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

List of which calculations are completed at M06-2X /6-31G**

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	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
197	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
198	Ne	Neon atom	¹S	K_h
199	Ne	Neon atom
200	Ne⁺	Neon atom cation	²P	K_h
201	Ar	Argon atom	¹S	K_h
202	Kr	Krypton atom	¹S	K_h
203	Kr⁺	Krypton cation	²P	K_h
204	HeLi⁺	Helium Lithium cation
205	NeH	neon hydrogen	²Σ	C_∞v
206	ArH⁺	Argon hydride cation	¹Σ	C_∞v
207	KrH⁺	Protonated Krypton	¹Σ	C_∞v
208	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
209	Li₂	Lithium diatomic	¹Σ_g	D_∞v
210	NaLi	lithium sodium	¹Σ	C_∞v
211	LiK	Lithium Potassium	¹Σ	C_∞v
212	Na₂	Sodium diatomic	¹Σ_g	D_∞h
213	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
214	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
215	NaK	Sodium Potassium	¹Σ	C_∞v
216	NaK⁺	Sodium Potassium diatomic cation		1
217	K₂	Potassium diatomic	¹Σ_g	D_∞h
218	LiBe	Lithium Beryllium	²Σ	C_∞v
219	LiMg	Lithium magnesium	²Σ	C_∞v
220	NaBe	Sodium Beryllium	²Σ	C_∞v
221	NaMg	Sodium Magnesium	²Σ	C_∞v
222	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
223	Be₂	Beryllium diatomic	³Π_g	D_∞h
224	BeMg	Beryllium Magnesium	¹Σ	C_∞v
225	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
226	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
227	LiB	Lithium boride	³Π	C_∞v
228	LiAl	Lithium Aluminum
229	NaAl	Sodium aluminum	¹Σ	C_∞v
230	BeB	Beryllium monoboride	²Π	C_∞v
231	B₂	Boron diatomic	³Σ_g	D_∞h
232	B₂	Boron diatomic	¹Σ_g	D_∞h
233	B₂	Boron diatomic	⁵Σ_u	D_∞h
234	B₂⁺	Boron diatomic cation	²Π	D_∞h
235	BAl	Boron Aluminum	³Σ	C_∞v
236	BGa	Boron Gallium	³Σ	C_∞v
237	AlGa	Aluminum Gallium	³Σ	C_∞v
238	AlGa	Aluminum Gallium	¹Σ	C_∞v
239	Ga₂	Gallium diatomic	³P_iu
240	HBBH	Diborane(2)	³Σ_G	D_∞h
241	LiBH₄	Lithium borohydride	¹A₁	C_3v
242	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
243	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
244	B₂H₆	Diborane	¹A_g	D_2h
245	B₂H₆⁺	Diborane cation
246	Al₂H₆	dialane	¹A_G	D_2h
247	Ga₂H₆	digallane	¹A_G	D_2h
248	LiC	Lithium Carbide	⁴Σ	C_∞v
249	BeC	Beryllium Carbide	³Σ^-	C_∞v
250	BeC	Beryllium Carbide
251	CaC	Calcium monocarbide
252	BC	boron monocarbide	⁴Σ^-	C_∞v
253	AlC	Aluminum carbide	⁴Σ	C_∞v
254	BSi	Boron silicide	⁴Σ	C_∞v
255	BSi	Boron silicide	²Σ	C_∞v
256	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
257	C₂	Carbon diatomic	³Σ_g^-
258	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
259	SiC	silicon monocarbide	³Σ	C_∞v
260	SiC	silicon monocarbide	¹Σ	C_∞v
261	GeC	Germanium monocarbide	¹Σ	C_∞v
262	GeC	Germanium monocarbide
263	SiGe	Silicon Germanium
264	Ge₂	Germanium diatomic	³Σ_g	D_∞h
265	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
266	C₂H	Ethynyl radical	²Σ	C_∞v
267	C₂H^-	Ethynyl anion	¹Σ	C_∞v
268	C₂H₂	Acetylene	¹Σ_g	D_∞h
269	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
270	C₂H₂⁺	acetylene cation
271	CCH₂	vinylidene	³B₂	C_2v
272	H₂CC^-	vinylidene anion
273	HCCH^-	acetylene anion
274	HCCH^-	acetylene anion
275	Si₂H₂	disilyne
276	Si₂H₂	disilyne
277	Si₂H₂	disilyne
278	Si₂H₂	disilyne
279	CH₃Li	methyl lithium	¹A₁	C_3v
280	CH₂BH	methyleneborane	¹A₁	C_2v
281	C₂H₃	vinyl	²A^'	C_s
282	C₂H₃^-	vinyl anion	¹A^'	C_s
283	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
284	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
285	C₂H₄	Ethylene	¹A_g	D_2h
286	C₂H₄^-	Ethylene anion	²A_g	C_2h
287	C₂H₄⁺	Ethylene cation	²B₃	D₂
288	Si₂H₄	Disilene
289	Si₂H₄	Disilene
290	Si₂H₄	Disilene
291	CH₃BH₂	methylborane	¹A^'	C_s
292	C₂H₅	Ethyl radical	²A^'	C_s
293	C₂H₅^-	Ethyl anion	¹A^'	C_s
294	C₂H₆	Ethane	¹A_1g	D_3d
295	C₂H₆	Ethane	¹A₁^'	D_3h
296	C₂H₆⁺	ethane cation	²B_g	C_2h
297	C₂H₆⁺	ethane cation	²A_g	C_i
298	Si₂H₆	disilane	¹E_u	D_3d
299	GeH₃CH₃	methyl germane	¹A₁	C_3v
300	C₂H₇⁺	Ethane, protonated	¹A	C₂
301	LiN	Lithium Nitride	³Σ	C_∞v
302	LiP	Lithium monophosphide
303	LiP	Lithium monophosphide
304	BeN	Beryllium mononitride	⁴Σ	C_∞v
305	BeN	Beryllium mononitride	²Π	C_∞v
306	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
307	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
308	MgN	Magnesium Nitride
309	MgN	Magnesium Nitride
310	BP	Boron monophosphide	³Π	C_∞v
311	BP	Boron monophosphide	¹Σ	C_∞v
312	AlP	Aluminum monophosphide	³Σ	C_∞v
313	AlP	Aluminum monophosphide	³Π	C_∞v
314	AlP	Aluminum monophosphide	¹Σ	C_∞v
315	GaN	Gallium mononitride	³Π	C_∞v
316	GaN	Gallium mononitride	¹Σ	C_∞v
317	GaP	Gallium monophosphide	³Σ	C_∞v
318	GaP	Gallium monophosphide	¹Σ	C_∞v
319	GaAs	Gallium arsenide	³Π
320	GaAs	Gallium arsenide	¹Σ
321	BN	boron nitride	³Π	C_∞v
322	BN	boron nitride	¹Σ	C_∞v
323	CN	Cyano radical	²Σ	C_∞v
324	CN^-	cyanide anion	¹Σ	C_∞v
325	SiP	Silicon monophosphide	²Π	C_∞v
326	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
327	N₂	Nitrogen diatomic
328	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
329	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
330	PN	Phosphorus mononitride	¹Σ	C_∞v
331	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
332	AsN	Arsenic mononitride	¹Σ	C_∞v
333	AsP	Arsenic monophosphide	¹Σ	C_∞v
334	HCN	Hydrogen cyanide	¹Σ	C_∞v
335	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
336	HNC⁺	hydrogen isocyanide cation
337	HCP⁺	Phosphaethyne cation
338	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
339	LiNH₂	lithium amide
340	HBNH	Boranimine	¹Σ	C_∞v
341	CNH₂	Aminomethylidyne radical	²B₂	C_2v
342	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
343	HCNH	methyleneazane	²A^'	CS cis
344	HCNH	methyleneazane	²A^'	CS trans
345	H₂NN	Isodiazene
346	N₂H₂	(E)-diazene	¹A_g	C_2h
347	N₂H₂	(Z)-Diazene	¹A₁	C_2v
348	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
349	CH₂NH	Methanimine	¹A^'	C_s
350	CH₂NH⁺	Methanimine cation
351	CHNH₂	aminomethylene
352	CHNH₂⁺	Aminocarbene cation
353	CH₂PH	Phosphaethene	¹A^'	C_s
354	BH₂NH₂	Boranamine
355	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
356	N₂H₄	Hydrazine	¹A	C₂
357	N₂H₄⁺	hydrazine cation	²A_G	C_2h
358	CH₃NH₂	methyl amine	¹A^'	C_s
359	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
360	SiH₃NH₂	Silane, amino
361	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
362	BH₃PH₃	borane phosphine
363	BH₃NH₃	borane ammonia	¹A₁	C_3v
364	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
365	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
366	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
367	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
368	N₂H₇⁺	ammonia ammonium dimer
369	LiO	lithium oxide	²Σ	C_∞v
370	LiS	Lithium monosulfide	²Π	C_∞v
371	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
372	NaO	sodium monoxide	²Σ	C_∞v
373	KO	Potassium monoxide	²Σ	C_∞v
374	KO⁺	Potassium monoxide cation	³Σ	C_∞v
375	NaS	Sodium sulfide	²Π	C_∞v
376	LiSe	Lithium monoselenide
377	BeO	beryllium oxide	¹Σ	C_∞v
378	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
379	CaO	Calcium monoxide	¹Σ	C_∞v
380	CaS	Calcium sulfide	¹Σ	C_∞v
381	BO	boron monoxide	²Σ	C_∞v
382	ScO	Scandium monoxide	²Σ	C_∞v
383	GaO	Gallium monoxide	²Σ	C_∞v
384	GaS	Gallium monosulfide
385	CO	Carbon monoxide	¹Σ	C_∞v
386	CO	Carbon monoxide	³Π	C_∞v
387	CO^-	carbon monoxide anion	²Π	C_∞v
388	CO⁺	carbon monoxide cation	²Σ	C_∞v
389	SiO	Silicon monoxide	¹Σ	C_∞v
390	SiS	silicon monosulfide	¹Σ	C_∞v
391	TiO	Titanium monoxide	³Δ	C_∞v
392	CSe	Carbon monoselenide	¹Σ	C_∞v
393	GeO	Germanium monoxide	¹Σ	C_∞v
394	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
395	GeS	Germanium monosulfide	¹Σ	C_∞v
396	SiSe	Silicon Monoselenide
397	SiSe⁺	Silicon Monoselenide cation
398	GeSe	Germanium monoselenide
399	NO	Nitric oxide	²Π	C_∞v
400	NO^-	nitric oxide anion	³Σ	C_∞v
401	NO⁺	nitric oxide cation	¹Σ	C_∞v
402	NS	Mononitrogen monosulfide	²Π	C_∞v
403	NS^-	nitrogen sulfide anion	³Σ	C_∞v
404	PO	Phosphorus monoxide	²Π	C_∞v
405	PS	phosphorus sulfide	²Σ	C_∞v
406	VO	Vanadium monoxide	⁴Σ^-
407	NSe	Nitrogen monoselenide	²Π	C_∞v
408	AsS	Arsenic monosulfide	²Π	C_∞v
409	PSe	Phosphorus monoselenide	²Π	C_∞v
410	AsSe	Arsenic monoselenide	²Π	C_∞v
411	O₂	Oxygen diatomic	³Σ_g	D_∞h
412	O₂	Oxygen diatomic	¹Δ_g	D_∞h
413	O₂^-	oxygen diatomic anion	²Π	D_∞h
414	O₂^--	dioxygen dianion
415	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
416	SO	Sulfur monoxide	³Σ	C_∞v
417	SO	Sulfur monoxide	¹Σ	C_∞v
418	SO⁺	sulfur monoxide cation	²Π	C_∞v
419	S₂	Sulfur diatomic	³Σ_g	D_∞h
420	SeO	Selenium monoxide	³Σ	C_∞v
421	Se₂	Selenium diatomic	³Σ_g	D_∞h
422	LiOH	lithium hydroxide	¹Σ	C_∞v
423	KOH	Potassium hydroxide	¹Σ	C_∞v
424	BeOH	beryllium monohydroxide	²A^'	C_s
425	BeOH	beryllium monohydroxide	²Σ	C_∞v
426	HBO	Boron hydride oxide	¹Σ	C_∞v
427	HBS	hydrogen boron sulfide	¹Σ	C_∞v
428	COH	Hydroxymethylidyne
429	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
430	HCO	Formyl radical	²A^'	C_s
431	HCO^-	formyl anion	¹A^'	C_s
432	HCO⁺	Formyl cation	¹Σ	C_∞v
433	HNO	Nitrosyl hydride	¹A^'	C_s
434	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
435	NOH	Hydroxyimidogen	³A^"	C_s
436	NOH⁺	O-protonated nitric oxide	²A^'	C_s
437	HNS^-	Sulfur imide anion	²A	C_s
438	HO₂	Hydroperoxy radical	²A^"	C_s
439	HO₂⁺	Hydroperoxy cation	³A^"	C_s
440	HSO⁺	Sulfur Monoxide, S-protonated
441	SOH	Sulfur Hydroxide
442	SOH⁺	Sulfur Monoxide, protonated
443	HS₂	Thiosulfeno radical	²A^"	C_s
444	H₂CO	Formaldehyde	¹A₁	C_2v
445	H₂CO^-	formaldehyde anion	²A^'	C_s
446	H₂CO^-	formaldehyde anion
447	H₂CO⁺	formaldehyde cation	²B₂	C_2v
448	HOCH	hydroxycarbene	¹A^'	CS trans
449	HOCH	hydroxycarbene	¹A^'	CS cis
450	H₂CS	Thioformaldehyde	¹A₁	C_2v
451	H₂CS^-	thioformaldehyde anion
452	H₂CS^-	thioformaldehyde anion
453	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
454	H₂CSe	Selenoformaldehyde
455	H₂NO	nitroxide	²B₁	C_2v
456	H₂NO	nitroxide	²A^'	C_s
457	H₂O₂	Hydrogen peroxide	¹A	C₂
458	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
459	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
460	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
461	H₂OO	water oxide
462	HOSH	hydrogen thioperoxide
463	H₂S₂	Disulfane	¹A	C₂
464	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
465	H₂Se₂	hydrogen diselenide
466	CH₂OH	Hydroxymethyl radical	²A	C₁
467	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
468	CH₃O^-	methoxy anion	¹A₁	C_3v
469	CH₃O⁺	Methoxy cation	³A₁	C_3v
470	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
471	NH₂OH	hydroxylamine	¹A^'	C_s
472	NH₂OH⁺	Hydroxylamine cation
473	NH₃O	Ammonia Oxide	¹A₁	C_3v
