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

List of which calculations are completed at M06-2X /6-311G*

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	He	Helium atom	¹S	K_h
7	He	Helium atom
8	He⁺	Helium atom cation	²S	K_h
9	HeH⁺	Helium hydride cation	¹Σ	C_∞v
10	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
11	Li	Lithium atom	²S	K_h
12	Li^-	Lithium atom anion	¹S	K_h
13	Li⁺	Lithium atom cation	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	Na⁺	Sodium atom cation	¹S	K_h
16	K	Potassium atom	²S	K_h
17	LiH	Lithium Hydride	¹Σ	C_∞v
18	LiH⁺	lithium hydride cation	²Σ	C_∞v
19	NaH	sodium hydride	¹Σ	C_∞v
20	NaH⁺	sodium hydride cation	²Σ	C_∞v
21	KH	Potassium hydride	¹Σ	C_∞v
22	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
23	Be	Beryllium atom	¹S	K_h
24	Be⁺	Beryllium atom cation	²S	K_h
25	Mg	Magnesium atom	¹S	K_h
26	Mg⁺	Magnesium atom cation	²S	K_h
27	BeH	beryllium monohydride	²Σ	C_∞v
28	MgH	magnesium monohydride	²Σ	C_∞v
29	CaH	Calcium monohydride	²Σ	C_∞v
30	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
31	TiH	Titanium monohydride	⁴Φ	C_∞v
32	ZnH⁺	Zinc, protonated
33	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
34	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
35	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
36	BeH₂⁺	Beryllium dihydride cation
37	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
38	B	Boron atom	²P	K_h
39	B	Boron atom	⁴P	K_h
40	B⁺	Boron atom cation	¹S	K_h
41	Al	Aluminum atom	²P	K_h
42	Al^-	Aluminum atom anion	³P	K_h
43	Al⁺	Aluminum atom cation	¹S	K_h
44	Sc	Scandium atom	²D	K_h
45	Sc⁺	Scandium cation	³D	K_h
46	Ga	Gallium atom	²P
47	Ga^-	Gallium atom anion	³P	O_h
48	Ga⁺	Gallium atom cation	¹S
49	BH	Boron monohydride	¹Σ	C_∞v
50	BH	Boron monohydride	³Π	C_∞v
51	BH^-	boron monohydride anion	⁴Σ	C_∞v
52	ScH	Scandium monohydride	¹Σ	C_∞v
53	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
54	GaH	Gallium monohydride	¹Σ	C_∞v
55	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
56	BH₂^-	boron dihydride anion	³B₁	C_2v
57	BH₂^-	boron dihydride anion	¹A₁	C_2v
58	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
59	BH₃	boron trihydride	¹A₁^'	D_3h
60	BH₃⁺	boron trihydride cation	²B₂	C_2v
61	BH₃⁺	boron trihydride cation		C_2v
62	AlH₃	aluminum trihydride	¹A₁^'	D_3h
63	AlH₃^-	aluminum trihydride anion		C_3v
64	ScH₃	Scandium trihydride	¹A₁^'	D_3h
65	ScH₃	Scandium trihydride	¹A₁	C_3v
66	GaH₃	Gallium trihydride	¹A₁^'	D_3h
67	BH₄	borohydride	²B₂	C_2v
68	BH₄^-	borohydride anion	¹A₁	T_d
69	C	Carbon atom	³P₀	K_h
70	C	Carbon atom	³P₁	K_h
71	C^-	Carbon atom anion	²D	K_h
72	C⁺	Carbon atom cation	²P	K_h
73	Si	Silicon atom	³P	K_h
74	Si	Silicon atom	¹S	K_h
75	Si^-	Silicon atom anion	⁴S	K_h
76	Si⁺	Silicon atom cation	²P	K_h
77	Ge	Germanium atom	³P	K_h
78	Ge^-	Germanium anion	⁴S	K_h
79	Ge⁺	Germanium cation	²P	K_h
80	CH	Methylidyne	²Π_1/2	C_∞v
81	SiH	Silylidyne	²Π	C_∞v
82	SiH^-	silicon monohydride anion	³Σ	C_∞v
83	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
84	GeH	germylidene	²Π	C_∞v
85	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
86	CH₂	Methylene	³B₁	C_2v
87	CH₂	Methylene	³Σ_G	D_∞h
88	CH₂	Methylene	¹A₁	C_2v
89	CH₂^-	methylene anion	²B₁	C_2v
90	CH₂⁺	methylene cation	²A₁	C_2v
91	CH₂⁺	methylene cation	²Π	D_∞h
92	SiH₂	silicon dihydride	¹A₁	C_2v
93	SiH₂	silicon dihydride	³B₁	C_2v
94	GeH₂	germylene	¹A₁	C_2v
95	GeH₂^-	germylene anion	²B₁	C_2v
96	CH₃	Methyl radical	²A₁	D_3h
97	CH₃^-	methyl anion	¹A₁	C_3v
98	CH₃⁺	methyl cation	¹A₁^'	D_3h
99	SiH₃	Silyl radical	²A₁	C_3v
100	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
101	GeH₃	Germyl radical	²A₁	C_3v
102	GeH₃⁺	germyl cation	¹A₁^'	D_3h
103	CD₄	methane-d4	¹A₁	T_d
104	CH₂D₂	methane-d2	¹A₁	C_2v
105	CH₃D	methane-d	¹A₁	C_3v
106	CH₄	Methane	¹A₁	T_d
107	CH₄^-	Methane anion	²A₁	T_d
108	CH₄^-	Methane anion	²A₁	C_3v
109	CHD₃	methane-d3	¹A₁	C_3v
110	SiH₂D₂	silane-d2
111	SiH₄	Silane	¹A₁	T_d
112	GeH₄	Germane	¹A₁	T_d
113	SiH₅⁺	Silane, protonated
114	N	Nitrogen atom	⁴S	K_h
115	N	Nitrogen atom	²D	K_h
116	N⁺	Nitrogen atom cation	³P	K_h
117	P	Phosphorus atom	⁴S	K_h
118	V	Vanadium atom	⁴F	K_h
119	V⁺	Vanadium atom cation	⁵D	K_h
120	As	Arsenic atomic	⁴S	K_h
121	As^-	Arsenic anion	³P	K_h
122	As⁺	Arsenic cation	³P	K_h
123	PH	phosphorus monohydride	³Σ^-	C_∞v
124	AsH	Arsenic monohydride	³Σ	C_∞v
125	AsH	Arsenic monohydride	¹Σ	C_∞v
126	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
127	NH₂	Amino radical	²B₁	C_2v
128	NH₂⁺	Amino cation	³B₁	C_2v
129	NH₂⁺	Amino cation	¹A₁	C_2v
130	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
131	NH₃	Ammonia	¹A₁	C_3v
132	NH₃^-	Ammonia anion	²A₁	C_3v
133	NH₃⁺	ammonia cation	²A₂^"	D_3h
134	PH₃	Phosphine	¹A₁	C_3v
135	PH₃⁺	Phosphine cation	²A₁	C_3v
136	AsH₃	Arsine	¹A₁	C_3v
137	AsH₃⁺	Arsine cation	²A₁	C_3v
138	AsH₄⁺	Arsonium
139	NH₄	Ammonium radical
140	NH₄⁺	ammonium cation	¹A₁	T_d
141	PH₄	Phosphoranyl radical
142	PH₄⁺	phosphonium cation
143	O	Oxygen atom	³S	K_h
144	O⁺	Oxygen atom cation	⁴S	K_h
145	S	Sulfur atom	³P	K_h
146	S	Sulfur atom
147	S^-	Sulfur atom anion	²P	K_h
148	S⁺	Sulfur atom cation	⁴S	K_h
149	Se	Selenium atom	³P	K_h
150	Se^-	Selenium atom anion	²P	K_h
151	Se⁺	Selenium atom cation	⁴S	K_h
152	OH	Hydroxyl radical	²Π	C_∞v
153	OH^-	hydroxide anion	¹Σ	C_∞v
154	OH⁺	hydoxyl cation	³Σ	C_∞v
155	HS	Mercapto radical	²Π	C_∞v
156	HS^-	mercapto anion	¹Σ	C_∞v
157	HS⁺	sulfur monohydride cation	³Σ	C_∞v
158	CrH	Chromium hydride	⁶Σ	C_∞v
159	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
160	HSe	Selenium monohydride	²Π	C_∞v
161	HSe^-	selenium monohydride anion	¹Σ	C_∞v
162	HSe⁺	selenium monohydride cation	³Σ	C_∞v
163	H₂O	Water	¹A₁	C_2v
164	H₂O^-	water anion	²A₁	C_2v
165	H₂O^-	water anion	²A^'	C_s
166	H₂O⁺	water cation	²B₁	C_2v
167	HDO	Water-d1	¹A₁	C_2v
168	H₂S	Hydrogen sulfide	¹A₁	C_2v
169	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
170	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
171	H₂Se	Hydrogen selenide	¹A₁	C_2v
172	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
173	H₃O⁺	hydronium cation	¹A₁	C_3v
174	H₃S⁺	Sulfonium cation	¹A₁	C_3v
175	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
176	F	Fluorine atom	²P	K_h
177	F^-	Fluorine atom anion	¹S	K_h
178	F⁺	Fluorine atom cation	³S	K_h
179	F⁺	Fluorine atom cation	¹D	K_h
180	Cl	Chlorine atom	²P	K_h
181	Cl^-	Chlorine atom anion	¹S	K_h
182	Cl⁺	Chlorine atom cation	³P	K_h
183	Cl⁺	Chlorine atom cation	¹D	K_h
184	Br	Bromine atom	²P	K_h
185	Br^-	Bromine atom anion	¹S	K_h
186	Br⁺	Bromine atom cation	³P	K_h
187	HF	Hydrogen fluoride	¹Σ	C_∞v
188	HF^-	hydrogen fluoride anion	²Σ	C_∞v
189	HF⁺	hydrogen fluoride cation	²Π	C_∞v
190	HCl	Hydrogen chloride	¹Σ	C_∞v
191	HCl^-	hydrogen chloride anion	²Σ	C_∞v
192	HCl⁺	hydrogen chloride cation	²Π	C_∞v
193	HBr	hydrogen bromide	¹Σ	C_∞v
194	HBr^-	hydrogen bromide anion	²Σ	C_∞v
195	HBr⁺	hydrogen bromide cation	²Π	C_∞v
196	HI⁺	Hydrogen iodide cation
197	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
198	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
199	H₂I⁺	Iodonium
200	Ne	Neon atom	¹S	K_h
201	Ne	Neon atom
202	Ne⁺	Neon atom cation	²P	K_h
203	Ar	Argon atom	¹S	K_h
204	Kr	Krypton atom	¹S	K_h
205	Kr⁺	Krypton cation	²P	K_h
206	HeLi⁺	Helium Lithium cation
207	NeH	neon hydrogen	²Σ	C_∞v
208	ArH⁺	Argon hydride cation	¹Σ	C_∞v
209	KrH⁺	Protonated Krypton	¹Σ	C_∞v
210	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
211	Li₂	Lithium diatomic	¹Σ_g	D_∞v
212	NaLi	lithium sodium	¹Σ	C_∞v
213	LiK	Lithium Potassium	¹Σ	C_∞v
214	Na₂	Sodium diatomic	¹Σ_g	D_∞h
215	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
216	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
217	NaK	Sodium Potassium	¹Σ	C_∞v
218	NaK⁺	Sodium Potassium diatomic cation		1
219	K₂	Potassium diatomic	¹Σ_g	D_∞h
220	LiBe	Lithium Beryllium	²Σ	C_∞v
221	LiMg	Lithium magnesium	²Σ	C_∞v
222	NaBe	Sodium Beryllium	²Σ	C_∞v
223	NaMg	Sodium Magnesium	²Σ	C_∞v
224	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
225	Be₂	Beryllium diatomic	³Π_g	D_∞h
226	BeMg	Beryllium Magnesium	¹Σ	C_∞v
227	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
228	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
229	LiB	Lithium boride	³Π	C_∞v
230	LiAl	Lithium Aluminum
231	NaAl	Sodium aluminum	¹Σ	C_∞v
232	BeB	Beryllium monoboride	²Π	C_∞v
233	B₂	Boron diatomic	³Σ_g	D_∞h
234	B₂	Boron diatomic	¹Σ_g	D_∞h
235	B₂	Boron diatomic	⁵Σ_u	D_∞h
236	B₂⁺	Boron diatomic cation	²Π	D_∞h
237	BAl	Boron Aluminum	³Σ	C_∞v
238	BGa	Boron Gallium	³Σ	C_∞v
239	AlGa	Aluminum Gallium	³Σ	C_∞v
240	AlGa	Aluminum Gallium	¹Σ	C_∞v
241	Ga₂	Gallium diatomic	³P_iu
242	HBBH	Diborane(2)	³Σ_G	D_∞h
243	LiBH₄	Lithium borohydride	¹A₁	C_3v
244	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
245	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
246	B₂H₆	Diborane	¹A_g	D_2h
247	B₂H₆⁺	Diborane cation
248	Al₂H₆	dialane	¹A_G	D_2h
249	Ga₂H₆	digallane	¹A_G	D_2h
250	LiC	Lithium Carbide	⁴Σ	C_∞v
251	BeC	Beryllium Carbide	³Σ^-	C_∞v
252	BeC	Beryllium Carbide
253	CaC	Calcium monocarbide
254	BC	boron monocarbide	⁴Σ^-	C_∞v
255	AlC	Aluminum carbide	⁴Σ	C_∞v
256	BSi	Boron silicide	⁴Σ	C_∞v
257	BSi	Boron silicide	²Σ	C_∞v
258	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
259	C₂	Carbon diatomic	³Σ_g^-
260	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
261	SiC	silicon monocarbide	³Σ	C_∞v
262	SiC	silicon monocarbide	¹Σ	C_∞v
263	GeC	Germanium monocarbide	¹Σ	C_∞v
264	GeC	Germanium monocarbide
265	SiGe	Silicon Germanium
266	Ge₂	Germanium diatomic	³Σ_g	D_∞h
267	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
268	C₂H	Ethynyl radical	²Σ	C_∞v
269	C₂H^-	Ethynyl anion	¹Σ	C_∞v
270	C₂H₂	Acetylene	¹Σ_g	D_∞h
271	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
272	C₂H₂⁺	acetylene cation
273	CCH₂	vinylidene	³B₂	C_2v
274	H₂CC^-	vinylidene anion
275	HCCH^-	acetylene anion
276	HCCH^-	acetylene anion
277	Si₂H₂	disilyne
278	Si₂H₂	disilyne
279	Si₂H₂	disilyne
280	Si₂H₂	disilyne
281	CH₃Li	methyl lithium	¹A₁	C_3v
282	CH₂BH	methyleneborane	¹A₁	C_2v
283	C₂H₃	vinyl	²A^'	C_s
284	C₂H₃^-	vinyl anion	¹A^'	C_s
285	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
286	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
287	C₂H₄	Ethylene	¹A_g	D_2h
288	C₂H₄^-	Ethylene anion	²A_g	C_2h
289	C₂H₄⁺	Ethylene cation	²B₃	D₂
290	Si₂H₄	Disilene
291	Si₂H₄	Disilene
292	Si₂H₄	Disilene
293	CH₃BH₂	methylborane	¹A^'	C_s
294	C₂H₅	Ethyl radical	²A^'	C_s
295	C₂H₅^-	Ethyl anion	¹A^'	C_s
296	C₂H₆	Ethane	¹A_1g	D_3d
297	C₂H₆	Ethane	¹A₁^'	D_3h
298	C₂H₆⁺	ethane cation	²B_g	C_2h
299	C₂H₆⁺	ethane cation	²A_g	C_i
300	Si₂H₆	disilane	¹E_u	D_3d
301	GeH₃CH₃	methyl germane	¹A₁	C_3v
302	C₂H₇⁺	Ethane, protonated	¹A	C₂
303	LiN	Lithium Nitride	³Σ	C_∞v
304	LiP	Lithium monophosphide
305	LiP	Lithium monophosphide
306	BeN	Beryllium mononitride	⁴Σ	C_∞v
307	BeN	Beryllium mononitride	²Π	C_∞v
308	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
309	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
310	MgN	Magnesium Nitride
311	MgN	Magnesium Nitride
312	BP	Boron monophosphide	³Π	C_∞v
313	BP	Boron monophosphide	¹Σ	C_∞v
314	AlP	Aluminum monophosphide	³Σ	C_∞v
315	AlP	Aluminum monophosphide	³Π	C_∞v
316	AlP	Aluminum monophosphide	¹Σ	C_∞v
317	GaN	Gallium mononitride	³Π	C_∞v
318	GaN	Gallium mononitride	¹Σ	C_∞v
319	GaP	Gallium monophosphide	³Σ	C_∞v
320	GaP	Gallium monophosphide	¹Σ	C_∞v
321	GaAs	Gallium arsenide	³Π
322	GaAs	Gallium arsenide	¹Σ
323	BN	boron nitride	³Π	C_∞v
324	BN	boron nitride	¹Σ	C_∞v
325	CN	Cyano radical	²Σ	C_∞v
326	CN^-	cyanide anion	¹Σ	C_∞v
327	SiP	Silicon monophosphide	²Π	C_∞v
328	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
329	N₂	Nitrogen diatomic
330	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
