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

List of which calculations are completed at MP2=FULL /cc-pVQZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	D₂	Deuterium diatomic	¹Σ_g	D_∞h
4	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
5	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
6	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
7	HD	Deuterium hydride	¹Σ_g	D_∞h
8	He	Helium atom	¹S	K_h
9	He	Helium atom
10	He^-	Helium atom anion	²S	K_h
11	He⁺	Helium atom cation	²S	K_h
12	HeH⁺	Helium hydride cation	¹Σ	C_∞v
13	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
14	Li	Lithium atom	²S	K_h
15	Li^-	Lithium atom anion	¹S	K_h
16	Li⁺	Lithium atom cation	¹S	K_h
17	Na	Sodium atom	²S	K_h
18	Na^-	Sodium atom anion	¹S	K_h
19	Na⁺	Sodium atom cation	¹S	K_h
20	LiH	Lithium Hydride	¹Σ	C_∞v
21	LiH^-	lithium hydride anion	²Σ	C_∞v
22	LiH⁺	lithium hydride cation	²Σ	C_∞v
23	NaH	sodium hydride	¹Σ	C_∞v
24	NaH⁺	sodium hydride cation	²Σ	C_∞v
25	Be	Beryllium atom	¹S	K_h
26	Be^-	Beryllium atom anion	²P	K_h
27	Be⁺	Beryllium atom cation	²S	K_h
28	Mg	Magnesium atom	¹S	K_h
29	Mg^-	Magnesium atom anion	²P	K_h
30	Mg⁺	Magnesium atom cation	²S	K_h
31	BeH	beryllium monohydride	²Σ	C_∞v
32	BeH^-	berylium monohydride anion	¹Σ	C_∞v
33	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
34	MgH	magnesium monohydride	²Σ	C_∞v
35	MgH^-	magnesium monohydride anion	¹Σ	C_∞v
36	MgH⁺	magnesium monohydride cation	¹Σ	C_∞v
37	CaH	Calcium monohydride	²Σ	C_∞v
38	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
39	TiH	Titanium monohydride	⁴Φ	C_∞v
40	ZnH⁺	Zinc, protonated
41	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
42	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
43	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
44	BeH₂⁺	Beryllium dihydride cation
45	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
46	B	Boron atom	²P	K_h
47	B	Boron atom	⁴P	K_h
48	B^-	Boron atom anion	³P	K_h
49	B⁺	Boron atom cation	¹S	K_h
50	Al	Aluminum atom	²P	K_h
51	Al^-	Aluminum atom anion	³P	K_h
52	Al⁺	Aluminum atom cation	¹S	K_h
53	Sc	Scandium atom	²D	K_h
54	Sc⁺	Scandium cation	³D	K_h
55	Ga	Gallium atom	²P
56	Ga^-	Gallium atom anion	³P	O_h
57	Ga⁺	Gallium atom cation	¹S
58	BH	Boron monohydride	¹Σ	C_∞v
59	BH	Boron monohydride	³Π	C_∞v
60	BH^-	boron monohydride anion	²Π	C_∞v
61	BH^-	boron monohydride anion	⁴Σ	C_∞v
62	BH⁺	boron monohydride cation	²Σ	C_∞v
63	AlH	aluminum monohydride	¹Σ	C_∞v
64	AlH^-	aluminum monohydride anion	²Π	C_∞v
65	AlH⁺	aluminum monohydride cation	²Σ	C_∞v
66	ScH	Scandium monohydride	¹Σ	C_∞v
67	GaH	Gallium monohydride	¹Σ	C_∞v
68	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
69	BH₂^-	boron dihydride anion	³B₁	C_2v
70	BH₂^-	boron dihydride anion	¹A₁	C_2v
71	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
72	BH₃	boron trihydride	¹A₁^'	D_3h
73	BH₃^-	boron trihydride anion	²A₂^"	D_3h
74	BH₃⁺	boron trihydride cation	²B₂	C_2v
75	BH₃⁺	boron trihydride cation		C_2v
76	AlH₃	aluminum trihydride	¹A₁^'	D_3h
77	AlH₃^-	aluminum trihydride anion		C_3v
78	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
79	ScH₃	Scandium trihydride	¹A₁^'	D_3h
80	ScH₃	Scandium trihydride	¹A₁	C_3v
81	GaH₃	Gallium trihydride	¹A₁^'	D_3h
82	BH₄	borohydride	²B₂	C_2v
83	BH₄^-	borohydride anion	¹A₁	T_d
84	C	Carbon atom	³P₀	K_h
85	C	Carbon atom	³P₁	K_h
86	C^-	Carbon atom anion	⁴S	K_h
87	C^-	Carbon atom anion	²D	K_h
88	C⁺	Carbon atom cation	²P	K_h
89	Si	Silicon atom	³P	K_h
90	Si	Silicon atom	¹S	K_h
91	Si^-	Silicon atom anion	⁴S	K_h
92	Si⁺	Silicon atom cation	²P	K_h
93	Ge	Germanium atom	³P	K_h
94	Ge^-	Germanium anion	⁴S	K_h
95	Ge⁺	Germanium cation	²P	K_h
96	CH	Methylidyne	²Π_1/2	C_∞v
97	CH	Methylidyne	⁴Σ^-	C_∞v
98	CH^-	methylidyne anion	³Σ	C_∞v
99	CH⁺	Methylidyne cation	¹Σ	C_∞v
100	SiH	Silylidyne	²Π	C_∞v
101	SiH^-	silicon monohydride anion	³Σ	C_∞v
102	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
103	GeH	germylidene	²Π	C_∞v
104	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
105	CH₂	Methylene	³B₁	C_2v
106	CH₂	Methylene	³Σ_G	D_∞h
107	CH₂	Methylene	¹A₁	C_2v
108	CH₂^-	methylene anion	²B₁	C_2v
109	CH₂⁺	methylene cation	²A₁	C_2v
110	CH₂⁺	methylene cation	²Π	D_∞h
111	SiH₂	silicon dihydride	³B₁	C_2v
112	GeH₂	germylene	¹A₁	C_2v
113	GeH₂^-	germylene anion	²B₁	C_2v
114	CH₃	Methyl radical	²A₁	D_3h
115	CH₃^-	methyl anion	¹A₁	C_3v
116	CH₃⁺	methyl cation	¹A₁^'	D_3h
117	SiH₃	Silyl radical	²A₁	C_3v
118	SiH₃^-	Silyl anion	¹A₁	C_3v
119	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
120	GeH₃	Germyl radical	²A₁	C_3v
121	GeH₃⁺	germyl cation	¹A₁^'	D_3h
122	CD₄	methane-d4	¹A₁	T_d
123	CH₂D₂	methane-d2	¹A₁	C_2v
124	CH₃D	methane-d	¹A₁	C_3v
125	CH₄	Methane	¹A₁	T_d
126	CH₄^-	Methane anion	²A₁	T_d
127	CH₄^-	Methane anion	²A₁	C_3v
128	CH₄⁺	Methane cation	²B₁	C_2v
129	CH₄⁺	Methane cation	²T₂	T_d
130	CH₄⁺	Methane cation	²B₂	D_2d
131	CHD₃	methane-d3	¹A₁	C_3v
132	SiH₂D₂	silane-d2
133	SiH₄	Silane	¹A₁	T_d
134	GeH₄	Germane	¹A₁	T_d
135	SiH₅⁺	Silane, protonated
136	N	Nitrogen atom	⁴S	K_h
137	N	Nitrogen atom	²D	K_h
138	N^-	Nitrogen atom anion	³S	K_h
139	N⁺	Nitrogen atom cation	³P	K_h
140	P	Phosphorus atom	⁴S	K_h
141	P^-	Phosphorus atom anion	³P	K_h
142	P⁺	Phosphorus atom cation	³P	K_h
143	V	Vanadium atom	⁴F	K_h
144	V⁺	Vanadium atom cation	⁵D	K_h
145	As	Arsenic atomic	⁴S	K_h
146	As^-	Arsenic anion	³P	K_h
147	As⁺	Arsenic cation	³P	K_h
148	NH	Imidogen	³Σ^-	C_∞v
149	NH	Imidogen	¹Σ⁺	C_∞v
150	NH^-	Imidogen anion	²Π	C_∞v
151	NH⁺	imidogen cation	²Π	C_∞v
152	PH	phosphorus monohydride	³Σ^-	C_∞v
153	PH	phosphorus monohydride	¹Δ	C_∞v
154	PH^-	phosphorus monohydride anion	²Π	C_∞v
155	PH⁺	phosphorus monohydride cation	²Π	C_∞v
156	AsH	Arsenic monohydride	³Σ	C_∞v
157	AsH	Arsenic monohydride	¹Σ	C_∞v
158	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
159	NH₂	Amino radical	²B₁	C_2v
160	NH₂^-	amino anion	¹A₁	C_2v
161	NH₂⁺	Amino cation	³B₁	C_2v
162	NH₂⁺	Amino cation	¹A₁	C_2v
163	PH₂^-	Phosphino anion	¹A₁	C_2v
164	PH₂⁺	Phosphino cation	¹A₁	C_2v
165	AsH₂	Arsenic dihydride	²A₁	C_2v
166	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
167	NH₃	Ammonia	¹A₁	C_3v
168	NH₃^-	Ammonia anion	²A₁	C_3v
169	NH₃⁺	ammonia cation	²A₂^"	D_3h
170	PH₃	Phosphine	¹A₁	C_3v
171	PH₃⁺	Phosphine cation	²A₁	C_3v
172	AsH₃	Arsine	¹A₁	C_3v
173	AsH₃⁺	Arsine cation	²A₁	C_3v
174	AsH₄⁺	Arsonium
175	NH₄	Ammonium radical
176	NH₄⁺	ammonium cation	¹A₁	T_d
177	PH₄	Phosphoranyl radical
178	PH₄⁺	phosphonium cation
179	O	Oxygen atom	³S	K_h
180	O^-	Oxygen atom anion	²P	K_h
181	O⁺	Oxygen atom cation	⁴S	K_h
182	S	Sulfur atom	³P	K_h
183	S	Sulfur atom
184	S^-	Sulfur atom anion	²P	K_h
185	S⁺	Sulfur atom cation	⁴S	K_h
186	Se	Selenium atom	³P	K_h
187	Se^-	Selenium atom anion	²P	K_h
188	Se⁺	Selenium atom cation	⁴S	K_h
189	DO	Hydroxyl-d	²Π	C_∞v
190	OH	Hydroxyl radical	²Π	C_∞v
191	OH^-	hydroxide anion	¹Σ	C_∞v
192	OH⁺	hydoxyl cation	³Σ	C_∞v
193	OH⁺	hydoxyl cation	¹Σ	C_∞v
194	DS	Mercapto-d	²Π	C_∞v
195	HS	Mercapto radical	²Π	C_∞v
196	HS^-	mercapto anion	¹Σ	C_∞v
197	HS⁺	sulfur monohydride cation	³Σ	C_∞v
198	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
199	HSe	Selenium monohydride	²Π	C_∞v
200	HSe^-	selenium monohydride anion	¹Σ	C_∞v
201	HSe⁺	selenium monohydride cation	³Σ	C_∞v
202	H₂O	Water	¹A₁	C_2v
203	H₂O^-	water anion	²A₁	C_2v
204	H₂O^-	water anion	²A^'	C_s
205	H₂O⁺	water cation	²B₁	C_2v
206	HDO	Water-d1	¹A₁	C_2v
207	H₂S	Hydrogen sulfide	¹A₁	C_2v
208	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
209	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
210	H₂Se	Hydrogen selenide	¹A₁	C_2v
211	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
212	H₃O⁺	hydronium cation	¹A₁	C_3v
213	H₃S⁺	Sulfonium cation	¹A₁	C_3v
214	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
215	F	Fluorine atom	²P	K_h
216	F^-	Fluorine atom anion	¹S	K_h
217	F⁺	Fluorine atom cation	³S	K_h
218	F⁺	Fluorine atom cation	¹D	K_h
219	Cl	Chlorine atom	²P	K_h
220	Cl^-	Chlorine atom anion	¹S	K_h
221	Cl⁺	Chlorine atom cation	³P	K_h
222	Cl⁺	Chlorine atom cation	¹D	K_h
223	Br	Bromine atom	²P	K_h
224	Br^-	Bromine atom anion	¹S	K_h
225	Br⁺	Bromine atom cation	³P	K_h
226	DF	Hydrofluoric acid-d	¹Σ	C_∞v
227	HF	Hydrogen fluoride	¹Σ	C_∞v
228	HF^-	hydrogen fluoride anion	²Σ	C_∞v