474	H₂POH	Phosphinous acid	¹A₁^'	CS trans
475	H₂POH	Phosphinous acid	¹A₁^'	CS cis
476	H₃PO	Phosphine oxide	¹A₁	C_3v
477	NH₂SH	Thiohydroxylamine
478	NH₂SH	Thiohydroxylamine
479	NH₃S	sulfidoazane
480	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
481	CH₃OH	Methyl alcohol	¹A^'	C_s
482	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
483	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
484	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
485	CH₃OH⁺	Methyl alcohol cation	²A	C₁
486	CH₃SH	Methanethiol	¹A^'	C_s
487	CH₃SH⁺	Methanethiol cation	²A^"	C_s
488	SiH₃OH	silanol
489	NH₂OH₂⁺	protonated hydroxylamine
490	NH₃OH⁺	N-protonated hydroxylamine
491	H₂OH₂O	water dimer	¹A^'	C_s
492	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
493	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
494	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
495	LiF	lithium fluoride	¹Σ	C_∞v
496	LiCl	lithium chloride	¹Σ	C_∞v
497	NaF	sodium fluoride	¹Σ	C_∞v
498	NaF⁺	sodium fluoride cation	²Σ	C_∞v
499	NaCl	Sodium Chloride	¹Σ	C_∞v
500	LiBr	Lithium Bromide	¹Σ	C_∞v
501	LiF⁺	lithium fluoride cation	²Π	C_∞v
502	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
503	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
504	TiCl	Titanium Monochloride	⁴Σ	C_∞v
505	ZnF	Zinc monofluoride	²Σ	C_∞v
506	CaBr	Calcium monobromide
507	BF	Boron monofluoride	¹Σ	C_∞v
508	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
509	AlCl	Aluminum monochloride	¹Σ	C_∞v
510	ScF	Scandium monofluoride	¹Σ	C_∞v
511	BBr	Boron monobromide	¹Σ	C_∞v
512	GaF	Gallium monofluoride	¹Σ	C_∞v
513	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
514	AlBr	Aluminum monobromide
515	GaCl	Gallium monochloride	¹Σ_G	C_∞v
516	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
517	GaBr	Gallium monobromide
518	CF	Fluoromethylidyne	²Π	C_∞v
519	SiF	silicon monofluoride	²Π	C_∞v
520	SiF^-	silicon monofluoride anion	³Σ	C_∞v
521	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
522	SiCl	Clorosilylidyne	²Π	C_∞v
523	CBr	Carbon monobromide	²Π	C_∞v
524	GeF	Germanium monofluoride	²Π	C_∞v
525	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
526	GeCl	Germanium monochloride	²Π	C_∞v
527	GeCl⁺	Germanium monochloride cation
528	SiBr	Silicon monobromide	²Π	C_∞v
529	SiBr⁺	Silicon monobromide cation
530	NCl	nitrogen monochloride	³Σ	C_∞v
531	AsF	Arsenic monofluoride	³Σ	C_∞v
532	AsF	Arsenic monofluoride	¹Δ	C_∞v
533	NBr	nitrogen monobromide	³Σ^-	C_∞v
534	AsCl	Arsenic monochloride	³Σ	C_∞v
535	PBr	Phosphorus monobromide
536	FO	Oxygen monofluoride	²Π	C_∞v
537	ClO	Monochlorine monoxide	²Π	C_∞v
538	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
539	SF	Monosulfur monofluoride	²Π	C_∞v
540	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
541	SCl	sulfur monochloride	²Π	C_∞v
542	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
543	BrO	Bromine monoxide	²Π	C_∞v
544	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
545	BrO⁺	Bromine monoxide cation
546	SeF	Selenium monofluoride	²Π	C_∞v
547	SBr	Sulfur monobromide radical
548	SBr⁺	Sulfur monobromide cation
549	SeCl	Selenium monochloride	²Π	C_∞v
550	SeBr	Selenium monobromide
551	BrCl	Bromine monochloride	¹Σ	C_∞v
552	F₂	Fluorine diatomic	¹Σ_g	D_∞h
553	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
554	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
555	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
556	ClF⁺	clorine monofluoride cation	²Π	C_∞v
557	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
558	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
559	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
560	BrF	Bromine monofluoride	¹Σ	C_∞v
561	Br₂	Bromine diatomic	¹Σ_g	D_∞h
562	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
563	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
564	HCF	Fluoromethylene	¹A^'	C_s
565	HCF	Fluoromethylene	³A^"	C_s
566	HCCl	Chloromethylene	¹A^'	C_s
567	HCCl	Chloromethylene	³A^"	C_s
568	HSiF	fluorosilylene
569	HSiCl	Chlorosilylene
570	HSiBr	monobromosilylene
571	CHBr	bromomethylene	¹A^'	C_s
572	CHBr	bromomethylene	³A^"	C_s
573	HOF	Hypofluorous acid	¹A^'	C_s
574	HOCl	hypochlorous acid	¹A^'	C_s
575	HOCl⁺	hypochlorous acid cation
576	HOBr	Hypobromous acid	¹A^'	C_s
577	HOBr⁺	Hypobromous acid cation	²A^"	C_s
578	F₂H⁺	Fluorine, protonated	¹A^'	C_s
579	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
580	ClFH⁺	Chlorine fluoride, F-protonated
581	FClH⁺	Chlorine fluoride, Cl-protonated
582	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
583	CH₂Br	bromomethyl radical	²A^'	C_s
584	CH₂Br	bromomethyl radical
585	CH₂F	fluoromethyl radical	²A	C_s
586	CH₂F⁺	fluoromethyl cation
587	CH₂Cl⁺	chloromethyl cation
588	CH₂Cl	chloromethyl radical	²A^'	C_s
589	CH₂Cl	chloromethyl radical	²B₁	C_2v
590	NH₂Cl	chloramine	¹A^'	C_s
591	CH₃F⁺	methyl fluoride cation
592	CD₃F	methylfluoride-d3	¹A₁	C_3v
593	CH₃F	Methyl fluoride	¹A₁	C_3v
594	CD₃Cl	methyl chloride d3	¹A₁	C_3v
595	CH₃Cl	Methyl chloride	¹A₁	C_3v
596	CH₃Cl⁺	Methyl chloride cation
597	SiH₃F	monofluorosilane	¹A₁	C_3v
598	SiH₃Cl	chlorosilane	¹A₁	C₁
599	CH₃Br	methyl bromide	¹A₁	C_3v
600	GeH₃F	monofluorogermane
601	GeH₃Cl	monochlorogermane
602	SiH₃Br	bromosilane	¹A₁	C_3v
603	NH₃Cl⁺	protonated monochloroammonia
604	CH₃ClH⁺	methyl chloride, protonated
605	NH₄Cl	Ammonium chloride
606	LiNe⁺	Lithium Neon cation
607	Ne₂	Neon diatomic	¹Σ_g	D_∞h
608	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
609	Ar₂	Argon diatomic	¹S_g	D_∞h
610	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
611	Li₃	Lithium trimer	²B₂	C_2v
612	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
613	C₃	carbon trimer	¹Σ_g	D_∞h
614	C₃	carbon trimer	¹A₁	C_2v
615	SiC₂	Silicon dicarbide
616	C₃H₃	cyclopropenyl radical	²A^'	C_s
617	C₃H₄	cyclopropene	¹A₁	C_2v
618	CH₂CCH₂	allene	¹A₁	D_2d
619	CH₃CCH	propyne	¹A^'	C_3v
620	C₃H₅	Allyl radical	²A₂	C_2v
621	C₃H₅	Allyl radical	²A^"	C_s
622	C₃H₅⁺	Allyl cation	¹A₁	C_2v
623	CH₃CHCH	1-propenyl radical	²A^'	C_s
624	C₃H₆	Cyclopropane	¹A₁^'	D_3h
625	CH₂CHCH₃	Propene	¹A^'	C_s
626	C₃H₇	n-Propyl radical	²A^"	C₁
627	C₃H₇⁺	cyclopropane, protonated
628	CH₃CHCH₃	Isopropyl radical	²A	C₂
629	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
630	C₃H₈	Propane	¹A₁	C_2v
631	Si₃H₈	trisilane
632	LiCN	lithium cyanide	¹Σ	C*V LiCN
633	LiCN	lithium cyanide	¹A^'	C_s
634	LiCN	lithium cyanide	¹Σ	C*V LiNC
635	NaCN	Sodium Cyanide	¹Σ	C_∞v
636	NaCN	Sodium Cyanide	¹A	C_s
637	NaCN	Sodium Cyanide	¹Σ	C_∞v
638	KCN	Potassium cyanide	¹Σ	C_∞v
639	KCN	Potassium cyanide	¹Σ	C_∞v
640	KCN	Potassium cyanide	¹A^'	C_s
641	ZnCN	Zinc monocyanide	²Σ	C_∞v
642	ZnNC	Zinc isocyanide	²Σ	C_∞v
643	AlCN	Aluminum monocyanide
644	AlNC	Aluminum isocyanide
645	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
646	CNN	Diazocarbene
647	NCN	Cyanoimidogen	³Σ_g	D_∞h
648	NCN	Cyanoimidogen	¹Σ_g	D_∞h
649	N₃	azide radical	²Π_g	D_∞h
650	N₃⁺	azide cation	³Σ_g	D_∞h
651	N₃⁺	azide cation	³Σ	C_∞v
652	HCCN	cyanomethylene	³A^"	C_s
653	HCCN	cyanomethylene	³Σ	C_∞v
654	HCCN	cyanomethylene
655	HN₃	hydrogen azide	¹A^'	C_s
656	HN₃⁺	Hydrazoic acid cation
657	HNCNH	diiminomethane	¹A	C₂
658	NH₂CN	cyanamide	¹A₁	C_2v
659	HNNNH⁺	1,2-Triazadienium
660	NH₂NN⁺	hydrazoic acid, protonated
661	CH₃CN	Acetonitrile	¹A₁	C_3v
662	CH₃CN^-	acetonitrile anion	²E	C_3v
663	CH₃CN^-	acetonitrile anion	²A^'	C_s
664	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
665	CHNCH₂	2H-Azirine
666	CHNHCH	1H-Azirine
667	H₂CCNH	Ethenimine
668	H₂CNCH	methyleneaminomethylene
669	HCCNH₂	Ethynamine
670	HCNCH₂⁺	2H-Azirine cation
671	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
672	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
673	NH₂CNH⁺	cyanamide, cn protonated
674	NH₃CN⁺	cyanamide, amine protonated
675	CH₂CHNH	vinylazine	²A^"	CS cis
676	CH₂CHNH	vinylazine	²A^"	CS trans
677	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
678	CH₃CHNH	ethanimine	¹A^'	CS NH down
679	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
680	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
681	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
682	CH₃CH₂NH₂	Ethylamine
683	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
684	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
685	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
686	Li₂O	dilithium oxide	¹Σ_g	D_∞h
687	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
688	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
689	Li₂S	dilithium sulfide	¹A₁	C_2v
690	Na₂O	disodium monoxide	¹Σ_g	Linear
691	Na₂O	disodium monoxide	¹A₁	C_2v
692	Na₂S	Sodium sulfide
693	Na₂S	Sodium sulfide
694	LiO₂	Lithium dioxide
695	NaO₂	Sodium superoxide
696	CCO	Dicarbon monoxide	³Σ	C_∞v
697	CCO	Dicarbon monoxide	¹Π	C_∞v
698	NCO	isocyanato radical	²Π	C_∞v
699	N₂O	Nitrous oxide	¹Σ	C_∞v
700	N₂O^-	Nitrous oxide anion	²A^'	C_s
701	NNS	Nitrogen sulfide	¹Σ	C_∞v
702	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
703	CO₂	Carbon dioxide	¹Σ_g	D_∞h
704	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
705	OCS	Carbonyl sulfide	¹Σ	C_∞v
706	CS₂	Carbon disulfide	¹Σ_g	D_∞h
707	CS₂^-	Carbon disulfide anion	²A₁	C_2v
708	TiO₂	Titanium dioxide	¹A₁	C_2v
709	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
710	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
711	OCSe	Carbonyl selenide	¹Σ	C_∞v
712	SCSe	Carbon sulfide selenide
713	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
714	CSe₂	Carbon diselenide	¹A₁	D_∞h
715	NO₂	Nitrogen dioxide	²A₁	C_2v
716	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
717	NSO	sulfinyl amidogen
718	SNO	Nitrogen oxide sulfide
719	AsO₂	Aresenic dioxide	²A₁	C_2v
720	O₃	Ozone	¹A₁	C_s
721	SO₂	Sulfur dioxide	¹A₁	C_2v
722	SSO	Disulfur monoxide	¹A^'	C_s
723	S₃	Sulfur trimer	¹A₁	C_2v
724	S₃	Sulfur trimer
725	S₃^-	Sulfur trimer anion	²B₁	C_2v
726	S₃⁺	Sulfur trimer cation	²B₂	C_2v
727	SeO₂	Selenium dioxide	¹A₁	C_2v
728	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
729	HCCO	ketenyl radical	²Π	C_∞v
730	HCCO	ketenyl radical	²A^"	C_s
731	HCNO	fulminic acid	¹Σ	C_∞v
732	HCNO	fulminic acid	¹A^'	C_s
733	HNCS	Isothiocyanic acid
734	HSCN	thiocyanic acid	¹A^'	C_s
735	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
736	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
737	HCOO	formate neutral radical	²A^'	C_s
738	HOCO	Hydrocarboxyl radical	¹A^'	cis
739	HOCO	Hydrocarboxyl radical	¹A^'	trans
740	O₃H⁺	protonated ozone	¹A^'	C_s
741	O₃H⁺	protonated ozone
742	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
