	D_3h
873	Li₃N	trilithium nitride	¹A₁	C_3v
874	C₂N₂	Cyanogen	¹Σ_g	D_∞h
875	As₄	Arsenic tetramer	¹A₁	T_d
876	HCCCN	Cyanoacetylene	¹Σ	C_∞v
877	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
878	H₂CNCN	cyanamide, methylene
879	HNCCNH	Ethenediimine
880	C₃H₃N	acrylonitrile	¹A^'	C_s
881	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
882	CH₃N₃	methyl azide	¹A^'	C_s
883	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
884	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
885	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
886	C₂H₅CN	ethyl cyanide	¹A^'	C_s
887	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
888	H₂NCHCHNH₂	diaminoethylene
889	C₃H₇N	Cyclopropylamine	¹A^'	C₁
890	CH₇N₃	triaminomethane
891	C₄H₈	cyclobutane	¹A₁	D_2d
892	CH₃CH(NH₂)CH₃	2-Propanamine	¹A^'	C_s
893	N(CH₃)₃	Trimethylamine	¹A₁	C_3v
894	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
895	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
896	N(SiH₃)₃	trisilylamine
897	(CH₃)₃NH⁺	protonated trimethyl amine
898	C₃O	Tricarbon monoxide	¹Σ	C_∞v
899	ONNO	NO dimer	¹A_g	trans C2H
900	ONNO	NO dimer	¹A₁	cis C2V
901	S₂N₂	Disulfur dinitride	¹A_G	D_2h
902	CS₃^--	Carbonotrithioate
903	NO₃^-	nitrate anion	¹A₁^'	D_3h
904	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
905	SO₃	Sulfur trioxide	¹A₁^'	D_3h
906	SO₃^--	Sulfate dianion
907	SeO₃	selenium trioxide	¹A₁^'	D_3h
908	S₄	Sulfur tetramer
909	S₄	Sulfur tetramer
910	S₄	Sulfur tetramer
911	HNO₃	Nitric acid	¹A^'	C_s
912	NH₂NO₂	nitramide	¹A^'	C_s
913	C₃H₂O	Propadienal
914	C₃H₂O	Propadienal
915	C₂H₂O₂	Ethanedial	¹A_g	C_2h
916	H₂SO₃	Sulfurous acid	¹A^'	C_s
917	CH₃NCO	methylisocyante
918	HOCH₂CN	cyanomethanol
919	CH₃NO₂	Methane, nitro-	¹A^'	C_s
920	CH₃ONO	Methyl nitrite	¹A^'	C₁
921	NH₂COOH	Carbamic acid	¹A^'	C_s
922	NH₂COOH	Carbamic acid	¹A	C₁
923	H₃AlO₃	Aluminum hydroxide
924	C₃H₄O	Cyclopropanone	¹A₁	C_2v
925	CH₂CHCHO	Acrolein	¹A^'	C_s
926	CH₂CHCHO	Acrolein
927	NH₂CONH₂	Urea	¹A	C₂
928	NH₂CONH₂	Urea	¹A^'	C_s
929	NH₂CONH₂	Urea	¹A₁	C_2v
930	CH₃COOH	Acetic acid	¹A^'	C_s
931	CH₃OCHO	methyl formate	¹A^'	C_s
932	CHOCH₂OH	hydroxy acetaldehyde	¹A^'	CS H in
933	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
934	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
935	CH₃COCH₂	Acetonyl radical	²A^"	C_s
936	CH₂C(OH)NH₂	1-amino vinyl alchohol
937	CH₃C(OH)=NH	Ethaninidic acid
938	CH₃CHNOH	Acetaldoxime	¹A^'	CS trans
939	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
940	CH₃CONH₂	Acetamide	¹A^'	C₁
941	HCONHCH₃	N-methylformamide	¹A^'	CS cis
942	HCONHCH₃	N-methylformamide	¹A^'	CS trans
943	CH₃CSNH₂	Ethanethioamide
944	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
945	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
946	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
947	C₃H₅OH	Cyclopropanol	¹A	C₁
948	C₃H₆O	2-Propen-1-ol	¹A	C₁
949	C₃H₆O	Acetone enol	¹A^'	C_s
950	C₃H₆O	Oxetane	¹A₁	C_2v
951	C₃H₆O	Oxetane	¹A^'	C_s
952	C₃H₆O	Propylene oxide	¹A	C₁
953	CH₃CH₂CHO	Propanal	¹A^'	C_s
954	CH₃COCH₃^-	acetone anion	²A^'	C_s
955	C₃H₆S	Thietane	¹A^'	C_s
956	C₃H₆S	Thiirane, methyl-	¹A	C₁
957	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
958	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
959	C₃H₇OH	1-Propanol	¹A^'	C_s
960	C₃H₇OH	1-Propanol
961	CH₃CHOHCH₃	Isopropyl alcohol	¹A	C₁
962	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
963	Li₂F₂	Lithium fluoride dimer
964	FNO₂	Nitryl fluoride	¹A₁	C_2v
965	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
966	ClNO₂	Nitryl chloride	¹A₁	C_2v
967	ClONO	chlorine nitrite	¹A^'	CS cis
968	N₂F₂	(Z)-Difluorodiazene	¹A₁	C_2v
969	CF₂O	Carbonic difluoride	¹A₁	C_2v
970	CF₂O⁺	Carbonic difluoride cation
971	CCl₂O	Phosgene	¹A₁	C_2v
972	Cl₂CS	Thiophosgene	¹A₁	C_2v
973	BF₃	Borane, trifluoro-	¹A^'	D_3h
974	BF₃⁺	boron trifluoride cation	²B₂	C_2v
975	BF₃⁺	boron trifluoride cation
976	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
977	BClF₂	Chlorodifluoroborane
978	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
979	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
980	BCl₃⁺	Boron Trichloride cation
981	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
982	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
983	BBr₃	Boron tribromide	¹A₁^'	D_3h
984	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
985	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
986	CF₂Cl	difluorochloromethyl radical
987	SiF₃	Silicon trifluoride radical	²A₁	C_3v
988	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
989	CFCl₂	dichlorofluoromethyl radical
990	CBr₃	tribromomethyl radical
991	FOOF	Perfluoroperoxide	¹A	C₂
992	ClO₂F	Chloryl fluoride	¹A^'	C_s
993	F₂SO	Thionyl Fluoride	¹A^'	C_s
994	ClOOCl	Dichlorine dioxide	¹A	C₂
995	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
996	SOCl₂	thionyl chloride	¹A^'	C_s
997	SSCl₂	Thiothionyl chloride
998	NF₃	Nitrogen trifluoride	¹A₁	C_3v
999	PF₃	Phosphorus trifluoride	¹A₁	C_3v
1000	NCl₃	nitrogen trichloride	¹A₁	C_3v
1001	AsF₃	Arsenic trifluoride	¹A₁	C_3v
1002	PCl₃	Phosphorus trichloride	¹A₁	C_3v
1003	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1004	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1005	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1006	SF₃	Sulfur trifluoride	²A^'	C_s
1007	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1008	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1009	HClO₃	Chloric Acid	¹A^'	C_s
1010	HClO₃	Chloric Acid	¹A	C₁
1011	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1012	SiHF₃	trifluorosilane
1013	CHFCl₂	fluorodichloromethane	¹A^'	C_s
1014	CDCl₃	trichloromethane-d	¹A₁	C_3v
1015	CHCl₃	Chloroform	¹A₁	C_3v
1016	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1017	SiHCl₃	Trichlorosilane	¹A₁	C_3v
1018	CHFClBr	fluorochlorobromomethane	¹A	C₁
1019	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1020	CHBr₂F	dibromofluoromethane
1021	CHBr₃	bromoform	¹A₁	C_3v
1022	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1023	AsF₃H⁺	Arsenic trifluoride, protonated
1024	CH₂CF₂	Ethene, 1,1-difluoro-	¹A₁	C_2v
1025	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1026	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1027	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1028	CH₂CCl₂	Ethene, 1,1-dichloro-	¹A₁	C_2v
1029	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	¹A₁	C_2v
1030	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1031	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1032	CH₃COF	Acetyl fluoride	¹A^'	NULL
1033	CH₃COCl	Acetyl Chloride	¹A^'	C_s
1034	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1035	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1036	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1037	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1038	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1039	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1040	CH₃CHCl₂	Ethane, 1,1-dichloro-	¹A^'	C_s
1041	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1042	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1043	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1044	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1045	CH₂CHCH₂F	Allyl Fluoride