229	HF⁺	hydrogen fluoride cation	²Π	C_∞v
230	DCl	Hydrochloric acid-d	¹Σ	C_∞v
231	HCl	Hydrogen chloride	¹Σ	C_∞v
232	HCl^-	hydrogen chloride anion	²Σ	C_∞v
233	HCl⁺	hydrogen chloride cation	²Π	C_∞v
234	HBr	hydrogen bromide	¹Σ	C_∞v
235	HBr^-	hydrogen bromide anion	²Σ	C_∞v
236	HBr⁺	hydrogen bromide cation	²Π	C_∞v
237	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
238	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
239	Ne	Neon atom	¹S	K_h
240	Ne	Neon atom
241	Ne^-	Neon atom anion	²S	K_h
242	Ne⁺	Neon atom cation	²P	K_h
243	Ar	Argon atom	¹S	K_h
244	Ar^-	Argon atom anion	²S	K_h
245	Ar⁺	Argon atom cation	²P	K_h
246	Kr	Krypton atom	¹S	K_h
247	Kr⁺	Krypton cation	²P	K_h
248	HeLi⁺	Helium Lithium cation
249	NeH	neon hydrogen	²Σ	C_∞v
250	NeH⁺	neon hydrogen cation	¹Σ	C_∞v
251	ArH⁺	Argon hydride cation	¹Σ	C_∞v
252	KrH⁺	Protonated Krypton	¹Σ	C_∞v
253	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
254	Li₂	Lithium diatomic	¹Σ_g	D_∞v
255	Li₂^-	lithium diatomic anion	²Σ_u	D_∞h
256	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
257	NaLi	lithium sodium	¹Σ	C_∞v
258	NaLi^-	lithium sodium anion	²Σ	C_∞v
259	NaLi⁺	lithium sodium cation	²Σ	C_∞v
260	Na₂	Sodium diatomic	¹Σ_g	D_∞h
261	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
262	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
263	LiBe	Lithium Beryllium	²Σ	C_∞v
264	LiMg	Lithium magnesium	²Σ	C_∞v
265	NaBe	Sodium Beryllium	²Σ	C_∞v
266	NaMg	Sodium Magnesium	²Σ	C_∞v
267	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
268	Be₂	Beryllium diatomic	³Π_g	D_∞h
269	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
270	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
271	BeMg	Beryllium Magnesium	¹Σ	C_∞v
272	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
273	Mg₂^-	magnesium diatomic anion	²Π_U	D_∞h
274	Mg₂⁺	magnesium diatomic cation	²Σ_u	D_∞h
275	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
276	LiB	Lithium boride	³Π	C_∞v
277	LiAl	Lithium Aluminum
278	NaAl	Sodium aluminum	¹Σ	C_∞v
279	BeB	Beryllium monoboride	²Π	C_∞v
280	B₂	Boron diatomic	³Σ_g	D_∞h
281	B₂	Boron diatomic	¹Σ_g	D_∞h
282	B₂	Boron diatomic	⁵Σ_u	D_∞h
283	B₂^-	Boron diatomic anion	⁴Σ_g	D_∞h
284	B₂⁺	Boron diatomic cation	²Π	D_∞h
285	BAl	Boron Aluminum	³Σ	C_∞v
286	Al₂	Aluminum diatomic	³Σ_g	D_∞h
287	BGa	Boron Gallium	³Σ	C_∞v
288	AlGa	Aluminum Gallium	³Σ	C_∞v
289	AlGa	Aluminum Gallium	¹Σ	C_∞v
290	Ga₂	Gallium diatomic	³P_iu
291	HBBH	Diborane(2)	³Σ_G	D_∞h
292	LiBH₄	Lithium borohydride	¹A₁	C_3v
293	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
294	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
295	B₂H₆	Diborane	¹A_g	D_2h
296	B₂H₆⁺	Diborane cation
297	Al₂H₆	dialane	¹A_G	D_2h
298	Ga₂H₆	digallane	¹A_G	D_2h
299	LiC	Lithium Carbide	⁴Σ	C_∞v
300	BeC	Beryllium Carbide	³Σ^-	C_∞v
301	BeC	Beryllium Carbide
302	CaC	Calcium monocarbide
303	BC	boron monocarbide	⁴Σ^-	C_∞v
304	BC	boron monocarbide	²Π	C_∞v
305	BC^-	boron monocarbide anion	³Π_u	C_∞v
306	BC^-	boron monocarbide anion	¹Σ_g⁺	C_∞v
307	BC⁺	boron monocarbide cation	³Σ	C_∞v
308	BC⁺	boron monocarbide cation	¹Σ	C_∞v
309	AlC	Aluminum carbide	⁴Σ	C_∞v
310	BSi	Boron silicide	⁴Σ	C_∞v
311	BSi	Boron silicide	²Σ	C_∞v
312	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
313	C₂	Carbon diatomic	³Π_u	D_∞h
314	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
315	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
316	C₂⁺	carbon diatomic cation	²Π	D_∞h
317	SiC	silicon monocarbide	³Σ	C_∞v
318	SiC	silicon monocarbide	¹Σ	C_∞v
319	Si₂	Silicon diatomic	³Σ_g	D_∞h
320	Si₂	Silicon diatomic	¹Σ_g	D_∞h
321	Si₂^-	silcon diatomic anion	²Σ_g	D_∞h
322	Si₂⁺	silcon diatomic cation	²Π	D_∞h
323	GeC	Germanium monocarbide	¹Σ	C_∞v
324	SiGe	Silicon Germanium
325	C₂H	Ethynyl radical	²Σ	C_∞v
326	C₂H^-	Ethynyl anion	¹Σ	C_∞v
327	C₂H⁺	Ethynyl cation	³Π	C_∞v
328	C₂H₂	Acetylene	¹Σ_g	D_∞h
329	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
330	C₂H₂⁺	acetylene cation
331	CCH₂	vinylidene	³B₂	C_2v
332	H₂CC^-	vinylidene anion
333	HCCH^-	acetylene anion
334	HCCH^-	acetylene anion
335	Si₂H₂	disilyne
336	Si₂H₂	disilyne
337	Si₂H₂	disilyne
338	Si₂H₂	disilyne
339	CH₃Li	methyl lithium	¹A₁	C_3v
340	CH₂BH	methyleneborane	¹A₁	C_2v
341	C₂H₃	vinyl	²A^'	C_s
342	C₂H₃^-	vinyl anion	¹A^'	C_s
343	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
344	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
345	C₂H₄	Ethylene	¹A_g	D_2h
346	C₂H₄^-	Ethylene anion	²A_g	C_2h
347	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
348	C₂H₄⁺	Ethylene cation	²B₃	D₂
349	CH₃CH	methylmethylene	³A^"	C_s
350	Si₂H₄	Disilene
351	Si₂H₄	Disilene
352	Si₂H₄	Disilene
353	CH₃BH₂	methylborane	¹A^'	C_s
354	C₂H₅	Ethyl radical	²A^'	C_s
355	C₂H₅^-	Ethyl anion	¹A^'	C_s
356	C₂H₆	Ethane	¹A_1g	D_3d
357	C₂H₆	Ethane	¹A₁^'	D_3h
358	C₂H₆⁺	ethane cation	²B_g	C_2h
359	C₂H₆⁺	ethane cation	²A_g	C_i
360	Si₂H₆	disilane	¹E_u	D_3d
361	C₂H₇⁺	Ethane, protonated	¹A	C₂
362	LiN	Lithium Nitride	³Σ	C_∞v
363	LiN	Lithium Nitride	¹Σ	C_∞v
364	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
365	LiP	Lithium monophosphide
366	LiP	Lithium monophosphide
367	BeN	Beryllium mononitride	⁴Σ	C_∞v
368	BeN	Beryllium mononitride	²Π	C_∞v
369	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
370	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
371	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
372	MgN	Magnesium Nitride
373	MgN	Magnesium Nitride
374	BN^-	boron nitride anion	²Σ	C_∞v
375	BP	Boron monophosphide	³Π	C_∞v
376	BP	Boron monophosphide	¹Σ	C_∞v
377	AlP	Aluminum monophosphide	³Σ	C_∞v
378	AlP	Aluminum monophosphide	³Π	C_∞v
379	AlP	Aluminum monophosphide	¹Σ	C_∞v
380	GaN	Gallium mononitride	³Π	C_∞v
381	GaN	Gallium mononitride	¹Σ	C_∞v
382	GaP	Gallium monophosphide	³Σ	C_∞v
383	GaP	Gallium monophosphide	¹Σ	C_∞v
384	GaAs	Gallium arsenide	³Π
385	GaAs	Gallium arsenide	¹Σ
386	BN	boron nitride	³Π	C_∞v
387	BN	boron nitride	¹Σ	C_∞v
388	BN⁺	boron nitride cation	²Π	C_∞v
389	AlN	Aluminum nitride	³Π_i	C_∞v
390	CN	Cyano radical	²Σ	C_∞v
391	CN^-	cyanide anion	¹Σ	C_∞v
392	CN⁺	Cyano cation	¹Σ	C_∞v
393	CP	Carbon monophosphide	²Σ	C_∞v
394	CP⁺	carbon monophosphide cation	¹Σ	C_∞v
395	SiN	Silicon nitride	²Σ	C_∞v
396	SiN^-	silicon mononitride anion	¹Σ	C_∞v
397	SiN⁺	silicon mononitride cation	³Π	C_∞v
398	SiP	Silicon monophosphide	²Π	C_∞v
399	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
400	N₂	Nitrogen diatomic
401	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
402	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
403	PN	Phosphorus mononitride	¹Σ	C_∞v
404	PN^-	phosphorus nitride anion	²Π	C_∞v
405	PN⁺	phosphorus nitride cation	²Π	C_∞v
406	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
407	P₂^-	phosphorus diatomic anion	²Π_g	D_∞h
408	P₂⁺	phosphorus diatomic cation	²Π_U	D_∞h
409	AsN	Arsenic mononitride	¹Σ	C_∞v
410	AsP	Arsenic monophosphide	¹Σ	C_∞v
411	HCN	Hydrogen cyanide	¹Σ	C_∞v
412	HCN^-	Hydrogen cyanide anion	²A^'	C_s
413	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
414	HNC⁺	hydrogen isocyanide cation
415	HCP⁺	Phosphaethyne cation
416	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
417	LiNH₂	lithium amide
418	HBNH	Boranimine	¹Σ	C_∞v
419	CNH₂	Aminomethylidyne radical	²B₂	C_2v
420	CNH₂⁺	N-protonated hydrogen isocyanide	¹A₁	C_2v
421	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
422	HCNH	methyleneazane	²A^'	CS cis
423	HCNH	methyleneazane	²A^'	CS trans
424	HCNH⁺	N-protonated HCN	¹Σ	C_∞v
425	H₂NN	Isodiazene
426	N₂H₂	(E)-diazene	¹A_g	C_2h
427	N₂H₂	(Z)-Diazene	¹A₁	C_2v
428	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
429	CH₂NH	Methanimine	¹A^'	C_s
430	CH₂NH⁺	Methanimine cation
431	CHNH₂	aminomethylene
432	CHNH₂⁺	Aminocarbene cation
433	CH₂PH	Phosphaethene	¹A^'	C_s
434	BH₂NH₂	Boranamine
435	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
436	N₂H₄	Hydrazine	¹A	C₂
437	N₂H₄⁺	hydrazine cation	²A_G	C_2h
438	CH₃NH₂	methyl amine	¹A^'	C_s
439	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
440	SiH₃NH₂	Silane, amino
441	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
442	BH₃PH₃	borane phosphine
443	BH₃NH₃	borane ammonia	¹A₁	C_3v
444	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