743	C₂H₂O	Oxirene	¹A₁	C_2v
744	CH₂CO	Ketene	¹A₁	C_2v
745	CH₂CS	Thioketene
746	Be(OH)₂	Beryllium hydroxide
747	Be(OH)₂	Beryllium hydroxide
748	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
749	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
750	NH₂NO	Nitrosamide	¹A	C₁
751	H₂COO	Dioxymethyl radical	²A^'	C_s
752	H₂COO⁺	dioxymethyl cation	²A^'	C_s
753	HCOOH	Formic acid	¹A^'	C_s
754	HCOOH	Formic acid
755	H₂O₃	Hydrogen trioxide	¹A	C₂
756	HSSSH	trisulfane	¹A	C₂
757	HSSSH	trisulfane	¹A^'	C_s
758	NaOCH₃	Sodium methoxide	¹A₁	C_3v
759	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
760	BH₃CO	Borane carbonyl	¹A₁	C_3v
761	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
762	CH₂COH⁺	ketene, protonated
763	CH₂NOH	formaldoxime	¹A^'	C_s
764	CH₃NO	nitrosomethane	¹A^'	C_s
765	CHONH₂	formamide	¹A^'	Planar
766	CHONH₂	formamide	¹A	Non-Planar
767	CNOH₃	1,2-oxaziridine	¹A	C₁
768	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
769	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
770	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
771	CHSNH₂	thioformamide
772	NHCHSH	Methanimidothioic acid
773	C₂H₄O	Ethylene oxide	¹A₁	C_2v
774	C₂H₄O⁺	ethylene oxide cation
775	CH₃CHO	Acetaldehyde	¹A^'	C_s
776	CH₃CHO⁺	acetaldehyde cation
777	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
778	C₂H₄S	Thiirane	¹A₁	C_2v
779	CH₂CHSH	Ethenethiol
780	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
781	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
782	NH₂CHOH⁺	Formamide, O-protonated
783	CH₂(OH)₂	methanediol	¹A	C₂
784	CH₃SSH	Hydrogen methyl disulfide
785	HSCH₂SH	Methanedithiol
786	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
787	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
788	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
789	CH₃CH₂O	Ethoxy radical	²A^'	C_s
790	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
791	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
792	CH₃OCH₂	methoxymethyl radical	²A	C₁
793	NH₂CH₂OH	aminomethanol
794	CH₃CH₂OH	Ethanol	¹A^'	C_s
795	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
796	CH₃CH₂SH	ethanethiol	¹A^'	C_s
797	CH₃CH₂SH	ethanethiol	¹A	C₁
798	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
799	CH₃SCH₃⁺	dimethyl sulfide cation
800	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
801	CuF₂	Copper difluoride	²Π_g	D_∞h
802	CNF	iso cyanogen fluoride	¹Σ	C_∞v
803	BrCN	Cyanogen bromide	¹Σ	C_∞v
804	FBO	Boron monofluoride monoxide
805	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
806	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
807	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
808	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
809	BeBr₂	Beryllium bromide
810	CaBr₂	Calcium dibromide
811	FCO	Carbonyl fluoride	²A^'	C_s
812	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
813	ClCO	carbonyl monochloride	²A^'	C_s
814	BF₂	Boron difluoride radical	²A₁	C_2v
815	FNO	Nitrosyl fluoride	¹A^'	C_s
816	ClNO	Nitrosyl chloride	¹A^'	C_s
817	FNS	Thionitrosyl fluoride	¹A^'	C_s
818	FSN	Thiazyl fluoride	¹A^'	C_s
819	OPCl	Phosphorus oxychloride
820	CF₂	Difluoromethylene	¹A₁	D_∞h
821	CFCl	chlorofluoromethylene	¹A^'	C_s
822	SiF₂	Silicon difluoride	¹A₁	C_2v
823	SiF₂	Silicon difluoride	³B₁	C_2v
824	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
825	GeF₂	Germanium difluoride	¹A₁	C_2v
826	GeCl₂	Germanium dichloride	¹A₁	C_2v
827	CBr₂	dibromomethylene	¹A₁	C_2v
828	CBr₂	dibromomethylene	³B₁	C_2v
829	FOO⁺	Fluorine dioxide cation
830	OClO	Chlorine dioxide	²B₁	D_∞h
831	OClO^-	Chlorine dioxide anion	¹A^'	C_s
832	ClSO	Sulfur chloride oxide	²A^"	C_s
833	BrOO	Bromine dioxide
834	OBrO	Bromine dioxide radical	²B₁	C_2v
835	PF₂	Phosphorus difluoride
836	PF₂⁺	Phosphorus difluoride cation
837	FClO	chlorosyl fluoride	¹A^'	C_s
838	ClOF	Chlorine hypofluorite	¹A^'	C_s
839	SF₂	sulfur difluoride	¹A₁	C_2v
840	SF₂^-	sulfur difluoride anion	²A^'	C_s
841	SF₂^-	sulfur difluoride anion	²Π	D_∞h
842	SCl₂	Sulfur dichloride	¹A₁	C_2v
843	SeF₂	Selenium difluoride
844	SeCl₂	Selenium Dichloride
845	SBr₂	Sulfur dibromide
846	SeBr₂	Selenium dibromide
847	F₃^-	trifluoride anion	¹Σ_g	D_∞h
848	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
849	Br₃^-	tribromide anion
850	SFCl	Sulfur chloride fluoride
851	HCCF	Fluoroacetylene	¹Σ	C_∞v
852	HCCCl	Chloroacetylene	¹Σ	C_∞v
853	HCCBr	bromoacetylene	¹Σ	C_∞v
854	HFCO⁺	formyl fluoride cation	²A^'	C_s
855	CHCl₂	dichloromethyl radical	²B₁	C_2v
856	CHCl₂	dichloromethyl radical	²A^'	C_s
857	CHF₂	difluoromethyl radical	²A	C_s
858	CHF₂⁺	difluoromethyl cation
859	CHFCl	Chlorofluoromethyl radical
860	CHFCl⁺	Chlorofluoromethyl cation
861	CHCl₂⁺	dichloromethyl cation
862	CHBr₂	dibromomethyl radical
863	NHF₂	difluoramine
864	NHCl₂	dichloroamine
865	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
866	SiH₂F₂	difluorosilane
867	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
868	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
869	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
870	CH₂Br₂	dibromomethane	¹A₁	C_2v
871	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
872	CH₃MgBr	Methyl Magnesium Bromide
873	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
874	CH₂FOH	fluoromethanol
875	CH₃OCl	methyl hypochlorite	¹A^'	C_s
876	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
877	CHClCH₃	1-chloroethyl radical	²A	C₁
878	C₂H₅Br	Ethyl bromide	¹A^'	C_s
879	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
880	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
881	C₄	Carbon tetramer	³Σ_g	D_∞h
882	C₄	Carbon tetramer
883	C₄H₂	Diacetylene	¹Σ_g	D_∞h
884	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
885	C₄H₄	cyclobutadiene	¹A_g	D_2h
886	C₄H₄	Tetrahedrane
887	C₄H₆	1-Methylcyclopropene	¹A	C₁
888	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
889	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
890	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
891	C₄H₈	methylcyclopropane	¹A^'	C_s
892	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
893	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
894	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
895	Li₃N	trilithium nitride	¹A^'	D_3h
896	Li₃N	trilithium nitride	¹A₁	C_3v
897	C₂N₂	Cyanogen	¹Σ_g	D_∞h
898	As₄	Arsenic tetramer	¹A₁	T_d
899	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
900	H₂CNCN	cyanamide, methylene
901	HNCCNH	Ethenediimine
902	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
903	CH₃N₃	methyl azide	¹A^'	C_s
904	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
905	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
906	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
907	C₂H₅CN	ethyl cyanide	¹A^'	C_s
908	CH₅N₃	Guanidine	¹A	C₁
909	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
910	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
911	H₂NCHCHNH₂	diaminoethylene
912	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
913	CH₆N₃⁺	guanidinium	¹A₁	D₃
914	CH₇N₃	triaminomethane
915	C₄H₈	cyclobutane	¹A₁	D_2d
916	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
917	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
918	N(SiH₃)₃	trisilylamine
919	(CH₃)₃NH⁺	protonated trimethyl amine
920	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
921	K₂O₂	dipotassium dioxide
922	C₃O	Tricarbon monoxide	¹Σ	C_∞v
923	ONNO	NO dimer	¹A_g	trans C2H
924	ONNO	NO dimer	¹A₁	cis C2V
925	S₂N₂	Disulfur dinitride	¹A_G	D_2h
926	CS₃^--	Carbonotrithioate
927	NO₃^-	nitrate anion	¹A₁^'	D_3h
928	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
929	SO₃	Sulfur trioxide	¹A₁^'	D_3h
930	SO₃^--	Sulfate dianion
931	SeO₃	selenium trioxide	¹A₁^'	D_3h
932	S₄	Sulfur tetramer
933	S₄	Sulfur tetramer
934	S₄	Sulfur tetramer
935	HNO₃	Nitric acid	¹A^'	C_s
936	HSO₃	Hydroxysulfonyl radical	²A	C₁
937	NH₂NO₂	nitramide	¹A^'	C_s
938	C₃H₂O	Propadienal
939	C₃H₂O	Propadienal
940	C₂H₂O₂	Ethanedial	¹A_g	C_2h
941	H₂CO₃	Carbonic acid	¹A₁	C_2v
942	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
943	H₂SO₃	Sulfurous acid	¹A^'	C_s
944	C₂H₃NO	Nitrosoethylene
945	CH₃NCO	methylisocyante
946	HOCH₂CN	cyanomethanol
947	CH₃NO₂	Methane, nitro-	¹A^'	C_s
948	NH₂COOH	Carbamic acid	¹A^'	C_s
949	NH₂COOH	Carbamic acid	¹A	C₁
950	H₃AlO₃	Aluminum hydroxide
951	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
952	CH₂CHCHO	Acrolein	¹A^'	C_s
953	CH₂CHCHO	Acrolein
954	NH₂CONH₂	Urea	¹A	C₂
955	NH₂CONH₂	Urea	¹A^'	C_s
956	NH₂CONH₂	Urea	¹A₁	C_2v
957	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
958	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
959	CH₃COCH₂	Acetonyl radical	²A^"	C_s
960	CH₂C(OH)NH₂	1-amino vinyl alchohol
961	CH₃C(OH)=NH	Ethaninidic acid
962	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
963	HCONHCH₃	N-methylformamide	¹A^'	CS cis
964	HCONHCH₃	N-methylformamide	¹A^'	CS trans
965	CH₃CSNH₂	Ethanethioamide
966	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
967	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
968	C₂H₅OO	ethylperoxy radical	²A^'	C_s
969	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
970	C₃H₅OH	Cyclopropanol	¹A	C₁
971	C₃H₆O	2-Propen-1-ol	¹A	C₁
972	C₃H₆O	Acetone enol	¹A^'	C_s
973	C₃H₆O	Oxetane	¹A₁	C_2v
974	C₃H₆O	Oxetane	¹A^'	C_s
975	CH₃CH₂CHO	Propanal	¹A^'	C_s
976	CH₃COCH₃	Acetone	¹A₁	C_2v
977	CH₃COCH₃^-	acetone anion	²A^'	C_s
978	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
979	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
980	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
981	C₃H₇OH	1-Propanol
982	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
983	Li₂F₂	Lithium fluoride dimer
984	FNO₂	Nitryl fluoride	¹A₁	C_2v
985	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
986	ClONO	chlorine nitrite	¹A^'	CS cis
987	CF₂O	Carbonic difluoride	¹A₁	C_2v
988	CF₂O⁺	Carbonic difluoride cation
989	Cl₂CS	Thiophosgene	¹A₁	C_2v
990	BF₃	Borane, trifluoro-	¹A^'	D_3h
991	BF₃⁺	boron trifluoride cation	²B₂	C_2v
992	BF₃⁺	boron trifluoride cation
993	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
994	BClF₂	Chlorodifluoroborane
995	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
996	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
997	BCl₃⁺	Boron Trichloride cation
998	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
999	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1000	BBr₃	Boron tribromide	¹A₁^'	D_3h