1046	CH₂CHCH₂F	Allyl Fluoride
1047	CH₃CHCHF	trans-1-Fluoro-1-propene
1048	C₃H₅Cl	1-chloro-1-propene(E)	¹A^'	C_s
1049	C₃H₅Cl	1-chloro-1-propene(Z)	¹A^'	C_s
1050	CH₂FCH₂OH	2-fluoroethanol
1051	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1052	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1053	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1054	CH₂FCH₂CH₃	1-Fluoropropane
1055	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1056	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1057	B₅H₉	pentaborane9
1058	C₅H₄	pentatetraene
1059	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1060	C₅H₆	Propellane	¹A₁	D_3h
1061	C₅H₈	Bicyclo[1.1.1]pentane
1062	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1063	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1064	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1065	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1066	C₄H₄N	pyrrolide radical	²A₂	C_2v
1067	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1068	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1069	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1070	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1071	C₄H₅N	Pyrrole	¹A₁	C_2v
1072	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1073	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1074	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1075	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1076	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1077	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1078	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1079	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1080	B₂O₃	diboron trioxide
1081	B₂O₃	diboron trioxide
1082	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1083	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1084	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1085	HOONO₂	peroxy nitric acid	¹A	C₁
1086	HSO₄^-	bisulfate anion	¹A^'	C_s
1087	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1088	CHOOCHO	diformyl ether
1089	H₂SeO₄	Selenic acid	¹A	C₂
1090	C₃H₃NO	Isoxazole	¹A^'	C_s
1091	C₃H₃NO	Oxazole	¹A^'	C_s
1092	C₃H₃NS	Thiazole
1093	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1094	C₄H₄Se	selenophene
1095	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1096	HOCHCCHOH	allenediol	¹A	C₂
1097	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1098	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1099	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1100	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1101	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1102	CH₂CHSCHCH₂	Divinyl sulfide
1103	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1104	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1105	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1106	C₄H₁₀O	1-Butanol	¹A^'	C_s
1107	C₄H₁₀O	1-Propanol, 2-methyl-	¹A	C₁
1108	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1109	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1110	C₄H₉SH	1-Butanethiol
1111	BrONO₂	Bromine nitrate	¹A^'	C_s
1112	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1113	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1114	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1115	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1116	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1117	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1118	CBrCl₂F	bromodichlorofluoromethane
1119	CBr₂ClF	dibromochlorofluoromethane
1120	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1121	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1122	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1123	CBr₄	Carbon tetrabromide	¹A₁	T_d
1124	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1125	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1126	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1127	SeF₄	Selenium tetrafluoride
1128	SCl₄	Sulfur tetrachloride
1129	CF₃OH	trifluoromethanol	¹A^'	C_s
1130	CH₂ClCCCl	1,3-dichloropropyne
1131	CHCl₂CCH	3,3-dichloropropyne
1132	CHCl₂CHO	dichloroacetaldehyde
1133	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1134	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1135	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1136	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1137	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1138	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1139	CH₂FCH₂CH₂F	1,3-difluoropropane
1140	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1141	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1142	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1143	C₂H₂N₂O	Furazan
1144	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1145	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1146	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1147	C₆H₅^-	phenyl anion	¹A₁	C_2v
1148	C₆H₆	Prismane
1149	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1150	C₆H₆	Dewar Benzene
1151	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1152	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1153	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1154	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1155	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1156	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1157	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1158	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1159	C₆H₁₂	hex-1-ene	¹A^'	C_s
1160	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1161	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1162	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1163	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1164	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1165	C₃H₂O₃	vinylene carbonate
1166	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1167	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1168	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1169	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1170	C₅H₆O	2H-Pyran
1171	C₅H₆O	Pentadienal
1172	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1173	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1174	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1175	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1176	C₅H₈O	Cyclopentanone	¹A	C₂
1177	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1178	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1179	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1180	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1181	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1182	C₄F₂	difluorobutadiyne
1183	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1184	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1185	C₂ClF₃	Ethene, chlorotrifluoro-
1186	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1187	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1188	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1189	C₂Br₄	tetrabromoethene
