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

List of which calculations are completed at B3LYPultrafine /cc-pVDZ

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	Li⁺	Lithium atom cation	¹S	K_h
15	Na	Sodium atom	²S	K_h
16	Na⁺	Sodium atom cation	¹S	K_h
17	LiH	Lithium Hydride	¹Σ	C_∞v
18	LiH⁺	lithium hydride cation	²Σ	C_∞v
19	NaH	sodium hydride	¹Σ	C_∞v
20	NaH⁺	sodium hydride cation	²Σ	C_∞v
21	Be	Beryllium atom	¹S	K_h
22	Be⁺	Beryllium atom cation	²S	K_h
23	Mg	Magnesium atom	¹S	K_h
24	Mg⁺	Magnesium atom cation	²S	K_h
25	BeH	beryllium monohydride	²Σ	C_∞v
26	MgH	magnesium monohydride	²Σ	C_∞v
27	CaH	Calcium monohydride	²Σ	C_∞v
28	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
29	TiH	Titanium monohydride	⁴Φ	C_∞v
30	ZnH⁺	Zinc, protonated
31	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
32	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
33	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
34	BeH₂⁺	Beryllium dihydride cation
35	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
36	B	Boron atom	²P	K_h
37	B	Boron atom	⁴P	K_h
38	B⁺	Boron atom cation	¹S	K_h
39	Al	Aluminum atom	²P	K_h
40	Al^-	Aluminum atom anion	³P	K_h
41	Al⁺	Aluminum atom cation	¹S	K_h
42	Sc	Scandium atom	²D	K_h
43	Sc⁺	Scandium cation	³D	K_h
44	Ga	Gallium atom	²P
45	Ga^-	Gallium atom anion	³P	O_h
46	Ga⁺	Gallium atom cation	¹S
47	BH	Boron monohydride	¹Σ	C_∞v
48	BH	Boron monohydride	³Π	C_∞v
49	BH^-	boron monohydride anion	⁴Σ	C_∞v
50	ScH	Scandium monohydride	¹Σ	C_∞v
51	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
52	GaH	Gallium monohydride	¹Σ	C_∞v
53	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
54	BH₂^-	boron dihydride anion	³B₁	C_2v
55	BH₂^-	boron dihydride anion	¹A₁	C_2v
56	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
57	BH₃	boron trihydride	¹A₁^'	D_3h
58	BH₃⁺	boron trihydride cation	²B₂	C_2v
59	BH₃⁺	boron trihydride cation		C_2v
60	AlH₃	aluminum trihydride	¹A₁^'	D_3h
61	AlH₃^-	aluminum trihydride anion		C_3v
62	ScH₃	Scandium trihydride	¹A₁^'	D_3h
63	ScH₃	Scandium trihydride	¹A₁	C_3v
64	GaH₃	Gallium trihydride	¹A₁^'	D_3h
65	BH₄	borohydride	²B₂	C_2v
66	BH₄^-	borohydride anion	¹A₁	T_d
67	C	Carbon atom	³P₀	K_h
68	C	Carbon atom	³P₁	K_h
69	C^-	Carbon atom anion	²D	K_h
70	C⁺	Carbon atom cation	²P	K_h
71	Si	Silicon atom	³P	K_h
72	Si	Silicon atom	¹S	K_h
73	Si^-	Silicon atom anion	⁴S	K_h
74	Si⁺	Silicon atom cation	²P	K_h
75	Ge	Germanium atom	³P	K_h
76	Ge^-	Germanium anion	⁴S	K_h
77	Ge⁺	Germanium cation	²P	K_h
78	CH	Methylidyne	²Π_1/2	C_∞v
79	SiH	Silylidyne	²Π	C_∞v
80	SiH^-	silicon monohydride anion	³Σ	C_∞v
81	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
82	GeH	germylidene	²Π	C_∞v
83	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
84	CH₂	Methylene	³B₁	C_2v
85	CH₂	Methylene	³Σ_G	D_∞h
86	CH₂	Methylene	¹A₁	C_2v
87	CH₂^-	methylene anion	²B₁	C_2v
88	CH₂⁺	methylene cation	²A₁	C_2v
89	CH₂⁺	methylene cation	²Π	D_∞h
90	SiH₂	silicon dihydride	¹A₁	C_2v
91	SiH₂	silicon dihydride	³B₁	C_2v
92	GeH₂	germylene	¹A₁	C_2v
93	GeH₂^-	germylene anion	²B₁	C_2v
94	CH₃	Methyl radical	²A₁	D_3h
95	CH₃^-	methyl anion	¹A₁	C_3v
96	CH₃⁺	methyl cation	¹A₁^'	D_3h
97	SiH₃	Silyl radical	²A₁	C_3v
98	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
99	GeH₃	Germyl radical	²A₁	C_3v
100	GeH₃⁺	germyl cation	¹A₁^'	D_3h
101	CD₄	methane-d4	¹A₁	T_d
102	CH₂D₂	methane-d2	¹A₁	C_2v
103	CH₃D	methane-d	¹A₁	C_3v
104	CH₄	Methane	¹A₁	T_d
105	CH₄^-	Methane anion	²A₁	T_d
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 cation	³P	K_h
113	P	Phosphorus atom	⁴S	K_h
114	V	Vanadium atom	⁴F	K_h
115	V⁺	Vanadium atom cation	⁵D	K_h
116	As	Arsenic atomic	⁴S	K_h
117	As^-	Arsenic anion	³P	K_h
118	As⁺	Arsenic cation	³P	K_h
119	PH	phosphorus monohydride	³Σ^-	C_∞v
120	AsH	Arsenic monohydride	³Σ	C_∞v
121	AsH	Arsenic monohydride	¹Σ	C_∞v
122	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
123	NH₂	Amino radical	²B₁	C_2v
124	NH₂⁺	Amino cation	³B₁	C_2v
125	NH₂⁺	Amino cation	¹A₁	C_2v
126	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
127	NH₃	Ammonia	¹A₁	C_3v
128	NH₃^-	Ammonia anion	²A₁	C_3v
129	NH₃⁺	ammonia cation	²A₂^"	D_3h
130	PH₃	Phosphine	¹A₁	C_3v
131	PH₃⁺	Phosphine cation	²A₁	C_3v
132	AsH₃	Arsine	¹A₁	C_3v
133	AsH₃⁺	Arsine cation	²A₁	C_3v
134	AsH₄⁺	Arsonium
135	NH₄	Ammonium radical
136	NH₄⁺	ammonium cation	¹A₁	T_d
137	PH₄	Phosphoranyl radical
138	PH₄⁺	phosphonium cation
139	O	Oxygen atom	³S	K_h
140	O⁺	Oxygen atom cation	⁴S	K_h
141	S	Sulfur atom	³P	K_h
142	S	Sulfur atom
143	S^-	Sulfur atom anion	²P	K_h
144	S⁺	Sulfur atom cation	⁴S	K_h
145	Se	Selenium atom	³P	K_h
146	Se^-	Selenium atom anion	²P	K_h
147	Se⁺	Selenium atom cation	⁴S	K_h
148	OH	Hydroxyl radical	²Π	C_∞v
149	OH^-	hydroxide anion	¹Σ	C_∞v
150	OH⁺	hydoxyl cation	³Σ	C_∞v
151	HS	Mercapto radical	²Π	C_∞v
152	HS^-	mercapto anion	¹Σ	C_∞v
153	HS⁺	sulfur monohydride cation	³Σ	C_∞v
154	CrH	Chromium hydride	⁶Σ	C_∞v
155	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
156	HSe	Selenium monohydride	²Π	C_∞v
157	HSe^-	selenium monohydride anion	¹Σ	C_∞v
158	HSe⁺	selenium monohydride cation	³Σ	C_∞v
159	H₂O	Water	¹A₁	C_2v
160	H₂O^-	water anion	²A₁	C_2v
161	H₂O^-	water anion	²A^'	C_s
162	H₂O⁺	water cation	²B₁	C_2v
163	HDO	Water-d1	¹A₁	C_2v
164	H₂S	Hydrogen sulfide	¹A₁	C_2v
165	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
166	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
167	H₂Se	Hydrogen selenide	¹A₁	C_2v
168	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
169	H₃O⁺	hydronium cation	¹A₁	C_3v
170	H₃S⁺	Sulfonium cation	¹A₁	C_3v
171	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
172	F	Fluorine atom	²P	K_h
173	F^-	Fluorine atom anion	¹S	K_h
174	F⁺	Fluorine atom cation	³S	K_h
175	F⁺	Fluorine atom cation	¹D	K_h
176	Cl	Chlorine atom	²P	K_h
177	Cl^-	Chlorine atom anion	¹S	K_h
178	Cl⁺	Chlorine atom cation	³P	K_h
179	Cl⁺	Chlorine atom cation	¹D	K_h
180	Br	Bromine atom	²P	K_h
181	Br^-	Bromine atom anion	¹S	K_h
182	Br⁺	Bromine atom cation	³P	K_h
183	HF	Hydrogen fluoride	¹Σ	C_∞v