1001	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1002	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1003	CF₂Cl	difluorochloromethyl radical
1004	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1005	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1006	CFCl₂	dichlorofluoromethyl radical
1007	CBr₃	tribromomethyl radical
1008	FOOF	Perfluoroperoxide	¹A	C₂
1009	ClO₂F	Chloryl fluoride	¹A^'	C_s
1010	F₂SO	Thionyl Fluoride	¹A^'	C_s
1011	ClOOCl	Dichlorine dioxide	¹A	C₂
1012	SSCl₂	Thiothionyl chloride
1013	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1014	NCl₃	nitrogen trichloride	¹A₁	C_3v
1015	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1016	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1017	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1018	SF₃	Sulfur trifluoride	²A^'	C_s
1019	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1020	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1021	HClO₃	Chloric Acid	¹A^'	C_s
1022	HClO₃	Chloric Acid	¹A	C₁
1023	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1024	SiHF₃	trifluorosilane
1025	CDCl₃	trichloromethane-d	¹A₁	C_3v
1026	CHCl₃	Chloroform	¹A₁	C_3v
1027	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1028	CHFClBr	fluorochlorobromomethane	¹A	C₁
1029	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1030	CHBr₂F	dibromofluoromethane
1031	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1032	AsF₃H⁺	Arsenic trifluoride, protonated
1033	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1034	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1035	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1036	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1037	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1038	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
1039	CH₂ClCHO	chloroacetaldehyde	¹A^'	CS eclipsed, cis
1040	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1041	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1042	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1043	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1044	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1045	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1046	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1047	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1048	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1049	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1050	CH₂CHCH₂F	Allyl Fluoride
1051	CH₂CHCH₂F	Allyl Fluoride
1052	CH₃CHCHF	trans-1-Fluoro-1-propene
1053	CH₂FCH₂OH	2-fluoroethanol
1054	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1055	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1056	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1057	CH₂FCH₂CH₃	1-Fluoropropane
1058	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1059	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1060	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
1061	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
1062	B₅H₉	pentaborane9
1063	C₅H₄	pentatetraene
1064	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1065	C₅H₆	Propellane	¹A₁	D_3h
1066	C₅H₈	1,3-Pentadiene, (Z)-	¹A^'	C_s
1067	C₅H₈	1-pentyne	¹A^'	C_s
1068	C₅H₈	Bicyclo[1.1.1]pentane
1069	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1070	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1071	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1072	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1073	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1074	C₄H₄N	pyrrolide radical	²A₂	C_2v
1075	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1076	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1077	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1078	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1079	C₄H₅N	Pyrrole	¹A₁	C_2v
1080	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1081	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1082	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1083	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1084	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1085	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1086	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1087	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1088	B₂O₃	diboron trioxide
1089	B₂O₃	diboron trioxide
1090	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1091	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1092	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1093	HOONO₂	peroxy nitric acid	¹A	C₁
1094	HSO₄^-	bisulfate anion	¹A^'	C_s
1095	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1096	CHOCOOH	oxo acetic acid	¹A^'	C_s
1097	CHOOCHO	diformyl ether
1098	H₂SeO₄	Selenic acid	¹A	C₂
1099	C₃H₃NO	Isoxazole	¹A^'	C_s
1100	C₃H₃NO	Oxazole	¹A^'	C_s
1101	C₃H₃NS	Thiazole
1102	H₃PO₄	Phosphoric Acid	¹A	C₃
1103	C₄H₄O	Furan	¹A₁	C₂
1104	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1105	C₄H₄Se	selenophene
1106	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1107	HOCHCCHOH	allenediol	¹A	C₂
1108	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1109	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1110	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1111	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1112	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1113	CH₂CHSCHCH₂	Divinyl sulfide
1114	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1115	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1116	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1117	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1118	C₄H₁₀O	1-Butanol	¹A^'	C_s
1119	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1120	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1121	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1122	C₄H₉SH	1-Butanethiol
1123	ClONO₂	Chlorine nitrate	¹A^'	C_s
1124	BrONO₂	Bromine nitrate	¹A^'	C_s
1125	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1126	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1127	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1128	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1129	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1130	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1131	CCl₄	Carbon tetrachloride	¹A₁	T_d
1132	CBrCl₂F	bromodichlorofluoromethane
1133	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1134	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1135	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1136	CBr₂ClF	dibromochlorofluoromethane
1137	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1138	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1139	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1140	CBr₄	Carbon tetrabromide	¹A₁	T_d
1141	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1142	GeBr₄	Germanium tetrabromide
1143	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1144	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1145	SeF₄	Selenium tetrafluoride
1146	SCl₄	Sulfur tetrachloride
1147	HClO₄	perchloric acid	¹A	C_s
1148	CF₃OH	trifluoromethanol	¹A^'	C_s
1149	CH₂ClCCCl	1,3-dichloropropyne
1150	CHCl₂CCH	3,3-dichloropropyne
1151	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
1152	CHCl₂CHO	dichloroacetaldehyde
1153	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1154	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1155	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1156	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
1157	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1158	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1159	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1160	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1161	CH₂FCH₂CH₂F	1,3-difluoropropane
1162	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1163	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1164	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1165	C₂H₂N₂O	Furazan
1166	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1167	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1168	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1169	C₆H₅^-	phenyl anion	¹A₁	C_2v
1170	C₆H₆	Prismane
1171	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1172	C₆H₆	Benzene	¹A_1g	D_6h
1173	C₆H₆	Benzvalene	¹A₁	C_2v
1174	C₆H₆	Dewar Benzene
1175	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1176	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1177	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1178	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1179	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1180	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1181	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1182	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1183	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1184	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1185	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1186	C₆H₁₂	hex-1-ene	¹A^'	C_s
1187	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1188	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1189	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1190	C₆H₁₀	Bicyclo[3.1.0]hexane	¹A^'	C_s
1191	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1192	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1193	C₃H₂O₃	vinylene carbonate
1194	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1195	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1196	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1197	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1198	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1199	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1200	C₅H₆O	2H-Pyran
1201	C₅H₆O	2-methylfuran	¹A^'	C_s
1202	C₅H₆O	3-Methylfuran	¹A^'	C_s
1203	C₅H₆O	Pentadienal
1204	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1205	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1206	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1207	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1208	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1209	C₃H₇ONO	Propyl nitrite	¹A	C₁
1210	C₅H₈O	Cyclopentanone	¹A	C₂
1211	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1212	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1213	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1214	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1215	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1216	C₄F₂	difluorobutadiyne