1190	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1191	SiF₅^-	silicon pentafluoride anion
1192	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1193	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1194	SF₅	Sulfur pentafluoride	²A₁	C_4v
1195	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1196	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1197	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1198	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1199	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1200	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1201	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1202	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1203	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1204	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1205	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1206	C₄H₈O₂	Butanoic acid	¹A	C₁
1207	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1208	C₇H₁₂	Norbornane	¹A₁	C_2v
1209	CH(CN)₃	tricyanomethane
1210	HN=C=C(CN)₂	Dicyanoketenimine
1211	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1212	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1213	C₅H₈O₂	Acetylacetone	¹A	C₂
1214	C₇H₁₀	Norbornene
1215	C₆H₁₂O	Oxepane
1216	F₂CCCF₂	tetrafluoroallene
1217	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1218	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1219	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1220	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1221	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1222	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1223	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1224	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1225	C₈H₆	Calicene	¹A₁	C_2v
1226	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1227	C₈H₆	Pentalene	¹A_g	C_2h
1228	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1229	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1230	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1231	S₄N₄	Tetrasulfur tetranitride
1232	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1233	C₅H₉NO₂	Proline	¹A	C₁
1234	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1235	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1236	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1237	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1238	C₆H₄Cl₂	1,4-dichlorobenzene
1239	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1240	C₉H₈	Indene	¹A^'	C_s
1241	C₉H₂₀	Nonane	¹A₁	C_2v
1242	C(CN)₄	tetracyanomethane	¹A₁	T_d
1243	C₃F₆	hexafluoropropene
1244	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1245	C₈H₁₈O	1-Octanol
1246	C₁₀H₈	Azulene	¹A₁	C_2v
1247	C₁₀H₈	naphthalene	¹A_g	D_2h
1248	C₁₀H₁₀	bullvalene
1249	C₁₂H₈	biphenylene	¹A_g	D_2h
1250	S₂F₁₀	disulphur decafluoride
1251	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1252	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	SiH₃^-	Silyl anion	sih3-
61	CH₄⁺	Methane cation	ch4+
62	SiH₄⁺	Silane cation	sih4+
63	SnH₄	Stannane	snh4
64	N^-	Nitrogen atom anion	n-
65	P^-	Phosphorus atom anion	p-
66	P⁺	Phosphorus atom cation	p+
67	Sb	Antimony atom	sb
68	NH	Imidogen	nh
69	NH^-	Imidogen anion	nh-
70	NH⁺	imidogen cation	nh+
71	PH^-	phosphorus monohydride anion	ph-
72	PH⁺	phosphorus monohydride cation	ph+
73	SbH	Antimony monohydride	sbh
74	ND₂	Amidogen-d2	nd2
75	NH₂^-	amino anion	nh2-
76	PH₂	Phosphino radical	ph2
77	PH₂^-	Phosphino anion	ph2-
78	PH₂⁺	Phosphino cation	ph2+
79	AsH₂	Arsenic dihydride	ash2
80	ND₃	Ammonia-d3	nd3
81	SbH₃	Stibine	sbh3
82	O^-	Oxygen atom anion	o-
83	Cr	Chromium atom	cr
84	Te	Tellurium atom	te
85	Te⁺	Tellurium atom cation	te+
86	DO	Hydroxyl-d	od
87	CrH	Chromium hydride	crh
88	TeH	Telluryl radical	teh
89	D₂S	Hydrogen sulfide-d2	d2s
90	H₂Te	Hydrogen Telluride	h2te
91	Mn	Manganese atom	mn
92	I	Iodine atom	iodine
93	I^-	Iodine atom anion	iodine-
94	I⁺	Iodine atom cation	iodine+
95	DF	Hydrofluoric acid-d	df
96	DCl	Hydrochloric acid-d	dcl
97	HI	Hydrogen iodide	hi
98	HI⁺	Hydrogen iodide cation	hi+
99	H₂F⁺	dihydrogen fluoride cation	h2f+
100	H₂I⁺	Iodonium	h2i+
101	Ne^-	Neon atom anion	ne-
102	Ar^-	Argon atom anion	ar-
103	Ar⁺	Argon atom cation	ar+
104	Fe	Iron atom	fe
105	Xe	Xenon atom	xe
106	NeH⁺	neon hydrogen cation	neh+
107	XeH⁺	Xenon, protonated	xeh+
108	Co	Cobalt atom	cobalt
109	Ni	Nickel atom	ni
110	Li₂^-	lithium diatomic anion	li2-
111	Li₂⁺	lithium diatomic cation	li2+
112	NaLi^-	lithium sodium anion	lina-
113	NaLi⁺	lithium sodium cation	lina+
114	LiK	Lithium Potassium	lik
115	NaK	Sodium Potassium	nak
116	NaK⁺	Sodium Potassium diatomic cation	nak+
117	K₂	Potassium diatomic	k2
118	Cu₂	Copper diatomic	cu2
119	LiBe	Lithium Beryllium	libe
120	LiMg	Lithium magnesium	limg
121	NaBe	Sodium Beryllium	nabe
122	NaMg	Sodium Magnesium	namg
123	Be₂^-	Beryllium diatomic anion	be2-
124	Be₂⁺	Beryllium diatomic cation	be2+
125	Mg₂^-	magnesium diatomic anion	mg2-
126	Mg₂⁺	magnesium diatomic cation	mg2+
127	B₂^-	Boron diatomic anion	b2-
128	Al₂	Aluminum diatomic	al2
129	Al₂^-	aluminum diatomic anion	al2-
130	Al₂⁺	aluminum diatomic cation	al2+
131	BC^-	boron monocarbide anion	bc-
132	BC⁺	boron monocarbide cation	bc+
133	C₂^-	carbon diatomic anion	c2-
134	SiC^-	silicon monocarbide anion	sic-
135	SiC⁺	silicon monocarbide cation	sic+
136	Si₂	Silicon diatomic	si2
137	Si₂^-	silcon diatomic anion	si2-
138	Si₂⁺	silcon diatomic cation	si2+
139	Ge₂	Germanium diatomic	ge2
140	C₂H⁺	Ethynyl cation	c2h+
141	ZnCH₂	Zinc methylene	znch2
142	CCH₂	vinylidene	vinylidene
143	CuCH₃	monomethyl copper	cuch3
144	ZnCH₃	Zinc monomethyl	znch3
145	CH₃CH	methylmethylene	ch3ch
146	CH₂SiH₂	silaethylene	ch2sih2
147	C₂H₅⁺	Ethyl cation	c2h5+
148	C₂H₆⁺	ethane cation	c2h6+
149	CH₃SiH₃	methyl silane	ch3sih3
150	C₂H₇⁺	Ethane, protonated	c2h7+
151	LiN⁺	Lithium Nitride cation	lin+
152	BeN^-	Beryllium mononitride anion	ben-
153	BN^-	boron nitride anion	bn-
154	AlN^-	aluminum mononitride anion	aln-
155	AlN⁺	aluminum mononitride cation	aln+
156	BN⁺	boron nitride cation	bn+
157	AlN	Aluminum nitride	aln
158	CN⁺	Cyano cation	cn+
159	CP	Carbon monophosphide	cp
160	CP^-	carbon monophosphide anion	cp-
161	CP⁺	carbon monophosphide cation	cp+
162	SiN	Silicon nitride	sin
163	SiN^-	silicon mononitride anion	sin-
164	SiN⁺	silicon mononitride cation	sin+
165	SiP^-	Silicon monophosphide anion	sip-
166	SiP⁺	Silicon monophosphide cation	sip+
167	TiN	Titanium mononitride	tin
168	PN^-	phosphorus nitride anion	pn-
169	PN⁺	phosphorus nitride cation	pn+
170	P₂^-	phosphorus diatomic anion	p2-
171	P₂⁺	phosphorus diatomic cation	p2+
172	SbN	Antimony nitride	sbn
173	As₂	Arsenic diatomic	as2
174	HNB	hydrogen nitrogen boron	hnb
175	HCN^-	Hydrogen cyanide anion	hcn-
176	NNH	Dinitrogen monohydride	nnh
177	HPO	Hydrogen phosphorus oxide	hpo
178	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
179	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
180	H₂CN⁺	hydrocyanonium cation	h2cn+
181	HCNH⁺	N-protonated HCN	hcnh+
182	P₂H₄	Diphosphine	p2h4
183	CH₃NH₃⁺	protonated methylamine	ch3nh3+
184	LiO^-	lithium oxide anion	lio-
185	LiO⁺	lithium oxide cation	lio+