331	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
332	PN	Phosphorus mononitride	¹Σ	C_∞v
333	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
334	AsN	Arsenic mononitride	¹Σ	C_∞v
335	AsP	Arsenic monophosphide	¹Σ	C_∞v
336	HCN	Hydrogen cyanide	¹Σ	C_∞v
337	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
338	HNC⁺	hydrogen isocyanide cation
339	HCP⁺	Phosphaethyne cation
340	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
341	LiNH₂	lithium amide
342	HBNH	Boranimine	¹Σ	C_∞v
343	CNH₂	Aminomethylidyne radical	²B₂	C_2v
344	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
345	HCNH	methyleneazane	²A^'	CS cis
346	HCNH	methyleneazane	²A^'	CS trans
347	H₂NN	Isodiazene
348	N₂H₂	(E)-diazene	¹A_g	C_2h
349	N₂H₂	(Z)-Diazene	¹A₁	C_2v
350	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
351	CH₂NH	Methanimine	¹A^'	C_s
352	CH₂NH⁺	Methanimine cation
353	CHNH₂	aminomethylene
354	CHNH₂⁺	Aminocarbene cation
355	CH₂PH	Phosphaethene	¹A^'	C_s
356	BH₂NH₂	Boranamine
357	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
358	N₂H₄	Hydrazine	¹A	C₂
359	N₂H₄⁺	hydrazine cation	²A_G	C_2h
360	CH₃NH₂	methyl amine	¹A^'	C_s
361	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
362	SiH₃NH₂	Silane, amino
363	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
364	BH₃PH₃	borane phosphine
365	BH₃NH₃	borane ammonia	¹A₁	C_3v
366	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
367	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
368	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
369	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
370	N₂H₇⁺	ammonia ammonium dimer
371	LiO	lithium oxide	²Σ	C_∞v
372	LiS	Lithium monosulfide	²Π	C_∞v
373	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
374	NaO	sodium monoxide	²Σ	C_∞v
375	KO	Potassium monoxide	²Σ	C_∞v
376	KO⁺	Potassium monoxide cation	³Σ	C_∞v
377	NaS	Sodium sulfide	²Π	C_∞v
378	LiSe	Lithium monoselenide
379	BeO	beryllium oxide	¹Σ	C_∞v
380	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
381	CaO	Calcium monoxide	¹Σ	C_∞v
382	CaS	Calcium sulfide	¹Σ	C_∞v
383	BO	boron monoxide	²Σ	C_∞v
384	ScO	Scandium monoxide	²Σ	C_∞v
385	GaO	Gallium monoxide	²Σ	C_∞v
386	GaS	Gallium monosulfide
387	CO	Carbon monoxide	¹Σ	C_∞v
388	CO	Carbon monoxide	³Π	C_∞v
389	CO^-	carbon monoxide anion	²Π	C_∞v
390	CO⁺	carbon monoxide cation	²Σ	C_∞v
391	SiO	Silicon monoxide	¹Σ	C_∞v
392	SiS	silicon monosulfide	¹Σ	C_∞v
393	TiO	Titanium monoxide	³Δ	C_∞v
394	CSe	Carbon monoselenide	¹Σ	C_∞v
395	GeO	Germanium monoxide	¹Σ	C_∞v
396	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
397	GeS	Germanium monosulfide	¹Σ	C_∞v
398	SiSe	Silicon Monoselenide
399	SiSe⁺	Silicon Monoselenide cation
400	GeSe	Germanium monoselenide
401	NO	Nitric oxide	²Π	C_∞v
402	NO^-	nitric oxide anion	³Σ	C_∞v
403	NO⁺	nitric oxide cation	¹Σ	C_∞v
404	NS	Mononitrogen monosulfide	²Π	C_∞v
405	NS^-	nitrogen sulfide anion	³Σ	C_∞v
406	PO	Phosphorus monoxide	²Π	C_∞v
407	PS	phosphorus sulfide	²Σ	C_∞v
408	VO	Vanadium monoxide	⁴Σ^-
409	NSe	Nitrogen monoselenide	²Π	C_∞v
410	AsS	Arsenic monosulfide	²Π	C_∞v
411	PSe	Phosphorus monoselenide	²Π	C_∞v
412	AsSe	Arsenic monoselenide	²Π	C_∞v
413	O₂	Oxygen diatomic	³Σ_g	D_∞h
414	O₂	Oxygen diatomic	¹Δ_g	D_∞h
415	O₂^-	oxygen diatomic anion	²Π	D_∞h
416	O₂^--	dioxygen dianion
417	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
418	SO	Sulfur monoxide	³Σ	C_∞v
419	SO	Sulfur monoxide	¹Σ	C_∞v
420	SO⁺	sulfur monoxide cation	²Π	C_∞v
421	S₂	Sulfur diatomic	³Σ_g	D_∞h
422	SeO	Selenium monoxide	³Σ	C_∞v
423	Se₂	Selenium diatomic	³Σ_g	D_∞h
424	LiOH	lithium hydroxide	¹Σ	C_∞v
425	KOH	Potassium hydroxide	¹Σ	C_∞v
426	BeOH	beryllium monohydroxide	²A^'	C_s
427	BeOH	beryllium monohydroxide	²Σ	C_∞v
428	HBO	Boron hydride oxide	¹Σ	C_∞v
429	HBS	hydrogen boron sulfide	¹Σ	C_∞v
430	COH	Hydroxymethylidyne
431	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
432	HCO	Formyl radical	²A^'	C_s
433	HCO^-	formyl anion	¹A^'	C_s
434	HCO⁺	Formyl cation	¹Σ	C_∞v
435	HNO	Nitrosyl hydride	¹A^'	C_s
436	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
437	NOH	Hydroxyimidogen	³A^"	C_s
438	NOH⁺	O-protonated nitric oxide	²A^'	C_s
439	HNS^-	Sulfur imide anion	²A	C_s
440	HO₂	Hydroperoxy radical	²A^"	C_s
441	HO₂⁺	Hydroperoxy cation	³A^"	C_s
442	HSO⁺	Sulfur Monoxide, S-protonated
443	SOH	Sulfur Hydroxide
444	SOH⁺	Sulfur Monoxide, protonated
445	HS₂	Thiosulfeno radical	²A^"	C_s
446	H₂CO	Formaldehyde	¹A₁	C_2v
447	H₂CO^-	formaldehyde anion	²A^'	C_s
448	H₂CO^-	formaldehyde anion
449	H₂CO⁺	formaldehyde cation	²B₂	C_2v
450	HOCH	hydroxycarbene	¹A^'	CS trans
451	HOCH	hydroxycarbene	¹A^'	CS cis
452	H₂CS	Thioformaldehyde	¹A₁	C_2v
453	H₂CS^-	thioformaldehyde anion
454	H₂CS^-	thioformaldehyde anion
455	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
456	H₂CSe	Selenoformaldehyde
457	H₂NO	nitroxide	²B₁	C_2v
458	H₂NO	nitroxide	²A^'	C_s
459	H₂O₂	Hydrogen peroxide	¹A	C₂
460	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
461	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
462	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
463	H₂OO	water oxide
464	HOSH	hydrogen thioperoxide
465	H₂S₂	Disulfane	¹A	C₂
466	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
467	H₂Se₂	hydrogen diselenide
468	CH₂OH	Hydroxymethyl radical	²A	C₁
469	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
470	CH₃O^-	methoxy anion	¹A₁	C_3v
471	CH₃O⁺	Methoxy cation	³A₁	C_3v
472	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
473	NH₂OH	hydroxylamine	¹A^'	C_s
474	NH₂OH⁺	Hydroxylamine cation
475	NH₃O	Ammonia Oxide	¹A₁	C_3v
476	H₂POH	Phosphinous acid	¹A₁^'	CS trans
477	H₂POH	Phosphinous acid	¹A₁^'	CS cis
478	H₃PO	Phosphine oxide	¹A₁	C_3v
479	NH₂SH	Thiohydroxylamine
480	NH₂SH	Thiohydroxylamine
481	NH₃S	sulfidoazane
482	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
483	CH₃OH	Methyl alcohol	¹A^'	C_s
484	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
485	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
486	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
487	CH₃OH⁺	Methyl alcohol cation	²A	C₁
488	CH₃SH	Methanethiol	¹A^'	C_s
489	CH₃SH⁺	Methanethiol cation	²A^"	C_s
490	SiH₃OH	silanol
491	NH₂OH₂⁺	protonated hydroxylamine
492	NH₃OH⁺	N-protonated hydroxylamine
493	H₂OH₂O	water dimer	¹A^'	C_s
494	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
495	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
496	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
497	LiF	lithium fluoride	¹Σ	C_∞v
498	LiCl	lithium chloride	¹Σ	C_∞v
499	NaF	sodium fluoride	¹Σ	C_∞v
500	NaF⁺	sodium fluoride cation	²Σ	C_∞v
501	NaCl	Sodium Chloride	¹Σ	C_∞v
502	LiBr	Lithium Bromide	¹Σ	C_∞v
503	LiI	Lithium Iodide
504	NaI	Sodium Iodide
505	LiF⁺	lithium fluoride cation	²Π	C_∞v
506	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
507	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
508	TiCl	Titanium Monochloride	⁴Σ	C_∞v
509	ZnF	Zinc monofluoride	²Σ	C_∞v
510	CaBr	Calcium monobromide
511	BF	Boron monofluoride	¹Σ	C_∞v
512	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
513	AlCl	Aluminum monochloride	¹Σ	C_∞v
514	ScF	Scandium monofluoride	¹Σ	C_∞v
515	BBr	Boron monobromide	¹Σ	C_∞v
516	GaF	Gallium monofluoride	¹Σ	C_∞v
517	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
518	AlBr	Aluminum monobromide
519	GaCl	Gallium monochloride	¹Σ_G	C_∞v
520	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
521	GaBr	Gallium monobromide
522	CF	Fluoromethylidyne	²Π	C_∞v
523	SiF	silicon monofluoride	²Π	C_∞v
524	SiF^-	silicon monofluoride anion	³Σ	C_∞v
525	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
526	SiCl	Clorosilylidyne	²Π	C_∞v
527	CBr	Carbon monobromide	²Π	C_∞v
528	GeF	Germanium monofluoride	²Π	C_∞v
529	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
530	GeCl	Germanium monochloride	²Π	C_∞v
531	GeCl⁺	Germanium monochloride cation
532	SiBr	Silicon monobromide	²Π	C_∞v
533	SiBr⁺	Silicon monobromide cation
534	NCl	nitrogen monochloride	³Σ	C_∞v
535	AsF	Arsenic monofluoride	³Σ	C_∞v
536	AsF	Arsenic monofluoride	¹Δ	C_∞v
537	NBr	nitrogen monobromide	³Σ^-	C_∞v
538	AsCl	Arsenic monochloride	³Σ	C_∞v
539	PBr	Phosphorus monobromide
540	FO	Oxygen monofluoride	²Π	C_∞v
541	ClO	Monochlorine monoxide	²Π	C_∞v
542	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
543	SF	Monosulfur monofluoride	²Π	C_∞v
544	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
545	SCl	sulfur monochloride	²Π	C_∞v
546	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
547	BrO	Bromine monoxide	²Π	C_∞v
548	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
549	BrO⁺	Bromine monoxide cation
550	SeF	Selenium monofluoride	²Π	C_∞v
551	SBr	Sulfur monobromide radical
552	SBr⁺	Sulfur monobromide cation
553	SeCl	Selenium monochloride	²Π	C_∞v
554	SeBr	Selenium monobromide
555	BrCl	Bromine monochloride	¹Σ	C_∞v
556	F₂	Fluorine diatomic	¹Σ_g	D_∞h
557	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
558	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
559	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
560	ClF⁺	clorine monofluoride cation	²Π	C_∞v
561	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
562	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
563	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
564	BrF	Bromine monofluoride	¹Σ	C_∞v
565	IF	Iodine monofluoride	¹Σ	C_∞v
566	Br₂	Bromine diatomic	¹Σ_g	D_∞h
567	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
568	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
569	ICl	Iodine monochloride	¹Σ	C_∞v
570	IBr	Iodine monobromide	¹Σ	C_∞v
571	I₂⁺	Iodine diatomic cation	²Π_g	D_∞v
572	HCF	Fluoromethylene	¹A^'	C_s
573	HCF	Fluoromethylene	³A^"	C_s
574	HCCl	Chloromethylene	¹A^'	C_s
575	HCCl	Chloromethylene	³A^"	C_s
576	HSiF	fluorosilylene
577	HSiCl	Chlorosilylene
578	HSiBr	monobromosilylene
579	CHBr	bromomethylene	¹A^'	C_s
580	CHBr	bromomethylene	³A^"	C_s
581	HOF	Hypofluorous acid	¹A^'	C_s
582	HOCl	hypochlorous acid	¹A^'	C_s
583	HOCl⁺	hypochlorous acid cation
584	HOBr	Hypobromous acid	¹A^'	C_s
585	HOBr⁺	Hypobromous acid cation	²A^"	C_s
586	F₂H⁺	Fluorine, protonated	¹A^'	C_s
587	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
588	ClFH⁺	Chlorine fluoride, F-protonated
589	FClH⁺	Chlorine fluoride, Cl-protonated
590	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
591	CH₂Br	bromomethyl radical	²A^'	C_s
592	CH₂Br	bromomethyl radical
593	CH₂F	fluoromethyl radical	²A	C_s
594	CH₂F⁺	fluoromethyl cation
595	CH₂Cl⁺	chloromethyl cation
596	CH₂Cl	chloromethyl radical	²A^'	C_s
597	CH₂Cl	chloromethyl radical	²B₁	C_2v
598	NH₂Cl	chloramine	¹A^'	C_s
599	CH₃F⁺	methyl fluoride cation
600	CD₃F	methylfluoride-d3	¹A₁	C_3v
601	CH₃F	Methyl fluoride	¹A₁	C_3v
602	CD₃Cl	methyl chloride d3	¹A₁	C_3v
603	CH₃Cl	Methyl chloride	¹A₁	C_3v
604	CH₃Cl⁺	Methyl chloride cation
605	SiH₃F	monofluorosilane	¹A₁	C_3v
606	SiH₃Cl	chlorosilane	¹A₁	C₁
607	CH₃Br	methyl bromide	¹A₁	C_3v
608	GeH₃F	monofluorogermane
609	GeH₃Cl	monochlorogermane
610	SiH₃Br	bromosilane	¹A₁	C_3v
611	NH₃Cl⁺	protonated monochloroammonia
612	CH₃ClH⁺	methyl chloride, protonated
613	NH₄Cl	Ammonium chloride
614	LiNe⁺	Lithium Neon cation
615	Ne₂	Neon diatomic	¹Σ_g	D_∞h
616	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
617	Ar₂	Argon diatomic	¹S_g	D_∞h
618	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
619	Li₃	Lithium trimer	²B₂	C_2v
620	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
621	C₃	carbon trimer	¹Σ_g	D_∞h
622	C₃	carbon trimer	¹A₁	C_2v
623	SiC₂	Silicon dicarbide
624	C₃H₃	cyclopropenyl radical	²A^'	C_s
625	C₃H₄	cyclopropene	¹A₁	C_2v
626	CH₂CCH₂	allene	¹A₁	D_2d
627	CH₃CCH	propyne	¹A^'	C_3v
628	C₃H₅	Allyl radical	²A₂	C_2v
629	C₃H₅	Allyl radical	²A^"	C_s