1217	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1218	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1219	C₂ClF₃	Ethene, chlorotrifluoro-
1220	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1221	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1222	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1223	C₂Br₄	tetrabromoethene
1224	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1225	SiF₅^-	silicon pentafluoride anion
1226	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1227	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1228	SF₅	Sulfur pentafluoride	²A₁	C_4v
1229	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1230	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
1231	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
1232	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1233	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1234	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
1235	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1236	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1237	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1238	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1239	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1240	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1241	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1242	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1243	C₄H₈O₂	Butanoic acid	¹A	C₁
1244	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1245	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1246	C₇H₁₄	cycloheptane	¹A	C₂
1247	CH(CN)₃	tricyanomethane
1248	HN=C=C(CN)₂	Dicyanoketenimine
1249	C₆H₁₅N	triethylamine	¹A	C₃
1250	C₅H₄O₂	furfural	¹A^'	OCCO cis
1251	C₅H₄O₂	furfural	¹A^'	OCCO trans
1252	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1253	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1254	C₅H₈O₂	Acetylacetone	¹A	C₂
1255	C₇H₁₀	Norbornene
1256	C₆H₁₂O	Oxepane
1257	C₃H₇OC₃H₇	di-n-propyl ether	¹A₁	C_2v
1258	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
1259	F₂CCCF₂	tetrafluoroallene
1260	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1261	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1262	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1263	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1264	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1265	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1266	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1267	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1268	C₈H₆	Calicene	¹A₁	C_2v
1269	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1270	C₈H₆	Pentalene	¹A_g	C_2h
1271	C₈H₈	cubane	¹A_1G	O_h
1272	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1273	C₈H₁₆	cyclooctane	¹A₁	D_4d
1274	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1275	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1276	S₄N₄	Tetrasulfur tetranitride
1277	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1278	C₅H₉NO₂	Proline	¹A	C₁
1279	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1280	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1281	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1282	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
1283	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h
1284	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1285	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1286	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1287	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1288	C₆H₄Cl₂	1,4-dichlorobenzene
1289	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1290	C₉H₈	Indene	¹A^'	C_s
1291	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1292	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1293	C₉H₂₀	Nonane	¹A₁	C_2v
1294	C(CN)₄	tetracyanomethane	¹A₁	T_d
1295	C₅H₄N₄	purine	¹A	C_s
1296	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1297	CH₃COC₆H₅	acetophenone	¹A	C₁
1298	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	¹A₁^'	D_3h
1299	C₃F₆	hexafluoropropene
1300	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1301	C₈H₁₈O	1-Octanol
1302	C₁₀H₈	Azulene	¹A₁	C_2v
1303	C₁₀H₈	naphthalene	¹A_g	D_2h
1304	C₁₀H₁₀	bullvalene
1305	C₆N₄	Tetracyanoethylene	¹A_G	D_2h
1306	C₁₀H₂₂	Decane	¹A_G	C_2h
1307	C₄F₆	perfluorobutadiene	¹A_g	C_2h
1308	C₄F₆	perfluorobutadiene	¹A	C₂
1309	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1310	C₁₂H₈	biphenylene	¹A_g	D_2h
1311	C₁₂H₁₀	Heptalene	¹A	C₂
1312	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
1313	S₂F₁₀	disulphur decafluoride
1314	C₁₃H₁₀	Fluorene
1315	C₁₄H₁₄	Bibenzyl	¹A	C₂
1316	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1317	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1318	C₁₆H₁₀	Pyrene	¹A_g	D_2h
1319	C₁₉H₁₆	Triphenylmethane	¹A	C₃
1320	C₂₄H₁₂	Coronene	¹A_1G	D_6h
1321	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	HI⁺	Hydrogen iodide cation	hi+
97	H₂F⁺	dihydrogen fluoride cation	h2f+
98	H₂I⁺	Iodonium	h2i+
99	Ne^-	Neon atom anion	ne-
100	Ar^-	Argon atom anion	ar-
101	Ar⁺	Argon atom cation	ar+
102	Fe	Iron atom	fe
103	Xe	Xenon atom	xe
104	NeH⁺	neon hydrogen cation	neh+
105	XeH⁺	Xenon, protonated	xeh+
106	Co	Cobalt atom	cobalt
107	Ni	Nickel atom	ni
108	Li₂^-	lithium diatomic anion	li2-
109	Li₂⁺	lithium diatomic cation	li2+
110	NaLi^-	lithium sodium anion	lina-
111	NaLi⁺	lithium sodium cation	lina+
112	Cu₂	Copper diatomic	cu2
113	Be₂^-	Beryllium diatomic anion	be2-
114	Be₂⁺	Beryllium diatomic cation	be2+
115	Mg₂^-	magnesium diatomic anion	mg2-
116	Mg₂⁺	magnesium diatomic cation	mg2+
117	B₂^-	Boron diatomic anion	b2-
118	Al₂	Aluminum diatomic	al2
119	Al₂^-	aluminum diatomic anion	al2-
120	Al₂⁺	aluminum diatomic cation	al2+
121	BC^-	boron monocarbide anion	bc-
122	BC⁺	boron monocarbide cation	bc+
123	C₂^-	carbon diatomic anion	c2-
124	SiC^-	silicon monocarbide anion	sic-
125	SiC⁺	silicon monocarbide cation	sic+
126	Si₂	Silicon diatomic	si2
127	Si₂^-	silcon diatomic anion	si2-
128	Si₂⁺	silcon diatomic cation	si2+
129	C₂H⁺	Ethynyl cation	c2h+
130	ZnCH₂	Zinc methylene	znch2
131	CCH₂	vinylidene	vinylidene
132	CuCH₃	monomethyl copper	cuch3
133	ZnCH₃	Zinc monomethyl	znch3
134	CH₃CH	methylmethylene	ch3ch
135	CH₂SiH₂	silaethylene	ch2sih2
136	C₂H₅⁺	Ethyl cation	c2h5+
137	CH₃SiH₃	methyl silane	ch3sih3
138	LiN⁺	Lithium Nitride cation	lin+
139	BeN^-	Beryllium mononitride anion	ben-
140	BN^-	boron nitride anion	bn-
141	AlN^-	aluminum mononitride anion	aln-
142	AlN⁺	aluminum mononitride cation	aln+
143	BN⁺	boron nitride cation	bn+
144	AlN	Aluminum nitride	aln
145	CN⁺	Cyano cation	cn+
146	CP	Carbon monophosphide	cp
147	CP^-	carbon monophosphide anion	cp-
148	CP⁺	carbon monophosphide cation	cp+
149	SiN	Silicon nitride	sin
150	SiN^-	silicon mononitride anion	sin-
151	SiN⁺	silicon mononitride cation	sin+
152	SiP^-	Silicon monophosphide anion	sip-
153	SiP⁺	Silicon monophosphide cation	sip+
154	TiN	Titanium mononitride	tin
155	PN^-	phosphorus nitride anion	pn-
156	PN⁺	phosphorus nitride cation	pn+
157	P₂^-	phosphorus diatomic anion	p2-
158	P₂⁺	phosphorus diatomic cation	p2+
159	SbN	Antimony nitride	sbn
160	As₂	Arsenic diatomic	as2
161	HNB	hydrogen nitrogen boron	hnb
162	HNC	hydrogen isocyanide	hnc
163	HCN^-	Hydrogen cyanide anion	hcn-
164	HCP	Phosphaethyne	hcp
165	NNH	Dinitrogen monohydride	nnh
166	HPO	Hydrogen phosphorus oxide	hpo
167	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
168	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
169	H₂CN⁺	hydrocyanonium cation	h2cn+
170	HCNH⁺	N-protonated HCN	hcnh+
171	P₂H₄	Diphosphine	p2h4
172	CH₃PH₂	Methyl phosphine	ch3ph2
173	CH₃NH₃⁺	protonated methylamine	ch3nh3+
174	LiO^-	lithium oxide anion	lio-
175	LiO⁺	lithium oxide cation	lio+
176	NaO^-	sodium oxide anion	nao-
177	NaO⁺	sodium oxide cation	nao+
178	CuO	Copper Monoxide	cuo
179	BeO^-	Beryllium monoxide anion	beo-
180	BeS	beryllium sulfide	bes
181	MgO	magnesium oxide	mgo
182	MgO^-	magnesium oxide anion	mgo-
183	MgO⁺	magnesium oxide cation	mgo+
184	MgS	magnesium sulfide	mgs
185	MgS^-	magnesium sulfide anion	mgs-
186	MgS⁺	magnesium sulfide cation	mgs+
187	ZnO	zinc monoxide	zno
188	ZnS	Zinc sulfide	zns
189	BeS^-	Beryllium monosulfide anion	bes-
190	BeS⁺	Beryllium monosulfide cation	bes+
191	BO^-	boron monoxide anion	bo-
192	AlO	Aluminum monoxide	alo
193	AlO^-	Aluminum monoxide anion	alo-
194	AlO⁺	aluminum monoxide cation	alo+
195	BS	boron sulfide	bs
196	BS^-	boron monosulfide anion	bs-
197	BS⁺	boron monosulfide cation	bs+
198	AlS	Aluminum sulfide	als
199	AlS^-	aluminum monosulfide anion	als-
200	AlS⁺	aluminum monosulfide cation	als+
201	BO⁺	boron monoxide cation	bo+
202	CS	carbon monosulfide	cs
203	CS^-	carbon monosulfide anion	cs-
204	CS⁺	carbon monosulfide cation	cs+
205	SiO^-	silicon monoxide anion	sio-
206	SiO⁺	silicon monoxide cation	sio+
207	SiS^-	silicon monosulfide anion	sis-
208	SiS⁺	silicon monosulfide cation	sis+
209	CSe^-	Carbon monoselenide anion	cse-
210	CSe⁺	Carbon monoselenide cation	cse+
211	NS⁺	nitrogen sulfide cation	ns+
212	PO^-	phosphorus monoxide anion	po-
213	PO⁺	phosphorus monoxide cation	po+
214	PS^-	phosphorus monosulfide anion	ps-
215	PS⁺	phosphorus monosulfide cation	ps+
216	AsO	Arsenic monoxide	aso
217	SO^-	sulfur monoxide anion	so-
218	S₂^-	sulfur diatomic anion	s2-
219	S₂⁺	sulfur diatomic cation	s2+
220	SeO^-	selenium monoxide anion	seo-
221	SeO⁺	selenium monoxide cation	seo+
222	SeS	Selenium monosulfide	ses
223	SeS^-	selenium monosulfide anion	ses-
224	SeS⁺	selenium monosulfide cation	ses+
225	TeO	Tellurium monoxide	teo
226	Se₂^-	selenium diatomic anion	se2-
227	Se₂⁺	selenium diatomic cation	se2+
228	Te₂	Tellurium diatomic	te2
229	NaOH	sodium hydroxide	naoh
230	MgOH	magnesium hydroxide	mgoh
231	CaOH	Calcium monohydroxide	caoh
232	HCS	Thioformyl radical	hcs
233	HCS^-	Thioformyl anion	hcs-
234	HCS⁺	Thioformyl cation	hcs+
235	HNO^-	Nitrosyl hydride anion	hno-
236	HNS	Sulfur imide	hns
237	HO₂^-	Hydroperoxy anion	ho2-
238	CH₃O	Methoxy radical	ch3o
239	CH₃S	thiomethoxy	ch3s
240	CH₃SeH	Methane selenol	ch3seh
241	H₂ONH₃	Water Ammonia Dimer	h2onh3
242	LiCl^-	lithium chloride anion	licl-
243	LiCl⁺	lithium chloride cation	licl+
244	NaF^-	sodium fluoride anion	naf-
245	KF	Potassium Fluoride	kf
246	NaCl^-	sodium chloride anion	nacl-
247	NaCl⁺	sodium chloride cation	nacl+