186	NaO^-	sodium oxide anion	nao-
187	NaO⁺	sodium oxide cation	nao+
188	KO	Potassium monoxide	ko
189	KO⁺	Potassium monoxide cation	ko+
190	CuO	Copper Monoxide	cuo
191	BeO^-	Beryllium monoxide anion	beo-
192	BeS	beryllium sulfide	bes
193	MgO	magnesium oxide	mgo
194	MgO^-	magnesium oxide anion	mgo-
195	MgO⁺	magnesium oxide cation	mgo+
196	MgS	magnesium sulfide	mgs
197	MgS^-	magnesium sulfide anion	mgs-
198	MgS⁺	magnesium sulfide cation	mgs+
199	ZnO	zinc monoxide	zno
200	ZnS	Zinc sulfide	zns
201	BeS^-	Beryllium monosulfide anion	bes-
202	BeS⁺	Beryllium monosulfide cation	bes+
203	BO^-	boron monoxide anion	bo-
204	AlO	Aluminum monoxide	alo
205	AlO^-	Aluminum monoxide anion	alo-
206	AlO⁺	aluminum monoxide cation	alo+
207	BS	boron sulfide	bs
208	BS^-	boron monosulfide anion	bs-
209	BS⁺	boron monosulfide cation	bs+
210	AlS	Aluminum sulfide	als
211	AlS^-	aluminum monosulfide anion	als-
212	AlS⁺	aluminum monosulfide cation	als+
213	BO⁺	boron monoxide cation	bo+
214	CS^-	carbon monosulfide anion	cs-
215	CS⁺	carbon monosulfide cation	cs+
216	SiO^-	silicon monoxide anion	sio-
217	SiO⁺	silicon monoxide cation	sio+
218	SiS^-	silicon monosulfide anion	sis-
219	SiS⁺	silicon monosulfide cation	sis+
220	CSe^-	Carbon monoselenide anion	cse-
221	CSe⁺	Carbon monoselenide cation	cse+
222	NS⁺	nitrogen sulfide cation	ns+
223	PO^-	phosphorus monoxide anion	po-
224	PO⁺	phosphorus monoxide cation	po+
225	PS^-	phosphorus monosulfide anion	ps-
226	PS⁺	phosphorus monosulfide cation	ps+
227	AsO	Arsenic monoxide	aso
228	SO^-	sulfur monoxide anion	so-
229	S₂^-	sulfur diatomic anion	s2-
230	S₂⁺	sulfur diatomic cation	s2+
231	SeO^-	selenium monoxide anion	seo-
232	SeO⁺	selenium monoxide cation	seo+
233	SeS	Selenium monosulfide	ses
234	SeS^-	selenium monosulfide anion	ses-
235	SeS⁺	selenium monosulfide cation	ses+
236	TeO	Tellurium monoxide	teo
237	Se₂^-	selenium diatomic anion	se2-
238	Se₂⁺	selenium diatomic cation	se2+
239	Te₂	Tellurium diatomic	te2
240	NaOH	sodium hydroxide	naoh
241	KOH	Potassium hydroxide	koh
242	MgOH	magnesium hydroxide	mgoh
243	CaOH	Calcium monohydroxide	caoh
244	HCS	Thioformyl radical	hcs
245	HCS^-	Thioformyl anion	hcs-
246	HCS⁺	Thioformyl cation	hcs+
247	HNO^-	Nitrosyl hydride anion	hno-
248	HNS	Sulfur imide	hns
249	HNS^-	Sulfur imide anion	hns-
250	HO₂^-	Hydroperoxy anion	ho2-
251	CH₃O	Methoxy radical	ch3o
252	CH₃S	thiomethoxy	ch3s
253	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
254	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
255	H₂ONH₃	Water Ammonia Dimer	h2onh3
256	LiCl^-	lithium chloride anion	licl-
257	LiCl⁺	lithium chloride cation	licl+
258	NaF^-	sodium fluoride anion	naf-
259	KF	Potassium Fluoride	kf
260	NaCl^-	sodium chloride anion	nacl-
261	NaCl⁺	sodium chloride cation	nacl+
262	KCl	Potassium Chloride	kcl
263	CuF	Copper monofluoride	cuf
264	LiBr^-	lithium bromide anion	libr-
265	LiBr⁺	lithium bromide cation	libr+
266	CuCl	Copper monochloride	cucl
267	NaBr	Sodium Bromide	nabr
268	NaBr^-	sodium bromide anion	nabr-
269	NaBr⁺	sodium bromide cation	nabr+
270	KBr	Potassium Bromide	kbr
271	LiI	Lithium Iodide	lii
272	NaI	Sodium Iodide	nai
273	KI	Potassium Iodide	ki
274	LiF^-	lithium fluoride anion	lif-
275	BeF	Beryllium monofluoride	bef
276	BeF⁺	Beryllium monofluoride cation	bef+
277	BeCl	beryllium monochloride	becl
278	MgF	Magnesium monofluoride	mgf
279	MgF^-	magnesium fluoride anion	mgf-
280	CaF	Calcium monofluoride	caf
281	MgCl	magnesium monochloride	mgcl
282	MgCl^-	magnesium monochloride anion	mgcl-
283	MgCl⁺	magnesium monochloride cation	mgcl+
284	CaCl	calcium monochloride	cacl
285	ZnF^-	Zinc monofluoride anion	znf-
286	ZnF⁺	Zinc monofluoride cation	znf+
287	ZnCl	Zinc monochloride	zncl
288	BeCl^-	beryllium monochloride anion	becl-
289	BeCl⁺	beryllium monochloride cation	becl+
290	BF^-	Boron monofluoride anion	bf-
291	BF⁺	Boron monofluoride cation	bf+
292	AlF^-	Aluminum monofluoride anion	alf-
293	AlF⁺	Aluminum monofluoride cation	alf+
294	BCl	boron monochloride	bcl
295	BCl^-	boron monochloride anion	bcl-
296	BCl⁺	boron monochloride cation	bcl+
297	AlCl^-	aluminum monochloride anion	alcl-
298	AlCl⁺	aluminum monochloride cation	alcl+
299	AlI	Aluminum monoiodide	ali
300	CF^-	carbon monofluoride anion	cf-
301	CF⁺	carbon monofluoride cation	cf+
302	CCl	carbon monochloride	ccl
303	CCl^-	carbon monochloride anion	ccl-
304	CCl⁺	carbon monochloride cation	ccl+
305	SiCl^-	silicon monochloride anion	sicl-
306	SiCl⁺	silicon monochloride cation	sicl+
307	NF	nitrogen fluoride	nf
308	NF^-	nitrogen monofluorine anion	nf-
309	NF⁺	nitrogen monofluoirde cation	nf+
310	NCl^-	nitrogen monochloride anion	ncl-
311	NCl⁺	nitrogen monochloride cation	ncl+
312	PF	phosphorus monofluoride	pf
313	PF^-	phosphorus monofluoride anion	pf-
314	PF⁺	phosphorus monofluoride cation	pf+
315	PCl	phosphorus chloride	pcl
316	PCl^-	phosphorus monochloride anion	pcl-
317	PCl⁺	phosphorus monochloride cation	pcl+
318	SbF	Antimony monofluoride	sbf
319	SbCl	Antimony monochloride	sbcl
320	FO^-	flourine oxide anion	fo-
321	FO⁺	fluorine monoxide cation	fo+
322	ClO^-	chlorine monoxide anion	clo-
323	SF^-	sulfur monofluoride anion	sf-
324	SCl^-	sulfur monochloride anion	scl-
325	IO	Iodine monoxide	io
326	ClF^-	clorine monofluoride anion	clf-
327	BrF^-	bromine fluoride anion	brf-
328	BrF⁺	bromine fluoride cation	brf+
329	BrCl^-	bromine chloride anion	brcl-
330	BrCl⁺	bromine chloride cation	brcl+
331	IF	Iodine monofluoride	if
332	ICl	Iodine monochloride	icl
333	IBr	Iodine monobromide	ibr
334	I₂	Iodine diatomic	i2
335	I₂⁺	Iodine diatomic cation	i2+
336	CHBr	bromomethylene	chbr
337	DOCl	Hypochlorous acid-d	docl
338	HOI	Hypoiodous acid	hoi
339	FHF	Hydrogen difluoride	fhf
340	FHF^-	Hydrogen difluoride anion	fhf-
341	NH₂F	monofluoroamine	nh2f
342	H₂F₂	Hydrogen fluoride dimer	h2f2
343	CH₃Cl⁺	Methyl chloride cation	ch3cl+
344	CH₃I	methyl iodide	ch3i
345	SiH₃I	Silyl Iodide	sih3i
346	Ne₂	Neon diatomic	ne2
347	C₃⁺	carbon trimer cation	c3+
348	C₃H₃	Propargyl radical	propargyl
349	C₃H₃^-	Propargyl anion	c3h3-
350	C₃H₃⁺	cyclopropenyl cation	cpr+
351	C₃H₃⁺	Propargyl cation	c3h3+
352	C₃H₅⁺	Allyl cation	allyl+
353	Zn(CH₃)₂	dimethyl zinc	dmz
354	C₃H₇⁺	cyclopropane, protonated	c3h7+
355	KCN	Potassium cyanide	kcn
356	CuCN	Copper cyanide	cucn
357	N₃^-	azide anion	n3-
358	HCNN	diazomethyl radical	hcnn
359	CH₂N₂	diazirine	ch2n2
360	CH₂NN	diazomethane	ch2nn
361	CH₃CN⁺	Acetonitrile cation	ch3cn+
362	NHCHNH₂	aminomethanimine	cn2h4
363	C₂H₅N	Aziridine	c2h5n
364	CH₂CHNH₂	aminoethene	aminoethene
365	CH₂NCH₃	N-methylmethanimine	nmm
366	CH₃CHNH	ethanimine	ethanimine
367	NH₂BHNH₂	diaminoborane	nh2bhnh2
368	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
369	Li₂O⁺	dilithium oxide cation	li2o+
370	CNO^-	fulminate	cno-
371	NCO^-	cyanate	nco-
372	SCN	thiocyanato radical	scn
373	SCN^-	thiocyanide anion	scn-
374	BO₂	Boron dioxide	bo2
375	BO₂^-	Boron dioxide anion	bo2-
376	BO₂⁺	Boron dioxide cation	bo2+
377	N₂O⁺	Nitrous oxide cation	n2o+
378	CO₂^-	Carbon dioxide anion	co2-
379	OCS⁺	Carbonyl sulfide cation	cos+
380	SiO₂	silicon dioxide	sio2
381	CS₂⁺	Carbon disulfide cation	cs2+
382	SCTe	Carbon sulfide Telluride	scte
383	NO₂^-	Nitrogen dioxide anion	no2-