445	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
446	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
447	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
448	N₂H₇⁺	ammonia ammonium dimer
449	LiO	lithium oxide	²Σ	C_∞v
450	LiO^-	lithium oxide anion	¹Σ	C_∞v
451	LiO^-	lithium oxide anion	³Σ	C_∞v
452	LiO⁺	lithium oxide cation	³Σ	C_∞v
453	LiO⁺	lithium oxide cation	¹Σ	C_∞v
454	LiS	Lithium monosulfide	²Π	C_∞v
455	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
456	NaO	sodium monoxide	²Σ	C_∞v
457	NaS	Sodium sulfide	²Π	C_∞v
458	LiSe	Lithium monoselenide
459	BeO	beryllium oxide	¹Σ	C_∞v
460	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
461	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
462	BeS	beryllium sulfide	¹Σ	C_∞v
463	MgO	magnesium oxide	¹Σ⁺	C_∞v
464	MgO^-	magnesium oxide anion	²Σ	C_∞v
465	MgO⁺	magnesium oxide cation	²Π	C_∞v
466	CaO	Calcium monoxide	¹Σ	C_∞v
467	MgS	magnesium sulfide	¹Σ	C_∞v
468	MgS^-	magnesium sulfide anion	²Σ	C_∞v
469	MgS⁺	magnesium sulfide cation	²Π	C_∞v
470	BO	boron monoxide	²Σ	C_∞v
471	BO^-	boron monoxide anion	¹Σ	C_∞v
472	AlO	Aluminum monoxide	²Σ	C_∞v
473	AlO^-	Aluminum monoxide anion	¹Σ	C_∞v
474	AlO⁺	aluminum monoxide cation	¹Σ	C_∞v
475	BS	boron sulfide	²Σ	C_∞v
476	AlS	Aluminum sulfide	²Σ	C_∞v
477	ScO	Scandium monoxide	²Σ	C_∞v
478	GaO	Gallium monoxide	²Σ	C_∞v
479	GaS	Gallium monosulfide
480	BO⁺	boron monoxide cation	¹Σ	C_∞v
481	CO	Carbon monoxide	¹Σ	C_∞v
482	CO	Carbon monoxide	³Π	C_∞v
483	CO^-	carbon monoxide anion	²Π	C_∞v
484	CO⁺	carbon monoxide cation	²Σ	C_∞v
485	CS	carbon monosulfide	¹Σ	C_∞v
486	SiO	Silicon monoxide	¹Σ	C_∞v
487	SiO^-	silicon monoxide anion	²Π	C_∞v
488	SiO⁺	silicon monoxide cation	²Σ	C_∞v
489	SiS	silicon monosulfide	¹Σ	C_∞v
490	SiS^-	silicon monosulfide anion	²Π	C_∞v
491	SiS⁺	silicon monosulfide cation	²Σ	C_∞v
492	TiO	Titanium monoxide	³Δ	C_∞v
493	CSe	Carbon monoselenide	¹Σ	C_∞v
494	GeO	Germanium monoxide	¹Σ	C_∞v
495	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
496	GeS	Germanium monosulfide	¹Σ	C_∞v
497	SiSe	Silicon Monoselenide
498	SiSe⁺	Silicon Monoselenide cation
499	GeSe	Germanium monoselenide
500	NO	Nitric oxide	²Π	C_∞v
501	NO^-	nitric oxide anion	³Σ	C_∞v
502	NO^-	nitric oxide anion	¹Δ	C_∞v
503	NO⁺	nitric oxide cation	¹Σ	C_∞v
504	NS	Mononitrogen monosulfide	²Π	C_∞v
505	NS^-	nitrogen sulfide anion	³Σ	C_∞v
506	NS^-	nitrogen sulfide anion	¹Σ	C_∞v
507	NS⁺	nitrogen sulfide cation	¹Σ	C_∞v
508	PO	Phosphorus monoxide	²Π	C_∞v
509	PO^-	phosphorus monoxide anion	³Σ	C_∞v
510	PO⁺	phosphorus monoxide cation	¹Σ	C_∞v
511	PS	phosphorus sulfide	²Σ	C_∞v
512	PS^-	phosphorus monosulfide anion	³Σ	C_∞v
513	PS⁺	phosphorus monosulfide cation	¹Σ	C_∞v
514	VO	Vanadium monoxide	⁴Σ^-
515	NSe	Nitrogen monoselenide	²Π	C_∞v
516	AsS	Arsenic monosulfide	²Π	C_∞v
517	PSe	Phosphorus monoselenide	²Π	C_∞v
518	AsSe	Arsenic monoselenide	²Π	C_∞v
519	O₂	Oxygen diatomic	³Σ_g	D_∞h
520	O₂	Oxygen diatomic	¹Δ_g	D_∞h
521	O₂^-	oxygen diatomic anion	²Π	D_∞h
522	O₂^--	dioxygen dianion
523	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
524	SO	Sulfur monoxide	³Σ	C_∞v
525	SO	Sulfur monoxide	¹Σ	C_∞v
526	SO^-	sulfur monoxide anion	²Π	C_∞v
527	SO⁺	sulfur monoxide cation	²Π	C_∞v
528	S₂	Sulfur diatomic	³Σ_g	D_∞h
529	S₂^-	sulfur diatomic anion	²Π	D_∞h
530	S₂⁺	sulfur diatomic cation	²Π	D_∞h
531	SeO	Selenium monoxide	³Σ	C_∞v
532	Se₂	Selenium diatomic	³Σ_g	D_∞h
533	LiOH	lithium hydroxide	¹Σ	C_∞v
534	BeOH	beryllium monohydroxide	²A^'	C_s
535	BeOH	beryllium monohydroxide	²Σ	C_∞v
536	HBO	Boron hydride oxide	¹Σ	C_∞v
537	HBS	hydrogen boron sulfide	¹Σ	C_∞v
538	COH	Hydroxymethylidyne
539	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
540	HCO	Formyl radical	²A^'	C_s
541	HCO^-	formyl anion	¹A^'	C_s
542	HCO⁺	Formyl cation	¹Σ	C_∞v
543	HCS^-	Thioformyl anion	¹A^'	C_s
544	HNO	Nitrosyl hydride	¹A^'	C_s
545	HNO^-	Nitrosyl hydride anion	²A^"	C_s
546	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
547	NOH	Hydroxyimidogen	³A^"	C_s
548	NOH⁺	O-protonated nitric oxide	²A^'	C_s
549	HNS	Sulfur imide	¹A^'	C_s
550	HNS^-	Sulfur imide anion	²A	C_s
551	HO₂	Hydroperoxy radical	²A^"	C_s
552	HO₂⁺	Hydroperoxy cation	³A^"	C_s
553	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
554	HSO⁺	Sulfur Monoxide, S-protonated
555	SOH	Sulfur Hydroxide
556	SOH⁺	Sulfur Monoxide, protonated
557	HS₂	Thiosulfeno radical	²A^"	C_s
558	H₂CO	Formaldehyde	¹A₁	C_2v
559	H₂CO^-	formaldehyde anion	²A^'	C_s
560	H₂CO^-	formaldehyde anion
561	H₂CO⁺	formaldehyde cation	²B₂	C_2v
562	HOCH	hydroxycarbene	¹A^'	CS trans
563	HOCH	hydroxycarbene	¹A^'	CS cis
564	H₂CS	Thioformaldehyde	¹A₁	C_2v
565	H₂CS^-	thioformaldehyde anion
566	H₂CS^-	thioformaldehyde anion
567	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
568	H₂CSe	Selenoformaldehyde
569	H₂NO	nitroxide	²B₁	C_2v
570	H₂NO	nitroxide	²A^'	C_s
571	H₂O₂	Hydrogen peroxide	¹A	C₂
572	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
573	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
574	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
575	H₂OO	water oxide
576	HOSH	hydrogen thioperoxide
577	H₂S₂	Disulfane	¹A	C₂
578	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
579	H₂Se₂	hydrogen diselenide
580	CH₂OH	Hydroxymethyl radical	²A	C₁
581	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
582	CH₃O^-	methoxy anion	¹A₁	C_3v
583	CH₃O⁺	Methoxy cation	³A₁	C_3v
584	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
585	NH₂OH	hydroxylamine	¹A^'	C_s
586	NH₂OH⁺	Hydroxylamine cation
587	NH₃O	Ammonia Oxide	¹A₁	C_3v
588	H₂POH	Phosphinous acid	¹A₁^'	CS trans
589	H₂POH	Phosphinous acid	¹A₁^'	CS cis
590	H₃PO	Phosphine oxide	¹A₁	C_3v
591	NH₂SH	Thiohydroxylamine
592	CH₃OH	Methyl alcohol	¹A^'	C_s
593	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
594	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
595	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
596	CH₃SH	Methanethiol	¹A^'	C_s
597	CH₃SH⁺	Methanethiol cation	²A^"	C_s
598	SiH₃OH	silanol
599	NH₂OH₂⁺	protonated hydroxylamine
600	NH₃OH⁺	N-protonated hydroxylamine
601	H₂OH₂O	water dimer	¹A^'	C_s
602	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
603	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
604	LiF	lithium fluoride	¹Σ	C_∞v
605	LiCl	lithium chloride	¹Σ	C_∞v
606	LiCl^-	lithium chloride anion	²Σ	C_∞v
607	LiCl⁺	lithium chloride cation	²Π	C_∞v
608	NaF	sodium fluoride	¹Σ	C_∞v
609	NaF^-	sodium fluoride anion	²Σ	C_∞v
610	NaF⁺	sodium fluoride cation	²Σ	C_∞v
611	NaCl	Sodium Chloride	¹Σ	C_∞v
612	NaCl^-	sodium chloride anion	²Σ	C_∞v
613	NaCl⁺	sodium chloride cation	²Π	C_∞v
614	LiBr	Lithium Bromide	¹Σ	C_∞v
615	NaBr	Sodium Bromide	¹Σ	C_∞v
616	LiF^-	lithium fluoride anion	²Σ	C_∞v
617	LiF⁺	lithium fluoride cation	²Π	C_∞v
618	BeF	Beryllium monofluoride	²Σ	C_∞v
619	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
620	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
621	BeCl	beryllium monochloride	²Σ	C_∞v
622	MgF	Magnesium monofluoride	²Σ	C_∞v
623	MgF^-	magnesium fluoride anion	¹Σ	C_∞v
624	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
625	MgCl	magnesium monochloride	²Σ	C_∞v
626	MgCl^-	magnesium monochloride anion	¹Σ	C_∞v
627	MgCl⁺	magnesium monochloride cation	¹Σ	C_∞v
628	ZnF	Zinc monofluoride	²Σ	C_∞v
629	CaBr	Calcium monobromide
630	BF	Boron monofluoride	¹Σ	C_∞v
631	BF^-	Boron monofluoride anion	²Π	C_∞v
632	BF⁺	Boron monofluoride cation	²Σ	C_∞v
633	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
634	AlF^-	Aluminum monofluoride anion	²Π	C_∞v
635	AlF⁺	Aluminum monofluoride cation	²Σ	C_∞v
636	BCl	boron monochloride	¹Σ	C_∞v
637	BCl⁺	boron monochloride cation	²Σ	C_∞v
638	AlCl	Aluminum monochloride	¹Σ	C_∞v
639	ScF	Scandium monofluoride	¹Σ	C_∞v
640	BBr	Boron monobromide	¹Σ	C_∞v
641	GaF	Gallium monofluoride	¹Σ	C_∞v
642	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
643	AlBr	Aluminum monobromide
644	GaCl	Gallium monochloride	¹Σ_G	C_∞v
645	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
646	GaBr	Gallium monobromide
647	CF	Fluoromethylidyne	²Π	C_∞v
648	CF^-	carbon monofluoride anion	¹Σ	C_∞v
649	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
650	CCl	carbon monochloride	²Π	C_∞v
651	SiF	silicon monofluoride	²Π	C_∞v