248	KCl	Potassium Chloride	kcl
249	CuF	Copper monofluoride	cuf
250	LiBr^-	lithium bromide anion	libr-
251	LiBr⁺	lithium bromide cation	libr+
252	CuCl	Copper monochloride	cucl
253	NaBr	Sodium Bromide	nabr
254	NaBr^-	sodium bromide anion	nabr-
255	NaBr⁺	sodium bromide cation	nabr+
256	KBr	Potassium Bromide	kbr
257	LiI	Lithium Iodide	lii
258	NaI	Sodium Iodide	nai
259	KI	Potassium Iodide	ki
260	LiF^-	lithium fluoride anion	lif-
261	BeF	Beryllium monofluoride	bef
262	BeF⁺	Beryllium monofluoride cation	bef+
263	BeCl	beryllium monochloride	becl
264	MgF	Magnesium monofluoride	mgf
265	MgF^-	magnesium fluoride anion	mgf-
266	CaF	Calcium monofluoride	caf
267	MgCl	magnesium monochloride	mgcl
268	MgCl^-	magnesium monochloride anion	mgcl-
269	MgCl⁺	magnesium monochloride cation	mgcl+
270	CaCl	calcium monochloride	cacl
271	ZnF^-	Zinc monofluoride anion	znf-
272	ZnF⁺	Zinc monofluoride cation	znf+
273	ZnCl	Zinc monochloride	zncl
274	BeCl^-	beryllium monochloride anion	becl-
275	BeCl⁺	beryllium monochloride cation	becl+
276	BF^-	Boron monofluoride anion	bf-
277	BF⁺	Boron monofluoride cation	bf+
278	AlF^-	Aluminum monofluoride anion	alf-
279	AlF⁺	Aluminum monofluoride cation	alf+
280	BCl	boron monochloride	bcl
281	BCl^-	boron monochloride anion	bcl-
282	BCl⁺	boron monochloride cation	bcl+
283	AlCl^-	aluminum monochloride anion	alcl-
284	AlCl⁺	aluminum monochloride cation	alcl+
285	AlI	Aluminum monoiodide	ali
286	CF^-	carbon monofluoride anion	cf-
287	CF⁺	carbon monofluoride cation	cf+
288	CCl	carbon monochloride	ccl
289	CCl^-	carbon monochloride anion	ccl-
290	CCl⁺	carbon monochloride cation	ccl+
291	SiCl^-	silicon monochloride anion	sicl-
292	SiCl⁺	silicon monochloride cation	sicl+
293	NF	nitrogen fluoride	nf
294	NF^-	nitrogen monofluorine anion	nf-
295	NF⁺	nitrogen monofluoirde cation	nf+
296	NCl^-	nitrogen monochloride anion	ncl-
297	NCl⁺	nitrogen monochloride cation	ncl+
298	PF	phosphorus monofluoride	pf
299	PF^-	phosphorus monofluoride anion	pf-
300	PF⁺	phosphorus monofluoride cation	pf+
301	PCl	phosphorus chloride	pcl
302	PCl^-	phosphorus monochloride anion	pcl-
303	PCl⁺	phosphorus monochloride cation	pcl+
304	SbF	Antimony monofluoride	sbf
305	SbCl	Antimony monochloride	sbcl
306	FO^-	flourine oxide anion	fo-
307	FO⁺	fluorine monoxide cation	fo+
308	ClO^-	chlorine monoxide anion	clo-
309	SF^-	sulfur monofluoride anion	sf-
310	SCl^-	sulfur monochloride anion	scl-
311	IO	Iodine monoxide	io
312	ClF^-	clorine monofluoride anion	clf-
313	BrF^-	bromine fluoride anion	brf-
314	BrF⁺	bromine fluoride cation	brf+
315	BrCl^-	bromine chloride anion	brcl-
316	BrCl⁺	bromine chloride cation	brcl+
317	IF	Iodine monofluoride	if
318	ICl	Iodine monochloride	icl
319	IBr	Iodine monobromide	ibr
320	I₂	Iodine diatomic	i2
321	I₂⁺	Iodine diatomic cation	i2+
322	DOCl	Hypochlorous acid-d	docl
323	HOI	Hypoiodous acid	hoi
324	FHF	Hydrogen difluoride	fhf
325	NH₂F	monofluoroamine	nh2f
326	H₂F₂	Hydrogen fluoride dimer	h2f2
327	CH₃I	methyl iodide	ch3i
328	SiH₃I	Silyl Iodide	sih3i
329	C₃⁺	carbon trimer cation	c3+
330	C₃H₃	Propargyl radical	propargyl
331	C₃H₃^-	Propargyl anion	c3h3-
332	C₃H₃⁺	cyclopropenyl cation	cpr+
333	C₃H₃⁺	Propargyl cation	c3h3+
334	Zn(CH₃)₂	dimethyl zinc	dmz
335	SiH₂(CH₃)₂	dimethylsilane	dms
336	CuCN	Copper cyanide	cucn
337	N₃^-	azide anion	n3-
338	HCNN	diazomethyl radical	hcnn
339	CH₂N₂	diazirine	ch2n2
340	CH₂NN	diazomethane	ch2nn
341	CH₃NC	methyl isocyanide	ch3nc
342	NHCHNH₂	aminomethanimine	cn2h4
343	C₂H₅N	Aziridine	c2h5n
344	CH₂CHNH₂	aminoethene	aminoethene
345	CH₂NCH₃	N-methylmethanimine	nmm
346	NH₂BHNH₂	diaminoborane	nh2bhnh2
347	CH₃NHCH₃	Dimethylamine	ch3nhch3
348	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
349	CNO^-	fulminate	cno-
350	NCO^-	cyanate	nco-
351	SCN	thiocyanato radical	scn
352	SCN^-	thiocyanide anion	scn-
353	BO₂	Boron dioxide	bo2
354	BO₂^-	Boron dioxide anion	bo2-
355	BO₂⁺	Boron dioxide cation	bo2+
356	N₂O⁺	Nitrous oxide cation	n2o+
357	CO₂^-	Carbon dioxide anion	co2-
358	OCS⁺	Carbonyl sulfide cation	cos+
359	SiO₂	silicon dioxide	sio2
360	CS₂⁺	Carbon disulfide cation	cs2+
361	SCTe	Carbon sulfide Telluride	scte
362	NO₂^-	Nitrogen dioxide anion	no2-
363	PO₂	Phosphorus dioxide	po2
364	PO₂^-	Phosphorus dioxide anion	po2-
365	PO₂⁺	Phosphorus dioxide cation	po2+
366	O₃^-	Ozone anion	o3-
367	O₃⁺	Ozone cation	o3+
368	SO₂^-	Sulfur dioxide anion	so2-
369	SO₂⁺	Sulfur dioxide cation	so2+
370	TeO₂	Tellurium Dioxide	teo2
371	CS₂H⁺	Carbon disulfide, protonated	cs2h+
372	HNCO	Isocyanic acid	hnco
373	HOCN	cyanic acid	hocn
374	HCO₂^-	formate anion	hco2-
375	HNNO	nitrosoazane	hnno
376	HOCO⁺	Hydrocarboxyl cation	hoco+
377	HNO₂	Nitrous acid	hno2
378	HNO₂⁺	nitrous acid cation	hno2+
379	CH₂CO⁺	Ketene cation	ch2co+
380	HCCOH	ethynol	hccoh
381	CH₂O₂	Dioxirane	diox
382	CH₂CHO	Vinyloxy radical	ch2cho
383	CH₃CO	Acetyl radical	ch3co
384	CH₃CO^-	Acetyl anion	ch3co-
385	CH₃CO⁺	acetyl cation	ch3co+
386	CH₂OOH	CH2OOH radical	ch2ooh
387	CH₃OO	methylperoxy radical	ch3oo
388	CH₃OO^-	methylperoxy anion	ch3oo-
389	CH₃OO⁺	methylperoxy cation	ch3oo+
390	CH₂CHOH	ethenol	ch2choh
391	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
392	CH₃OOH	Methyl peroxide	ch3ooh
393	H₂OH₂CO	water formaldehyde dimer	h2oh2co
394	CH₃OHH₂O	methanol water dimer	ch3ohh2o
395	H₂OCH₃OH	water methanol dimer	h2och3oh
396	ZnF₂	Zinc difluoride	znf2
397	FCN	Cyanogen fluoride	fcn
398	ClCN	chlorocyanogen	clcn
399	ICN	Cyanogen iodide	icn
400	MgCl₂	Magnesium dichloride	mgcl2
401	ZnCl₂	Zinc dichloride	zncl2
402	CaF₂	Calcium difluoride	caf2
403	BrNO	Nitrosyl bromide	brno
404	INO	Nitrosyl iodide	ino
405	CF₂^-	Difluoromethylene anion	cf2-
406	CF₂⁺	Difluoromethylene cation	cf2+
407	CCl₂	dichloromethylene	ccl2
408	CCl₂^-	dichloromethylene anion	ccl2-
409	CCl₂⁺	dichloromethylene cation	ccl2+
410	SiCl₂	Dichlorosilylene	sicl2
411	FOO	Dioxygen monofluoride radical	foo
412	ClOO	chloroperoxy radical	cloo
413	ClOO⁺	chloroperoxy cation	cloo+
414	OClO⁺	Chlorine dioxide cation	oclo+
415	ClS₂	Sulfur chloride	cls2
416	NF₂	Difluoroamino radical	nf2
417	NF₂⁺	Difluoroamino cation	nf2+
418	F₂O	Difluorine monoxide	f2o
419	SF₂⁺	sulfur difluoride cation	sf2+
420	Cl₂O	Dichlorine monoxide	cl2o
421	BrOCl	Bromine hypochlorite	brocl
422	BrOBr	Bromine oxide	brobr
423	I₃^-	triiodide	i3-
424	HCCF⁺	fluoroacetylene cation	hccf+
425	HFCO	formyl fluoride	hfco
426	COHCl	Formyl chloride	cohcl
427	COHBr	Formyl bromide	cohbr
428	BHF₂	Difluoroborane	bhf2
429	BHCl₂	Borane, dichloro-	bhcl2
430	HOClO	Chlorous acid	hoclo
431	CH₂FCl	fluorochloromethane	ch2fcl
432	CH₂FI	fluoroiodomethane	ch2fi
433	CH₂ClI	chloroiodomethane	ch2cli
434	CH₂BrI	bromoiodomethane	ch2bri
435	CH₂I₂	Diiodomethane	ch2i2
436	CH₂CHF⁺	fluoroethene cation	ch2chf+
437	C₂H₃Cl	Ethene, chloro-	ch2chcl
438	C₂H₃Br	vinyl bromide	c2h3br
439	C₂H₃I	Vinyl iodide	c2h3i
440	C₂H₅F	fluoroethane	c2h5f
441	CH₃CH₂Cl	Ethyl chloride	c2h5cl
442	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
443	C₂H₅I	Ethyl iodide	c2h5i
444	XeF₂	Xenon difluoride	xef2
445	C₄⁺	Carbon tetramer cation	c4+
446	C₂H₃CCH	1-Buten-3-yne	c2h3cch
447	H₂CCCCH₂	Butatriene	h2cccch2
448	C₄H₆	Cyclobutene	c822355
449	C₄H₆	Methylenecyclopropane	c6142730
450	CH₂CCHCH₃	1,2-Butadiene	butad12
451	CH₃CCCH₃	2-Butyne	c503173
452	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
453	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
454	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
455	B(CH₃)₃	trimethylborane	bme3
456	Al(CH₃)₃	trimethyl aluminum	tma
457	C(CH₃)₃	Tert-butyl radical	tbutyl
458	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
459	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
460	CH₃CH(CH₃)CH₃	Isobutane	isobutane
461	SiH(CH₃)₃	trimethylsilane	trimsi
462	C₂N₂⁺	Cyanogen cation	c2n2+
463	P₄	Phosphorus tetramer	p4
464	HCCCN	Cyanoacetylene	hcccn
465	C₃H₃N	acrylonitrile	ch2chcn
466	C₃H₇N	Cyclopropylamine	cpram
467	C₃H₇N	Azetidine	azet
468	C₂H₈N₂	Ethylenediamine	ethdiam
469	CH₃NHNHCH₃	dimethyl hydrazine	dmh
470	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
471	N(CH₃)₃	Trimethylamine	trimeam
472	As(CH₃)₃	trimethyl arsine	tmas
473	Li₂O₂	dilithium dioxide	li2o2
474	Na₂O₂	disodium dioxide	na2o2
475	B₂O₂	Diboron dioxide	b2o2
476	CO₃	Carbon trioxide	co3
477	CO₃^--	carbonate	co3--
478	NO₃	Nitrogen trioxide	no3
479	SO₃^-	Sulfur trioxide anion	so3-
480	SO₃⁺	Sulfur trioxide cation	so3+
481	TeO₃	Tellurium trioxide	teo3
482	HCO₃^-	bicarbonate anion	hco3-
483	C₂H₂CO	cyclopropenone	c2h2co
484	HCCCHO	2-propynal	hcccho
485	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
486	H₂CS₃	thiocarbonic acid	h2cs3
487	CH₃COO^-	acetate anion	ch3coo-
488	CH₃ONO	Methyl nitrite	ch3ono
489	H₃BO₃	Boric acid	h3bo3
490	C₃H₄O	2-Propyn-1-ol	c107197
491	C₃H₄O	allenol	c9000071
492	C₃H₄O	Cyclopropanone	cpone
493	C₃H₄O	Methylketene	c6004440
494	NH₂CONH₂⁺	Urea cation	urea+
495	NH₂CSNH₂	Thiourea	thiourea
496	C₂H₄O₂	1,3-dioxetane	c2h4o2
497	CH₃COOH	Acetic acid	ch3cooh
498	CH₃OCHO	methyl formate	ch3ocho
499	CHOCH₂OH	hydroxy acetaldehyde	haa
500	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
501	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
502	HCOOHH₂O	Formic acid water dimer	hcoohh2o
503	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
504	CH₃CONH₂	Acetamide	acetamide
505	C₃H₆O	Propylene oxide	prox
506	C₃H₆S	Thietane	thietane
507	C₃H₆S	Thiirane, methyl-	methiirane
508	C₂H₆O₂	1,2-Ethanediol	ethdiol
509	CH₃OOCH₃	dimethylperoxide	dmp
510	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
511	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
512	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
513	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
514	C₃H₇SH	1-Propanethiol	prsh
515	CH₃CHSHCH₃	2-Propanethiol	isoprsh
516	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
517	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
518	Na₂F₂	Sodium Fluoride Dimer	na2f2
519	Na₂Cl₂	Disodium dichloride	na2cl2
520	C₂F₂	difluoroacetylene	c2f2
521	C₂Cl₂	dichloroacetylene	c2cl2
522	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
523	ClNO₂	Nitryl chloride	clno2
524	BrONO	Bromine nitrite	brono
525	N₂F₂	(Z)-Difluorodiazene	n2f2_z
526	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
527	COFCl	Carbonic chloride fluoride	cofcl
528	CCl₂O	Phosgene	cl2co
529	COBr₂	Carbonic dibromide	cobr2
530	BF₃^-	Borane, trifluoro- anion	bf3-
531	AlF₂Cl	Aluminum chloride difluoride	alclf2
532	AlFCl₂	Aluminum dichloride fluoride	alcl2f