184	HF^-	hydrogen fluoride anion	²Σ	C_∞v
185	HF⁺	hydrogen fluoride cation	²Π	C_∞v
186	HCl	Hydrogen chloride	¹Σ	C_∞v
187	HCl^-	hydrogen chloride anion	²Σ	C_∞v
188	HCl⁺	hydrogen chloride cation	²Π	C_∞v
189	HBr	hydrogen bromide	¹Σ	C_∞v
190	HBr^-	hydrogen bromide anion	²Σ	C_∞v
191	HBr⁺	hydrogen bromide cation	²Π	C_∞v
192	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
193	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
194	Ne	Neon atom	¹S	K_h
195	Ne	Neon atom
196	Ne⁺	Neon atom cation	²P	K_h
197	Ar	Argon atom	¹S	K_h
198	Kr	Krypton atom	¹S	K_h
199	Kr⁺	Krypton cation	²P	K_h
200	HeLi⁺	Helium Lithium cation
201	NeH	neon hydrogen	²Σ	C_∞v
202	ArH⁺	Argon hydride cation	¹Σ	C_∞v
203	KrH⁺	Protonated Krypton	¹Σ	C_∞v
204	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
205	Li₂	Lithium diatomic	¹Σ_g	D_∞v
206	NaLi	lithium sodium	¹Σ	C_∞v
207	Na₂	Sodium diatomic	¹Σ_g	D_∞h
208	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
209	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
210	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
211	Be₂	Beryllium diatomic	³Π_g	D_∞h
212	BeMg	Beryllium Magnesium	¹Σ	C_∞v
213	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
214	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
215	LiB	Lithium boride	³Π	C_∞v
216	LiAl	Lithium Aluminum
217	NaAl	Sodium aluminum	¹Σ	C_∞v
218	BeB	Beryllium monoboride	²Π	C_∞v
219	B₂	Boron diatomic	³Σ_g	D_∞h
220	B₂	Boron diatomic	¹Σ_g	D_∞h
221	B₂	Boron diatomic	⁵Σ_u	D_∞h
222	B₂⁺	Boron diatomic cation	²Π	D_∞h
223	BAl	Boron Aluminum	³Σ	C_∞v
224	BGa	Boron Gallium	³Σ	C_∞v
225	AlGa	Aluminum Gallium	³Σ	C_∞v
226	AlGa	Aluminum Gallium	¹Σ	C_∞v
227	Ga₂	Gallium diatomic	³P_iu
228	HBBH	Diborane(2)	³Σ_G	D_∞h
229	LiBH₄	Lithium borohydride	¹A₁	C_3v
230	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
231	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
232	B₂H₆	Diborane	¹A_g	D_2h
233	B₂H₆⁺	Diborane cation
234	Al₂H₆	dialane	¹A_G	D_2h
235	Ga₂H₆	digallane	¹A_G	D_2h
236	LiC	Lithium Carbide	⁴Σ	C_∞v
237	BeC	Beryllium Carbide	³Σ^-	C_∞v
238	BeC	Beryllium Carbide
239	CaC	Calcium monocarbide
240	BC	boron monocarbide	⁴Σ^-	C_∞v
241	AlC	Aluminum carbide	⁴Σ	C_∞v
242	BSi	Boron silicide	⁴Σ	C_∞v
243	BSi	Boron silicide	²Σ	C_∞v
244	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
245	C₂	Carbon diatomic	³Σ_g^-
246	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
247	SiC	silicon monocarbide	³Σ	C_∞v
248	SiC	silicon monocarbide	¹Σ	C_∞v
249	GeC	Germanium monocarbide	¹Σ	C_∞v
250	SiGe	Silicon Germanium
251	C₂H	Ethynyl radical	²Σ	C_∞v
252	C₂H	Ethynyl radical
253	C₂H^-	Ethynyl anion	¹Σ	C_∞v
254	C₂H⁺	Ethynyl cation	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	LiN	Lithium Nitride	³Σ	C_∞v
285	LiP	Lithium monophosphide
286	LiP	Lithium monophosphide
287	BeN	Beryllium mononitride	⁴Σ	C_∞v
288	BeN	Beryllium mononitride	²Π	C_∞v
289	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
290	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
291	MgN	Magnesium Nitride
292	MgN	Magnesium Nitride
293	BP	Boron monophosphide	³Π	C_∞v
294	BP	Boron monophosphide	¹Σ	C_∞v
295	AlP	Aluminum monophosphide	³Σ	C_∞v
296	AlP	Aluminum monophosphide	³Π	C_∞v
297	AlP	Aluminum monophosphide	¹Σ	C_∞v
298	GaN	Gallium mononitride	³Π	C_∞v
299	GaN	Gallium mononitride	¹Σ	C_∞v
300	GaP	Gallium monophosphide	³Σ	C_∞v
301	GaP	Gallium monophosphide	¹Σ	C_∞v
302	GaAs	Gallium arsenide	³Π
303	GaAs	Gallium arsenide	¹Σ
304	BN	boron nitride	³Π	C_∞v
305	BN	boron nitride	¹Σ	C_∞v
306	CN	Cyano radical	²Σ	C_∞v
307	CN^-	cyanide anion	¹Σ	C_∞v
308	SiP	Silicon monophosphide	²Π	C_∞v
309	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
310	N₂	Nitrogen diatomic
311	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
312	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
313	PN	Phosphorus mononitride	¹Σ	C_∞v
314	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
315	AsN	Arsenic mononitride	¹Σ	C_∞v
316	AsP	Arsenic monophosphide	¹Σ	C_∞v
317	HCN	Hydrogen cyanide	¹Σ	C_∞v
318	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
319	HNC⁺	hydrogen isocyanide cation
320	HCP⁺	Phosphaethyne cation
321	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
322	LiNH₂	lithium amide
323	HBNH	Boranimine	¹Σ	C_∞v
324	CNH₂	Aminomethylidyne radical	²B₂	C_2v
325	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
326	HCNH	methyleneazane	²A^'	CS cis
327	HCNH	methyleneazane	²A^'	CS trans
328	H₂NN	Isodiazene
329	N₂H₂	(E)-diazene	¹A_g	C_2h
330	N₂H₂	(Z)-Diazene	¹A₁	C_2v
331	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
332	CH₂NH	Methanimine	¹A^'	C_s
333	CH₂NH⁺	Methanimine cation
334	CHNH₂	aminomethylene
335	CHNH₂⁺	Aminocarbene cation
336	CH₂PH	Phosphaethene	¹A^'	C_s
337	BH₂NH₂	Boranamine
338	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
339	N₂H₄	Hydrazine	¹A	C₂
340	N₂H₄⁺	hydrazine cation	²A_G	C_2h
341	CH₃NH₂	methyl amine	¹A^'	C_s
342	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
343	SiH₃NH₂	Silane, amino
344	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
345	BH₃PH₃	borane phosphine
346	BH₃NH₃	borane ammonia	¹A₁	C_3v
347	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
348	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
349	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
350	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
351	N₂H₇⁺	ammonia ammonium dimer
352	LiO	lithium oxide	²Σ	C_∞v
353	LiS	Lithium monosulfide	²Π	C_∞v
354	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
355	NaO	sodium monoxide	²Σ	C_∞v
356	NaS	Sodium sulfide	²Π	C_∞v
357	LiSe	Lithium monoselenide
358	BeO	beryllium oxide	¹Σ	C_∞v
359	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
360	CaO	Calcium monoxide	¹Σ	C_∞v
361	CaS	Calcium sulfide	¹Σ	C_∞v
362	BO	boron monoxide	²Σ	C_∞v
363	ScO	Scandium monoxide	²Σ	C_∞v
364	GaO	Gallium monoxide	²Σ	C_∞v
365	GaS	Gallium monosulfide
366	CO	Carbon monoxide	¹Σ	C_∞v
367	CO^-	carbon monoxide anion	²Π	C_∞v
368	CO⁺	carbon monoxide cation	²Σ	C_∞v