652	SiF^-	silicon monofluoride anion	³Σ	C_∞v
653	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
654	SiCl	Clorosilylidyne	²Π	C_∞v
655	SiCl^-	silicon monochloride anion	³Σ	C_∞v
656	SiCl⁺	silicon monochloride cation	¹Σ	C_∞v
657	CBr	Carbon monobromide	²Π	C_∞v
658	GeF	Germanium monofluoride	²Π	C_∞v
659	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
660	GeCl	Germanium monochloride	²Π	C_∞v
661	GeCl⁺	Germanium monochloride cation
662	SiBr	Silicon monobromide	²Π	C_∞v
663	SiBr⁺	Silicon monobromide cation
664	NF	nitrogen fluoride	³Σ	C_∞v
665	NF	nitrogen fluoride	¹Σ	C_∞v
666	NF^-	nitrogen monofluorine anion	²Π	C_∞v
667	NF⁺	nitrogen monofluoirde cation	²Π	C_∞v
668	NCl	nitrogen monochloride	³Σ	C_∞v
669	NCl	nitrogen monochloride	¹Σ	C_∞v
670	PF	phosphorus monofluoride	³Σ	C_∞v
671	PF	phosphorus monofluoride	¹Δ	C_∞v
672	PF^-	phosphorus monofluoride anion	²Π	C_∞v
673	PF⁺	phosphorus monofluoride cation	²Π	C_∞v
674	PCl	phosphorus chloride	³Σ	C_∞v
675	PCl^-	phosphorus monochloride anion	²Π	C_∞v
676	PCl⁺	phosphorus monochloride cation	²Π	C_∞v
677	AsF	Arsenic monofluoride	³Σ	C_∞v
678	AsF	Arsenic monofluoride	¹Δ	C_∞v
679	NBr	nitrogen monobromide	³Σ^-	C_∞v
680	AsCl	Arsenic monochloride	³Σ	C_∞v
681	PBr	Phosphorus monobromide
682	FO	Oxygen monofluoride	²Π	C_∞v
683	FO^-	flourine oxide anion	¹Σ	C_∞v
684	FO⁺	fluorine monoxide cation	³Σ	C_∞v
685	ClO	Monochlorine monoxide	²Π	C_∞v
686	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
687	SF	Monosulfur monofluoride	²Π	C_∞v
688	SF^-	sulfur monofluoride anion	¹Σ	C_∞v
689	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
690	SCl	sulfur monochloride	²Π	C_∞v
691	SCl^-	sulfur monochloride anion	¹Σ	C_∞v
692	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
693	BrO	Bromine monoxide	²Π	C_∞v
694	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
695	BrO⁺	Bromine monoxide cation
696	SeF	Selenium monofluoride	²Π	C_∞v
697	SBr	Sulfur monobromide radical
698	SBr⁺	Sulfur monobromide cation
699	SeCl	Selenium monochloride	²Π	C_∞v
700	SeBr	Selenium monobromide
701	BrCl	Bromine monochloride	¹Σ	C_∞v
702	F₂	Fluorine diatomic	¹Σ_g	D_∞h
703	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
704	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
705	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
706	ClF⁺	clorine monofluoride cation	²Π	C_∞v
707	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
708	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
709	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
710	BrF	Bromine monofluoride	¹Σ	C_∞v
711	Br₂	Bromine diatomic	¹Σ_g	D_∞h
712	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
713	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
714	HCF	Fluoromethylene	¹A^'	C_s
715	HCF	Fluoromethylene	³A^"	C_s
716	HCCl	Chloromethylene	¹A^'	C_s
717	HCCl	Chloromethylene	³A^"	C_s
718	HSiF	fluorosilylene
719	HSiCl	Chlorosilylene
720	HSiBr	monobromosilylene
721	CHBr	bromomethylene	¹A^'	C_s
722	HOF	Hypofluorous acid	¹A^'	C_s
723	HOCl	hypochlorous acid	¹A^'	C_s
724	HOCl⁺	hypochlorous acid cation
725	HOBr	Hypobromous acid	¹A^'	C_s
726	HOBr⁺	Hypobromous acid cation	²A^"	C_s
727	F₂H⁺	Fluorine, protonated	¹A^'	C_s
728	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
729	ClFH⁺	Chlorine fluoride, F-protonated
730	FClH⁺	Chlorine fluoride, Cl-protonated
731	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
732	CH₂Br	bromomethyl radical
733	CH₂F	fluoromethyl radical	²A	C_s
734	CH₂F⁺	fluoromethyl cation
735	CH₂Cl⁺	chloromethyl cation
736	CH₂Cl	chloromethyl radical	²A^'	C_s
737	CH₂Cl	chloromethyl radical	²B₁	C_2v
738	NH₂F	monofluoroamine	¹A^'	C_s
739	NH₂Cl	chloramine	¹A^'	C_s
740	CH₃F⁺	methyl fluoride cation
741	CD₃F	methylfluoride-d3	¹A₁	C_3v
742	CH₃F	Methyl fluoride	¹A₁	C_3v
743	CD₃Cl	methyl chloride d3	¹A₁	C_3v
744	CH₃Cl	Methyl chloride	¹A₁	C_3v
745	CH₃Cl⁺	Methyl chloride cation
746	SiH₃F	monofluorosilane	¹A₁	C_3v
747	SiH₃Cl	chlorosilane	¹A₁	C₁
748	CH₃Br	methyl bromide	¹A₁	C_3v
749	GeH₃F	monofluorogermane
750	GeH₃Cl	monochlorogermane
751	NH₃Cl⁺	protonated monochloroammonia
752	CH₃ClH⁺	methyl chloride, protonated
753	NH₄Cl	Ammonium chloride
754	LiNe⁺	Lithium Neon cation
755	Ne₂	Neon diatomic	¹Σ_g	D_∞h
756	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
757	Ar₂	Argon diatomic	¹S_g	D_∞h
758	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
759	Li₃	Lithium trimer	²B₂	C_2v
760	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
761	C₃	carbon trimer	¹Σ_g	D_∞h
762	C₃	carbon trimer	¹A₁	C_2v
763	SiC₂	Silicon dicarbide
764	C₃H₃^-	Propargyl anion	¹A^'	C_s
765	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
766	C₃H₄	cyclopropene	¹A₁	C_2v
767	CH₂CCH₂	allene	¹A₁	D_2d
768	CH₃CCH	propyne	¹A^'	C_3v
769	C₃H₅	Allyl radical	²A₂	C_2v
770	CH₃CHCH	1-propenyl radical	²A^'	C_s
771	C₃H₆	Cyclopropane	¹A₁^'	D_3h
772	CH₂CHCH₃	Propene	¹A^'	C_s
773	C₃H₇	n-Propyl radical	²A^"	C₁
774	C₃H₇⁺	cyclopropane, protonated
775	CH₃CHCH₃	Isopropyl radical	²A	C₂
776	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
777	C₃H₈	Propane	¹A₁	C_2v
778	Si₃H₈	trisilane
779	LiCN	lithium cyanide	¹Σ	C*V LiCN
780	LiCN	lithium cyanide	¹A^'	C_s
781	LiCN	lithium cyanide	¹Σ	C*V LiNC
782	NaCN	Sodium Cyanide	¹Σ	C_∞v
783	NaCN	Sodium Cyanide	¹A	C_s
784	NaCN	Sodium Cyanide	¹Σ	C_∞v
785	ZnCN	Zinc monocyanide	²Σ	C_∞v
786	ZnNC	Zinc isocyanide	²Σ	C_∞v
787	AlCN	Aluminum monocyanide
788	AlNC	Aluminum isocyanide
789	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
790	CNN	Diazocarbene
791	NCN	Cyanoimidogen	³Σ_g	D_∞h
792	NCN	Cyanoimidogen	¹Σ_g	D_∞h
793	N₃	azide radical	²Π_g	D_∞h
794	N₃⁺	azide cation	³Σ_g	D_∞h
795	N₃⁺	azide cation	³Σ	C_∞v
796	HCCN	cyanomethylene	³Σ	C_∞v
797	HCCN	cyanomethylene
798	HN₃	hydrogen azide	¹A^'	C_s
799	HN₃⁺	Hydrazoic acid cation
800	HNCNH	diiminomethane	¹A	C₂
801	HNNNH⁺	1,2-Triazadienium
802	NH₂NN⁺	hydrazoic acid, protonated
803	CH₃CN	Acetonitrile	¹A₁	C_3v
804	CH₃CN^-	acetonitrile anion	²E	C_3v
805	HCNCH₂⁺	2H-Azirine cation
806	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
807	NH₂CNH⁺	cyanamide, cn protonated
808	NH₃CN⁺	cyanamide, amine protonated
809	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
810	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
811	CH₃CH₂NH₂	Ethylamine
812	Li₂O	dilithium oxide	¹Σ_g	D_∞h
813	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
814	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
815	Li₂S	dilithium sulfide	¹A₁	C_2v
816	Na₂O	disodium monoxide	¹Σ_g	Linear
817	Na₂O	disodium monoxide	¹A₁	C_2v
818	Na₂S	Sodium sulfide
819	Na₂S	Sodium sulfide
820	LiO₂	Lithium dioxide
821	NaO₂	Sodium superoxide
822	CCO	Dicarbon monoxide	³Σ	C_∞v
823	CCO	Dicarbon monoxide	¹Π	C_∞v
824	NCO	isocyanato radical	²Π	C_∞v
825	BO₂^-	Boron dioxide anion	¹Σ_g	D_∞h
826	N₂O	Nitrous oxide	¹Σ	C_∞v
827	N₂O^-	Nitrous oxide anion	²A^'	C_s
828	NNS	Nitrogen sulfide	¹Σ	C_∞v
829	CO₂	Carbon dioxide	¹Σ_g	D_∞h
830	CO₂^-	Carbon dioxide anion	²A₁	C_2v
831	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
832	OCS	Carbonyl sulfide	¹Σ	C_∞v
833	CS₂	Carbon disulfide	¹Σ_g	D_∞h
834	CS₂^-	Carbon disulfide anion	²A₁	C_2v
835	TiO₂	Titanium dioxide	¹A₁	C_2v
836	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
837	OCSe	Carbonyl selenide	¹Σ	C_∞v
838	SCSe	Carbon sulfide selenide
839	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
840	NO₂	Nitrogen dioxide	²A₁	C_2v
841	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
842	NSO	sulfinyl amidogen
843	SNO	Nitrogen oxide sulfide
844	O₃	Ozone	¹A₁	C_s
845	SO₂	Sulfur dioxide	¹A₁	C_2v
846	SSO	Disulfur monoxide	¹A^'	C_s
847	S₃	Sulfur trimer	¹A₁	C_2v
848	S₃	Sulfur trimer
849	S₃⁺	Sulfur trimer cation	²B₂	C_2v
850	SeO₂	Selenium dioxide	¹A₁	C_2v
851	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
852	HCCO	ketenyl radical	²Π	C_∞v
853	HCCO	ketenyl radical	²A^"	C_s
854	HCNO	fulminic acid	¹Σ	C_∞v
855	HCOO	formate neutral radical	²A^'	C_s
856	HOCO	Hydrocarboxyl radical	¹A^'	cis
857	HOCO	Hydrocarboxyl radical	¹A^'	trans
858	O₃H⁺	protonated ozone	¹A^'	C_s
859	O₃H⁺	protonated ozone
860	C₂H₂O	Oxirene	¹A₁	C_2v
861	CH₂CO	Ketene	¹A₁	C_2v
862	CH₂CS	Thioketene
863	Be(OH)₂	Beryllium hydroxide
864	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