630	C₃H₅⁺	Allyl cation	¹A₁	C_2v
631	CH₃CHCH	1-propenyl radical	²A^'	C_s
632	C₃H₆	Cyclopropane	¹A₁^'	D_3h
633	CH₂CHCH₃	Propene	¹A^'	C_s
634	C₃H₇	n-Propyl radical	²A^"	C₁
635	C₃H₇⁺	cyclopropane, protonated
636	CH₃CHCH₃	Isopropyl radical	²A	C₂
637	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
638	C₃H₈	Propane	¹A₁	C_2v
639	Si₃H₈	trisilane
640	LiCN	lithium cyanide	¹Σ	C*V LiCN
641	LiCN	lithium cyanide	¹A^'	C_s
642	LiCN	lithium cyanide	¹Σ	C*V LiNC
643	NaCN	Sodium Cyanide	¹Σ	C_∞v
644	NaCN	Sodium Cyanide	¹A	C_s
645	NaCN	Sodium Cyanide	¹Σ	C_∞v
646	KCN	Potassium cyanide	¹Σ	C_∞v
647	KCN	Potassium cyanide	¹Σ	C_∞v
648	KCN	Potassium cyanide	¹A^'	C_s
649	ZnCN	Zinc monocyanide	²Σ	C_∞v
650	ZnNC	Zinc isocyanide	²Σ	C_∞v
651	AlCN	Aluminum monocyanide
652	AlNC	Aluminum isocyanide
653	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
654	CNN	Diazocarbene
655	NCN	Cyanoimidogen	³Σ_g	D_∞h
656	NCN	Cyanoimidogen	¹Σ_g	D_∞h
657	N₃	azide radical	²Π_g	D_∞h
658	N₃⁺	azide cation	³Σ_g	D_∞h
659	N₃⁺	azide cation	³Σ	C_∞v
660	HCCN	cyanomethylene	³A^"	C_s
661	HCCN	cyanomethylene	³Σ	C_∞v
662	HCCN	cyanomethylene
663	HN₃	hydrogen azide	¹A^'	C_s
664	HN₃⁺	Hydrazoic acid cation
665	HNCNH	diiminomethane	¹A	C₂
666	NH₂CN	cyanamide	¹A₁	C_2v
667	HNNNH⁺	1,2-Triazadienium
668	NH₂NN⁺	hydrazoic acid, protonated
669	CH₃CN	Acetonitrile	¹A₁	C_3v
670	CH₃CN^-	acetonitrile anion	²E	C_3v
671	CH₃CN^-	acetonitrile anion	²A^'	C_s
672	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
673	CHNCH₂	2H-Azirine
674	CHNHCH	1H-Azirine
675	H₂CCNH	Ethenimine
676	H₂CNCH	methyleneaminomethylene
677	HCCNH₂	Ethynamine
678	HCNCH₂⁺	2H-Azirine cation
679	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
680	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
681	NH₂CNH⁺	cyanamide, cn protonated
682	NH₃CN⁺	cyanamide, amine protonated
683	CH₂CHNH	vinylazine	²A^"	CS cis
684	CH₂CHNH	vinylazine	²A^"	CS trans
685	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
686	CH₃CHNH	ethanimine	¹A^'	CS NH down
687	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
688	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
689	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
690	CH₃CH₂NH₂	Ethylamine
691	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
692	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
693	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
694	Li₂O	dilithium oxide	¹Σ_g	D_∞h
695	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
696	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
697	Li₂S	dilithium sulfide	¹A₁	C_2v
698	Na₂O	disodium monoxide	¹Σ_g	Linear
699	Na₂O	disodium monoxide	¹A₁	C_2v
700	Na₂S	Sodium sulfide
701	Na₂S	Sodium sulfide
702	LiO₂	Lithium dioxide
703	NaO₂	Sodium superoxide
704	CCO	Dicarbon monoxide	³Σ	C_∞v
705	CCO	Dicarbon monoxide	¹Π	C_∞v
706	NCO	isocyanato radical	²Π	C_∞v
707	N₂O	Nitrous oxide	¹Σ	C_∞v
708	N₂O^-	Nitrous oxide anion	²A^'	C_s
709	NNS	Nitrogen sulfide	¹Σ	C_∞v
710	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
711	CO₂	Carbon dioxide	¹Σ_g	D_∞h
712	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
713	OCS	Carbonyl sulfide	¹Σ	C_∞v
714	CS₂	Carbon disulfide	¹Σ_g	D_∞h
715	CS₂^-	Carbon disulfide anion	²A₁	C_2v
716	TiO₂	Titanium dioxide	¹A₁	C_2v
717	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
718	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
719	OCSe	Carbonyl selenide	¹Σ	C_∞v
720	SCSe	Carbon sulfide selenide
721	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
722	CSe₂	Carbon diselenide	¹A₁	D_∞h
723	NO₂	Nitrogen dioxide	²A₁	C_2v
724	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
725	NSO	sulfinyl amidogen
726	SNO	Nitrogen oxide sulfide
727	AsO₂	Aresenic dioxide	²A₁	C_2v
728	O₃	Ozone	¹A₁	C_s
729	SO₂	Sulfur dioxide	¹A₁	C_2v
730	SSO	Disulfur monoxide	¹A^'	C_s
731	S₃	Sulfur trimer	¹A₁	C_2v
732	S₃	Sulfur trimer
733	S₃^-	Sulfur trimer anion	²B₁	C_2v
734	S₃⁺	Sulfur trimer cation	²B₂	C_2v
735	SeO₂	Selenium dioxide	¹A₁	C_2v
736	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
737	HCCO	ketenyl radical	²Π	C_∞v
738	HCCO	ketenyl radical	²A^"	C_s
739	HCNO	fulminic acid	¹Σ	C_∞v
740	HCNO	fulminic acid	¹A^'	C_s
741	HNCS	Isothiocyanic acid
742	HSCN	thiocyanic acid	¹A^'	C_s
743	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
744	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
745	HCOO	formate neutral radical	²A^'	C_s
746	HOCO	Hydrocarboxyl radical	¹A^'	cis
747	HOCO	Hydrocarboxyl radical	¹A^'	trans
748	O₃H⁺	protonated ozone	¹A^'	C_s
749	O₃H⁺	protonated ozone
750	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
751	C₂H₂O	Oxirene	¹A₁	C_2v
752	CH₂CO	Ketene	¹A₁	C_2v
753	CH₂CS	Thioketene
754	Be(OH)₂	Beryllium hydroxide
755	Be(OH)₂	Beryllium hydroxide
756	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
757	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
758	NH₂NO	Nitrosamide	¹A	C₁
759	H₂COO	Dioxymethyl radical	²A^'	C_s
760	H₂COO⁺	dioxymethyl cation	²A^'	C_s
761	HCOOH	Formic acid	¹A^'	C_s
762	HCOOH	Formic acid
763	H₂O₃	Hydrogen trioxide	¹A	C₂
764	HSSSH	trisulfane	¹A	C₂
765	HSSSH	trisulfane	¹A^'	C_s
766	NaOCH₃	Sodium methoxide	¹A₁	C_3v
767	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
768	BH₃CO	Borane carbonyl	¹A₁	C_3v
769	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
770	CH₂COH⁺	ketene, protonated
771	CH₂NOH	formaldoxime	¹A^'	C_s
772	CH₃NO	nitrosomethane	¹A^'	C_s
773	CHONH₂	formamide	¹A^'	Planar
774	CHONH₂	formamide	¹A	Non-Planar
775	CNOH₃	1,2-oxaziridine	¹A	C₁
776	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
777	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
778	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
779	CHSNH₂	thioformamide
780	NHCHSH	Methanimidothioic acid
781	C₂H₄O	Ethylene oxide	¹A₁	C_2v
782	C₂H₄O⁺	ethylene oxide cation
783	CH₃CHO	Acetaldehyde	¹A^'	C_s
784	CH₃CHO⁺	acetaldehyde cation
785	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
786	C₂H₄S	Thiirane	¹A₁	C_2v
787	CH₂CHSH	Ethenethiol
788	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
789	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
790	NH₂CHOH⁺	Formamide, O-protonated
791	CH₂(OH)₂	methanediol	¹A	C₂
792	CH₃SSH	Hydrogen methyl disulfide
793	HSCH₂SH	Methanedithiol
794	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
795	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
796	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
797	CH₃CH₂O	Ethoxy radical	²A^'	C_s
798	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
799	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
800	CH₃OCH₂	methoxymethyl radical	²A	C₁
801	NH₂CH₂OH	aminomethanol
802	CH₃CH₂OH	Ethanol	¹A^'	C_s
803	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
804	CH₃CH₂SH	ethanethiol	¹A^'	C_s
805	CH₃CH₂SH	ethanethiol	¹A	C₁
806	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
807	CH₃SCH₃⁺	dimethyl sulfide cation
808	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
809	CuF₂	Copper difluoride	²Π_g	D_∞h
810	CNF	iso cyanogen fluoride	¹Σ	C_∞v
811	BrCN	Cyanogen bromide	¹Σ	C_∞v
812	ICN	Cyanogen iodide	¹Σ	C_∞v
813	FBO	Boron monofluoride monoxide
814	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
815	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
816	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
817	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
818	BeBr₂	Beryllium bromide
819	CaBr₂	Calcium dibromide
820	FCO	Carbonyl fluoride	²A^'	C_s
821	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
822	ClCO	carbonyl monochloride	²A^'	C_s
823	BF₂	Boron difluoride radical	²A₁	C_2v
824	FNO	Nitrosyl fluoride	¹A^'	C_s
825	ClNO	Nitrosyl chloride	¹A^'	C_s
826	FNS	Thionitrosyl fluoride	¹A^'	C_s
827	FSN	Thiazyl fluoride	¹A^'	C_s
828	OPCl	Phosphorus oxychloride
829	CF₂	Difluoromethylene	¹A₁	D_∞h
830	CFCl	chlorofluoromethylene	¹A^'	C_s
831	SiF₂	Silicon difluoride	¹A₁	C_2v
832	SiF₂	Silicon difluoride	³B₁	C_2v
833	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
834	GeF₂	Germanium difluoride	¹A₁	C_2v
835	GeCl₂	Germanium dichloride	¹A₁	C_2v
836	CBr₂	dibromomethylene	¹A₁	C_2v
837	CBr₂	dibromomethylene	³B₁	C_2v
838	FOO⁺	Fluorine dioxide cation
839	OClO	Chlorine dioxide	²B₁	D_∞h
840	OClO^-	Chlorine dioxide anion	¹A^'	C_s
841	ClSO	Sulfur chloride oxide	²A^"	C_s
842	BrOO	Bromine dioxide
843	OBrO	Bromine dioxide radical	²B₁	C_2v
844	PF₂	Phosphorus difluoride
845	PF₂⁺	Phosphorus difluoride cation
846	FClO	chlorosyl fluoride	¹A^'	C_s
847	ClOF	Chlorine hypofluorite	¹A^'	C_s
848	SF₂	sulfur difluoride	¹A₁	C_2v
849	SF₂^-	sulfur difluoride anion	²A^'	C_s
850	SF₂^-	sulfur difluoride anion	²Π	D_∞h
851	SCl₂	Sulfur dichloride	¹A₁	C_2v
852	SeF₂	Selenium difluoride
853	SeCl₂	Selenium Dichloride
854	SBr₂	Sulfur dibromide
855	SeBr₂	Selenium dibromide
856	F₃^-	trifluoride anion	¹Σ_g	D_∞h
857	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
858	Br₃^-	tribromide anion
859	SFCl	Sulfur chloride fluoride
860	HCCF	Fluoroacetylene	¹Σ	C_∞v
861	HCCCl	Chloroacetylene	¹Σ	C_∞v
862	HCCBr	bromoacetylene	¹Σ	C_∞v
863	HFCO⁺	formyl fluoride cation	²A^'	C_s
864	CHCl₂	dichloromethyl radical	²B₁	C_2v
865	CHCl₂	dichloromethyl radical	²A^'	C_s
866	CHF₂	difluoromethyl radical	²A	C_s
867	CHF₂⁺	difluoromethyl cation
868	CHFCl	Chlorofluoromethyl radical
869	CHFCl⁺	Chlorofluoromethyl cation
870	CHCl₂⁺	dichloromethyl cation
871	CHBr₂	dibromomethyl radical
872	NHF₂	difluoramine
873	NHCl₂	dichloroamine
874	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
875	SiH₂F₂	difluorosilane
876	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
877	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
878	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
879	CH₂FI	fluoroiodomethane
880	CH₂Br₂	dibromomethane	¹A₁	C_2v
881	CH₂I₂	Diiodomethane
882	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
883	CH₃MgBr	Methyl Magnesium Bromide
884	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
885	CH₂FOH	fluoromethanol
886	CH₃OCl	methyl hypochlorite	¹A^'	C_s
887	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
888	CHClCH₃	1-chloroethyl radical	²A	C₁
889	C₂H₅Br	Ethyl bromide	¹A^'	C_s
890	C₂H₅I	Ethyl iodide
891	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
892	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
893	C₄	Carbon tetramer	³Σ_g	D_∞h
894	C₄	Carbon tetramer
895	C₄H₂	Diacetylene	¹Σ_g	D_∞h
896	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
897	C₄H₄	cyclobutadiene	¹A_g	D_2h
898	C₄H₄	Tetrahedrane
899	C₄H₆	1-Methylcyclopropene	¹A	C₁
900	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
901	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
902	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
903	C₄H₈	methylcyclopropane	¹A^'	C_s
904	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
905	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
906	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
907	Li₃N	trilithium nitride	¹A^'	D_3h
908	Li₃N	trilithium nitride	¹A₁	C_3v
909	C₂N₂	Cyanogen	¹Σ_g	D_∞h
910	As₄	Arsenic tetramer	¹A₁	T_d
911	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
912	H₂CNCN	cyanamide, methylene
913	HNCCNH	Ethenediimine
914	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
915	CH₃N₃	methyl azide	¹A^'	C_s
916	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
917	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
918	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
919	C₂H₅CN	ethyl cyanide	¹A^'	C_s
920	CH₅N₃	Guanidine	¹A	C₁
921	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
922	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
923	H₂NCHCHNH₂	diaminoethylene
924	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