369	SiO	Silicon monoxide	¹Σ	C_∞v
370	SiS	silicon monosulfide	¹Σ	C_∞v
371	TiO	Titanium monoxide	³Δ	C_∞v
372	CSe	Carbon monoselenide	¹Σ	C_∞v
373	GeO	Germanium monoxide	¹Σ	C_∞v
374	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
375	GeS	Germanium monosulfide	¹Σ	C_∞v
376	SiSe	Silicon Monoselenide
377	SiSe⁺	Silicon Monoselenide cation
378	GeSe	Germanium monoselenide
379	NO	Nitric oxide	²Π	C_∞v
380	NO^-	nitric oxide anion	³Σ	C_∞v
381	NO⁺	nitric oxide cation	¹Σ	C_∞v
382	NS	Mononitrogen monosulfide	²Π	C_∞v
383	NS^-	nitrogen sulfide anion	³Σ	C_∞v
384	PO	Phosphorus monoxide	²Π	C_∞v
385	PS	phosphorus sulfide	²Σ	C_∞v
386	VO	Vanadium monoxide	⁴Σ^-
387	NSe	Nitrogen monoselenide	²Π	C_∞v
388	AsS	Arsenic monosulfide	²Π	C_∞v
389	PSe	Phosphorus monoselenide	²Π	C_∞v
390	AsSe	Arsenic monoselenide	²Π	C_∞v
391	O₂	Oxygen diatomic	³Σ_g	D_∞h
392	O₂	Oxygen diatomic	¹Δ_g	D_∞h
393	O₂^-	oxygen diatomic anion	²Π	D_∞h
394	O₂^--	dioxygen dianion
395	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
396	SO	Sulfur monoxide	³Σ	C_∞v
397	SO	Sulfur monoxide	¹Σ	C_∞v
398	SO⁺	sulfur monoxide cation	²Π	C_∞v
399	S₂	Sulfur diatomic	³Σ_g	D_∞h
400	SeO	Selenium monoxide	³Σ	C_∞v
401	Se₂	Selenium diatomic	³Σ_g	D_∞h
402	LiOH	lithium hydroxide	¹Σ	C_∞v
403	BeOH	beryllium monohydroxide	²A^'	C_s
404	BeOH	beryllium monohydroxide	²Σ	C_∞v
405	HBO	Boron hydride oxide	¹Σ	C_∞v
406	HBS	hydrogen boron sulfide	¹Σ	C_∞v
407	COH	Hydroxymethylidyne
408	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
409	HCO	Formyl radical	²A^'	C_s
410	HCO^-	formyl anion	¹A^'	C_s
411	HCO⁺	Formyl cation	¹Σ	C_∞v
412	HNO	Nitrosyl hydride	¹A^'	C_s
413	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
414	NOH	Hydroxyimidogen	³A^"	C_s
415	NOH⁺	O-protonated nitric oxide	²A^'	C_s
416	HO₂	Hydroperoxy radical	²A^"	C_s
417	HO₂⁺	Hydroperoxy cation	³A^"	C_s
418	HSO⁺	Sulfur Monoxide, S-protonated
419	SOH	Sulfur Hydroxide
420	SOH⁺	Sulfur Monoxide, protonated
421	HS₂	Thiosulfeno radical	²A^"	C_s
422	H₂CO	Formaldehyde	¹A₁	C_2v
423	H₂CO^-	formaldehyde anion	²A^'	C_s
424	H₂CO^-	formaldehyde anion
425	H₂CO⁺	formaldehyde cation	²B₂	C_2v
426	HOCH	hydroxycarbene	¹A^'	CS trans
427	HOCH	hydroxycarbene	¹A^'	CS cis
428	H₂CS	Thioformaldehyde	¹A₁	C_2v
429	H₂CS^-	thioformaldehyde anion
430	H₂CS^-	thioformaldehyde anion
431	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
432	H₂CSe	Selenoformaldehyde
433	H₂NO	nitroxide	²B₁	C_2v
434	H₂NO	nitroxide	²A^'	C_s
435	H₂O₂	Hydrogen peroxide	¹A	C₂
436	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
437	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
438	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
439	H₂OO	water oxide
440	HOSH	hydrogen thioperoxide
441	H₂S₂	Disulfane	¹A	C₂
442	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
443	H₂Se₂	hydrogen diselenide
444	CH₂OH	Hydroxymethyl radical	²A	C₁
445	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
446	CH₃O^-	methoxy anion	¹A₁	C_3v
447	CH₃O⁺	Methoxy cation	³A₁	C_3v
448	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
449	NH₂OH	hydroxylamine	¹A^'	C_s
450	NH₂OH⁺	Hydroxylamine cation
451	NH₃O	Ammonia Oxide	¹A₁	C_3v
452	H₂POH	Phosphinous acid	¹A₁^'	CS trans
453	H₂POH	Phosphinous acid	¹A₁^'	CS cis
454	H₃PO	Phosphine oxide	¹A₁	C_3v
455	NH₂SH	Thiohydroxylamine
456	NH₂SH	Thiohydroxylamine
457	NH₃S	sulfidoazane
458	CH₃OH	Methyl alcohol	¹A^'	C_s
459	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
460	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
461	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
462	CH₃OH⁺	Methyl alcohol cation	²A	C₁
463	CH₃SH	Methanethiol	¹A^'	C_s
464	CH₃SH⁺	Methanethiol cation	²A^"	C_s
465	SiH₃OH	silanol
466	NH₂OH₂⁺	protonated hydroxylamine
467	NH₃OH⁺	N-protonated hydroxylamine
468	H₂OH₂O	water dimer	¹A^'	C_s
469	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
470	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
471	LiF	lithium fluoride	¹Σ	C_∞v
472	LiCl	lithium chloride	¹Σ	C_∞v
473	NaF	sodium fluoride	¹Σ	C_∞v
474	NaF⁺	sodium fluoride cation	²Σ	C_∞v
475	NaCl	Sodium Chloride	¹Σ	C_∞v
476	LiBr	Lithium Bromide	¹Σ	C_∞v
477	LiF⁺	lithium fluoride cation	²Π	C_∞v
478	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
479	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
480	TiCl	Titanium Monochloride	⁴Σ	C_∞v
481	ZnF	Zinc monofluoride	²Σ	C_∞v
482	CaBr	Calcium monobromide
483	BF	Boron monofluoride	¹Σ	C_∞v
484	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
485	AlCl	Aluminum monochloride	¹Σ	C_∞v
486	ScF	Scandium monofluoride	¹Σ	C_∞v
487	BBr	Boron monobromide	¹Σ	C_∞v
488	GaF	Gallium monofluoride	¹Σ	C_∞v
489	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
490	AlBr	Aluminum monobromide
491	GaCl	Gallium monochloride	¹Σ_G	C_∞v
492	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
493	GaBr	Gallium monobromide
494	CF	Fluoromethylidyne	²Π	C_∞v
495	SiF	silicon monofluoride	²Π	C_∞v
496	SiF^-	silicon monofluoride anion	³Σ	C_∞v
497	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
498	SiCl	Clorosilylidyne	²Π	C_∞v
499	CBr	Carbon monobromide	²Π	C_∞v
500	GeF	Germanium monofluoride	²Π	C_∞v
501	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
502	GeCl	Germanium monochloride	²Π	C_∞v
503	GeCl⁺	Germanium monochloride cation
504	SiBr	Silicon monobromide	²Π	C_∞v
505	SiBr⁺	Silicon monobromide cation
506	NCl	nitrogen monochloride	³Σ	C_∞v
507	AsF	Arsenic monofluoride	³Σ	C_∞v
508	AsF	Arsenic monofluoride	¹Δ	C_∞v
509	NBr	nitrogen monobromide	³Σ^-	C_∞v
510	AsCl	Arsenic monochloride	³Σ	C_∞v
511	PBr	Phosphorus monobromide
512	FO	Oxygen monofluoride	²Π	C_∞v
513	ClO	Monochlorine monoxide	²Π	C_∞v
514	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
515	SF	Monosulfur monofluoride	²Π	C_∞v
516	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
517	SCl	sulfur monochloride	²Π	C_∞v
518	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
519	BrO	Bromine monoxide	²Π	C_∞v
520	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