384	PO₂	Phosphorus dioxide	po2
385	PO₂^-	Phosphorus dioxide anion	po2-
386	PO₂⁺	Phosphorus dioxide cation	po2+
387	O₃^-	Ozone anion	o3-
388	O₃⁺	Ozone cation	o3+
389	SO₂^-	Sulfur dioxide anion	so2-
390	SO₂⁺	Sulfur dioxide cation	so2+
391	S₃^-	Sulfur trimer anion	s3-
392	TeO₂	Tellurium Dioxide	teo2
393	CS₂H⁺	Carbon disulfide, protonated	cs2h+
394	HNCO	Isocyanic acid	hnco
395	HOCN	cyanic acid	hocn
396	HCO₂^-	formate anion	hco2-
397	HNNO	nitrosoazane	hnno
398	HOCO⁺	Hydrocarboxyl cation	hoco+
399	HNO₂	Nitrous acid	hno2
400	HNO₂⁺	nitrous acid cation	hno2+
401	CH₂CO⁺	Ketene cation	ch2co+
402	HCCOH	ethynol	hccoh
403	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
404	CH₂CHO	Vinyloxy radical	ch2cho
405	CH₃CO	Acetyl radical	ch3co
406	CH₃CO^-	Acetyl anion	ch3co-
407	CH₃CO⁺	acetyl cation	ch3co+
408	CH₂OOH	CH2OOH radical	ch2ooh
409	CH₃OO	methylperoxy radical	ch3oo
410	CH₃OO^-	methylperoxy anion	ch3oo-
411	CH₃OO⁺	methylperoxy cation	ch3oo+
412	CH₂CHOH	ethenol	ch2choh
413	CH₂CHSH	Ethenethiol	ch2chsh
414	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
415	CH₃OOH	Methyl peroxide	ch3ooh
416	H₂OH₂CO	water formaldehyde dimer	h2oh2co
417	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
418	CH₃CH₂O	Ethoxy radical	ethoxy
419	CH₃OCH₂	methoxymethyl radical	ch3och2
420	CH₃OHH₂O	methanol water dimer	ch3ohh2o
421	H₂OCH₃OH	water methanol dimer	h2och3oh
422	ZnF₂	Zinc difluoride	znf2
423	ICN	Cyanogen iodide	icn
424	MgCl₂	Magnesium dichloride	mgcl2
425	ZnCl₂	Zinc dichloride	zncl2
426	CaF₂	Calcium difluoride	caf2
427	BrNO	Nitrosyl bromide	brno
428	INO	Nitrosyl iodide	ino
429	CF₂^-	Difluoromethylene anion	cf2-
430	CF₂⁺	Difluoromethylene cation	cf2+
431	CCl₂	dichloromethylene	ccl2
432	CCl₂^-	dichloromethylene anion	ccl2-
433	CCl₂⁺	dichloromethylene cation	ccl2+
434	SiCl₂	Dichlorosilylene	sicl2
435	FOO	Dioxygen monofluoride radical	foo
436	ClOO	chloroperoxy radical	cloo
437	ClOO⁺	chloroperoxy cation	cloo+
438	OClO⁺	Chlorine dioxide cation	oclo+
439	ClS₂	Sulfur chloride	cls2
440	NF₂	Difluoroamino radical	nf2
441	NF₂⁺	Difluoroamino cation	nf2+
442	SF₂⁺	sulfur difluoride cation	sf2+
443	Cl₂O	Dichlorine monoxide	cl2o
444	BrOCl	Bromine hypochlorite	brocl
445	BrOBr	Bromine oxide	brobr
446	I₃^-	triiodide	i3-
447	HCCF⁺	fluoroacetylene cation	hccf+
448	COHCl	Formyl chloride	cohcl
449	COHBr	Formyl bromide	cohbr
450	BHF₂	Difluoroborane	bhf2
451	BHCl₂	Borane, dichloro-	bhcl2
452	HOClO	Chlorous acid	hoclo
453	CH₂FI	fluoroiodomethane	ch2fi
454	CH₂ClI	chloroiodomethane	ch2cli
455	CH₂BrI	bromoiodomethane	ch2bri
456	CH₂I₂	Diiodomethane	ch2i2
457	CH₂CHF⁺	fluoroethene cation	ch2chf+
458	C₂H₃I	Vinyl iodide	c2h3i
459	CH₃OCl	methyl hypochlorite	ch3ocl
460	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
461	C₂H₅I	Ethyl iodide	c2h5i
462	XeF₂	Xenon difluoride	xef2
463	C₄⁺	Carbon tetramer cation	c4+
464	H₂CCCCH₂	Butatriene	h2cccch2
465	C₄H₆	1-Methylcyclopropene	c3100047
466	CH₂CHCHCH₂	1,3-Butadiene	c106990
467	CH₃CCCH₃	2-Butyne	c503173
468	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
469	B(CH₃)₃	trimethylborane	bme3
470	Al(CH₃)₃	trimethyl aluminum	tma
471	C(CH₃)₃	Tert-butyl radical	tbutyl
472	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
473	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
474	SiH(CH₃)₃	trimethylsilane	trimsi
475	C₂N₂⁺	Cyanogen cation	c2n2+
476	P₄	Phosphorus tetramer	p4
477	CH₅N₃	Guanidine	guanidine
478	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
479	CH₆N₃⁺	guanidinium	ch6n3+
480	C₃H₇N	Azetidine	azet
481	C₂H₈N₂	Ethylenediamine	ethdiam
482	CH₃NHNHCH₃	dimethyl hydrazine	dmh
483	As(CH₃)₃	trimethyl arsine	tmas
484	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
485	Li₂O₂	dilithium dioxide	li2o2
486	Na₂O₂	disodium dioxide	na2o2
487	K₂O₂	dipotassium dioxide	k2o2
488	B₂O₂	Diboron dioxide	b2o2
489	CO₃	Carbon trioxide	co3
490	CO₃^--	carbonate	co3--
491	NO₃	Nitrogen trioxide	no3
492	SO₃^-	Sulfur trioxide anion	so3-
493	SO₃⁺	Sulfur trioxide cation	so3+
494	TeO₃	Tellurium trioxide	teo3
495	HCO₃^-	bicarbonate anion	hco3-
496	HSO₃	Hydroxysulfonyl radical	hso3
497	C₂H₂CO	cyclopropenone	c2h2co
498	HCCCHO	2-propynal	hcccho
499	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
500	H₂CO₃	Carbonic acid	h2co3
501	H₂CS₃	thiocarbonic acid	h2cs3
502	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
503	C₂H₃NO	Nitrosoethylene	c2h3no
504	CH₃COO^-	acetate anion	ch3coo-
505	H₃BO₃	Boric acid	h3bo3
506	H₃CO₃⁺	carbonic acid, protonated	h3co3+
507	C₃H₄O	2-Propyn-1-ol	c107197
508	C₃H₄O	allenol	c9000071
509	C₃H₄O	Methylketene	c6004440
510	NH₂CONH₂⁺	Urea cation	urea+
511	NH₂CSNH₂	Thiourea	thiourea
512	C₂H₄O₂	1,3-dioxetane	c2h4o2
513	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
514	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
515	HCOOHH₂O	Formic acid water dimer	hcoohh2o
516	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
517	C₂H₅OO	ethylperoxy radical	c2h5oo
518	CH₃COCH₃	Acetone	acetone
519	C₂H₆O₂	1,2-Ethanediol	ethdiol
520	CH₃OOCH₃	dimethylperoxide	dmp
521	CH₃SOCH₃	Dimethyl sulfoxide	dmso
522	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
523	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
524	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
525	C₃H₇SH	1-Propanethiol	prsh
526	CH₃CHSHCH₃	2-Propanethiol	isoprsh
527	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
528	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
529	Na₂F₂	Sodium Fluoride Dimer	na2f2
530	Na₂Cl₂	Disodium dichloride	na2cl2
531	C₂F₂	difluoroacetylene	c2f2
532	C₂Cl₂	dichloroacetylene	c2cl2
533	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
534	BrONO	Bromine nitrite	brono
535	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
536	COFCl	Carbonic chloride fluoride	cofcl
537	COBr₂	Carbonic dibromide	cobr2
538	BF₃^-	Borane, trifluoro- anion	bf3-
539	AlF₂Cl	Aluminum chloride difluoride	alclf2
540	AlFCl₂	Aluminum dichloride fluoride	alcl2f
541	AlCl₃	Aluminum trichloride	alcl3
542	AlBr₃	Aluminum Bromide	albr3
543	ClO₃	Chlorine trioxide	clo3
544	ClO₃^-	chlorate anion	clo3-
545	BrO₃^-	Bromate anion	bro3-
546	CF₃	Trifluoromethyl radical	cf3
547	CCl₃	Trichloromethyl radical	ccl3
548	CCl₃^-	Trichloromethyl anion	ccl3-
549	CCl₃⁺	Trichloromethyl cation	ccl3+
550	SiCl₃	trichlorosilyl radical	sicl3
551	SiCl₃⁺	trichlorosilyl cation	sicl3+
552	FSSF	Difluorodisulfane	fssf
553	SeOCl₂	selenium oxychloride	seocl2
554	NF₃^-	Nitrogen trifluoride anion	nf3-
555	NF₃⁺	Nitrogen trifluoride cation	nf3+
556	SbF₃	Antimony Trifluoride	sbf3
557	SbCl₃	Antimony Trichloride	sbcl3
558	AsBr₃	Arsenic tribromide	asbr3
559	NI₃	Nitrogen triiodide	ni3
560	PI₃	Phosphorus triiodide	pi3
561	ClSSCl	Disulfur dichloride	s2cl2
562	BrF₃	Bromine trifluoride	brf3
563	IF₃	iodone trifluoride	if3
564	CHF₂Cl	difluorochloromethane	chf2cl
565	CHF₂I	difluoroiodomethane	chf2i
566	CHFClI	fluorochloroiodomethane	chfcli
567	CHCl₂I	dichloroiodomethane	chcl2i
568	CHClBr₂	Methane, dibromochloro-	chclbr2
569	CHI₃	Iodoform	chi3
570	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
571	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
572	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