865	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
866	NH₂NO	Nitrosamide	¹A	C₁
867	H₂COO	Dioxymethyl radical	²A^'	C_s
868	H₂COO⁺	dioxymethyl cation	²A^'	C_s
869	HCOOH	Formic acid	¹A^'	C_s
870	HCOOH	Formic acid
871	H₂O₃	Hydrogen trioxide	¹A	C₂
872	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
873	BH₃CO	Borane carbonyl	¹A₁	C_3v
874	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
875	CH₂COH⁺	ketene, protonated
876	CH₃CO⁺	acetyl cation	¹A₁	C_3v
877	CH₂NOH	formaldoxime	¹A^'	C_s
878	CH₃NO	nitrosomethane	¹A^'	C_s
879	CHONH₂	formamide	¹A^'	Planar
880	CHONH₂	formamide	¹A	Non-Planar
881	CNOH₃	1,2-oxaziridine	¹A	C₁
882	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
883	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
884	NHCHSH	Methanimidothioic acid
885	CH₃OO^-	methylperoxy anion	¹A^'	C_s
886	C₂H₄O	Ethylene oxide	¹A₁	C_2v
887	C₂H₄O⁺	ethylene oxide cation
888	CH₃CHO	Acetaldehyde	¹A^'	C_s
889	CH₃CHO⁺	acetaldehyde cation
890	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
891	C₂H₄S	Thiirane	¹A₁	C_2v
892	CH₂CHSH	Ethenethiol
893	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
894	NH₂CHOH⁺	Formamide, O-protonated
895	CH₃SSH	Hydrogen methyl disulfide
896	HSCH₂SH	Methanedithiol
897	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
898	CH₃CH₂O	Ethoxy radical	²A^'	C_s
899	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
900	CH₃CH₂OH	Ethanol	¹A^'	C_s
901	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
902	CH₃CH₂SH	ethanethiol	¹A^'	C_s
903	CH₃CH₂SH	ethanethiol	¹A	C₁
904	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
905	CH₃SCH₃⁺	dimethyl sulfide cation
906	CNF	iso cyanogen fluoride	¹Σ	C_∞v
907	BrCN	Cyanogen bromide	¹Σ	C_∞v
908	FBO	Boron monofluoride monoxide
909	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
910	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
911	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
912	BeBr₂	Beryllium bromide
913	FCO	Carbonyl fluoride	²A^'	C_s
914	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
915	ClCO	carbonyl monochloride	²A^'	C_s
916	BF₂	Boron difluoride radical	²A₁	C_2v
917	FNO	Nitrosyl fluoride	¹A^'	C_s
918	ClNO	Nitrosyl chloride	¹A^'	C_s
919	FNS	Thionitrosyl fluoride	¹A^'	C_s
920	FSN	Thiazyl fluoride	¹A^'	C_s
921	OPCl	Phosphorus oxychloride
922	CF₂	Difluoromethylene	¹A₁	D_∞h
923	CFCl	chlorofluoromethylene	¹A^'	C_s
924	SiF₂	Silicon difluoride	¹A₁	C_2v
925	SiF₂	Silicon difluoride	³B₁	C_2v
926	CCl₂^-	dichloromethylene anion	²B₁	C_2v
927	GeF₂	Germanium difluoride	¹A₁	C_2v
928	GeCl₂	Germanium dichloride	¹A₁	C_2v
929	FOO⁺	Fluorine dioxide cation
930	OClO	Chlorine dioxide	²B₁	D_∞h
931	OClO^-	Chlorine dioxide anion	¹A^'	C_s
932	ClSO	Sulfur chloride oxide	²A^"	C_s
933	BrOO	Bromine dioxide
934	PF₂	Phosphorus difluoride
935	PF₂⁺	Phosphorus difluoride cation
936	FClO	chlorosyl fluoride	¹A^'	C_s
937	ClOF	Chlorine hypofluorite	¹A^'	C_s
938	SF₂	sulfur difluoride	¹A₁	C_2v
939	SF₂^-	sulfur difluoride anion	²A^'	C_s
940	SF₂^-	sulfur difluoride anion	²Π	D_∞h
941	SCl₂	Sulfur dichloride	¹A₁	C_2v
942	SeF₂	Selenium difluoride
943	SeCl₂	Selenium Dichloride
944	SBr₂	Sulfur dibromide
945	SeBr₂	Selenium dibromide
946	Br₃^-	tribromide anion
947	SFCl	Sulfur chloride fluoride
948	HCCF	Fluoroacetylene	¹Σ	C_∞v
949	HFCO⁺	formyl fluoride cation	²A^'	C_s
950	COHCl	Formyl chloride	¹A^'	C_s
951	CHF₂	difluoromethyl radical	²A	C_s
952	CHF₂⁺	difluoromethyl cation
953	CHFCl	Chlorofluoromethyl radical
954	CHFCl⁺	Chlorofluoromethyl cation
955	CHCl₂⁺	dichloromethyl cation
956	HOClO	Chlorous acid	¹A	C₁
957	NHF₂	difluoramine
958	NHCl₂	dichloroamine
959	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
960	SiH₂F₂	difluorosilane
961	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
962	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
963	CH₂Br₂	dibromomethane	¹A₁	C_2v
964	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
965	CH₃MgBr	Methyl Magnesium Bromide
966	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
967	CH₂FOH	fluoromethanol
968	C₂H₅Br	Ethyl bromide	¹A^'	C_s
969	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
970	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
971	C₄	Carbon tetramer	³Σ_g	D_∞h
972	C₄	Carbon tetramer
973	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
974	C₄H₄	cyclobutadiene	¹A_g	D_2h
975	C₄H₄	Tetrahedrane
976	C₄H₆	1-Methylcyclopropene	¹A	C₁
977	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
978	Li₃N	trilithium nitride	¹A^'	D_3h
979	C₂N₂	Cyanogen	¹Σ_g	D_∞h
980	P₄	Phosphorus tetramer	¹A₁	T_d
981	As₄	Arsenic tetramer	¹A₁	T_d
982	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
983	H₂CNCN	cyanamide, methylene
984	HNCCNH	Ethenediimine
985	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
986	C₂H₅CN	ethyl cyanide	¹A^'	C_s
987	CH₅N₃	Guanidine	¹A	C₁
988	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
989	CH₇N₃	triaminomethane
990	N(SiH₃)₃	trisilylamine
991	Na₂O₂	disodium dioxide
992	C₃O	Tricarbon monoxide	¹Σ	C_∞v
993	ONNO	NO dimer	¹A_g	trans C2H
994	ONNO	NO dimer	¹A₁	cis C2V
995	S₂N₂	Disulfur dinitride	¹A_G	D_2h
996	NO₃^-	nitrate anion	¹A₁^'	D_3h
997	SO₃	Sulfur trioxide	¹A₁^'	D_3h
998	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
999	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
1000	SO₃^--	Sulfate dianion
1001	S₄	Sulfur tetramer
1002	S₄	Sulfur tetramer
1003	S₄	Sulfur tetramer
1004	HNO₃	Nitric acid	¹A^'	C_s
1005	C₃H₂O	Propadienal
1006	C₃H₂O	Propadienal
1007	C₂H₂O₂	Ethanedial	¹A_g	C_2h
1008	CH₃NCO	methylisocyante
1009	CH₃NO₂	Methane, nitro-	¹A^'	C_s
1010	H₃AlO₃	Aluminum hydroxide
1011	CH₂CHCHO	Acrolein	¹A^'	C_s
1012	CH₂CHCHO	Acrolein
1013	NH₂CONH₂	Urea	¹A₁	C_2v
1014	CH₃COCH₂	Acetonyl radical	²A^"	C_s
1015	CH₃CH₂CHO	Propanal	¹A^'	C_s
1016	CH₃COCH₃	Acetone	¹A₁	C_2v
1017	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
1018	C₃H₇OH	1-Propanol
1019	Li₂F₂	Lithium fluoride dimer
1020	CF₂O	Carbonic difluoride	¹A₁	C_2v
1021	CF₂O⁺	Carbonic difluoride cation
1022	COFCl	Carbonic chloride fluoride	¹A^'	C_s
1023	Cl₂CS	Thiophosgene	¹A₁	C_2v
1024	BF₃	Borane, trifluoro-	¹A^'	D_3h
1025	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
1026	BF₃⁺	boron trifluoride cation
1027	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1028	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1029	BCl₃⁺	Boron Trichloride cation
1030	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1031	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1032	CF₂Cl	difluorochloromethyl radical
1033	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1034	CFCl₂	dichlorofluoromethyl radical
1035	SiCl₃⁺	trichlorosilyl cation	¹A₁^'	D_3h
1036	FOOF	Perfluoroperoxide	¹A	C₂
1037	ClO₂F	Chloryl fluoride	¹A^'	C_s
1038	SSCl₂	Thiothionyl chloride
1039	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1040	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
1041	NF₃^-	Nitrogen trifluoride anion	²A	C_s
1042	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
1043	NCl₃	nitrogen trichloride	¹A₁	C_3v
1044	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1045	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1046	SF₃	Sulfur trifluoride	²A^'	C_s
1047	HClO₃	Chloric Acid	¹A^'	C_s
1048	HClO₃	Chloric Acid	¹A	C₁
1049	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1050	SiHF₃	trifluorosilane
1051	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1052	CHFClBr	fluorochlorobromomethane	¹A	C₁
1053	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1054	AsF₃H⁺	Arsenic trifluoride, protonated
1055	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1056	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1057	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1058	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1059	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1060	CH₂CHCH₂F	Allyl Fluoride
1061	CH₂CHCH₂F	Allyl Fluoride
1062	CH₃CHCHF	trans-1-Fluoro-1-propene
1063	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1064	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1065	B₅H₉	pentaborane9
1066	C₅H₄	pentatetraene
1067	C₅H₈	Bicyclo[1.1.1]pentane