521	BrO⁺	Bromine monoxide cation
522	SeF	Selenium monofluoride	²Π	C_∞v
523	SBr	Sulfur monobromide radical
524	SBr⁺	Sulfur monobromide cation
525	SeCl	Selenium monochloride	²Π	C_∞v
526	SeBr	Selenium monobromide
527	BrCl	Bromine monochloride	¹Σ	C_∞v
528	F₂	Fluorine diatomic	¹Σ_g	D_∞h
529	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
530	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
531	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
532	ClF⁺	clorine monofluoride cation	²Π	C_∞v
533	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
534	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
535	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
536	BrF	Bromine monofluoride	¹Σ	C_∞v
537	Br₂	Bromine diatomic	¹Σ_g	D_∞h
538	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
539	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
540	HCF	Fluoromethylene	¹A^'	C_s
541	HCF	Fluoromethylene	³A^"	C_s
542	HCCl	Chloromethylene	¹A^'	C_s
543	HCCl	Chloromethylene	³A^"	C_s
544	HSiF	fluorosilylene
545	HSiCl	Chlorosilylene
546	HSiBr	monobromosilylene
547	HOF	Hypofluorous acid	¹A^'	C_s
548	HOCl	hypochlorous acid	¹A^'	C_s
549	HOCl⁺	hypochlorous acid cation
550	HOBr	Hypobromous acid	¹A^'	C_s
551	HOBr⁺	Hypobromous acid cation	²A^"	C_s
552	F₂H⁺	Fluorine, protonated	¹A^'	C_s
553	ClFH⁺	Chlorine fluoride, F-protonated
554	FClH⁺	Chlorine fluoride, Cl-protonated
555	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
556	CH₂Br	bromomethyl radical
557	CH₂F	fluoromethyl radical	²A	C_s
558	CH₂F⁺	fluoromethyl cation
559	CH₂Cl⁺	chloromethyl cation
560	CH₂Cl	chloromethyl radical	²A^'	C_s
561	CH₂Cl	chloromethyl radical	²B₁	C_2v
562	NH₂Cl	chloramine	¹A^'	C_s
563	CH₃F⁺	methyl fluoride cation
564	CD₃F	methylfluoride-d3	¹A₁	C_3v
565	CH₃F	Methyl fluoride	¹A₁	C_3v
566	CD₃Cl	methyl chloride d3	¹A₁	C_3v
567	CH₃Cl	Methyl chloride	¹A₁	C_3v
568	CH₃Cl⁺	Methyl chloride cation
569	SiH₃F	monofluorosilane	¹A₁	C_3v
570	SiH₃Cl	chlorosilane	¹A₁	C₁
571	CH₃Br	methyl bromide	¹A₁	C_3v
572	GeH₃F	monofluorogermane
573	GeH₃Cl	monochlorogermane
574	SiH₃Br	bromosilane	¹A₁	C_3v
575	NH₃Cl⁺	protonated monochloroammonia
576	CH₃ClH⁺	methyl chloride, protonated
577	NH₄Cl	Ammonium chloride
578	LiNe⁺	Lithium Neon cation
579	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
580	Ar₂	Argon diatomic	¹S_g	D_∞h
581	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
582	Li₃	Lithium trimer	²B₂	C_2v
583	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
584	C₃	carbon trimer	¹Σ_g	D_∞h
585	C₃	carbon trimer	¹A₁	C_2v
586	SiC₂	Silicon dicarbide
587	C₃H₃	cyclopropenyl radical	²A^'	C_s
588	C₃H₄	cyclopropene	¹A₁	C_2v
589	CH₂CCH₂	allene	¹A₁	D_2d
590	CH₃CCH	propyne	¹A^'	C_3v
591	C₃H₅	Allyl radical	²A₂	C_2v
592	C₃H₅	Allyl radical	²A^"	C_s
593	CH₃CHCH	1-propenyl radical	²A^'	C_s
594	C₃H₆	Cyclopropane	¹A₁^'	D_3h
595	CH₂CHCH₃	Propene	¹A^'	C_s
596	C₃H₇	n-Propyl radical	²A^"	C₁
597	C₃H₇⁺	cyclopropane, protonated
598	CH₃CHCH₃	Isopropyl radical	²A	C₂
599	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
600	C₃H₈	Propane	¹A₁	C_2v
601	Si₃H₈	trisilane
602	LiCN	lithium cyanide	¹Σ	C*V LiCN
603	LiCN	lithium cyanide	¹A^'	C_s
604	LiCN	lithium cyanide	¹Σ	C*V LiNC
605	NaCN	Sodium Cyanide	¹Σ	C_∞v
606	NaCN	Sodium Cyanide	¹A	C_s
607	NaCN	Sodium Cyanide	¹Σ	C_∞v
608	ZnCN	Zinc monocyanide	²Σ	C_∞v
609	ZnNC	Zinc isocyanide	²Σ	C_∞v
610	AlCN	Aluminum monocyanide
611	AlNC	Aluminum isocyanide
612	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
613	CNN	Diazocarbene
614	NCN	Cyanoimidogen	³Σ_g	D_∞h
615	NCN	Cyanoimidogen	¹Σ_g	D_∞h
616	N₃	azide radical	²Π_g	D_∞h
617	N₃⁺	azide cation	³Σ_g	D_∞h
618	N₃⁺	azide cation	³Σ	C_∞v
619	HCCN	cyanomethylene	³A^"	C_s
620	HCCN	cyanomethylene	³Σ	C_∞v
621	HCCN	cyanomethylene
622	HN₃	hydrogen azide	¹A^'	C_s
623	HN₃⁺	Hydrazoic acid cation
624	HNCNH	diiminomethane	¹A	C₂
625	NH₂CN	cyanamide	¹A₁	C_2v
626	HNNNH⁺	1,2-Triazadienium
627	NH₂NN⁺	hydrazoic acid, protonated
628	CH₃CN	Acetonitrile	¹A₁	C_3v
629	CH₃CN^-	acetonitrile anion	²E	C_3v
630	CH₃CN^-	acetonitrile anion	²A^'	C_s
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	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
646	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
647	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
648	CH₃CH₂NH₂	Ethylamine
649	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
650	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
651	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
652	Li₂O	dilithium oxide	¹Σ_g	D_∞h
653	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
654	Li₂S	dilithium sulfide	¹A₁	C_2v
655	Na₂O	disodium monoxide	¹Σ_g	Linear
656	Na₂O	disodium monoxide	¹A₁	C_2v
657	Na₂S	Sodium sulfide
658	Na₂S	Sodium sulfide
659	LiO₂	Lithium dioxide
660	NaO₂	Sodium superoxide
661	CCO	Dicarbon monoxide	³Σ	C_∞v
662	CCO	Dicarbon monoxide	¹Π	C_∞v
663	NCO	isocyanato radical	²Π	C_∞v
664	N₂O	Nitrous oxide	¹Σ	C_∞v
665	N₂O^-	Nitrous oxide anion	²A^'	C_s
666	NNS	Nitrogen sulfide	¹Σ	C_∞v
667	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
668	CO₂	Carbon dioxide	¹Σ_g	D_∞h
669	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
670	OCS	Carbonyl sulfide	¹Σ	C_∞v
671	CS₂	Carbon disulfide	¹Σ_g	D_∞h
672	CS₂^-	Carbon disulfide anion	²A₁	C_2v
673	TiO₂	Titanium dioxide	¹A₁	C_2v
674	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
675	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
676	OCSe	Carbonyl selenide	¹Σ	C_∞v
677	SCSe	Carbon sulfide selenide
678	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
679	CSe₂	Carbon diselenide	¹A₁	D_∞h
680	NO₂	Nitrogen dioxide	²A₁	C_2v
681	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
682	NSO	sulfinyl amidogen
683	SNO	Nitrogen oxide sulfide
684	AsO₂	Aresenic dioxide	²A₁	C_2v
685	O₃	Ozone	¹A₁	C_s
686	SO₂	Sulfur dioxide	¹A₁	C_2v
687	SSO	Disulfur monoxide	¹A^'	C_s
688	S₃	Sulfur trimer	¹A₁	C_2v
689	S₃	Sulfur trimer
690	S₃⁺	Sulfur trimer cation	²B₂	C_2v
691	SeO₂	Selenium dioxide	¹A₁	C_2v