533	AlCl₃	Aluminum trichloride	alcl3
534	AlBr₃	Aluminum Bromide	albr3
535	ClO₃	Chlorine trioxide	clo3
536	ClO₃^-	chlorate anion	clo3-
537	BrO₃^-	Bromate anion	bro3-
538	CF₃	Trifluoromethyl radical	cf3
539	CCl₃	Trichloromethyl radical	ccl3
540	CCl₃^-	Trichloromethyl anion	ccl3-
541	CCl₃⁺	Trichloromethyl cation	ccl3+
542	SiCl₃	trichlorosilyl radical	sicl3
543	SiCl₃⁺	trichlorosilyl cation	sicl3+
544	FSSF	Difluorodisulfane	fssf
545	S₂F₂	Thio-thionyl fluoride	s2f2
546	SOCl₂	thionyl chloride	socl2
547	SeOCl₂	selenium oxychloride	seocl2
548	NF₃^-	Nitrogen trifluoride anion	nf3-
549	NF₃⁺	Nitrogen trifluoride cation	nf3+
550	PF₃	Phosphorus trifluoride	pf3
551	AsF₃	Arsenic trifluoride	asf3
552	PCl₃	Phosphorus trichloride	pcl3
553	SbF₃	Antimony Trifluoride	sbf3
554	SbCl₃	Antimony Trichloride	sbcl3
555	AsBr₃	Arsenic tribromide	asbr3
556	NI₃	Nitrogen triiodide	ni3
557	PI₃	Phosphorus triiodide	pi3
558	ClSSCl	Disulfur dichloride	s2cl2
559	BrF₃	Bromine trifluoride	brf3
560	IF₃	iodone trifluoride	if3
561	CHF₂Cl	difluorochloromethane	chf2cl
562	CHFCl₂	fluorodichloromethane	chfcl2
563	SiHCl₃	Trichlorosilane	sihcl3
564	CHF₂I	difluoroiodomethane	chf2i
565	CHFClI	fluorochloroiodomethane	chfcli
566	CHCl₂I	dichloroiodomethane	chcl2i
567	CHClBr₂	Methane, dibromochloro-	chclbr2
568	CHBr₃	bromoform	chbr3
569	CHI₃	Iodoform	chi3
570	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
571	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
572	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
573	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
574	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
575	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
576	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
577	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
578	CH₃COF	Acetyl fluoride	ch3cof
579	CH₃COCl	Acetyl Chloride	ch3cocl
580	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
581	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
582	CH₂CFCH₃	2-fluoropropene	2fpro
583	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
584	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
585	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
586	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
587	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
588	C₅H₅^-	cylopentadienyl anion	c5h5-
589	C₅H₆	1,3-Cyclopentadiene	c542927
590	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
591	C₅H₆	3-Penten-1-yne, (E)-	c2004695
592	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
593	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
594	C₅H₆	Cyclopropylacetylene	c6746947
595	C₅H₇	1,3-pentadienyl radical	pdyl
596	C₅H₇	cyclopentenyl radical	cpyl
597	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
598	C₅H₈	1,2-Pentadiene	c591957
599	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
600	C₅H₈	1,3-Pentadiene, (E)-	c2004708
601	C₅H₈	1,4-Pentadiene	c591935
602	C₅H₈	2,3-Pentadiene	c591968
603	C₅H₈	Cyclobutane, methylene-	c1120565
604	C₅H₈	Cyclopentene	c142290
605	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
606	C₅H₁₀	1-Butene, 2-methyl-	c563462
607	C₅H₁₀	2-Butene, 2-methyl-	c513359
608	C₅H₁₀	2-Pentene, (E)-	c646048
609	C₅H₁₀	2-Pentene, (Z)-	c627203
610	C₅H₁₀	Cyclopentane	c287923
611	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
612	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
613	C₅H₁₂	Butane, 2-methyl-	buta2
614	C₅H₁₂	Pentane	pentane
615	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
616	Si(CH₃)₄	tetramethylsilane	tms
617	N₂O₃	Dinitrogen trioxide	n2o3
618	C₃H₂N₂	Malononitrile	c3h2n2
619	C₂H₃N₃	1H-1,2,4-Triazole	c288880
620	C₃H₄N₂	1H-Pyrazole	1hpyraz
621	C₄H₅N	(E)-2-Butenenitrile	c627269
622	C₄H₅N	(Z)-2-Butenenitrile	c1190767
623	C₄H₅N	2H-pyrrole	pyrrole2
624	C₄H₅N	3H-pyrrole	pyrrole3
625	C₄H₅N	Cyclopropanecarbonitrile	c5500210
626	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
627	C₃H₆N₂	3-Aminopropionitrile	c151188
628	C₅H₈	Bicyclo[2.1.0]pentane	c185944
629	C₅H₈	Spiropentane	c157404
630	C₄H₉N	Cyclobutylamine	cbam
631	C₄H₉N	Pyrrolidine	pyrrolidine
632	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
633	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
634	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
635	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
636	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
637	C₃O₂⁺	Carbon suboxide cation	c3o2+
638	CaCO₃	Calcium Carbonate	caco3
639	PO₄^---	phosphate	po4---
640	SO₄^--	sulfate	so4--
641	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
642	H₂SO₄	Sulfuric acid	h2so4
643	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
644	CH₃NO₃	Methyl nitrate	ch3no3
645	C₄H₄O⁺	Furan cation	furan+
646	C₄H₄S	Thiophene	furans
647	C₃H₄O₂	β–Propiolactone	beta
648	C₃H₄O₂	2-Propenoic acid	propenoic2
649	C₃H₄O₂	propanedial	propanedial
650	C₃H₄O₂	propenalol	propenalol
651	C₂H₄O₃	trioxolane124	triox
652	HOCH₂COOH	Hydroxyacetic acid	hac
653	CH₂CHCONH₂	Acrylamide	c79061
654	CH₅N₃S	Hydrazinecarbothioamide	c79196
655	H₂NCH₂COOH	Glycine	glycine
656	C₄H₆O	cis-2-butenal	butenal2c
657	C₄H₆O	Cyclobutanone	cbutone
658	C₄H₆O	Furan, 2,3-dihydro-	furan23h
659	C₄H₆O	Furan, 2,5-dihydro-	furan25h
660	CHOCHCHCH₃	2-Butenal	butenal2
661	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
662	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
663	C₂H₆N₂O	Urea, methyl-	c598505
664	C₃H₆O₂	1,3-Dioxolane	dioxolane
665	CH₃COOCH₃	methyl acetate	aame
666	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
667	C₃H₇NO	dimethylformamide	dmf
668	C₃H₇NO	Propanamide	propanam
669	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
670	C₄H₈O	Cyclobutanol	c2919235
671	C₄H₈O	Furan, tetrahydro-	thf
672	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
673	CH₃COCH₂CH₃	2-Butanone	buta2one
674	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
675	CHOCH₂CH₂CH₃	Butanal	butanal
676	C₃H₈O₂	1,3-Propanediol	c504632
677	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
678	C₃H₈O₂	Methane, dimethoxy-	c109875
679	C₃H₈O₂	Propylene glycol	c57556
680	C₃H₈S₂	1,3-Propanedithiol	c109808
681	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
682	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
683	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
684	C₄H₁₀O	Propane, 2-methoxy-	c598538
685	C₄H₁₀O⁺	1-Butanol cation	butanol1+
686	C₂H₅SC₂H₅	Diethyl sulfide	etset
687	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
688	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
689	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
690	FNO₃	Fluorine nitrate	fno3
691	TiCl₄	Titanium tetrachloride	ticl4
692	ClO₄^-	perchlorate anion	clo4-
693	BF₄^-	tetrafluoroboron anion	bf4-
694	ClFO₃	Perchloryl fluoride	clfo3
695	SO₂Cl₂	Sulfuryl chloride	so2cl2
696	F₃NO	Nitrogen trifluoride oxide	f3no
697	F₃PO	Phosphoryl fluoride	pf3o
698	Cl₃PO	Phosphoryl chloride	pcl3o
699	CF₄	Carbon tetrafluoride	cf4
700	SiF₄	Silicon tetrafluoride	sif4
701	CFCl₃	Trichloromonofluoromethane	cfcl3
702	CCl₄⁺	Carbon tetrachloride cation	ccl4+
703	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
704	SiCl₄	Silane, tetrachloro-	sicl4
705	CF₃I	trifluoroiodomethane	cf3i
706	CCl₃I	trichloroiodomethane	ccl3i
707	CFClBrI	fluorochlorobromoiodomethane	cfclbri
708	CF₂I₂	difluorodiiodomethane	cf2i2
709	CCl₂I₂	dichlorodiiodomethane	ccl2i2
710	CBr₃I	tribromoiododmethane	cbr3i
711	CI₄	tetraiodomethane	ci4
712	SiI₄	silicon tetraiodide	sii4
713	C₂HF₃	Trifluoroethylene	c2hf3
714	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
715	CHClCCl₂	Trichloroethylene	chclccl2
716	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
717	HSO₃F	Fluorosulfonic acid	hso3f
718	CHClCCHCl	1,3-dichloroallene	chclcchcl
719	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
720	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
721	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
722	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
723	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
724	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
725	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
726	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
727	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
728	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
729	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
730	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
731	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
732	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
733	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
734	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
735	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
736	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
737	C₄H₉F	1-fluorobutane	butaf1
738	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
739	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
740	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
741	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
742	XeF₄	Xenon tetrafluoride	xef4
743	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
744	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
745	C₆H₄	Benzyne	benzyne
746	C₆H₅	phenyl	phenyl
747	C₆H₆	2,4-Hexadiyne	hexadiyne
748	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
749	C₆H₆⁺	Benzene cation	c6h6+
750	C₆H₈	(E)-hexa-1,3,5-triene	c821078
751	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
752	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
753	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
754	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
755	C₆H₈	3-Methylenecyclopentene	c930267
756	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
757	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
758	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
759	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
760	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
761	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
762	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
763	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
764	C₆H₁₀	1-Hexyne	hexyne1
765	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
766	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
767	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
768	C₆H₁₀	2-Hexyne	c764352
769	C₆H₁₀	cyclohexene	cyclohexene