573	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
574	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
575	CH₂ClCHO	chloroacetaldehyde	ch2clcho
576	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
577	CH₂CFCH₃	2-fluoropropene	2fpro
578	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
579	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
580	CH₃CH₂CH₂Br	n-propyl bromide	prbr
581	CH₃CHBrCH₃	i-propyl bromide	iprbr
582	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
583	C₅H₅^-	cylopentadienyl anion	c5h5-
584	C₅H₆	1,3-Cyclopentadiene	c542927
585	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
586	C₅H₆	3-Penten-1-yne, (E)-	c2004695
587	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
588	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
589	C₅H₆	Cyclopropylacetylene	c6746947
590	C₅H₇	1,3-pentadienyl radical	pdyl
591	C₅H₇	cyclopentenyl radical	cpyl
592	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
593	C₅H₈	1,2-Pentadiene	c591957
594	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
595	C₅H₈	1,3-Pentadiene, (E)-	c2004708
596	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
597	C₅H₈	1,4-Pentadiene	c591935
598	C₅H₈	1-pentyne	a1pentyne
599	C₅H₈	2,3-Pentadiene	c591968
600	C₅H₈	Cyclobutane, methylene-	c1120565
601	C₅H₈	Cyclopentene	c142290
602	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
603	C₅H₁₀	1-Butene, 2-methyl-	c563462
604	C₅H₁₀	2-Butene, 2-methyl-	c513359
605	C₅H₁₀	2-Pentene, (E)-	c646048
606	C₅H₁₀	2-Pentene, (Z)-	c627203
607	C₅H₁₀	Cyclopentane	c287923
608	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
609	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
610	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
611	C₅H₁₂	Butane, 2-methyl-	buta2
612	C₅H₁₂	Pentane	pentane
613	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
614	Si(CH₃)₄	tetramethylsilane	tms
615	N₂O₃	Dinitrogen trioxide	n2o3
616	C₃H₂N₂	Malononitrile	c3h2n2
617	C₂H₃N₃	1H-1,2,4-Triazole	c288880
618	C₃H₄N₂	1H-Pyrazole	1hpyraz
619	C₄H₅N	(E)-2-Butenenitrile	c627269
620	C₄H₅N	(Z)-2-Butenenitrile	c1190767
621	C₄H₅N	2H-pyrrole	pyrrole2
622	C₄H₅N	3H-pyrrole	pyrrole3
623	C₄H₅N	Cyclopropanecarbonitrile	c5500210
624	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
625	C₃H₆N₂	3-Aminopropionitrile	c151188
626	C₅H₈	Bicyclo[2.1.0]pentane	c185944
627	C₅H₈	Spiropentane	c157404
628	C₄H₉N	Cyclobutylamine	cbam
629	C₄H₉N	Pyrrolidine	pyrrolidine
630	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
631	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
632	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
633	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
634	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
635	C₃O₂⁺	Carbon suboxide cation	c3o2+
636	CaCO₃	Calcium Carbonate	caco3
637	PO₄^---	phosphate	po4---
638	SO₄^--	sulfate	so4--
639	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
640	CHOCOOH	oxo acetic acid	oaa
641	H₂SO₄	Sulfuric acid	h2so4
642	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
643	CH₃NO₃	Methyl nitrate	ch3no3
644	H₃PO₄	Phosphoric Acid	h3po4
645	C₄H₄O	Furan	furan
646	C₄H₄O⁺	Furan cation	furan+
647	C₄H₄S	Thiophene	furans
648	C₃H₄O₂	β–Propiolactone	beta
649	C₃H₄O₂	2-Propenoic acid	propenoic2
650	C₃H₄O₂	propanedial	propanedial
651	C₃H₄O₂	propenalol	propenalol
652	C₂H₄O₃	trioxolane124	triox
653	HOCH₂COOH	Hydroxyacetic acid	hac
654	CH₂CHCONH₂	Acrylamide	c79061
655	CH₅N₃S	Hydrazinecarbothioamide	c79196
656	H₂NCH₂COOH	Glycine	glycine
657	C₄H₆O	cis-2-butenal	butenal2c
658	C₄H₆O	Cyclobutanone	cbutone
659	C₄H₆O	Furan, 2,3-dihydro-	furan23h
660	C₄H₆O	Furan, 2,5-dihydro-	furan25h
661	CHOCHCHCH₃	2-Butenal	butenal2
662	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
663	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
664	C₂H₆N₂O	Urea, methyl-	c598505
665	C₃H₆O₂	1,3-Dioxolane	dioxolane
666	CH₃CH₂COOH	Propanoic Acid	propanoic
667	CH₃COOCH₃	methyl acetate	aame
668	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
669	C₃H₇NO	dimethylformamide	dmf
670	C₃H₇NO	Propanamide	propanam
671	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
672	C₄H₈O	Cyclobutanol	c2919235
673	C₄H₈O	Furan, tetrahydro-	thf
674	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
675	CH₃COCH₂CH₃	2-Butanone	buta2one
676	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
677	CHOCH₂CH₂CH₃	Butanal	butanal
678	C₃H₈O₂	1,3-Propanediol	c504632
679	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
680	C₃H₈O₂	Methane, dimethoxy-	c109875
681	C₃H₈O₂	Propylene glycol	c57556
682	C₃H₈S₂	1,3-Propanedithiol	c109808
683	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
684	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
685	C₄H₁₀O	Ethoxy ethane	etoet
686	C₄H₁₀O	Propane, 2-methoxy-	c598538
687	C₄H₁₀O⁺	1-Butanol cation	butanol1+
688	C₂H₅SC₂H₅	Diethyl sulfide	etset
689	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
690	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
691	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
692	FNO₃	Fluorine nitrate	fno3
693	ClONO₂	Chlorine nitrate	clono2
694	TiCl₄	Titanium tetrachloride	ticl4
695	ClO₄^-	perchlorate anion	clo4-
696	BF₄^-	tetrafluoroboron anion	bf4-
697	ClFO₃	Perchloryl fluoride	clfo3
698	SO₂Cl₂	Sulfuryl chloride	so2cl2
699	F₃NO	Nitrogen trifluoride oxide	f3no
700	F₃PO	Phosphoryl fluoride	pf3o
701	Cl₃PO	Phosphoryl chloride	pcl3o
702	CF₄	Carbon tetrafluoride	cf4
703	SiF₄	Silicon tetrafluoride	sif4
704	CFCl₃	Trichloromonofluoromethane	cfcl3
705	CCl₄	Carbon tetrachloride	ccl4
706	CCl₄⁺	Carbon tetrachloride cation	ccl4+
707	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
708	SiCl₄	Silane, tetrachloro-	sicl4
709	CF₃I	trifluoroiodomethane	cf3i
710	CBrCl₃	Methane, bromotrichloro-	cbrcl3
711	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
712	GeCl₄	Germanium Tetrachloride	gecl4
713	CCl₃I	trichloroiodomethane	ccl3i
714	CFClBrI	fluorochlorobromoiodomethane	cfclbri
715	CF₂I₂	difluorodiiodomethane	cf2i2
716	CCl₂I₂	dichlorodiiodomethane	ccl2i2
717	CBr₃I	tribromoiododmethane	cbr3i
718	GeBr₄	Germanium tetrabromide	gebr4
719	CI₄	tetraiodomethane	ci4
720	SiI₄	silicon tetraiodide	sii4
721	C₂HF₃	Trifluoroethylene	c2hf3
722	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
723	CHClCCl₂	Trichloroethylene	chclccl2
724	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
725	HClO₄	perchloric acid	hclo4
726	HSO₃F	Fluorosulfonic acid	hso3f
727	CHClCCHCl	1,3-dichloroallene	chclcchcl
728	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
729	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
730	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
731	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
732	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
733	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
734	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
735	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
736	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
737	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
738	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
739	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