692	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
693	HCCO	ketenyl radical	²Π	C_∞v
694	HCCO	ketenyl radical	²A^"	C_s
695	HCNO	fulminic acid	¹Σ	C_∞v
696	HCNO	fulminic acid	¹A^'	C_s
697	HNCS	Isothiocyanic acid
698	HSCN	thiocyanic acid	¹A^'	C_s
699	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
700	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
701	HCOO	formate neutral radical	²A^'	C_s
702	HOCO	Hydrocarboxyl radical	¹A^'	cis
703	HOCO	Hydrocarboxyl radical	¹A^'	trans
704	O₃H⁺	protonated ozone	¹A^'	C_s
705	O₃H⁺	protonated ozone
706	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
707	C₂H₂O	Oxirene	¹A₁	C_2v
708	CH₂CO	Ketene	¹A₁	C_2v
709	CH₂CS	Thioketene
710	Be(OH)₂	Beryllium hydroxide
711	Be(OH)₂	Beryllium hydroxide
712	NH₂NO	Nitrosamide	¹A	C₁
713	H₂COO	Dioxymethyl radical	²A^'	C_s
714	H₂COO⁺	dioxymethyl cation	²A^'	C_s
715	HCOOH	Formic acid	¹A^'	C_s
716	HCOOH	Formic acid
717	H₂O₃	Hydrogen trioxide	¹A	C₂
718	HSSSH	trisulfane	¹A^'	C_s
719	NaOCH₃	Sodium methoxide	¹A₁	C_3v
720	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
721	BH₃CO	Borane carbonyl	¹A₁	C_3v
722	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
723	CH₂COH⁺	ketene, protonated
724	CH₂NOH	formaldoxime	¹A^'	C_s
725	CH₃NO	nitrosomethane	¹A^'	C_s
726	CHONH₂	formamide	¹A^'	Planar
727	CHONH₂	formamide	¹A	Non-Planar
728	CNOH₃	1,2-oxaziridine	¹A	C₁
729	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
730	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
731	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
732	CHSNH₂	thioformamide
733	NHCHSH	Methanimidothioic acid
734	C₂H₄O	Ethylene oxide	¹A₁	C_2v
735	C₂H₄O⁺	ethylene oxide cation
736	CH₃CHO	Acetaldehyde	¹A^'	C_s
737	CH₃CHO⁺	acetaldehyde cation
738	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
739	C₂H₄S	Thiirane	¹A₁	C_2v
740	CH₂CHSH	Ethenethiol
741	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
742	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
743	NH₂CHOH⁺	Formamide, O-protonated
744	CH₂(OH)₂	methanediol	¹A	C₂
745	CH₃SSH	Hydrogen methyl disulfide
746	HSCH₂SH	Methanedithiol
747	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
748	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
749	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
750	NH₂CH₂OH	aminomethanol
751	CH₃CH₂OH	Ethanol	¹A^'	C_s
752	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
753	CH₃CH₂SH	ethanethiol	¹A^'	C_s
754	CH₃CH₂SH	ethanethiol	¹A	C₁
755	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
756	CH₃SCH₃⁺	dimethyl sulfide cation
757	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
758	CuF₂	Copper difluoride	²Π_g	D_∞h
759	CNF	iso cyanogen fluoride	¹Σ	C_∞v
760	BrCN	Cyanogen bromide	¹Σ	C_∞v
761	FBO	Boron monofluoride monoxide
762	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
763	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
764	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
765	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
766	BeBr₂	Beryllium bromide
767	CaBr₂	Calcium dibromide
768	FCO	Carbonyl fluoride	²A^'	C_s
769	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
770	ClCO	carbonyl monochloride	²A^'	C_s
771	BF₂	Boron difluoride radical	²A₁	C_2v
772	FNO	Nitrosyl fluoride	¹A^'	C_s
773	ClNO	Nitrosyl chloride	¹A^'	C_s
774	FNS	Thionitrosyl fluoride	¹A^'	C_s
775	FSN	Thiazyl fluoride	¹A^'	C_s
776	OPCl	Phosphorus oxychloride
777	CF₂	Difluoromethylene	¹A₁	D_∞h
778	CFCl	chlorofluoromethylene	¹A^'	C_s
779	SiF₂	Silicon difluoride	¹A₁	C_2v
780	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
781	GeF₂	Germanium difluoride	¹A₁	C_2v
782	GeCl₂	Germanium dichloride	¹A₁	C_2v
783	CBr₂	dibromomethylene	¹A₁	C_2v
784	CBr₂	dibromomethylene	³B₁	C_2v
785	FOO⁺	Fluorine dioxide cation
786	OClO	Chlorine dioxide	²B₁	D_∞h
787	OClO^-	Chlorine dioxide anion	¹A^'	C_s
788	ClSO	Sulfur chloride oxide	²A^"	C_s
789	BrOO	Bromine dioxide
790	OBrO	Bromine dioxide radical	²B₁	C_2v
791	PF₂	Phosphorus difluoride
792	PF₂⁺	Phosphorus difluoride cation
793	FClO	chlorosyl fluoride	¹A^'	C_s
794	ClOF	Chlorine hypofluorite	¹A^'	C_s
795	SF₂	sulfur difluoride	¹A₁	C_2v
796	SF₂^-	sulfur difluoride anion	²A^'	C_s
797	SF₂^-	sulfur difluoride anion	²Π	D_∞h
798	SCl₂	Sulfur dichloride	¹A₁	C_2v
799	SeF₂	Selenium difluoride
800	SeCl₂	Selenium Dichloride
801	SBr₂	Sulfur dibromide
802	SeBr₂	Selenium dibromide
803	F₃^-	trifluoride anion	¹Σ_g	D_∞h
804	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
805	Br₃^-	tribromide anion
806	SFCl	Sulfur chloride fluoride
807	HCCF	Fluoroacetylene	¹Σ	C_∞v
808	HCCCl	Chloroacetylene	¹Σ	C_∞v
809	HCCBr	bromoacetylene	¹Σ	C_∞v
810	HFCO⁺	formyl fluoride cation	²A^'	C_s
811	CHCl₂	dichloromethyl radical	²B₁	C_2v
812	CHCl₂	dichloromethyl radical	²A^'	C_s
813	CHF₂	difluoromethyl radical	²A	C_s
814	CHF₂⁺	difluoromethyl cation
815	CHFCl	Chlorofluoromethyl radical
816	CHFCl⁺	Chlorofluoromethyl cation
817	CHCl₂⁺	dichloromethyl cation
818	CHBr₂	dibromomethyl radical
819	NHF₂	difluoramine
820	NHCl₂	dichloroamine
821	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
822	SiH₂F₂	difluorosilane
823	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
824	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
825	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
826	CH₂Br₂	dibromomethane	¹A₁	C_2v
827	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
828	CH₃MgBr	Methyl Magnesium Bromide
829	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
830	CH₂FOH	fluoromethanol
831	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
832	CHClCH₃	1-chloroethyl radical	²A	C₁
833	C₂H₅Br	Ethyl bromide	¹A^'	C_s
834	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
835	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
836	C₄	Carbon tetramer	³Σ_g	D_∞h
837	C₄	Carbon tetramer
838	C₄H₂	Diacetylene	¹Σ_g	D_∞h
839	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
840	C₄H₄	cyclobutadiene	¹A_g	D_2h
841	C₄H₄	Tetrahedrane
842	C₄H₆	1-Methylcyclopropene	¹A	C₁