925	CH₆N₃⁺	guanidinium	¹A₁	D₃
926	CH₇N₃	triaminomethane
927	C₄H₈	cyclobutane	¹A₁	D_2d
928	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
929	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
930	N(SiH₃)₃	trisilylamine
931	(CH₃)₃NH⁺	protonated trimethyl amine
932	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
933	K₂O₂	dipotassium dioxide
934	C₃O	Tricarbon monoxide	¹Σ	C_∞v
935	ONNO	NO dimer	¹A_g	trans C2H
936	ONNO	NO dimer	¹A₁	cis C2V
937	S₂N₂	Disulfur dinitride	¹A_G	D_2h
938	CS₃^--	Carbonotrithioate
939	NO₃^-	nitrate anion	¹A₁^'	D_3h
940	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
941	SO₃	Sulfur trioxide	¹A₁^'	D_3h
942	SO₃^--	Sulfate dianion
943	SeO₃	selenium trioxide	¹A₁^'	D_3h
944	S₄	Sulfur tetramer
945	S₄	Sulfur tetramer
946	S₄	Sulfur tetramer
947	HNO₃	Nitric acid	¹A^'	C_s
948	HSO₃	Hydroxysulfonyl radical	²A	C₁
949	NH₂NO₂	nitramide	¹A^'	C_s
950	C₃H₂O	Propadienal
951	C₃H₂O	Propadienal
952	C₂H₂O₂	Ethanedial	¹A_g	C_2h
953	H₂CO₃	Carbonic acid	¹A₁	C_2v
954	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
955	H₂SO₃	Sulfurous acid	¹A^'	C_s
956	C₂H₃NO	Nitrosoethylene
957	CH₃NCO	methylisocyante
958	HOCH₂CN	cyanomethanol
959	CH₃NO₂	Methane, nitro-	¹A^'	C_s
960	NH₂COOH	Carbamic acid	¹A^'	C_s
961	NH₂COOH	Carbamic acid	¹A	C₁
962	H₃AlO₃	Aluminum hydroxide
963	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
964	CH₂CHCHO	Acrolein	¹A^'	C_s
965	CH₂CHCHO	Acrolein
966	NH₂CONH₂	Urea	¹A	C₂
967	NH₂CONH₂	Urea	¹A^'	C_s
968	NH₂CONH₂	Urea	¹A₁	C_2v
969	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
970	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
971	CH₃COCH₂	Acetonyl radical	²A^"	C_s
972	CH₂C(OH)NH₂	1-amino vinyl alchohol
973	CH₃C(OH)=NH	Ethaninidic acid
974	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
975	HCONHCH₃	N-methylformamide	¹A^'	CS cis
976	HCONHCH₃	N-methylformamide	¹A^'	CS trans
977	CH₃CSNH₂	Ethanethioamide
978	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
979	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
980	C₂H₅OO	ethylperoxy radical	²A^'	C_s
981	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
982	C₃H₅OH	Cyclopropanol	¹A	C₁
983	C₃H₆O	2-Propen-1-ol	¹A	C₁
984	C₃H₆O	Acetone enol	¹A^'	C_s
985	C₃H₆O	Oxetane	¹A₁	C_2v
986	C₃H₆O	Oxetane	¹A^'	C_s
987	CH₃CH₂CHO	Propanal	¹A^'	C_s
988	CH₃COCH₃	Acetone	¹A₁	C_2v
989	CH₃COCH₃^-	acetone anion	²A^'	C_s
990	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
991	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
992	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
993	C₃H₇OH	1-Propanol
994	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
995	Li₂F₂	Lithium fluoride dimer
996	FNO₂	Nitryl fluoride	¹A₁	C_2v
997	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
998	ClONO	chlorine nitrite	¹A^'	CS cis
999	CF₂O	Carbonic difluoride	¹A₁	C_2v
1000	CF₂O⁺	Carbonic difluoride cation
1001	Cl₂CS	Thiophosgene	¹A₁	C_2v
1002	BF₃	Borane, trifluoro-	¹A^'	D_3h
1003	BF₃⁺	boron trifluoride cation	²B₂	C_2v
1004	BF₃⁺	boron trifluoride cation
1005	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1006	BClF₂	Chlorodifluoroborane
1007	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
1008	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1009	BCl₃⁺	Boron Trichloride cation
1010	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1011	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1012	BBr₃	Boron tribromide	¹A₁^'	D_3h
1013	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1014	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1015	CF₂Cl	difluorochloromethyl radical
1016	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1017	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1018	CFCl₂	dichlorofluoromethyl radical
1019	CBr₃	tribromomethyl radical
1020	FOOF	Perfluoroperoxide	¹A	C₂
1021	ClO₂F	Chloryl fluoride	¹A^'	C_s
1022	F₂SO	Thionyl Fluoride	¹A^'	C_s
1023	ClOOCl	Dichlorine dioxide	¹A	C₂
1024	SSCl₂	Thiothionyl chloride
1025	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1026	NCl₃	nitrogen trichloride	¹A₁	C_3v
1027	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1028	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1029	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1030	NI₃	Nitrogen triiodide
1031	PI₃	Phosphorus triiodide
1032	SF₃	Sulfur trifluoride	²A^'	C_s
1033	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1034	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1035	HClO₃	Chloric Acid	¹A^'	C_s
1036	HClO₃	Chloric Acid	¹A	C₁
1037	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1038	SiHF₃	trifluorosilane
1039	CDCl₃	trichloromethane-d	¹A₁	C_3v
1040	CHCl₃	Chloroform	¹A₁	C_3v
1041	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1042	CHFClBr	fluorochlorobromomethane	¹A	C₁
1043	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1044	CHBr₂F	dibromofluoromethane
1045	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1046	AsF₃H⁺	Arsenic trifluoride, protonated
1047	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1048	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1049	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1050	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1051	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1052	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
1053	CH₂ClCHO	chloroacetaldehyde	¹A^'	CS eclipsed, cis
1054	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1055	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1056	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1057	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1058	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1059	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1060	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1061	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1062	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1063	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1064	CH₂CHCH₂F	Allyl Fluoride
1065	CH₂CHCH₂F	Allyl Fluoride
1066	CH₃CHCHF	trans-1-Fluoro-1-propene
1067	CH₂FCH₂OH	2-fluoroethanol
1068	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1069	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1070	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1071	CH₂FCH₂CH₃	1-Fluoropropane
1072	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1073	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1074	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
1075	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
1076	B₅H₉	pentaborane9
1077	C₅H₄	pentatetraene
1078	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1079	C₅H₆	Propellane	¹A₁	D_3h
1080	C₅H₈	1,3-Pentadiene, (Z)-	¹A^'	C_s
1081	C₅H₈	1-pentyne	¹A^'	C_s
1082	C₅H₈	Bicyclo[1.1.1]pentane
1083	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1084	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1085	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1086	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1087	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1088	C₄H₄N	pyrrolide radical	²A₂	C_2v
1089	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1090	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1091	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1092	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1093	C₄H₅N	Pyrrole	¹A₁	C_2v
1094	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1095	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1096	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1097	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1098	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1099	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1100	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1101	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1102	B₂O₃	diboron trioxide
1103	B₂O₃	diboron trioxide
1104	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1105	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1106	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1107	HOONO₂	peroxy nitric acid	¹A	C₁
1108	HSO₄^-	bisulfate anion	¹A^'	C_s
1109	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1110	CHOCOOH	oxo acetic acid	¹A^'	C_s
1111	CHOOCHO	diformyl ether
1112	H₂SeO₄	Selenic acid	¹A	C₂
1113	C₃H₃NO	Isoxazole	¹A^'	C_s
1114	C₃H₃NO	Oxazole	¹A^'	C_s
1115	C₃H₃NS	Thiazole
1116	H₃PO₄	Phosphoric Acid	¹A	C₃
1117	C₄H₄O	Furan	¹A₁	C₂
1118	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1119	C₄H₄Se	selenophene
1120	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1121	HOCHCCHOH	allenediol	¹A	C₂
1122	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1123	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1124	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1125	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1126	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1127	CH₂CHSCHCH₂	Divinyl sulfide
1128	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1129	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1130	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1131	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1132	C₄H₁₀O	1-Butanol	¹A^'	C_s
1133	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1134	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1135	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1136	C₄H₉SH	1-Butanethiol
1137	ClONO₂	Chlorine nitrate	¹A^'	C_s
1138	BrONO₂	Bromine nitrate	¹A^'	C_s
1139	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1140	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1141	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1142	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1143	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1144	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1145	CCl₄	Carbon tetrachloride	¹A₁	T_d
1146	CBrCl₂F	bromodichlorofluoromethane
1147	CF₃I	trifluoroiodomethane	¹A₁	C_3v
1148	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1149	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1150	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1151	CBr₂ClF	dibromochlorofluoromethane
1152	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1153	CCl₃I	trichloroiodomethane
1154	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1155	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1156	CBr₄	Carbon tetrabromide	¹A₁	T_d
1157	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1158	GeBr₄	Germanium tetrabromide
1159	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1160	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1161	SeF₄	Selenium tetrafluoride
1162	SCl₄	Sulfur tetrachloride
1163	HClO₄	perchloric acid	¹A	C_s
1164	CF₃OH	trifluoromethanol	¹A^'	C_s
1165	CH₂ClCCCl	1,3-dichloropropyne
1166	CHCl₂CCH	3,3-dichloropropyne
1167	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
1168	CHCl₂CHO	dichloroacetaldehyde
1169	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1170	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1171	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1172	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
1173	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1174	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1175	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1176	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1177	CH₂FCH₂CH₂F	1,3-difluoropropane
1178	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1179	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1180	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1181	C₂H₂N₂O	Furazan