770	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
771	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
772	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
773	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
774	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
775	C₆H₁₂	(E)-2-Hexene	e2hexene
776	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
777	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
778	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
779	C₆H₁₂	3-methylenepentane	c760214
780	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
781	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
782	C₆H₁₂	Cyclohexane	cyclohexane
783	C₆H₁₂	Cyclopentane, methyl-	c96377
784	C₆H₁₂	Ethylcyclobutane	c4806615
785	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
786	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
787	C₆H₁₄	Hexane	hexane
788	C₆H₁₄	Pentane, 2-methyl-	penta2
789	C₆H₁₄	Pentane, 3-methyl-	penta3
790	C₄N₂	2-Butynedinitrile	c4n2
791	C₂H₂N₄	sym-tetrazine	ttz
792	C₃H₃N₃	1,3,5-Triazine	triazine135
793	CH₃N₅	5-Aminotetrazole	c4418615
794	C₄H₄N₂	1,3-Diazine	diazine13
795	C₄H₄N₂	Pyrazine	pyrazine
796	C₄H₄N₂	Pyridazine	pyridazine
797	C₄H₄N₂	Succinonitrile	c110612
798	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
799	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
800	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
801	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
802	C₅H₅N	E-2,4-pentadienenitrile	bdcn
803	C₅H₅N	Pyridine	pyridine
804	B₃N₃H₆	borazine	borazine
805	C₆H₆	Fulvene	fulvene
806	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
807	C₅H₇N	(E)-2-Pentenenitrile	c26294984
808	C₅H₇N	(E)-3-Pentenenitrile	c16529661
809	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
810	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
811	C₅H₇N	Cyclobutanecarbonitrile	c4426113
812	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
813	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
814	C₅H₉N	Pentanenitrile	c110598
815	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
816	C₅H₁₁N	Cyclopentanamine	cypentam
817	C₅H₁₁N	Piperidine	piper
818	C₄H₁₂N₂	1,2-Butanediamine	c4426486
819	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
820	Li₂CO₃	Lithium Carbonate	li2co3
821	C₂O₄^--	oxalate anion	c2o4
822	N₂O₄	Dinitrogen tetroxide	n2o4
823	C₂H₃NO₃	Oxamic acid	oxamic
824	C₄H₄O₂	2(5H)-Furanone	furanone
825	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
826	C₂H₄N₂O₂	Oxalamide	oxalamide
827	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
828	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
829	C₄H₅NO	3-Methylisoxazole	isox3m
830	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
831	C₄H₅NS	4-Methylthiazole	c693958
832	C₅H₆S	Thiophene, 2-methyl-	c554143
833	C₅H₆S	Thiophene, 3-methyl-	c616444
834	C₄H₆O₂	2,3-Butanedione	c431038
835	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
836	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
837	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
838	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
839	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
840	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
841	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
842	C₄H₆OS	Vinyl sulfoxide	c1115157
843	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
844	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
845	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
846	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
847	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
848	C₄H₇NO	2-Pyrrolidinone	c616455
849	C₄H₇NO	Methacrylamide	c79390
850	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
851	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
852	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
853	CH₃CH(NH₂)COOH	Alanine	alanine
854	CH₃NHCH₂COOH	Sarcosine	sarcosine
855	NH₂CH₂CH₂COOH	β–alanine	betaalanine
856	NH₂COOC₂H₅	Urethane	urethane
857	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
858	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
859	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
860	NH₂CONHC₂H₅	Urea, ethyl-	c625525
861	C₄H₈O₂	1,3-Dioxane	dioxan13
862	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
863	C₄H₈O₂	1,4-Dioxane	dioxan14
864	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
865	C₄H₈OS	s-Ethyl thioacetate	c625605
866	C₃H₈O₃	1,2,3-Propanetriol	glycerin
867	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
868	C₄H₉NO	Butanamide	c541355
869	C₄H₉NO	Propanamide, 2-methyl-	c563837
870	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
871	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
872	C₅H₁₀O	2-Pentanone	mpk
873	C₅H₁₀O	Cyclopentanol	c96413
874	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
875	C₅H₁₀O	Pentanal	pal
876	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
877	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
878	C₅H₁₀S	Cyclopentanethiol	c1679078
879	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
880	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
881	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
882	C₄H₁₀O₂	1,3-Butanediol	budiol13
883	C₄H₁₀O₂	1,4-Butanediol	budiol14
884	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
885	C₄H₁₀OS	Diethyl sulfoxide	c70291
886	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
887	C₄H₁₁NO	Diethylhydroxylamine	c3710847
888	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
889	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
890	C₅H₁₂O	1-Pentanol	pentanol1
891	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
892	C₅H₁₂O	2-Pentanol	peol2
893	C₅H₁₂O	3-Pentanol	pentan3ol
894	C₅H₁₂O	Butane, 1-methoxy-	meobu
895	C₅H₁₂O	Propane, 1-ethoxy-	proet
896	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
897	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
898	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
899	C₅H₁₂S	1-Pentanethiol	c110667
900	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
901	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
902	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
903	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
904	C₅H₁₂S	Ethyl propyl sulfide	c4110503
905	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
906	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
907	CF₃CN	Acetonitrile, trifluoro-	cf3cn
908	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
909	B₂F₄	Diboron tetrafluoride	b2f4
910	C₂F₄	Tetrafluoroethylene	c2f4
911	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
912	C₂FCl₃	fluorotrichloroethene	c2fcl3
913	C₂Cl₄	Tetrachloroethylene	c2cl4
914	AsF₅	Arsenic pentafluoride	asf5
915	PCl₅	Phosphorus pentachloride	pcl5
916	SbCl₅	Antimony pentachloride	sbcl5
917	BrF₅	bromine pentafluoride	brf5
918	ClF₅	chlorinepentafluoride	clf5
919	IF₅	pentafluoroiodine	if5
920	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
921	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
922	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
923	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
924	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
925	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
926	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
927	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
928	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
929	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
930	C₆H₅CH₂	benzyl radical	benzyl
931	C₆H₅CH₃	toluene	toluene
932	C₇H₈	cycloheptatriene	cht
933	C₇H₈	Norbornadiene	norbor
934	C₇H₈	Quadricyclane	qucy
935	C₇H₁₂	Norbornane	nor
936	C₇H₁₆	2-methylhexane	2mhex
937	C₇H₁₆	3-methylhexane	hex3m
938	C₇H₁₆	heptane	heptane
939	C₆H₇N	2-Methylpyridine	mp
940	C₆H₅NH₂	aniline	aniline
941	C₆H₁₃N	2-Methylpiperidine	pip2m
942	C₆H₁₃N	cyclohexanamine	cham
943	N₂O₅	Dinitrogen pentoxide	n2o5
944	C₄H₂O₃	Maleic Anhydride	malan
945	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
946	C₆H₅O	phenoxy radical	phenoxy
947	C₅H₅NO	2(1H)-Pyridinone	c72762006
948	C₅H₅NO	2(3H)-Pyridinone	c9000048
949	C₅H₅NO	2(5H)-Pyridinone	c9000037
950	C₅H₅NO	2-Pyridinol	c109104
951	C₅H₅NO	3(2H)-Pyridinone	c9000004
952	C₅H₅NO	3(4H)-Pyridinone	c9000026
953	C₅H₅NO	3(6H)-Pyridinone	c9000015
954	C₅H₅NO	3-Pyridinol	c109002
955	C₅H₅NO	4(1H)-Pryidinone	c9000060
956	C₅H₅NO	4(3H)-Pryidinone	c9000059
957	C₅H₅NO	4-Pyridinol	c626642
958	C₆H₅OH	phenol	phenol
959	C₆H₆O	2,4-Cyclohexadienone	c24599573
960	C₆H₅SH	Benzenethiol	phsh
961	C₄H₈O₂S	Sulfolane	sulfolane
962	CH(C₂H₃)₃	trivinyl methane	tvm
963	C₆H₁₀O	cyclohexanone	chexo
964	C₆H₁₂O	hexanal	c6h12o
965	CF₃COCl	trifluoroacetyl chloride	cf3cocl
966	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
967	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
968	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
969	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
970	C₆H₅F	Fluorobenzene	bzf
971	C₆H₅Cl	chlorobenzene	bzcl
972	C₆H₅Br	bromobenzene	bzbr
973	C₆H₅CCH	phenylacetylene	phac
974	C₆H₅CHCH₂	Styrene	styrene
975	C₈H₈	cyclooctatetraene	cot
976	C₆H₅CH₂CH₃	Ethylbenzene	etbz
977	CH₃C₆H₄CH₃	meta-xylene	mxylene
978	CH₃C₆H₄CH₃	paraxylene	pxylene
979	C₈H₁₈	Octane	c8h18
980	C₆H₅CN	phenyl cyanide	phcn
981	C₄O₄^--	squarate dianion	c4o4--
982	S₈	Octasulfur	s8
983	C₆H₄O₂	parabenzoquinone	pbq
984	C₄H₄N₂O₂	Uracil	uracil
985	C₆H₅OCH₃	Anisole	anisole
986	C₆H₁₂O₂	Methyl pivalate	c598981
987	C₆H₁₂O₂	Hexanoic acid	hexa
988	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
989	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
990	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
991	C₂F₆	hexafluoroethane	c2f6
992	IF₇	Iodine heptafluoride	if7
993	C₆H₄F₂	metadifluorobenzene	mdfb
994	C₆H₄F₂	orthodifluorobenzene	odfb
995	C₈H₇N	Indole	indole
996	C₆H₅NO₂	Nitrobenzene	c6h5no2
997	C₆H₅COOH	benzoic acid	benzo
998	C₁₀H₁₆	adamantane	adamantane
999	C₆N₄^-	tetracyanoethylene anion	tcne-
1000	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1001	C₃F₈	perfluoropropane	c3f8
1002	Fe(CO)₅	Iron pentacarbonyl	ipc
1003	Fe(C₅H₅)₂	ferrocene	fecp2
1004	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1005	C₁₂H₈	Acenaphthylene	acenaph
1006	C₁₂H₁₀	biphenyl	biphenyl
1007	C₆F₆	hexafluorobenzene	c6f6
1008	C₁₄H₁₀	Anthracene	anth
1009	C₁₄H₁₀	Phenanthrene	phenanthrene
1010	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