843	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
844	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
845	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
846	C₄H₈	methylcyclopropane	¹A^'	C_s
847	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
848	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
849	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
850	Li₃N	trilithium nitride	¹A^'	D_3h
851	Li₃N	trilithium nitride	¹A₁	C_3v
852	C₂N₂	Cyanogen	¹Σ_g	D_∞h
853	As₄	Arsenic tetramer	¹A₁	T_d
854	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
855	H₂CNCN	cyanamide, methylene
856	HNCCNH	Ethenediimine
857	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
858	CH₃N₃	methyl azide	¹A^'	C_s
859	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
860	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
861	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
862	C₂H₅CN	ethyl cyanide	¹A^'	C_s
863	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
864	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
865	H₂NCHCHNH₂	diaminoethylene
866	CH₇N₃	triaminomethane
867	C₄H₈	cyclobutane	¹A₁	D_2d
868	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
869	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
870	N(SiH₃)₃	trisilylamine
871	(CH₃)₃NH⁺	protonated trimethyl amine
872	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
873	C₃O	Tricarbon monoxide	¹Σ	C_∞v
874	ONNO	NO dimer	¹A_g	trans C2H
875	ONNO	NO dimer	¹A₁	cis C2V
876	S₂N₂	Disulfur dinitride	¹A_G	D_2h
877	CS₃^--	Carbonotrithioate
878	NO₃^-	nitrate anion	¹A₁^'	D_3h
879	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
880	SO₃	Sulfur trioxide	¹A₁^'	D_3h
881	SO₃^--	Sulfate dianion
882	SeO₃	selenium trioxide	¹A₁^'	D_3h
883	S₄	Sulfur tetramer
884	S₄	Sulfur tetramer
885	S₄	Sulfur tetramer
886	HNO₃	Nitric acid	¹A^'	C_s
887	NH₂NO₂	nitramide	¹A^'	C_s
888	C₃H₂O	Propadienal
889	C₃H₂O	Propadienal
890	C₂H₂O₂	Ethanedial	¹A_g	C_2h
891	H₂SO₃	Sulfurous acid	¹A^'	C_s
892	C₂H₃NO	Nitrosoethylene
893	CH₃NCO	methylisocyante
894	HOCH₂CN	cyanomethanol
895	CH₃NO₂	Methane, nitro-	¹A^'	C_s
896	NH₂COOH	Carbamic acid	¹A^'	C_s
897	NH₂COOH	Carbamic acid	¹A	C₁
898	H₃AlO₃	Aluminum hydroxide
899	CH₂CHCHO	Acrolein	¹A^'	C_s
900	CH₂CHCHO	Acrolein
901	NH₂CONH₂	Urea	¹A	C₂
902	NH₂CONH₂	Urea	¹A^'	C_s
903	NH₂CONH₂	Urea	¹A₁	C_2v
904	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
905	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
906	CH₃COCH₂	Acetonyl radical	²A^"	C_s
907	CH₂C(OH)NH₂	1-amino vinyl alchohol
908	CH₃C(OH)=NH	Ethaninidic acid
909	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
910	HCONHCH₃	N-methylformamide	¹A^'	CS cis
911	HCONHCH₃	N-methylformamide	¹A^'	CS trans
912	CH₃CSNH₂	Ethanethioamide
913	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
914	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
915	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
916	C₃H₅OH	Cyclopropanol	¹A	C₁
917	C₃H₆O	2-Propen-1-ol	¹A	C₁
918	C₃H₆O	Acetone enol	¹A^'	C_s
919	C₃H₆O	Oxetane	¹A₁	C_2v
920	C₃H₆O	Oxetane	¹A^'	C_s
921	CH₃CH₂CHO	Propanal	¹A^'	C_s
922	CH₃COCH₃	Acetone	¹A₁	C_2v
923	CH₃COCH₃^-	acetone anion	²A^'	C_s
924	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
925	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
926	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
927	C₃H₇OH	1-Propanol
928	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
929	Li₂F₂	Lithium fluoride dimer
930	FNO₂	Nitryl fluoride	¹A₁	C_2v
931	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
932	ClONO	chlorine nitrite	¹A^'	CS cis
933	CF₂O	Carbonic difluoride	¹A₁	C_2v
934	CF₂O⁺	Carbonic difluoride cation
935	Cl₂CS	Thiophosgene	¹A₁	C_2v
936	BF₃	Borane, trifluoro-	¹A^'	D_3h
937	BF₃⁺	boron trifluoride cation	²B₂	C_2v
938	BF₃⁺	boron trifluoride cation
939	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
940	BClF₂	Chlorodifluoroborane
941	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
942	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
943	BCl₃⁺	Boron Trichloride cation
944	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
945	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
946	BBr₃	Boron tribromide	¹A₁^'	D_3h
947	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
948	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
949	CF₂Cl	difluorochloromethyl radical
950	SiF₃	Silicon trifluoride radical	²A₁	C_3v
951	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
952	CFCl₂	dichlorofluoromethyl radical
953	CBr₃	tribromomethyl radical
954	ClO₂F	Chloryl fluoride	¹A^'	C_s
955	F₂SO	Thionyl Fluoride	¹A^'	C_s
956	ClOOCl	Dichlorine dioxide	¹A	C₂
957	SSCl₂	Thiothionyl chloride
958	NF₃	Nitrogen trifluoride	¹A₁	C_3v
959	NCl₃	nitrogen trichloride	¹A₁	C_3v
960	AsCl₃	Arsenous trichloride	¹A₁	C_3v
961	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
962	PBr₃	Phosphorus tribromide	¹A₁	C_3v
963	SF₃	Sulfur trifluoride	²A^'	C_s
964	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
965	ClF₃	Chlorine trifluoride	¹A₁	C_2v
966	HClO₃	Chloric Acid	¹A^'	C_s
967	HClO₃	Chloric Acid	¹A	C₁
968	CHF₃	Methane, trifluoro-	¹A₁	C_3v
969	SiHF₃	trifluorosilane
970	CDCl₃	trichloromethane-d	¹A₁	C_3v
971	CHCl₃	Chloroform	¹A₁	C_3v
972	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
973	CHFClBr	fluorochlorobromomethane	¹A	C₁
974	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
975	CHBr₂F	dibromofluoromethane
976	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
977	AsF₃H⁺	Arsenic trifluoride, protonated
978	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
979	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
980	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
981	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
982	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
983	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
984	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
985	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