1182	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1183	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1184	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1185	C₆H₅^-	phenyl anion	¹A₁	C_2v
1186	C₆H₆	Prismane
1187	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1188	C₆H₆	Benzene	¹A_1g	D_6h
1189	C₆H₆	Benzvalene	¹A₁	C_2v
1190	C₆H₆	Dewar Benzene
1191	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1192	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1193	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1194	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1195	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1196	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1197	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1198	C₆H₁₂	(E)-2-Hexene	¹A	C₁
1199	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1200	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1201	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1202	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1203	C₆H₁₂	hex-1-ene	¹A^'	C_s
1204	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1205	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1206	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1207	C₆H₁₀	Bicyclo[3.1.0]hexane	¹A^'	C_s
1208	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1209	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1210	C₃H₂O₃	vinylene carbonate
1211	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1212	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1213	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1214	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1215	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1216	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1217	C₅H₆O	2H-Pyran
1218	C₅H₆O	2-methylfuran	¹A^'	C_s
1219	C₅H₆O	3-Methylfuran	¹A^'	C_s
1220	C₅H₆O	Pentadienal
1221	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1222	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1223	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1224	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1225	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1226	C₃H₇ONO	Propyl nitrite	¹A	C₁
1227	C₅H₈O	Cyclopentanone	¹A	C₂
1228	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1229	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1230	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1231	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1232	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1233	C₄F₂	difluorobutadiyne
1234	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1235	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1236	C₂ClF₃	Ethene, chlorotrifluoro-
1237	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1238	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1239	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1240	C₂Br₄	tetrabromoethene
1241	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1242	SiF₅^-	silicon pentafluoride anion
1243	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1244	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1245	SF₅	Sulfur pentafluoride	²A₁	C_4v
1246	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1247	IF₅	pentafluoroiodine
1248	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
1249	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
1250	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1251	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1252	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
1253	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1254	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1255	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1256	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1257	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1258	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1259	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1260	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1261	C₄H₈O₂	Butanoic acid	¹A	C₁
1262	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1263	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1264	C₇H₁₄	cycloheptane	¹A	C₂
1265	CH(CN)₃	tricyanomethane
1266	HN=C=C(CN)₂	Dicyanoketenimine
1267	C₆H₁₅N	triethylamine	¹A	C₃
1268	C₅H₄O₂	furfural	¹A^'	OCCO cis
1269	C₅H₄O₂	furfural	¹A^'	OCCO trans
1270	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1271	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1272	C₅H₈O₂	Acetylacetone	¹A	C₂
1273	C₇H₁₀	Norbornene
1274	C₆H₁₂O	Oxepane
1275	C₃H₇OC₃H₇	di-n-propyl ether	¹A₁	C_2v
1276	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
1277	F₂CCCF₂	tetrafluoroallene
1278	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1279	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1280	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1281	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1282	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1283	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1284	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1285	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1286	C₈H₆	Calicene	¹A₁	C_2v
1287	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1288	C₈H₆	Pentalene	¹A_g	C_2h
1289	C₈H₈	cubane	¹A_1G	O_h
1290	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1291	C₈H₁₆	cyclooctane	¹A₁	D_4d
1292	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1293	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1294	S₄N₄	Tetrasulfur tetranitride
1295	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1296	C₅H₉NO₂	Proline	¹A	C₁
1297	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1298	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1299	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1300	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
1301	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h
1302	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1303	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1304	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1305	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1306	C₆H₄Cl₂	1,4-dichlorobenzene
1307	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1308	C₉H₈	Indene	¹A^'	C_s
1309	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1310	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1311	C₉H₂₀	Nonane	¹A₁	C_2v
1312	C(CN)₄	tetracyanomethane	¹A₁	T_d
1313	C₅H₄N₄	purine	¹A	C_s
1314	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1315	CH₃COC₆H₅	acetophenone	¹A	C₁
1316	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	¹A₁^'	D_3h
1317	C₃F₆	hexafluoropropene
1318	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1319	C₈H₁₈O	1-Octanol
1320	C₁₀H₈	Azulene	¹A₁	C_2v
1321	C₁₀H₈	naphthalene	¹A_g	D_2h
1322	C₁₀H₁₀	bullvalene
1323	C₆N₄	Tetracyanoethylene	¹A_G	D_2h
1324	C₁₀H₂₂	Decane	¹A_G	C_2h
1325	C₄F₆	perfluorobutadiene	¹A_g	C_2h
1326	C₄F₆	perfluorobutadiene	¹A	C₂
1327	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1328	C₁₂H₈	biphenylene	¹A_g	D_2h
1329	C₁₂H₁₀	Heptalene	¹A	C₂
1330	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
1331	S₂F₁₀	disulphur decafluoride
1332	C₁₃H₁₀	Fluorene
1333	C₁₄H₁₄	Bibenzyl	¹A	C₂
1334	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1335	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1336	C₁₆H₁₀	Pyrene	¹A_g	D_2h
1337	C₁₉H₁₆	Triphenylmethane	¹A	C₃
1338	C₂₄H₁₂	Coronene	¹A_1G	D_6h
1339	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	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	HD	Deuterium hydride	hd
7	H₃⁺	hydrogen trimer cation	h3+
8	He^-	Helium atom anion	he-
9	HeH	Helium hydride	heh
10	Na^-	Sodium atom anion	na-
11	K^-	Potassium atom anion	k-
12	K⁺	Potassium atom cation	k+
13	Cu	Copper atom	cu
14	Cu^-	Copper atom anion	cu-
15	Cu⁺	Copper atom cation	cu+
16	LiH^-	lithium hydride anion	lih-
17	NaH^-	sodium hydride anion	nah-
18	CuH	Copper monohydride	cuh
19	Be^-	Beryllium atom anion	be-
20	Mg^-	Magnesium atom anion	mg-
21	Ca	Calcium atom	ca
22	Ca^-	Calcium atom anion	ca-
23	Ca⁺	Calcium atom cation	ca+
24	Zn	Zinc atom	zn
25	Zn^-	Zinc atom anion	zn-
26	Zn⁺	Zinc atom cation	zn+
27	BeH^-	berylium monohydride anion	beh-
28	BeH⁺	beryllium monohydride cation	beh+
29	MgH^-	magnesium monohydride anion	mgh-
30	MgH⁺	magnesium monohydride cation	mgh+
31	ZnH	Zinc monohydride	znh
32	CaH₂	Calcium Hydride	cah2
33	ZnH₂	Zinc hydride	znh2
34	B^-	Boron atom anion	b-
35	BH^-	boron monohydride anion	bh-
36	BH⁺	boron monohydride cation	bh+
37	AlH	aluminum monohydride	alh
38	AlH^-	aluminum monohydride anion	alh-
39	AlH⁺	aluminum monohydride cation	alh+
40	BH₂	boron dihydride	bh2
41	AlH₂	aluminum dihydride	alh2
42	AlH₂^-	aluminum dihydride anion	alh2-
43	AlH₂⁺	aluminum dihydride cation	alh2+
44	BH₃^-	boron trihydride anion	bh3-
45	AlH₃⁺	aluminum trihydride cation	alh3+
46	AlH₄^-	Aluminum tetrahydride anion	alh4-
47	C^-	Carbon atom anion	c-
48	Ti	Titanium atom	ti
49	Ti^-	Titanium atom anion	ti-
50	Ti⁺	Titanium atom cation	ti+
51	Sn	Tin atom	sn
52	Sn⁺	Tin cation	sn+
53	CH^-	methylidyne anion	ch-
54	CH⁺	Methylidyne cation	ch+
55	SiH₂^-	silicon dihydride anion	sih2-
56	SiH₂⁺	silicon dihydride cation	sih2+
57	SiH₃^-	Silyl anion	sih3-
58	CH₄⁺	Methane cation	ch4+
59	SiH₄⁺	Silane cation	sih4+
60	SnH₄	Stannane	snh4
61	N^-	Nitrogen atom anion	n-
62	P^-	Phosphorus atom anion	p-
63	P⁺	Phosphorus atom cation	p+
64	Sb	Antimony atom	sb
65	NH	Imidogen	nh
66	NH^-	Imidogen anion	nh-
67	NH⁺	imidogen cation	nh+
68	PH^-	phosphorus monohydride anion	ph-
69	PH⁺	phosphorus monohydride cation	ph+
70	SbH	Antimony monohydride	sbh
71	ND₂	Amidogen-d2	nd2
72	NH₂^-	amino anion	nh2-
73	PH₂	Phosphino radical	ph2
74	PH₂^-	Phosphino anion	ph2-
75	PH₂⁺	Phosphino cation	ph2+
76	AsH₂	Arsenic dihydride	ash2
77	ND₃	Ammonia-d3	nd3
78	SbH₃	Stibine	sbh3
79	O^-	Oxygen atom anion	o-
80	Cr	Chromium atom	cr
81	Te	Tellurium atom	te
82	Te⁺	Tellurium atom cation	te+
83	DO	Hydroxyl-d	od
84	DS	Mercapto-d	ds
85	TeH	Telluryl radical	teh
86	D₂O	Deuterium oxide	d2o
87	D₂S	Hydrogen sulfide-d2	d2s
88	H₂Te	Hydrogen Telluride	h2te
89	Mn	Manganese atom	mn
90	I	Iodine atom	iodine
91	I^-	Iodine atom anion	iodine-
92	I⁺	Iodine atom cation	iodine+
93	DF	Hydrofluoric acid-d	df
94	DCl	Hydrochloric acid-d	dcl
95	HI	Hydrogen iodide	hi
96	H₂F⁺	dihydrogen fluoride cation	h2f+
97	Ne^-	Neon atom anion	ne-
98	Ar^-	Argon atom anion	ar-
99	Ar⁺	Argon atom cation	ar+
100	Fe	Iron atom	fe
101	Xe	Xenon atom	xe
102	NeH⁺	neon hydrogen cation	neh+
103	XeH⁺	Xenon, protonated	xeh+
104	Co	Cobalt atom	cobalt
105	Ni	Nickel atom	ni
106	Li₂^-	lithium diatomic anion	li2-
107	Li₂⁺	lithium diatomic cation	li2+
108	NaLi^-	lithium sodium anion	lina-
109	NaLi⁺	lithium sodium cation	lina+
110	Cu₂	Copper diatomic	cu2
111	Be₂^-	Beryllium diatomic anion	be2-
112	Be₂⁺	Beryllium diatomic cation	be2+
113	Mg₂^-	magnesium diatomic anion	mg2-
114	Mg₂⁺	magnesium diatomic cation	mg2+
115	B₂^-	Boron diatomic anion	b2-
116	Al₂	Aluminum diatomic	al2
117	Al₂^-	aluminum diatomic anion	al2-
118	Al₂⁺	aluminum diatomic cation	al2+
119	BC^-	boron monocarbide anion	bc-
120	BC⁺	boron monocarbide cation	bc+
121	C₂^-	carbon diatomic anion	c2-
122	SiC^-	silicon monocarbide anion	sic-
123	SiC⁺	silicon monocarbide cation	sic+
124	Si₂	Silicon diatomic	si2
125	Si₂^-	silcon diatomic anion	si2-
126	Si₂⁺	silcon diatomic cation	si2+
127	C₂H⁺	Ethynyl cation	c2h+
128	ZnCH₂	Zinc methylene	znch2
129	CCH₂	vinylidene	vinylidene
130	CuCH₃	monomethyl copper	cuch3
131	ZnCH₃	Zinc monomethyl	znch3
132	CH₃CH	methylmethylene	ch3ch
133	CH₂SiH₂	silaethylene	ch2sih2