740	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
741	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
742	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
743	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
744	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
745	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
746	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
747	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
748	C₄H₉F	1-fluorobutane	butaf1
749	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
750	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
751	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
752	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
753	XeF₄	Xenon tetrafluoride	xef4
754	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
755	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
756	C₆H₄	Benzyne	benzyne
757	C₆H₅	phenyl	phenyl
758	C₆H₆	2,4-Hexadiyne	hexadiyne
759	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
760	C₆H₆	Benzene	benzene
761	C₆H₆	Benzvalene	bv
762	C₆H₆⁺	Benzene cation	c6h6+
763	C₆H₈	(E)-hexa-1,3,5-triene	c821078
764	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
765	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
766	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
767	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
768	C₆H₈	3-Methylenecyclopentene	c930267
769	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
770	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
771	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
772	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
773	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
774	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
775	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
776	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
777	C₆H₁₀	1-Hexyne	hexyne1
778	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
779	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
780	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
781	C₆H₁₀	2-Hexyne	c764352
782	C₆H₁₀	cyclohexene	cyclohexene
783	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
784	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
785	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
786	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
787	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
788	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
789	C₆H₁₂	(E)-2-Hexene	e2hexene
790	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
791	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
792	C₆H₁₂	(Z)-hex-2-ene	z2hexene
793	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
794	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
795	C₆H₁₂	3-methylenepentane	c760214
796	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
797	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
798	C₆H₁₂	Cyclohexane	cyclohexane
799	C₆H₁₂	Cyclopentane, methyl-	c96377
800	C₆H₁₂	Ethylcyclobutane	c4806615
801	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
802	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
803	C₆H₁₄	Hexane	hexane
804	C₆H₁₄	Pentane, 2-methyl-	penta2
805	C₆H₁₄	Pentane, 3-methyl-	penta3
806	C₄N₂	2-Butynedinitrile	c4n2
807	C₂H₂N₄	sym-tetrazine	ttz
808	C₃H₃N₃	1,3,5-Triazine	triazine135
809	CH₃N₅	5-Aminotetrazole	c4418615
810	C₄H₄N₂	1,3-Diazine	diazine13
811	C₄H₄N₂	Pyrazine	pyrazine
812	C₄H₄N₂	Pyridazine	pyridazine
813	C₄H₄N₂	Succinonitrile	c110612
814	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
815	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
816	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
817	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
818	C₅H₅N	E-2,4-pentadienenitrile	bdcn
819	C₅H₅N	Pyridine	pyridine
820	B₃N₃H₆	borazine	borazine
821	C₆H₆	Fulvene	fulvene
822	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
823	C₅H₇N	(E)-2-Pentenenitrile	c26294984
824	C₅H₇N	(E)-3-Pentenenitrile	c16529661
825	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
826	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
827	C₅H₇N	Cyclobutanecarbonitrile	c4426113
828	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
829	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
830	C₅H₉N	Pentanenitrile	c110598
831	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
832	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
833	C₅H₁₁N	Cyclopentanamine	cypentam
834	C₅H₁₁N	Piperidine	piper
835	C₄H₁₂N₂	1,2-Butanediamine	c4426486
836	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
837	Li₂CO₃	Lithium Carbonate	li2co3
838	C₂O₄^--	oxalate anion	c2o4
839	N₂O₄	Dinitrogen tetroxide	n2o4
840	C₂H₃NO₃	Oxamic acid	oxamic
841	C₄H₄O₂	2(5H)-Furanone	furanone
842	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
843	C₂H₄N₂O₂	Oxalamide	oxalamide
844	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
845	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
846	C₂H₄O₄	Formic acid dimer	fadimer
847	C₄H₅NO	3-Methylisoxazole	isox3m
848	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
849	C₄H₅NS	4-Methylthiazole	c693958
850	C₅H₆O	2-methylfuran	furan2m
851	C₅H₆O	3-Methylfuran	furan3m
852	C₅H₆S	Thiophene, 2-methyl-	c554143
853	C₅H₆S	Thiophene, 3-methyl-	c616444
854	C₄H₆O₂	2,3-Butanedione	c431038
855	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
856	C₄H₆O₂	Crotonic Acid	crot
857	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
858	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
859	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
860	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
861	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
862	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
863	C₄H₆OS	Vinyl sulfoxide	c1115157
864	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
865	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
866	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
867	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
868	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
869	C₄H₇NO	2-Pyrrolidinone	c616455
870	C₄H₇NO	Methacrylamide	c79390
871	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
872	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
873	C₃H₇ONO	Propyl nitrite	prono
874	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
875	CH₃CH(NH₂)COOH	Alanine	alanine
876	CH₃NHCH₂COOH	Sarcosine	sarcosine
877	NH₂CH₂CH₂COOH	β–alanine	betaalanine
878	NH₂COOC₂H₅	Urethane	urethane
879	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
880	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
881	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
882	NH₂CONHC₂H₅	Urea, ethyl-	c625525
883	C₄H₈O₂	1,3-Dioxane	dioxan13
884	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
885	C₄H₈O₂	1,4-Dioxane	dioxan14
886	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
887	C₄H₈OS	s-Ethyl thioacetate	c625605
888	C₃H₈O₃	1,2,3-Propanetriol	glycerin
889	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
890	C₄H₉NO	Butanamide	c541355
891	C₄H₉NO	Propanamide, 2-methyl-	c563837