1068	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1069	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1070	B₂O₃	diboron trioxide
1071	B₂O₃	diboron trioxide
1072	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1073	C₃H₃NO	Isoxazole	¹A^'	C_s
1074	C₄H₄O	Furan	¹A₁	C₂
1075	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1076	CH₂CHSCHCH₂	Divinyl sulfide
1077	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1078	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1079	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1080	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1081	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1082	CCl₄	Carbon tetrachloride	¹A₁	T_d
1083	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1084	CH₂ClCCCl	1,3-dichloropropyne
1085	CHCl₂CCH	3,3-dichloropropyne
1086	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1087	C₂H₂N₂O	Furazan
1088	C₆H₆	Benzene	¹A_1g	D_6h
1089	C₃H₂O₃	vinylene carbonate
1090	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1091	C₅H₆O	2H-Pyran
1092	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1093	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1094	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1095	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1096	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1097	C₅H₄O₂	furfural	¹A^'	OCCO cis
1098	C₅H₄O₂	furfural	¹A^'	OCCO trans
1099	C₆H₁₂O	Oxepane
1100	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1101	C₈H₈	cubane	¹A_1G	O_h
1102	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1103	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1104	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1105	C₁₃H₁₀	Fluorene

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	H₃⁺	hydrogen trimer cation	h3+
6	HeH	Helium hydride	heh
7	K	Potassium atom	k
8	K^-	Potassium atom anion	k-
9	K⁺	Potassium atom cation	k+
10	Cu	Copper atom	cu
11	Cu^-	Copper atom anion	cu-
12	Cu⁺	Copper atom cation	cu+
13	NaH^-	sodium hydride anion	nah-
14	KH	Potassium hydride	kh
15	KH⁺	Potassium hydrogen cation	kh+
16	CuH	Copper monohydride	cuh
17	Ca	Calcium atom	ca
18	Ca^-	Calcium atom anion	ca-
19	Ca⁺	Calcium atom cation	ca+
20	Zn	Zinc atom	zn
21	Zn^-	Zinc atom anion	zn-
22	Zn⁺	Zinc atom cation	zn+
23	ZnH	Zinc monohydride	znh
24	CaH₂	Calcium Hydride	cah2
25	ZnH₂	Zinc hydride	znh2
26	ScH⁺	Scandium monohydride cation	sch+
27	BH₂	boron dihydride	bh2
28	AlH₂	aluminum dihydride	alh2
29	AlH₂^-	aluminum dihydride anion	alh2-
30	AlH₂⁺	aluminum dihydride cation	alh2+
31	AlH₄^-	Aluminum tetrahydride anion	alh4-
32	Ti	Titanium atom	ti
33	Ti^-	Titanium atom anion	ti-
34	Ti⁺	Titanium atom cation	ti+
35	Sn	Tin atom	sn
36	Sn⁺	Tin cation	sn+
37	SiH₂	silicon dihydride	sih2
38	SiH₂^-	silicon dihydride anion	sih2-
39	SiH₂⁺	silicon dihydride cation	sih2+
40	SiH₄⁺	Silane cation	sih4+
41	SnH₄	Stannane	snh4
42	Sb	Antimony atom	sb
43	SbH	Antimony monohydride	sbh
44	ND₂	Amidogen-d2	nd2
45	PH₂	Phosphino radical	ph2
46	ND₃	Ammonia-d3	nd3
47	SbH₃	Stibine	sbh3
48	Cr	Chromium atom	cr
49	Te	Tellurium atom	te
50	Te⁺	Tellurium atom cation	te+
51	CrH	Chromium hydride	crh
52	TeH	Telluryl radical	teh
53	D₂O	Deuterium oxide	d2o
54	D₂S	Hydrogen sulfide-d2	d2s
55	H₂Te	Hydrogen Telluride	h2te
56	Mn	Manganese atom	mn
57	I	Iodine atom	iodine
58	I^-	Iodine atom anion	iodine-
59	I⁺	Iodine atom cation	iodine+
60	HI	Hydrogen iodide	hi
61	HI⁺	Hydrogen iodide cation	hi+
62	H₂F⁺	dihydrogen fluoride cation	h2f+
63	H₂I⁺	Iodonium	h2i+
64	Fe	Iron atom	fe
65	Xe	Xenon atom	xe
66	XeH⁺	Xenon, protonated	xeh+
67	Co	Cobalt atom	cobalt
68	Ni	Nickel atom	ni
69	LiK	Lithium Potassium	lik
70	NaK	Sodium Potassium	nak
71	NaK⁺	Sodium Potassium diatomic cation	nak+
72	K₂	Potassium diatomic	k2
73	Cu₂	Copper diatomic	cu2
74	Al₂^-	aluminum diatomic anion	al2-
75	Al₂⁺	aluminum diatomic cation	al2+
76	SiC^-	silicon monocarbide anion	sic-
77	SiC⁺	silicon monocarbide cation	sic+
78	Ge₂	Germanium diatomic	ge2
79	ZnCH₂	Zinc methylene	znch2
80	CCH₂	vinylidene	vinylidene
81	CuCH₃	monomethyl copper	cuch3
82	ZnCH₃	Zinc monomethyl	znch3
83	CH₂SiH₂	silaethylene	ch2sih2
84	C₂H₅⁺	Ethyl cation	c2h5+
85	CH₃SiH₃	methyl silane	ch3sih3
86	GeH₃CH₃	methyl germane	geh3ch3
87	AlN^-	aluminum mononitride anion	aln-
88	AlN⁺	aluminum mononitride cation	aln+
89	CP^-	carbon monophosphide anion	cp-
90	CP⁺	carbon monophosphide cation	cp+
91	SiP^-	Silicon monophosphide anion	sip-
92	SiP⁺	Silicon monophosphide cation	sip+
93	TiN	Titanium mononitride	tin
94	SbN	Antimony nitride	sbn
95	As₂	Arsenic diatomic	as2
96	HNB	hydrogen nitrogen boron	hnb
97	HNC	hydrogen isocyanide	hnc
98	HCP	Phosphaethyne	hcp
99	NNH	Dinitrogen monohydride	nnh
100	HPO	Hydrogen phosphorus oxide	hpo
101	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
102	H₂CN⁺	hydrocyanonium cation	h2cn+
103	P₂H₄	Diphosphine	p2h4
104	CH₃PH₂	Methyl phosphine	ch3ph2
105	CH₃NH₃⁺	protonated methylamine	ch3nh3+
106	NaO^-	sodium oxide anion	nao-
107	NaO⁺	sodium oxide cation	nao+
108	KO	Potassium monoxide	ko
109	KO⁺	Potassium monoxide cation	ko+
110	CuO	Copper Monoxide	cuo
111	CaS	Calcium sulfide	cas
112	ZnO	zinc monoxide	zno
113	ZnS	Zinc sulfide	zns
114	BeS^-	Beryllium monosulfide anion	bes-
115	BeS⁺	Beryllium monosulfide cation	bes+
116	BS^-	boron monosulfide anion	bs-
117	BS⁺	boron monosulfide cation	bs+
118	AlS^-	aluminum monosulfide anion	als-
119	AlS⁺	aluminum monosulfide cation	als+
120	CS^-	carbon monosulfide anion	cs-
121	CS⁺	carbon monosulfide cation	cs+
122	CSe^-	Carbon monoselenide anion	cse-
123	CSe⁺	Carbon monoselenide cation	cse+
124	AsO	Arsenic monoxide	aso
125	SeO^-	selenium monoxide anion	seo-
126	SeO⁺	selenium monoxide cation	seo+
127	SeS	Selenium monosulfide	ses
128	SeS^-	selenium monosulfide anion	ses-
129	SeS⁺	selenium monosulfide cation	ses+
130	TeO	Tellurium monoxide	teo
131	Se₂^-	selenium diatomic anion	se2-
132	Se₂⁺	selenium diatomic cation	se2+
133	Te₂	Tellurium diatomic	te2
134	NaOH	sodium hydroxide	naoh
135	KOH	Potassium hydroxide	koh
136	MgOH	magnesium hydroxide	mgoh
137	CaOH	Calcium monohydroxide	caoh
138	HCS	Thioformyl radical	hcs
139	HCS⁺	Thioformyl cation	hcs+
140	HO₂^-	Hydroperoxy anion	ho2-
141	CH₃O	Methoxy radical	ch3o
142	CH₃S	thiomethoxy	ch3s
143	NH₃S	sulfidoazane	nh3s
144	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
145	CH₃SeH	Methane selenol	ch3seh
146	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
147	H₂ONH₃	Water Ammonia Dimer	h2onh3
148	KF	Potassium Fluoride	kf
149	KCl	Potassium Chloride	kcl
150	CuF	Copper monofluoride	cuf
151	LiBr^-	lithium bromide anion	libr-
152	LiBr⁺	lithium bromide cation	libr+
153	CuCl	Copper monochloride	cucl
154	NaBr^-	sodium bromide anion	nabr-
155	NaBr⁺	sodium bromide cation	nabr+
156	KBr	Potassium Bromide	kbr
157	LiI	Lithium Iodide	lii
158	NaI	Sodium Iodide	nai
159	KI	Potassium Iodide	ki
160	CaF	Calcium monofluoride	caf
161	CaCl	calcium monochloride	cacl
162	TiCl	Titanium Monochloride	ticl
163	ZnF^-	Zinc monofluoride anion	znf-
164	ZnF⁺	Zinc monofluoride cation	znf+
165	ZnCl	Zinc monochloride	zncl
166	BeCl^-	beryllium monochloride anion	becl-
167	BeCl⁺	beryllium monochloride cation	becl+
168	BCl^-	boron monochloride anion	bcl-
169	AlCl^-	aluminum monochloride anion	alcl-
170	AlCl⁺	aluminum monochloride cation	alcl+
171	AlI	Aluminum monoiodide	ali
172	CF^-	carbon monofluoride anion	cf-
173	CCl^-	carbon monochloride anion	ccl-
174	CCl⁺	carbon monochloride cation	ccl+
175	NCl^-	nitrogen monochloride anion	ncl-
176	NCl⁺	nitrogen monochloride cation	ncl+
177	SbF	Antimony monofluoride	sbf
178	SbCl	Antimony monochloride	sbcl
179	ClO^-	chlorine monoxide anion	clo-
180	IO	Iodine monoxide	io
181	ClF^-	clorine monofluoride anion	clf-
182	BrF^-	bromine fluoride anion	brf-
183	BrF⁺	bromine fluoride cation	brf+
184	BrCl^-	bromine chloride anion	brcl-
185	BrCl⁺	bromine chloride cation	brcl+
186	IF	Iodine monofluoride	if
187	ICl	Iodine monochloride	icl
188	IBr	Iodine monobromide	ibr
189	I₂	Iodine diatomic	i2
190	I₂⁺	Iodine diatomic cation	i2+
191	DOCl	Hypochlorous acid-d	docl
192	HOI	Hypoiodous acid	hoi
193	FHF	Hydrogen difluoride	fhf
194	H₂F₂	Hydrogen fluoride dimer	h2f2
195	SiH₃Br	bromosilane	sih3br
196	CH₃I	methyl iodide	ch3i
197	SiH₃I	Silyl Iodide	sih3i