134	C₂H₅⁺	Ethyl cation	c2h5+
135	CH₃SiH₃	methyl silane	ch3sih3
136	LiN⁺	Lithium Nitride cation	lin+
137	BeN^-	Beryllium mononitride anion	ben-
138	BN^-	boron nitride anion	bn-
139	AlN^-	aluminum mononitride anion	aln-
140	AlN⁺	aluminum mononitride cation	aln+
141	BN⁺	boron nitride cation	bn+
142	AlN	Aluminum nitride	aln
143	CN⁺	Cyano cation	cn+
144	CP	Carbon monophosphide	cp
145	CP^-	carbon monophosphide anion	cp-
146	CP⁺	carbon monophosphide cation	cp+
147	SiN	Silicon nitride	sin
148	SiN^-	silicon mononitride anion	sin-
149	SiN⁺	silicon mononitride cation	sin+
150	SiP^-	Silicon monophosphide anion	sip-
151	SiP⁺	Silicon monophosphide cation	sip+
152	TiN	Titanium mononitride	tin
153	PN^-	phosphorus nitride anion	pn-
154	PN⁺	phosphorus nitride cation	pn+
155	P₂^-	phosphorus diatomic anion	p2-
156	P₂⁺	phosphorus diatomic cation	p2+
157	SbN	Antimony nitride	sbn
158	As₂	Arsenic diatomic	as2
159	HNB	hydrogen nitrogen boron	hnb
160	HNC	hydrogen isocyanide	hnc
161	HCN^-	Hydrogen cyanide anion	hcn-
162	HCP	Phosphaethyne	hcp
163	NNH	Dinitrogen monohydride	nnh
164	HPO	Hydrogen phosphorus oxide	hpo
165	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
166	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
167	H₂CN⁺	hydrocyanonium cation	h2cn+
168	HCNH⁺	N-protonated HCN	hcnh+
169	P₂H₄	Diphosphine	p2h4
170	CH₃PH₂	Methyl phosphine	ch3ph2
171	CH₃NH₃⁺	protonated methylamine	ch3nh3+
172	LiO^-	lithium oxide anion	lio-
173	LiO⁺	lithium oxide cation	lio+
174	NaO^-	sodium oxide anion	nao-
175	NaO⁺	sodium oxide cation	nao+
176	CuO	Copper Monoxide	cuo
177	BeO^-	Beryllium monoxide anion	beo-
178	BeS	beryllium sulfide	bes
179	MgO	magnesium oxide	mgo
180	MgO^-	magnesium oxide anion	mgo-
181	MgO⁺	magnesium oxide cation	mgo+
182	MgS	magnesium sulfide	mgs
183	MgS^-	magnesium sulfide anion	mgs-
184	MgS⁺	magnesium sulfide cation	mgs+
185	ZnO	zinc monoxide	zno
186	ZnS	Zinc sulfide	zns
187	BeS^-	Beryllium monosulfide anion	bes-
188	BeS⁺	Beryllium monosulfide cation	bes+
189	BO^-	boron monoxide anion	bo-
190	AlO	Aluminum monoxide	alo
191	AlO^-	Aluminum monoxide anion	alo-
192	AlO⁺	aluminum monoxide cation	alo+
193	BS	boron sulfide	bs
194	BS^-	boron monosulfide anion	bs-
195	BS⁺	boron monosulfide cation	bs+
196	AlS	Aluminum sulfide	als
197	AlS^-	aluminum monosulfide anion	als-
198	AlS⁺	aluminum monosulfide cation	als+
199	BO⁺	boron monoxide cation	bo+
200	CS	carbon monosulfide	cs
201	CS^-	carbon monosulfide anion	cs-
202	CS⁺	carbon monosulfide cation	cs+
203	SiO^-	silicon monoxide anion	sio-
204	SiO⁺	silicon monoxide cation	sio+
205	SiS^-	silicon monosulfide anion	sis-
206	SiS⁺	silicon monosulfide cation	sis+
207	CSe^-	Carbon monoselenide anion	cse-
208	CSe⁺	Carbon monoselenide cation	cse+
209	NS⁺	nitrogen sulfide cation	ns+
210	PO^-	phosphorus monoxide anion	po-
211	PO⁺	phosphorus monoxide cation	po+
212	PS^-	phosphorus monosulfide anion	ps-
213	PS⁺	phosphorus monosulfide cation	ps+
214	AsO	Arsenic monoxide	aso
215	SO^-	sulfur monoxide anion	so-
216	S₂^-	sulfur diatomic anion	s2-
217	S₂⁺	sulfur diatomic cation	s2+
218	SeO^-	selenium monoxide anion	seo-
219	SeO⁺	selenium monoxide cation	seo+
220	SeS	Selenium monosulfide	ses
221	SeS^-	selenium monosulfide anion	ses-
222	SeS⁺	selenium monosulfide cation	ses+
223	TeO	Tellurium monoxide	teo
224	Se₂^-	selenium diatomic anion	se2-
225	Se₂⁺	selenium diatomic cation	se2+
226	Te₂	Tellurium diatomic	te2
227	NaOH	sodium hydroxide	naoh
228	MgOH	magnesium hydroxide	mgoh
229	CaOH	Calcium monohydroxide	caoh
230	HCS	Thioformyl radical	hcs
231	HCS^-	Thioformyl anion	hcs-
232	HCS⁺	Thioformyl cation	hcs+
233	HNO^-	Nitrosyl hydride anion	hno-
234	HNS	Sulfur imide	hns
235	HO₂^-	Hydroperoxy anion	ho2-
236	CH₃O	Methoxy radical	ch3o
237	CH₃S	thiomethoxy	ch3s
238	CH₃SeH	Methane selenol	ch3seh
239	H₂ONH₃	Water Ammonia Dimer	h2onh3
240	LiCl^-	lithium chloride anion	licl-
241	LiCl⁺	lithium chloride cation	licl+
242	NaF^-	sodium fluoride anion	naf-
243	KF	Potassium Fluoride	kf
244	NaCl^-	sodium chloride anion	nacl-
245	NaCl⁺	sodium chloride cation	nacl+
246	KCl	Potassium Chloride	kcl
247	CuF	Copper monofluoride	cuf
248	LiBr^-	lithium bromide anion	libr-
249	LiBr⁺	lithium bromide cation	libr+
250	CuCl	Copper monochloride	cucl
251	NaBr	Sodium Bromide	nabr
252	NaBr^-	sodium bromide anion	nabr-
253	NaBr⁺	sodium bromide cation	nabr+
254	KBr	Potassium Bromide	kbr
255	KI	Potassium Iodide	ki
256	LiF^-	lithium fluoride anion	lif-
257	BeF	Beryllium monofluoride	bef
258	BeF⁺	Beryllium monofluoride cation	bef+
259	BeCl	beryllium monochloride	becl
260	MgF	Magnesium monofluoride	mgf
261	MgF^-	magnesium fluoride anion	mgf-
262	CaF	Calcium monofluoride	caf
263	MgCl	magnesium monochloride	mgcl
264	MgCl^-	magnesium monochloride anion	mgcl-
265	MgCl⁺	magnesium monochloride cation	mgcl+
266	CaCl	calcium monochloride	cacl
267	ZnF^-	Zinc monofluoride anion	znf-
268	ZnF⁺	Zinc monofluoride cation	znf+
269	ZnCl	Zinc monochloride	zncl
270	BeCl^-	beryllium monochloride anion	becl-
271	BeCl⁺	beryllium monochloride cation	becl+
272	BF^-	Boron monofluoride anion	bf-
273	BF⁺	Boron monofluoride cation	bf+
274	AlF^-	Aluminum monofluoride anion	alf-
275	AlF⁺	Aluminum monofluoride cation	alf+
276	BCl	boron monochloride	bcl
277	BCl^-	boron monochloride anion	bcl-
278	BCl⁺	boron monochloride cation	bcl+
279	AlCl^-	aluminum monochloride anion	alcl-
280	AlCl⁺	aluminum monochloride cation	alcl+
281	AlI	Aluminum monoiodide	ali
282	CF^-	carbon monofluoride anion	cf-
283	CF⁺	carbon monofluoride cation	cf+
284	CCl	carbon monochloride	ccl
285	CCl^-	carbon monochloride anion	ccl-
286	CCl⁺	carbon monochloride cation	ccl+
287	SiCl^-	silicon monochloride anion	sicl-
288	SiCl⁺	silicon monochloride cation	sicl+
289	NF	nitrogen fluoride	nf
290	NF^-	nitrogen monofluorine anion	nf-
291	NF⁺	nitrogen monofluoirde cation	nf+
292	NCl^-	nitrogen monochloride anion	ncl-
293	NCl⁺	nitrogen monochloride cation	ncl+
294	PF	phosphorus monofluoride	pf
295	PF^-	phosphorus monofluoride anion	pf-
296	PF⁺	phosphorus monofluoride cation	pf+
297	PCl	phosphorus chloride	pcl
298	PCl^-	phosphorus monochloride anion	pcl-
299	PCl⁺	phosphorus monochloride cation	pcl+
300	SbF	Antimony monofluoride	sbf
301	SbCl	Antimony monochloride	sbcl
302	FO^-	flourine oxide anion	fo-
303	FO⁺	fluorine monoxide cation	fo+
304	ClO^-	chlorine monoxide anion	clo-
305	SF^-	sulfur monofluoride anion	sf-
306	SCl^-	sulfur monochloride anion	scl-
307	IO	Iodine monoxide	io
308	ClF^-	clorine monofluoride anion	clf-
309	BrF^-	bromine fluoride anion	brf-
310	BrF⁺	bromine fluoride cation	brf+
311	BrCl^-	bromine chloride anion	brcl-
312	BrCl⁺	bromine chloride cation	brcl+
313	I₂	Iodine diatomic	i2
314	DOCl	Hypochlorous acid-d	docl
315	HOI	Hypoiodous acid	hoi
316	FHF	Hydrogen difluoride	fhf
317	NH₂F	monofluoroamine	nh2f
318	H₂F₂	Hydrogen fluoride dimer	h2f2
319	CH₃I	methyl iodide	ch3i
320	SiH₃I	Silyl Iodide	sih3i
321	C₃⁺	carbon trimer cation	c3+
322	C₃H₃	Propargyl radical	propargyl
323	C₃H₃^-	Propargyl anion	c3h3-
324	C₃H₃⁺	cyclopropenyl cation	cpr+
325	C₃H₃⁺	Propargyl cation	c3h3+
326	Zn(CH₃)₂	dimethyl zinc	dmz
327	SiH₂(CH₃)₂	dimethylsilane	dms
328	CuCN	Copper cyanide	cucn
329	N₃^-	azide anion	n3-
330	HCNN	diazomethyl radical	hcnn
331	CH₂N₂	diazirine	ch2n2
332	CH₂NN	diazomethane	ch2nn
333	CH₃NC	methyl isocyanide	ch3nc
334	NHCHNH₂	aminomethanimine	cn2h4
335	C₂H₅N	Aziridine	c2h5n
336	CH₂CHNH₂	aminoethene	aminoethene
337	CH₂NCH₃	N-methylmethanimine	nmm
338	NH₂BHNH₂	diaminoborane	nh2bhnh2
339	CH₃NHCH₃	Dimethylamine	ch3nhch3
340	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
341	CNO^-	fulminate	cno-
342	NCO^-	cyanate	nco-
343	SCN	thiocyanato radical	scn
344	SCN^-	thiocyanide anion	scn-
345	BO₂	Boron dioxide	bo2
346	BO₂^-	Boron dioxide anion	bo2-
347	BO₂⁺	Boron dioxide cation	bo2+
348	N₂O⁺	Nitrous oxide cation	n2o+
349	CO₂^-	Carbon dioxide anion	co2-
350	OCS⁺	Carbonyl sulfide cation	cos+
351	SiO₂	silicon dioxide	sio2
352	CS₂⁺	Carbon disulfide cation	cs2+
353	SCTe	Carbon sulfide Telluride	scte
354	NO₂^-	Nitrogen dioxide anion	no2-
355	PO₂	Phosphorus dioxide	po2
356	PO₂^-	Phosphorus dioxide anion	po2-
357	PO₂⁺	Phosphorus dioxide cation	po2+
358	O₃^-	Ozone anion	o3-
359	O₃⁺	Ozone cation	o3+
360	SO₂^-	Sulfur dioxide anion	so2-
361	SO₂⁺	Sulfur dioxide cation	so2+
362	TeO₂	Tellurium Dioxide	teo2
363	CS₂H⁺	Carbon disulfide, protonated	cs2h+
364	HNCO	Isocyanic acid	hnco
365	HOCN	cyanic acid	hocn
366	HCO₂^-	formate anion	hco2-
367	HNNO	nitrosoazane	hnno
368	HOCO⁺	Hydrocarboxyl cation	hoco+
369	HNO₂	Nitrous acid	hno2
370	HNO₂⁺	nitrous acid cation	hno2+
371	CH₂CO⁺	Ketene cation	ch2co+
372	HCCOH	ethynol	hccoh
373	CH₂O₂	Dioxirane	diox
374	CH₂CHO	Vinyloxy radical	ch2cho
375	CH₃CO	Acetyl radical	ch3co
376	CH₃CO^-	Acetyl anion	ch3co-
377	CH₃CO⁺	acetyl cation	ch3co+
378	CH₂OOH	CH2OOH radical	ch2ooh
379	CH₃OO	methylperoxy radical	ch3oo
380	CH₃OO^-	methylperoxy anion	ch3oo-
381	CH₃OO⁺	methylperoxy cation	ch3oo+
382	CH₂CHOH	ethenol	ch2choh
383	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
384	CH₃OOH	Methyl peroxide	ch3ooh
385	H₂OH₂CO	water formaldehyde dimer	h2oh2co
386	CH₃OHH₂O	methanol water dimer	ch3ohh2o
387	H₂OCH₃OH	water methanol dimer	h2och3oh
388	ZnF₂	Zinc difluoride	znf2
389	FCN	Cyanogen fluoride	fcn
390	ClCN	chlorocyanogen	clcn
391	MgCl₂	Magnesium dichloride	mgcl2
392	ZnCl₂	Zinc dichloride	zncl2
393	CaF₂	Calcium difluoride	caf2
394	BrNO	Nitrosyl bromide	brno
395	INO	Nitrosyl iodide	ino
396	CF₂^-	Difluoromethylene anion	cf2-
397	CF₂⁺	Difluoromethylene cation	cf2+
398	CCl₂	dichloromethylene	ccl2
399	CCl₂^-	dichloromethylene anion	ccl2-
400	CCl₂⁺	dichloromethylene cation	ccl2+
401	SiCl₂	Dichlorosilylene	sicl2
402	FOO	Dioxygen monofluoride radical	foo
403	ClOO	chloroperoxy radical	cloo
404	ClOO⁺	chloroperoxy cation	cloo+
405	OClO⁺	Chlorine dioxide cation	oclo+
406	ClS₂	Sulfur chloride	cls2
407	NF₂	Difluoroamino radical	nf2
408	NF₂⁺	Difluoroamino cation	nf2+
409	F₂O	Difluorine monoxide	f2o
410	SF₂⁺	sulfur difluoride cation	sf2+
411	Cl₂O	Dichlorine monoxide	cl2o
412	BrOCl	Bromine hypochlorite	brocl
413	BrOBr	Bromine oxide	brobr
414	I₃^-	triiodide	i3-
415	HCCF⁺	fluoroacetylene cation	hccf+
416	HFCO	formyl fluoride	hfco
417	COHCl	Formyl chloride	cohcl
418	COHBr	Formyl bromide	cohbr
419	BHF₂	Difluoroborane	bhf2
420	BHCl₂	Borane, dichloro-	bhcl2
421	HOClO	Chlorous acid	hoclo
422	CH₂FCl	fluorochloromethane	ch2fcl
423	CH₂ClI	chloroiodomethane	ch2cli
424	CH₂BrI	bromoiodomethane	ch2bri
425	CH₂CHF⁺	fluoroethene cation	ch2chf+
426	C₂H₃Cl	Ethene, chloro-	ch2chcl
427	C₂H₃Br	vinyl bromide	c2h3br
428	C₂H₃I	Vinyl iodide	c2h3i
429	C₂H₅F	fluoroethane	c2h5f
430	CH₃CH₂Cl	Ethyl chloride	c2h5cl
431	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
432	XeF₂	Xenon difluoride	xef2
433	C₄⁺	Carbon tetramer cation	c4+
434	C₂H₃CCH	1-Buten-3-yne	c2h3cch
435	H₂CCCCH₂	Butatriene	h2cccch2
436	C₄H₆	Cyclobutene	c822355
437	C₄H₆	Methylenecyclopropane	c6142730
438	CH₂CCHCH₃	1,2-Butadiene	butad12
439	CH₃CCCH₃	2-Butyne	c503173
440	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
441	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
442	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
443	B(CH₃)₃	trimethylborane	bme3
444	Al(CH₃)₃	trimethyl aluminum	tma
445	C(CH₃)₃	Tert-butyl radical	tbutyl
446	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
447	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
448	CH₃CH(CH₃)CH₃	Isobutane	isobutane
449	SiH(CH₃)₃	trimethylsilane	trimsi
450	C₂N₂⁺	Cyanogen cation	c2n2+
451	P₄	Phosphorus tetramer	p4
452	HCCCN	Cyanoacetylene	hcccn
453	C₃H₃N	acrylonitrile	ch2chcn
454	C₃H₇N	Cyclopropylamine	cpram
455	C₃H₇N	Azetidine	azet