986	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
987	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
988	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
989	CH₂BrCH₂Cl	1-bromo-2-chloroethane
990	CH₂BrCH₂Cl	1-bromo-2-chloroethane
991	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
992	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
993	CH₂CHCH₂F	Allyl Fluoride
994	CH₂CHCH₂F	Allyl Fluoride
995	CH₃CHCHF	trans-1-Fluoro-1-propene
996	CH₂FCH₂OH	2-fluoroethanol
997	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
998	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
999	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1000	CH₂FCH₂CH₃	1-Fluoropropane
1001	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1002	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1003	B₅H₉	pentaborane9
1004	C₅H₄	pentatetraene
1005	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1006	C₅H₆	Propellane	¹A₁	D_3h
1007	C₅H₈	Bicyclo[1.1.1]pentane
1008	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1009	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1010	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1011	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1012	C₄H₄N	pyrrolide radical	²A₂	C_2v
1013	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1014	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1015	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1016	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1017	C₄H₅N	Pyrrole	¹A₁	C_2v
1018	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1019	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1020	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1021	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1022	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1023	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1024	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1025	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1026	B₂O₃	diboron trioxide
1027	B₂O₃	diboron trioxide
1028	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1029	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1030	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1031	HOONO₂	peroxy nitric acid	¹A	C₁
1032	HSO₄^-	bisulfate anion	¹A^'	C_s
1033	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1034	CHOOCHO	diformyl ether
1035	H₂SeO₄	Selenic acid	¹A	C₂
1036	C₃H₃NO	Isoxazole	¹A^'	C_s
1037	C₃H₃NO	Oxazole	¹A^'	C_s
1038	C₃H₃NS	Thiazole
1039	C₄H₄O	Furan	¹A₁	C₂
1040	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1041	C₄H₄Se	selenophene
1042	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1043	HOCHCCHOH	allenediol	¹A	C₂
1044	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1045	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1046	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1047	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1048	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1049	CH₂CHSCHCH₂	Divinyl sulfide
1050	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1051	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1052	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1053	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1054	C₄H₁₀O	1-Butanol	¹A^'	C_s
1055	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1056	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1057	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1058	C₄H₉SH	1-Butanethiol
1059	BrONO₂	Bromine nitrate	¹A^'	C_s
1060	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1061	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1062	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1063	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1064	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1065	CCl₄	Carbon tetrachloride	¹A₁	T_d
1066	CBrCl₂F	bromodichlorofluoromethane
1067	CBr₂ClF	dibromochlorofluoromethane
1068	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1069	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1070	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1071	CBr₄	Carbon tetrabromide	¹A₁	T_d
1072	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1073	GeBr₄	Germanium tetrabromide
1074	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1075	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1076	SeF₄	Selenium tetrafluoride
1077	SCl₄	Sulfur tetrachloride
1078	CF₃OH	trifluoromethanol	¹A^'	C_s
1079	CH₂ClCCCl	1,3-dichloropropyne
1080	CHCl₂CCH	3,3-dichloropropyne
1081	CHCl₂CHO	dichloroacetaldehyde
1082	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1083	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1084	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1085	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1086	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1087	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1088	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1089	CH₂FCH₂CH₂F	1,3-difluoropropane
1090	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1091	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1092	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1093	C₂H₂N₂O	Furazan
1094	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1095	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1096	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1097	C₆H₅^-	phenyl anion	¹A₁	C_2v
1098	C₆H₆	Prismane
1099	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1100	C₆H₆	Benzene	¹A_1g	D_6h
1101	C₆H₆	Benzvalene	¹A₁	C_2v
1102	C₆H₆	Dewar Benzene
1103	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1104	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1105	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1106	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1107	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1108	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1109	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1110	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1111	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1112	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1113	C₆H₁₂	hex-1-ene	¹A^'	C_s