198	C₃⁺	carbon trimer cation	c3+
199	C₃H₃	cyclopropenyl radical	cpr
200	C₃H₃	Propargyl radical	propargyl
201	C₃H₃⁺	Propargyl cation	c3h3+
202	C₃H₅⁺	Allyl cation	allyl+
203	Zn(CH₃)₂	dimethyl zinc	dmz
204	SiH₂(CH₃)₂	dimethylsilane	dms
205	KCN	Potassium cyanide	kcn
206	CuCN	Copper cyanide	cucn
207	N₃^-	azide anion	n3-
208	HCNN	diazomethyl radical	hcnn
209	CH₂N₂	diazirine	ch2n2
210	CH₂NN	diazomethane	ch2nn
211	NH₂CN	cyanamide	cyanamide
212	CH₃CN⁺	Acetonitrile cation	ch3cn+
213	CH₃NC	methyl isocyanide	ch3nc
214	CHNCH₂	2H-Azirine	c157164
215	CHNHCH	1H-Azirine	chnhch
216	H₂CCNH	Ethenimine	ch2cnh
217	H₂CNCH	methyleneaminomethylene	ch2nch
218	HCCNH₂	Ethynamine	hccnh2
219	NCNH₃⁺	Cyanamide, protonated	ncnh3+
220	CH₂CHNH	vinylazine	ch2chnh
221	NHCHNH₂	aminomethanimine	cn2h4
222	C₂H₅N	Aziridine	c2h5n
223	CH₂CHNH₂	aminoethene	aminoethene
224	CH₂NCH₃	N-methylmethanimine	nmm
225	CH₃CHNH	ethanimine	ethanimine
226	NH₂BHNH₂	diaminoborane	nh2bhnh2
227	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
228	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
229	CH₃NHCH₃	Dimethylamine	ch3nhch3
230	CH₃PHCH₃	dimethylphosphine	ch3phch3
231	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
232	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
233	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
234	CNO^-	fulminate	cno-
235	NCO^-	cyanate	nco-
236	SCN	thiocyanato radical	scn
237	SCN^-	thiocyanide anion	scn-
238	BO₂	Boron dioxide	bo2
239	BO₂⁺	Boron dioxide cation	bo2+
240	N₂O⁺	Nitrous oxide cation	n2o+
241	PPO	Phosphorus oxide phosphide	ppo
242	OCS⁺	Carbonyl sulfide cation	cos+
243	SiO₂	silicon dioxide	sio2
244	CS₂⁺	Carbon disulfide cation	cs2+
245	SiS₂	Silicon disulfide	sis2
246	CSe₂	Carbon diselenide	cse2
247	SCTe	Carbon sulfide Telluride	scte
248	NO₂^-	Nitrogen dioxide anion	no2-
249	PO₂	Phosphorus dioxide	po2
250	PO₂^-	Phosphorus dioxide anion	po2-
251	PO₂⁺	Phosphorus dioxide cation	po2+
252	AsO₂	Aresenic dioxide	aso2
253	O₃^-	Ozone anion	o3-
254	O₃⁺	Ozone cation	o3+
255	SO₂^-	Sulfur dioxide anion	so2-
256	SO₂⁺	Sulfur dioxide cation	so2+
257	S₃^-	Sulfur trimer anion	s3-
258	TeO₂	Tellurium Dioxide	teo2
259	CS₂H⁺	Carbon disulfide, protonated	cs2h+
260	HNCO	Isocyanic acid	hnco
261	HOCN	cyanic acid	hocn
262	HNCS	Isothiocyanic acid	hncs
263	HSCN	thiocyanic acid	hscn
264	HCO₂^-	formate anion	hco2-
265	HNNO	nitrosoazane	hnno
266	HNNO⁺	Nitrous oxide, N-protonated	hnno+
267	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
268	HOCO⁺	Hydrocarboxyl cation	hoco+
269	HNO₂	Nitrous acid	hno2
270	HNO₂⁺	nitrous acid cation	hno2+
271	SO₂H⁺	protonated sulfur dioxide	so2h+
272	CH₂CO⁺	Ketene cation	ch2co+
273	HCCOH	ethynol	hccoh
274	CH₂O₂	Dioxirane	diox
275	HSSSH	trisulfane	hsssh
276	NaOCH₃	Sodium methoxide	naoch3
277	CH₂CHO	Vinyloxy radical	ch2cho
278	CH₃CO	Acetyl radical	ch3co
279	CH₃CO^-	Acetyl anion	ch3co-
280	CHSNH₂	thioformamide	chsnh2
281	CH₂OOH	CH2OOH radical	ch2ooh
282	CH₃OO	methylperoxy radical	ch3oo
283	CH₃OO⁺	methylperoxy cation	ch3oo+
284	CH₂CHOH	ethenol	ch2choh
285	CH₃CHS	Thioacetaldehyde	ch3chs
286	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
287	CH₂(OH)₂	methanediol	ch2o2h2
288	CH₃OOH	Methyl peroxide	ch3ooh
289	H₂OH₂CO	water formaldehyde dimer	h2oh2co
290	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
291	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
292	CH₃OCH₂	methoxymethyl radical	ch3och2
293	NH₂CH₂OH	aminomethanol	nh2ch2oh
294	CH₃SeCH₃	dimethylselenide	dmse
295	CH₃OHH₂O	methanol water dimer	ch3ohh2o
296	H₂OCH₃OH	water methanol dimer	h2och3oh
297	CuF₂	Copper difluoride	cuf2
298	ZnF₂	Zinc difluoride	znf2
299	FCN	Cyanogen fluoride	fcn
300	ClCN	chlorocyanogen	clcn
301	ICN	Cyanogen iodide	icn
302	MgCl₂	Magnesium dichloride	mgcl2
303	CaCl₂	Calcium Chloride	cacl2
304	ZnCl₂	Zinc dichloride	zncl2
305	CaBr₂	Calcium dibromide	cabr2
306	CaF₂	Calcium difluoride	caf2
307	BrNO	Nitrosyl bromide	brno
308	INO	Nitrosyl iodide	ino
309	CF₂^-	Difluoromethylene anion	cf2-
310	CF₂⁺	Difluoromethylene cation	cf2+
311	SiF₂⁺	Silicon difluoride cation	sif2+
312	CCl₂	dichloromethylene	ccl2
313	CCl₂⁺	dichloromethylene cation	ccl2+
314	SiCl₂	Dichlorosilylene	sicl2
315	CBr₂	dibromomethylene	cbr2
316	FOO	Dioxygen monofluoride radical	foo
317	ClOO	chloroperoxy radical	cloo
318	ClOO⁺	chloroperoxy cation	cloo+
319	OClO⁺	Chlorine dioxide cation	oclo+
320	ClS₂	Sulfur chloride	cls2
321	OBrO	Bromine dioxide radical	obro
322	NF₂	Difluoroamino radical	nf2
323	NF₂⁺	Difluoroamino cation	nf2+
324	F₂O	Difluorine monoxide	f2o
325	SF₂⁺	sulfur difluoride cation	sf2+
326	Cl₂O	Dichlorine monoxide	cl2o
327	BrOCl	Bromine hypochlorite	brocl
328	BrOBr	Bromine oxide	brobr
329	F₃^-	trifluoride anion	f3-
330	Cl₃^-	trichloride anion	cl3-
331	I₃^-	triiodide	i3-
332	HCCF⁺	fluoroacetylene cation	hccf+
333	HCCCl	Chloroacetylene	hcccl
334	HCCBr	bromoacetylene	hccbr
335	HFCO	formyl fluoride	hfco
336	COHBr	Formyl bromide	cohbr
337	BHF₂	Difluoroborane	bhf2
338	BHCl₂	Borane, dichloro-	bhcl2
339	CHCl₂	dichloromethyl radical	chcl2
340	CHBr₂	dibromomethyl radical	chbr2
341	CH₂FCl	fluorochloromethane	ch2fcl
342	CH₂BrF	Methane, bromofluoro-	ch2fbr
343	CH₂FI	fluoroiodomethane	ch2fi
344	CH₂ClI	chloroiodomethane	ch2cli
345	CH₂BrI	bromoiodomethane	ch2bri
346	CH₂I₂	Diiodomethane	ch2i2
347	CH₂CHF⁺	fluoroethene cation	ch2chf+
348	C₂H₃Cl	Ethene, chloro-	ch2chcl
349	C₂H₃Br	vinyl bromide	c2h3br
350	C₂H₃I	Vinyl iodide	c2h3i
351	CH₃OCl	methyl hypochlorite	ch3ocl
352	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
353	CHClCH₃	1-chloroethyl radical	chclch3
354	C₂H₅F	fluoroethane	c2h5f
355	CH₃CH₂Cl	Ethyl chloride	c2h5cl
356	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
357	C₂H₅I	Ethyl iodide	c2h5i
358	XeF₂	Xenon difluoride	xef2
359	C₄⁺	Carbon tetramer cation	c4+
360	C₄H₂	Diacetylene	c4h2
361	C₂H₃CCH	1-Buten-3-yne	c2h3cch
362	H₂CCCCH₂	Butatriene	h2cccch2
363	C₄H₆	Cyclobutene	c822355
364	C₄H₆	Methylenecyclopropane	c6142730
365	CH₂CCHCH₃	1,2-Butadiene	butad12
366	CH₂CHCHCH₂	1,3-Butadiene	c106990
367	CH₃CCCH₃	2-Butyne	c503173
368	CHCCH₂CH₃	1-Butyne	c107006
369	CH₃CHCHCH₂	methylallyl radical	c4h7
370	C₄H₈	methylcyclopropane	mcp
371	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
372	CH₂CHCH₂CH₃	1-Butene	bute1
373	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
374	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
375	B(CH₃)₃	trimethylborane	bme3
376	Al(CH₃)₃	trimethyl aluminum	tma
377	C(CH₃)₃	Tert-butyl radical	tbutyl
378	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
379	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
380	CH₃CH(CH₃)CH₃	Isobutane	isobutane
381	SiH(CH₃)₃	trimethylsilane	trimsi
382	C₂N₂⁺	Cyanogen cation	c2n2+
383	HCCCN	Cyanoacetylene	hcccn
384	C₃H₃N	acrylonitrile	ch2chcn
385	CH₃N₃	methyl azide	ch3n3
386	NH₂CCNH₂	Diaminoacetylene	daa
387	NH₂CH₂CN	Aminoacetonitrile	aan
388	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
389	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
390	H₂NCHCHNH₂	diaminoethylene	dae
391	CH₆N₃⁺	guanidinium	ch6n3+
392	C₃H₇N	Cyclopropylamine	cpram
393	C₃H₇N	Azetidine	azet
394	C₄H₈	cyclobutane	cbutane
395	C₂H₈N₂	Ethylenediamine	ethdiam
396	CH₃NHNHCH₃	dimethyl hydrazine	dmh
397	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
398	N(CH₃)₃	Trimethylamine	trimeam
399	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
400	P(CH₃)₃	trimethylphosphine	tmp
401	As(CH₃)₃	trimethyl arsine	tmas
402	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
403	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
404	Li₂O₂	dilithium dioxide	li2o2
405	K₂O₂	dipotassium dioxide	k2o2
406	B₂O₂	Diboron dioxide	b2o2
407	CO₃	Carbon trioxide	co3
408	CO₃^--	carbonate	co3--
409	CS₃^--	Carbonotrithioate	cs3--
410	NO₃	Nitrogen trioxide	no3
411	NO₃⁺	nitrogen trioxide cation	no3+
412	SO₃⁺	Sulfur trioxide cation	so3+
413	SeO₃	selenium trioxide	seo3
414	TeO₃	Tellurium trioxide	teo3
415	HCO₃^-	bicarbonate anion	hco3-
416	HSO₃	Hydroxysulfonyl radical	hso3
417	NH₂NO₂	nitramide	nh2no2
418	C₂H₂CO	cyclopropenone	c2h2co
419	HCCCHO	2-propynal	hcccho
420	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
421	H₂CO₃	Carbonic acid	h2co3