892	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
893	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
894	C₅H₁₀O	2-Pentanone	mpk
895	C₅H₁₀O	Cyclopentanol	c96413
896	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
897	C₅H₁₀O	Pentanal	pal
898	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
899	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
900	C₅H₁₀S	Cyclopentanethiol	c1679078
901	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
902	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
903	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
904	C₄H₁₀O₂	1,3-Butanediol	budiol13
905	C₄H₁₀O₂	1,4-Butanediol	budiol14
906	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
907	C₄H₁₀OS	Diethyl sulfoxide	c70291
908	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
909	C₄H₁₁NO	Diethylhydroxylamine	c3710847
910	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
911	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
912	C₅H₁₂O	1-Pentanol	pentanol1
913	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
914	C₅H₁₂O	2-Pentanol	peol2
915	C₅H₁₂O	3-Pentanol	pentan3ol
916	C₅H₁₂O	Butane, 1-methoxy-	meobu
917	C₅H₁₂O	Propane, 1-ethoxy-	proet
918	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
919	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
920	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
921	C₅H₁₂S	1-Pentanethiol	c110667
922	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
923	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
924	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
925	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
926	C₅H₁₂S	Ethyl propyl sulfide	c4110503
927	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
928	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
929	CF₃CN	Acetonitrile, trifluoro-	cf3cn
930	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
931	B₂F₄	Diboron tetrafluoride	b2f4
932	C₂F₄	Tetrafluoroethylene	c2f4
933	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
934	C₂FCl₃	fluorotrichloroethene	c2fcl3
935	C₂Cl₄	Tetrachloroethylene	c2cl4
936	AsF₅	Arsenic pentafluoride	asf5
937	PCl₅	Phosphorus pentachloride	pcl5
938	SbCl₅	Antimony pentachloride	sbcl5
939	BrF₅	bromine pentafluoride	brf5
940	ClF₅	chlorinepentafluoride	clf5
941	IF₅	pentafluoroiodine	if5
942	CF₃CHO	trifluoroacetaldehyde	cf3cho
943	CCl₃CHO	trichloroacetaldehyde	ccl3cho
944	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
945	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
946	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
947	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
948	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
949	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
950	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
951	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
952	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
953	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
954	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
955	C₆H₅CH₂	benzyl radical	benzyl
956	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
957	C₆H₅CH₃	toluene	toluene
958	C₇H₈	cycloheptatriene	cht
959	C₇H₈	Norbornadiene	norbor
960	C₇H₈	Quadricyclane	qucy
961	C₇H₁₄	cycloheptane	c7h14
962	C₇H₁₆	2-methylhexane	2mhex
963	C₇H₁₆	3-methylhexane	hex3m
964	C₇H₁₆	heptane	heptane
965	C₆H₇N	2-Methylpyridine	mp
966	C₆H₅NH₂	aniline	aniline
967	C₆H₁₃N	2-Methylpiperidine	pip2m
968	C₆H₁₃N	cyclohexanamine	cham
969	C₆H₁₅N	triethylamine	tea
970	N₂O₅	Dinitrogen pentoxide	n2o5
971	C₄H₂O₃	Maleic Anhydride	malan
972	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
973	C₅H₄O₂	furfural	furfural
974	C₆H₅O	phenoxy radical	phenoxy
975	C₅H₅NO	2(1H)-Pyridinone	c72762006
976	C₅H₅NO	2(3H)-Pyridinone	c9000048
977	C₅H₅NO	2(5H)-Pyridinone	c9000037
978	C₅H₅NO	2-Pyridinol	c109104
979	C₅H₅NO	3(2H)-Pyridinone	c9000004
980	C₅H₅NO	3(4H)-Pyridinone	c9000026
981	C₅H₅NO	3(6H)-Pyridinone	c9000015
982	C₅H₅NO	3-Pyridinol	c109002
983	C₅H₅NO	4(1H)-Pryidinone	c9000060
984	C₅H₅NO	4(3H)-Pryidinone	c9000059
985	C₅H₅NO	4-Pyridinol	c626642
986	C₆H₅OH	phenol	phenol
987	C₆H₆O	2,4-Cyclohexadienone	c24599573
988	C₆H₅SH	Benzenethiol	phsh
989	C₄H₈O₂S	Sulfolane	sulfolane
990	CH(C₂H₃)₃	trivinyl methane	tvm
991	C₆H₁₀O	cyclohexanone	chexo
992	C₆H₁₂O	hexanal	c6h12o
993	C₃H₇OC₃H₇	di-n-propyl ether	propr
994	CF₃COCl	trifluoroacetyl chloride	cf3cocl
995	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
996	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
997	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
998	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
999	C₆H₅F	Fluorobenzene	bzf
1000	C₆H₅Cl	chlorobenzene	bzcl
1001	C₆H₅Br	bromobenzene	bzbr
1002	C₆H₅CCH	phenylacetylene	phac
1003	C₆H₅CHCH₂	Styrene	styrene
1004	C₈H₈	cubane	cubane
1005	C₈H₈	cyclooctatetraene	cot
1006	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1007	CH₃C₆H₄CH₃	meta-xylene	mxylene
1008	CH₃C₆H₄CH₃	paraxylene	pxylene
1009	C₈H₁₆	cyclooctane	cyclooct
1010	C₈H₁₈	Octane	c8h18
1011	C₆H₅CN	phenyl cyanide	phcn
1012	C₄O₄^--	squarate dianion	c4o4--
1013	S₈	Octasulfur	s8
1014	C₆H₄O₂	parabenzoquinone	pbq
1015	C₄H₄N₂O₂	Uracil	uracil
1016	C₆H₅OCH₃	Anisole	anisole
1017	C₆H₁₂O₂	Methyl pivalate	c598981
1018	C₆H₁₂O₂	Hexanoic acid	hexa
1019	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1020	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1021	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1022	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1023	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1024	C₂F₆	hexafluoroethane	c2f6
1025	C₂Cl₆	hexachloroethane	c2cl6
1026	IF₇	Iodine heptafluoride	if7
1027	C₆H₄F₂	metadifluorobenzene	mdfb
1028	C₆H₄F₂	orthodifluorobenzene	odfb
1029	C₆H₄F₂	1,4-difluorobenzene	pdfb
1030	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1031	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1032	C₉H₁₂	n-propyl benzene	prbz
1033	C₅H₄N₄	purine	purine
1034	C₈H₇N	Indole	indole
1035	C₃H₃N₃O₃	cyanuric acid	cyanuric
1036	C₆H₅NO₂	Nitrobenzene	c6h5no2
1037	C₆H₅COOH	benzoic acid	benzo
1038	CH₃COC₆H₅	acetophenone	acph
1039	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1040	C₁₀H₁₆	adamantane	adamantane
1041	C₆N₄	Tetracyanoethylene	tcne
1042	C₆N₄^-	tetracyanoethylene anion	tcne-
1043	C₁₀H₂₂	Decane	decane
1044	C₄F₆	perfluorobutadiene	c4f6
1045	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1046	C₃F₈	perfluoropropane	c3f8
1047	Fe(CO)₅	Iron pentacarbonyl	ipc
1048	Fe(C₅H₅)₂	ferrocene	fecp2
1049	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1050	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1051	C₁₂H₈	Acenaphthylene	acenaph
1052	C₁₂H₁₀	biphenyl	biphenyl
1053	C₁₂H₁₀	Heptalene	heptalene
1054	C₆H₁₂O₆	Inositol	inositol
1055	C₆F₆	hexafluorobenzene	c6f6
1056	C₁₃H₁₀	Fluorene	fluorene
1057	C₁₄H₁₀	Anthracene	anth
1058	C₁₄H₁₀	Phenanthrene	phenanthrene
1059	C₁₄H₁₄	Bibenzyl	bibenzyl
1060	C₁₆H₁₀	Pyrene	pyrene
1061	C₁₈H₁₂	Tetracene	tetracene
1062	C₁₉H₁₆	Triphenylmethane	tpm
1063	C₂₄H₁₂	Coronene	coronene
1064	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