1114	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1115	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1116	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1117	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1118	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1119	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1120	C₃H₂O₃	vinylene carbonate
1121	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1122	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1123	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1124	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1125	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1126	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1127	C₅H₆O	2H-Pyran
1128	C₅H₆O	Pentadienal
1129	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1130	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1131	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1132	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1133	C₅H₈O	Cyclopentanone	¹A	C₂
1134	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1135	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1136	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1137	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1138	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1139	C₄F₂	difluorobutadiyne
1140	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1141	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1142	C₂ClF₃	Ethene, chlorotrifluoro-
1143	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1144	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1145	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1146	C₂Br₄	tetrabromoethene
1147	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1148	SiF₅^-	silicon pentafluoride anion
1149	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1150	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1151	SF₅	Sulfur pentafluoride	²A₁	C_4v
1152	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1153	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1154	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1155	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1156	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1157	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1158	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1159	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1160	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1161	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1162	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1163	C₄H₈O₂	Butanoic acid	¹A	C₁
1164	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1165	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1166	C₇H₁₄	cycloheptane	¹A	C₂
1167	CH(CN)₃	tricyanomethane
1168	HN=C=C(CN)₂	Dicyanoketenimine
1169	C₆H₁₅N	triethylamine	¹A	C₃
1170	C₅H₄O₂	furfural	¹A^'	OCCO cis
1171	C₅H₄O₂	furfural	¹A^'	OCCO trans
1172	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1173	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1174	C₅H₈O₂	Acetylacetone	¹A	C₂
1175	C₇H₁₀	Norbornene
1176	C₆H₁₂O	Oxepane
1177	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
1178	F₂CCCF₂	tetrafluoroallene
1179	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1180	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1181	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1182	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1183	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1184	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1185	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1186	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1187	C₈H₆	Calicene	¹A₁	C_2v
1188	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1189	C₈H₆	Pentalene	¹A_g	C_2h
1190	C₈H₈	cubane	¹A_1G	O_h
1191	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1192	C₈H₁₆	cyclooctane	¹A₁	D_4d
1193	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1194	S₄N₄	Tetrasulfur tetranitride
1195	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1196	C₅H₉NO₂	Proline	¹A	C₁
1197	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1198	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1199	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1200	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1201	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1202	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1203	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1204	C₆H₄Cl₂	1,4-dichlorobenzene
1205	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1206	C₉H₈	Indene	¹A^'	C_s
1207	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1208	C₉H₂₀	Nonane	¹A₁	C_2v
1209	C(CN)₄	tetracyanomethane	¹A₁	T_d
1210	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1211	CH₃COC₆H₅	acetophenone	¹A	C₁
1212	C₃F₆	hexafluoropropene
1213	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1214	C₈H₁₈O	1-Octanol
1215	C₁₀H₈	Azulene	¹A₁	C_2v
1216	C₁₀H₈	naphthalene	¹A_g	D_2h
1217	C₁₀H₁₀	bullvalene
1218	C₁₀H₂₂	Decane	¹A_G	C_2h
1219	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1220	C₁₂H₈	biphenylene	¹A_g	D_2h
1221	C₁₂H₁₀	Heptalene	¹A	C₂
1222	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
1223	S₂F₁₀	disulphur decafluoride
1224	C₁₃H₁₀	Fluorene
1225	C₁₄H₁₄	Bibenzyl	¹A	C₂
1226	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1227	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1228	C₁₉H₁₆	Triphenylmethane	¹A	C₃
1229	C₂₄H₁₂	Coronene	¹A_1G	D_6h
1230	C₆₀	Buckminsterfullerene	¹A_G	I_h

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

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