456	C₂H₈N₂	Ethylenediamine	ethdiam
457	CH₃NHNHCH₃	dimethyl hydrazine	dmh
458	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
459	N(CH₃)₃	Trimethylamine	trimeam
460	As(CH₃)₃	trimethyl arsine	tmas
461	Li₂O₂	dilithium dioxide	li2o2
462	Na₂O₂	disodium dioxide	na2o2
463	B₂O₂	Diboron dioxide	b2o2
464	CO₃	Carbon trioxide	co3
465	CO₃^--	carbonate	co3--
466	NO₃	Nitrogen trioxide	no3
467	SO₃^-	Sulfur trioxide anion	so3-
468	SO₃⁺	Sulfur trioxide cation	so3+
469	TeO₃	Tellurium trioxide	teo3
470	HCO₃^-	bicarbonate anion	hco3-
471	C₂H₂CO	cyclopropenone	c2h2co
472	HCCCHO	2-propynal	hcccho
473	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
474	H₂CS₃	thiocarbonic acid	h2cs3
475	CH₃COO^-	acetate anion	ch3coo-
476	CH₃ONO	Methyl nitrite	ch3ono
477	H₃BO₃	Boric acid	h3bo3
478	C₃H₄O	2-Propyn-1-ol	c107197
479	C₃H₄O	allenol	c9000071
480	C₃H₄O	Cyclopropanone	cpone
481	C₃H₄O	Methylketene	c6004440
482	NH₂CONH₂⁺	Urea cation	urea+
483	NH₂CSNH₂	Thiourea	thiourea
484	C₂H₄O₂	1,3-dioxetane	c2h4o2
485	CH₃COOH	Acetic acid	ch3cooh
486	CH₃OCHO	methyl formate	ch3ocho
487	CHOCH₂OH	hydroxy acetaldehyde	haa
488	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
489	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
490	HCOOHH₂O	Formic acid water dimer	hcoohh2o
491	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
492	CH₃CONH₂	Acetamide	acetamide
493	C₃H₆O	Propylene oxide	prox
494	C₃H₆S	Thietane	thietane
495	C₃H₆S	Thiirane, methyl-	methiirane
496	C₂H₆O₂	1,2-Ethanediol	ethdiol
497	CH₃OOCH₃	dimethylperoxide	dmp
498	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
499	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
500	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
501	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
502	C₃H₇SH	1-Propanethiol	prsh
503	CH₃CHSHCH₃	2-Propanethiol	isoprsh
504	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
505	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
506	Na₂F₂	Sodium Fluoride Dimer	na2f2
507	Na₂Cl₂	Disodium dichloride	na2cl2
508	C₂F₂	difluoroacetylene	c2f2
509	C₂Cl₂	dichloroacetylene	c2cl2
510	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
511	ClNO₂	Nitryl chloride	clno2
512	BrONO	Bromine nitrite	brono
513	N₂F₂	(Z)-Difluorodiazene	n2f2_z
514	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
515	COFCl	Carbonic chloride fluoride	cofcl
516	CCl₂O	Phosgene	cl2co
517	COBr₂	Carbonic dibromide	cobr2
518	BF₃^-	Borane, trifluoro- anion	bf3-
519	AlF₂Cl	Aluminum chloride difluoride	alclf2
520	AlFCl₂	Aluminum dichloride fluoride	alcl2f
521	AlCl₃	Aluminum trichloride	alcl3
522	AlBr₃	Aluminum Bromide	albr3
523	ClO₃	Chlorine trioxide	clo3
524	ClO₃^-	chlorate anion	clo3-
525	BrO₃^-	Bromate anion	bro3-
526	CF₃	Trifluoromethyl radical	cf3
527	CCl₃	Trichloromethyl radical	ccl3
528	CCl₃^-	Trichloromethyl anion	ccl3-
529	CCl₃⁺	Trichloromethyl cation	ccl3+
530	SiCl₃	trichlorosilyl radical	sicl3
531	SiCl₃⁺	trichlorosilyl cation	sicl3+
532	FSSF	Difluorodisulfane	fssf
533	S₂F₂	Thio-thionyl fluoride	s2f2
534	SOCl₂	thionyl chloride	socl2
535	SeOCl₂	selenium oxychloride	seocl2
536	NF₃^-	Nitrogen trifluoride anion	nf3-
537	NF₃⁺	Nitrogen trifluoride cation	nf3+
538	PF₃	Phosphorus trifluoride	pf3
539	AsF₃	Arsenic trifluoride	asf3
540	PCl₃	Phosphorus trichloride	pcl3
541	SbF₃	Antimony Trifluoride	sbf3
542	SbCl₃	Antimony Trichloride	sbcl3
543	AsBr₃	Arsenic tribromide	asbr3
544	ClSSCl	Disulfur dichloride	s2cl2
545	BrF₃	Bromine trifluoride	brf3
546	IF₃	iodone trifluoride	if3
547	CHF₂Cl	difluorochloromethane	chf2cl
548	CHFCl₂	fluorodichloromethane	chfcl2
549	SiHCl₃	Trichlorosilane	sihcl3
550	CHF₂I	difluoroiodomethane	chf2i
551	CHFClI	fluorochloroiodomethane	chfcli
552	CHCl₂I	dichloroiodomethane	chcl2i
553	CHClBr₂	Methane, dibromochloro-	chclbr2
554	CHBr₃	bromoform	chbr3
555	CHI₃	Iodoform	chi3
556	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
557	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
558	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
559	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
560	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
561	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
562	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
563	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
564	CH₃COF	Acetyl fluoride	ch3cof
565	CH₃COCl	Acetyl Chloride	ch3cocl
566	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
567	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
568	CH₂CFCH₃	2-fluoropropene	2fpro
569	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
570	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
571	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
572	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
573	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
574	C₅H₅^-	cylopentadienyl anion	c5h5-
575	C₅H₆	1,3-Cyclopentadiene	c542927
576	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
577	C₅H₆	3-Penten-1-yne, (E)-	c2004695
578	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
579	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
580	C₅H₆	Cyclopropylacetylene	c6746947
581	C₅H₇	1,3-pentadienyl radical	pdyl
582	C₅H₇	cyclopentenyl radical	cpyl
583	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
584	C₅H₈	1,2-Pentadiene	c591957
585	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
586	C₅H₈	1,3-Pentadiene, (E)-	c2004708
587	C₅H₈	1,4-Pentadiene	c591935
588	C₅H₈	2,3-Pentadiene	c591968
589	C₅H₈	Cyclobutane, methylene-	c1120565
590	C₅H₈	Cyclopentene	c142290
591	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
592	C₅H₁₀	1-Butene, 2-methyl-	c563462
593	C₅H₁₀	2-Butene, 2-methyl-	c513359
594	C₅H₁₀	2-Pentene, (E)-	c646048
595	C₅H₁₀	2-Pentene, (Z)-	c627203
596	C₅H₁₀	Cyclopentane	c287923
597	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
598	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
599	C₅H₁₂	Butane, 2-methyl-	buta2
600	C₅H₁₂	Pentane	pentane
601	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
602	Si(CH₃)₄	tetramethylsilane	tms
603	N₂O₃	Dinitrogen trioxide	n2o3
604	C₃H₂N₂	Malononitrile	c3h2n2
605	C₂H₃N₃	1H-1,2,4-Triazole	c288880
606	C₃H₄N₂	1H-Pyrazole	1hpyraz
607	C₄H₅N	(E)-2-Butenenitrile	c627269
608	C₄H₅N	(Z)-2-Butenenitrile	c1190767
609	C₄H₅N	2H-pyrrole	pyrrole2
610	C₄H₅N	3H-pyrrole	pyrrole3
611	C₄H₅N	Cyclopropanecarbonitrile	c5500210
612	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
613	C₃H₆N₂	3-Aminopropionitrile	c151188
614	C₅H₈	Bicyclo[2.1.0]pentane	c185944
615	C₅H₈	Spiropentane	c157404
616	C₄H₉N	Cyclobutylamine	cbam
617	C₄H₉N	Pyrrolidine	pyrrolidine
618	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
619	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
620	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
621	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
622	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
623	C₃O₂⁺	Carbon suboxide cation	c3o2+
624	CaCO₃	Calcium Carbonate	caco3
625	PO₄^---	phosphate	po4---
626	SO₄^--	sulfate	so4--
627	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
628	H₂SO₄	Sulfuric acid	h2so4
629	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
630	CH₃NO₃	Methyl nitrate	ch3no3
631	C₄H₄O⁺	Furan cation	furan+
632	C₄H₄S	Thiophene	furans
633	C₃H₄O₂	β–Propiolactone	beta
634	C₃H₄O₂	2-Propenoic acid	propenoic2
635	C₃H₄O₂	propanedial	propanedial
636	C₃H₄O₂	propenalol	propenalol
637	C₂H₄O₃	trioxolane124	triox
638	HOCH₂COOH	Hydroxyacetic acid	hac
639	CH₂CHCONH₂	Acrylamide	c79061
640	CH₅N₃S	Hydrazinecarbothioamide	c79196
641	H₂NCH₂COOH	Glycine	glycine
642	C₄H₆O	cis-2-butenal	butenal2c
643	C₄H₆O	Cyclobutanone	cbutone
644	C₄H₆O	Furan, 2,3-dihydro-	furan23h
645	C₄H₆O	Furan, 2,5-dihydro-	furan25h
646	CHOCHCHCH₃	2-Butenal	butenal2
647	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
648	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
649	C₂H₆N₂O	Urea, methyl-	c598505
650	C₃H₆O₂	1,3-Dioxolane	dioxolane
651	CH₃COOCH₃	methyl acetate	aame
652	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
653	C₃H₇NO	dimethylformamide	dmf
654	C₃H₇NO	Propanamide	propanam
655	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
656	C₄H₈O	Cyclobutanol	c2919235
657	C₄H₈O	Furan, tetrahydro-	thf
658	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
659	CH₃COCH₂CH₃	2-Butanone	buta2one
660	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
661	CHOCH₂CH₂CH₃	Butanal	butanal
662	C₃H₈O₂	1,3-Propanediol	c504632
663	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
664	C₃H₈O₂	Methane, dimethoxy-	c109875
665	C₃H₈O₂	Propylene glycol	c57556
666	C₃H₈S₂	1,3-Propanedithiol	c109808
667	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
668	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
669	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
670	C₄H₁₀O	Propane, 2-methoxy-	c598538
671	C₄H₁₀O⁺	1-Butanol cation	butanol1+
672	C₂H₅SC₂H₅	Diethyl sulfide	etset
673	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
674	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
675	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
676	FNO₃	Fluorine nitrate	fno3
677	TiCl₄	Titanium tetrachloride	ticl4
678	ClO₄^-	perchlorate anion	clo4-
679	BF₄^-	tetrafluoroboron anion	bf4-
680	ClFO₃	Perchloryl fluoride	clfo3
681	SO₂Cl₂	Sulfuryl chloride	so2cl2
682	F₃NO	Nitrogen trifluoride oxide	f3no
683	F₃PO	Phosphoryl fluoride	pf3o
684	Cl₃PO	Phosphoryl chloride	pcl3o
685	CF₄	Carbon tetrafluoride	cf4
686	SiF₄	Silicon tetrafluoride	sif4
687	CFCl₃	Trichloromonofluoromethane	cfcl3
688	CCl₄⁺	Carbon tetrachloride cation	ccl4+
689	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
690	SiCl₄	Silane, tetrachloro-	sicl4
691	CFClBrI	fluorochlorobromoiodomethane	cfclbri
692	CF₂I₂	difluorodiiodomethane	cf2i2
693	CCl₂I₂	dichlorodiiodomethane	ccl2i2
694	CBr₃I	tribromoiododmethane	cbr3i
695	CI₄	tetraiodomethane	ci4
696	SiI₄	silicon tetraiodide	sii4
697	C₂HF₃	Trifluoroethylene	c2hf3
698	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
699	CHClCCl₂	Trichloroethylene	chclccl2
700	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
701	HSO₃F	Fluorosulfonic acid	hso3f
702	CHClCCHCl	1,3-dichloroallene	chclcchcl
703	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
704	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
705	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
706	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
707	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
708	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
709	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
710	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
711	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
712	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
713	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
714	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
715	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
716	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
717	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
718	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
719	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
720	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
721	C₄H₉F	1-fluorobutane	butaf1
722	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
723	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
724	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
725	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
726	XeF₄	Xenon tetrafluoride	xef4
727	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
728	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
729	C₆H₄	Benzyne	benzyne
730	C₆H₅	phenyl	phenyl
731	C₆H₆	2,4-Hexadiyne	hexadiyne
732	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
733	C₆H₆⁺	Benzene cation	c6h6+
734	C₆H₈	(E)-hexa-1,3,5-triene	c821078
735	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
736	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
737	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
738	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
739	C₆H₈	3-Methylenecyclopentene	c930267
740	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
741	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
742	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
743	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
744	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
745	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
746	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
747	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
748	C₆H₁₀	1-Hexyne	hexyne1
749	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
750	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
751	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
752	C₆H₁₀	2-Hexyne	c764352
753	C₆H₁₀	cyclohexene	cyclohexene
754	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
755	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
756	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
757	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
758	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
759	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
760	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
761	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
762	C₆H₁₂	3-methylenepentane	c760214
763	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
764	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
765	C₆H₁₂	Cyclohexane	cyclohexane
766	C₆H₁₂	Cyclopentane, methyl-	c96377
767	C₆H₁₂	Ethylcyclobutane	c4806615
768	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
769	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
770	C₆H₁₄	Hexane	hexane
771	C₆H₁₄	Pentane, 2-methyl-	penta2
772	C₆H₁₄	Pentane, 3-methyl-	penta3
773	C₄N₂	2-Butynedinitrile	c4n2
774	C₂H₂N₄	sym-tetrazine	ttz
775	C₃H₃N₃	1,3,5-Triazine	triazine135
776	CH₃N₅	5-Aminotetrazole	c4418615
777	C₄H₄N₂	1,3-Diazine	diazine13
778	C₄H₄N₂	Pyrazine	pyrazine
779	C₄H₄N₂	Pyridazine	pyridazine
780	C₄H₄N₂	Succinonitrile	c110612
781	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
782	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
783	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
784	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
785	C₅H₅N	E-2,4-pentadienenitrile	bdcn
786	C₅H₅N	Pyridine	pyridine
787	B₃N₃H₆	borazine	borazine
788	C₆H₆	Fulvene	fulvene
789	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
790	C₅H₇N	(E)-2-Pentenenitrile	c26294984
791	C₅H₇N	(E)-3-Pentenenitrile	c16529661
792	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
793	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
794	C₅H₇N	Cyclobutanecarbonitrile	c4426113
795	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
796	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
797	C₅H₉N	Pentanenitrile	c110598
798	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
799	C₅H₁₁N	Cyclopentanamine	cypentam
800	C₅H₁₁N	Piperidine	piper
801	C₄H₁₂N₂	1,2-Butanediamine	c4426486
802	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
803	Li₂CO₃	Lithium Carbonate	li2co3
804	C₂O₄^--	oxalate anion	c2o4
805	N₂O₄	Dinitrogen tetroxide	n2o4
806	C₂H₃NO₃	Oxamic acid	oxamic
807	C₄H₄O₂	2(5H)-Furanone	furanone
808	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
809	C₂H₄N₂O₂	Oxalamide	oxalamide
810	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
811	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
812	C₄H₅NO	3-Methylisoxazole	isox3m
813	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
814	C₄H₅NS	4-Methylthiazole	c693958
815	C₅H₆S	Thiophene, 2-methyl-	c554143
816	C₅H₆S	Thiophene, 3-methyl-	c616444
817	C₄H₆O₂	2,3-Butanedione	c431038
818	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
819	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
820	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
821	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
822	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
823	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
824	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
825	C₄H₆OS	Vinyl sulfoxide	c1115157
826	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
827	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
828	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
829	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
830	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
831	C₄H₇NO	2-Pyrrolidinone	c616455
832	C₄H₇NO	Methacrylamide	c79390
833	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
834	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
835	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
836	CH₃CH(NH₂)COOH	Alanine	alanine
837	CH₃NHCH₂COOH	Sarcosine	sarcosine
838	NH₂CH₂CH₂COOH	β–alanine	betaalanine
839	NH₂COOC₂H₅	Urethane	urethane
840	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
841	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
842	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
843	NH₂CONHC₂H₅	Urea, ethyl-	c625525
844	C₄H₈O₂	1,3-Dioxane	dioxan13
845	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
846	C₄H₈O₂	1,4-Dioxane	dioxan14
847	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
848	C₄H₈OS	s-Ethyl thioacetate	c625605
849	C₃H₈O₃	1,2,3-Propanetriol	glycerin
850	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
851	C₄H₉NO	Butanamide	c541355
852	C₄H₉NO	Propanamide, 2-methyl-	c563837
853	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
854	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
855	C₅H₁₀O	2-Pentanone	mpk
856	C₅H₁₀O	Cyclopentanol	c96413
857	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
858	C₅H₁₀O	Pentanal	pal
859	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
860	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
861	C₅H₁₀S	Cyclopentanethiol	c1679078
862	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
863	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
864	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
865	C₄H₁₀O₂	1,3-Butanediol	budiol13
866	C₄H₁₀O₂	1,4-Butanediol	budiol14
867	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
868	C₄H₁₀OS	Diethyl sulfoxide	c70291
869	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
870	C₄H₁₁NO	Diethylhydroxylamine	c3710847
871	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
872	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
873	C₅H₁₂O	1-Pentanol	pentanol1
874	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
875	C₅H₁₂O	2-Pentanol	peol2
876	C₅H₁₂O	3-Pentanol	pentan3ol
877	C₅H₁₂O	Butane, 1-methoxy-	meobu
878	C₅H₁₂O	Propane, 1-ethoxy-	proet
879	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
880	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
881	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
882	C₅H₁₂S	1-Pentanethiol	c110667
883	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
884	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
885	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
886	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
887	C₅H₁₂S	Ethyl propyl sulfide	c4110503
888	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
889	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
890	CF₃CN	Acetonitrile, trifluoro-	cf3cn
891	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
892	B₂F₄	Diboron tetrafluoride	b2f4
893	C₂F₄	Tetrafluoroethylene	c2f4
894	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
895	C₂FCl₃	fluorotrichloroethene	c2fcl3
896	C₂Cl₄	Tetrachloroethylene	c2cl4
897	AsF₅	Arsenic pentafluoride	asf5
898	PCl₅	Phosphorus pentachloride	pcl5
899	SbCl₅	Antimony pentachloride	sbcl5
900	BrF₅	bromine pentafluoride	brf5
901	ClF₅	chlorinepentafluoride	clf5
902	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
903	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
904	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
905	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
906	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
907	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
908	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
909	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
910	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
911	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
912	C₆H₅CH₂	benzyl radical	benzyl
913	C₆H₅CH₃	toluene	toluene
914	C₇H₈	cycloheptatriene	cht
915	C₇H₈	Norbornadiene	norbor
916	C₇H₈	Quadricyclane	qucy
917	C₇H₁₂	Norbornane	nor
918	C₇H₁₆	2-methylhexane	2mhex
919	C₇H₁₆	3-methylhexane	hex3m
920	C₇H₁₆	heptane	heptane
921	C₆H₇N	2-Methylpyridine	mp
922	C₆H₅NH₂	aniline	aniline
923	C₆H₁₃N	2-Methylpiperidine	pip2m
924	C₆H₁₃N	cyclohexanamine	cham
925	N₂O₅	Dinitrogen pentoxide	n2o5
926	C₄H₂O₃	Maleic Anhydride	malan
927	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
928	C₆H₅O	phenoxy radical	phenoxy
929	C₅H₅NO	2(1H)-Pyridinone	c72762006
930	C₅H₅NO	2(3H)-Pyridinone	c9000048
931	C₅H₅NO	2(5H)-Pyridinone	c9000037
932	C₅H₅NO	2-Pyridinol	c109104
933	C₅H₅NO	3(2H)-Pyridinone	c9000004
934	C₅H₅NO	3(4H)-Pyridinone	c9000026
935	C₅H₅NO	3(6H)-Pyridinone	c9000015
936	C₅H₅NO	3-Pyridinol	c109002
937	C₅H₅NO	4(1H)-Pryidinone	c9000060
938	C₅H₅NO	4(3H)-Pryidinone	c9000059
939	C₅H₅NO	4-Pyridinol	c626642
940	C₆H₅OH	phenol	phenol
941	C₆H₆O	2,4-Cyclohexadienone	c24599573
942	C₆H₅SH	Benzenethiol	phsh
943	C₄H₈O₂S	Sulfolane	sulfolane
944	CH(C₂H₃)₃	trivinyl methane	tvm
945	C₆H₁₀O	cyclohexanone	chexo
946	C₆H₁₂O	hexanal	c6h12o
947	CF₃COCl	trifluoroacetyl chloride	cf3cocl
948	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
949	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
950	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
951	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
952	C₆H₅F	Fluorobenzene	bzf
953	C₆H₅Cl	chlorobenzene	bzcl
954	C₆H₅Br	bromobenzene	bzbr
955	C₆H₅CCH	phenylacetylene	phac
956	C₆H₅CHCH₂	Styrene	styrene
957	C₈H₈	cyclooctatetraene	cot
958	C₆H₅CH₂CH₃	Ethylbenzene	etbz
959	CH₃C₆H₄CH₃	meta-xylene	mxylene
960	CH₃C₆H₄CH₃	paraxylene	pxylene
961	C₈H₁₈	Octane	c8h18
962	C₆H₅CN	phenyl cyanide	phcn
963	C₄O₄^--	squarate dianion	c4o4--
964	S₈	Octasulfur	s8
965	C₆H₄O₂	parabenzoquinone	pbq
966	C₄H₄N₂O₂	Uracil	uracil
967	C₆H₅OCH₃	Anisole	anisole
968	C₆H₁₂O₂	Methyl pivalate	c598981
969	C₆H₁₂O₂	Hexanoic acid	hexa
970	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
971	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
972	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
973	C₂F₆	hexafluoroethane	c2f6
974	IF₇	Iodine heptafluoride	if7
975	C₆H₄F₂	metadifluorobenzene	mdfb
976	C₆H₄F₂	orthodifluorobenzene	odfb
977	C₈H₇N	Indole	indole
978	C₆H₅NO₂	Nitrobenzene	c6h5no2
979	C₆H₅COOH	benzoic acid	benzo
980	C₁₀H₁₆	adamantane	adamantane
981	C₆N₄^-	tetracyanoethylene anion	tcne-
982	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
983	C₃F₈	perfluoropropane	c3f8
984	Fe(CO)₅	Iron pentacarbonyl	ipc
985	Fe(C₅H₅)₂	ferrocene	fecp2
986	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
987	C₁₂H₈	Acenaphthylene	acenaph
988	C₁₂H₁₀	biphenyl	biphenyl
989	C₆F₆	hexafluorobenzene	c6f6
990	C₁₄H₁₀	Anthracene	anth
991	C₁₄H₁₀	Phenanthrene	phenanthrene
992	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