422	H₂CS₃	thiocarbonic acid	h2cs3
423	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
424	H₂SO₃	Sulfurous acid	h2so3
425	C₂H₃NO	Nitrosoethylene	c2h3no
426	HOCH₂CN	cyanomethanol	hoch2cn
427	CH₃COO^-	acetate anion	ch3coo-
428	CH₃ONO	Methyl nitrite	ch3ono
429	NH₂COOH	Carbamic acid	nh2cooh
430	H₃BO₃	Boric acid	h3bo3
431	H₃CO₃⁺	carbonic acid, protonated	h3co3+
432	C₃H₄O	2-Propyn-1-ol	c107197
433	C₃H₄O	allenol	c9000071
434	C₃H₄O	Cyclopropanone	cpone
435	C₃H₄O	Methylketene	c6004440
436	NH₂CONH₂⁺	Urea cation	urea+
437	NH₂CSNH₂	Thiourea	thiourea
438	C₂H₄O₂	1,3-dioxetane	c2h4o2
439	CH₃COOH	Acetic acid	ch3cooh
440	CH₃OCHO	methyl formate	ch3ocho
441	CHOCH₂OH	hydroxy acetaldehyde	haa
442	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
443	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
444	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
445	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
446	HCOOHH₂O	Formic acid water dimer	hcoohh2o
447	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
448	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
449	CH₃C(OH)=NH	Ethaninidic acid	eia
450	CH₃CHNOH	Acetaldoxime	acetaldoxime
451	CH₃CONH₂	Acetamide	acetamide
452	HCONHCH₃	N-methylformamide	nmfa
453	CH₃CSNH₂	Ethanethioamide	ch3csnh2
454	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
455	H₂NCOHNH₂⁺	urea, protonated	ureah+
456	C₂H₅OO	ethylperoxy radical	c2h5oo
457	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
458	C₃H₅OH	Cyclopropanol	cproh
459	C₃H₆O	2-Propen-1-ol	c107186
460	C₃H₆O	Acetone enol	enol
461	C₃H₆O	Oxetane	oxetane
462	C₃H₆O	Propylene oxide	prox
463	CH₃COCH₃^-	acetone anion	ch3coch3-
464	C₃H₆S	Thietane	thietane
465	C₃H₆S	Thiirane, methyl-	methiirane
466	CH₃CSCH₃	Thioacetone	ch3csch3
467	C₂H₆O₂	1,2-Ethanediol	ethdiol
468	CH₃OOCH₃	dimethylperoxide	dmp
469	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
470	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
471	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
472	HOCH₂CH₂NH₂	monoethanolamine	mea
473	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
474	CH₃OC₂H₅	Ethane, methoxy-	etome
475	C₃H₇SH	1-Propanethiol	prsh
476	CH₃CHSHCH₃	2-Propanethiol	isoprsh
477	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
478	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
479	Na₂F₂	Sodium Fluoride Dimer	na2f2
480	Na₂Cl₂	Disodium dichloride	na2cl2
481	C₂F₂	difluoroacetylene	c2f2
482	C₂Cl₂	dichloroacetylene	c2cl2
483	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
484	FNO₂	Nitryl fluoride	fno2
485	FONO	Nitrosyl hypofluorite	fono
486	ClNO₂	Nitryl chloride	clno2
487	ClONO	chlorine nitrite	clono
488	BrONO	Bromine nitrite	brono
489	N₂F₂	(Z)-Difluorodiazene	n2f2_z
490	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
491	CCl₂O	Phosgene	cl2co
492	COBr₂	Carbonic dibromide	cobr2
493	BClF₂	Chlorodifluoroborane	bclf2
494	AlF₂Cl	Aluminum chloride difluoride	alclf2
495	ScF₃	Scandium trifluoride	ScF3
496	AlFCl₂	Aluminum dichloride fluoride	alcl2f
497	AlCl₃	Aluminum trichloride	alcl3
498	BBr₃	Boron tribromide	bbr3
499	AlBr₃	Aluminum Bromide	albr3
500	ClO₃	Chlorine trioxide	clo3
501	ClO₃^-	chlorate anion	clo3-
502	BrO₃^-	Bromate anion	bro3-
503	CF₃	Trifluoromethyl radical	cf3
504	CF₃^-	Trifluoromethyl anion	cf3-
505	CF₃⁺	Trifluoromethyl cation	cf3+
506	SiF₃	Silicon trifluoride radical	sif3
507	CCl₃	Trichloromethyl radical	ccl3
508	CCl₃^-	Trichloromethyl anion	ccl3-
509	CCl₃⁺	Trichloromethyl cation	ccl3+
510	SiCl₃	trichlorosilyl radical	sicl3
511	CBr₃	tribromomethyl radical	cbr3
512	F₂SO	Thionyl Fluoride	f2so
513	ClOOCl	Dichlorine dioxide	cloocl
514	FSSF	Difluorodisulfane	fssf
515	S₂F₂	Thio-thionyl fluoride	s2f2
516	SOCl₂	thionyl chloride	socl2
517	SeOCl₂	selenium oxychloride	seocl2
518	PF₃	Phosphorus trifluoride	pf3
519	AsF₃	Arsenic trifluoride	asf3
520	PCl₃	Phosphorus trichloride	pcl3
521	SbF₃	Antimony Trifluoride	sbf3
522	AsCl₃	Arsenous trichloride	ascl3
523	SbCl₃	Antimony Trichloride	sbcl3
524	AsBr₃	Arsenic tribromide	asbr3
525	NI₃	Nitrogen triiodide	ni3
526	PI₃	Phosphorus triiodide	pi3
527	ClSSCl	Disulfur dichloride	s2cl2
528	ClF₃	Chlorine trifluoride	clf3
529	BrF₃	Bromine trifluoride	brf3
530	IF₃	iodone trifluoride	if3
531	CHF₂Cl	difluorochloromethane	chf2cl
532	CHFCl₂	fluorodichloromethane	chfcl2
533	CDCl₃	trichloromethane-d	cdcl3
534	CHCl₃	Chloroform	chcl3
535	SiHCl₃	Trichlorosilane	sihcl3
536	CHF₂I	difluoroiodomethane	chf2i
537	CHBr₂F	dibromofluoromethane	chbr2f
538	CHFClI	fluorochloroiodomethane	chfcli
539	CHCl₂I	dichloroiodomethane	chcl2i
540	CHClBr₂	Methane, dibromochloro-	chclbr2
541	CHBr₃	bromoform	chbr3
542	CHI₃	Iodoform	chi3
543	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
544	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
545	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
546	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
547	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
548	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
549	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
550	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
551	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
552	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
553	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
554	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
555	CH₃COF	Acetyl fluoride	ch3cof
556	CH₂ClCHO	chloroacetaldehyde	ch2clcho
557	CH₃COCl	Acetyl Chloride	ch3cocl
558	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
559	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
560	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
561	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
562	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
563	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
564	CH₂CFCH₃	2-fluoropropene	2fpro
565	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
566	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
567	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
568	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
569	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
570	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
571	CH₂FCH₂CH₃	1-Fluoropropane	prf1
572	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
573	CH₃CH₂CH₂Br	n-propyl bromide	prbr
574	CH₃CHBrCH₃	i-propyl bromide	iprbr
575	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
576	C₅H₅	cyclopentadienyl radical	c5h5
577	C₅H₅^-	cylopentadienyl anion	c5h5-
578	C₅H₆	1,3-Cyclopentadiene	c542927
579	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
580	C₅H₆	3-Penten-1-yne, (E)-	c2004695
581	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
582	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
583	C₅H₆	Cyclopropylacetylene	c6746947
584	C₅H₆	Propellane	propellane
585	C₅H₇	1,3-pentadienyl radical	pdyl
586	C₅H₇	cyclopentenyl radical	cpyl
587	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
588	C₅H₈	1,2-Pentadiene	c591957
589	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
590	C₅H₈	1,3-Pentadiene, (E)-	c2004708
591	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
592	C₅H₈	1,4-Pentadiene	c591935
593	C₅H₈	1-pentyne	a1pentyne
594	C₅H₈	2,3-Pentadiene	c591968
595	C₅H₈	Cyclobutane, methylene-	c1120565
596	C₅H₈	Cyclopentene	c142290
597	C₅H₈	Ethenylcyclopropane	c693867
598	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
599	C₅H₁₀	1-Butene, 2-methyl-	c563462
600	C₅H₁₀	2-Butene, 2-methyl-	c513359
601	C₅H₁₀	2-Pentene, (E)-	c646048
602	C₅H₁₀	2-Pentene, (Z)-	c627203
603	C₅H₁₀	Cyclopentane	c287923
604	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
605	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
606	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
607	C₅H₁₂	Butane, 2-methyl-	buta2
608	C₅H₁₂	Pentane	pentane
609	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
610	Si(CH₃)₄	tetramethylsilane	tms
611	N₂O₃	Dinitrogen trioxide	n2o3
612	C₃H₂N₂	Malononitrile	c3h2n2
613	CH₂N₄	1H-Tetrazole	1htz
614	C₃H₃N₂	imidazolyl radical	im
615	C₃H₃N₂^-	imidizolyl anion	im-
616	C₂H₃N₃	1H-1,2,4-Triazole	c288880
617	C₄H₄N	pyrrolide radical	c4h4n
618	C₄H₄N^-	pyrrolide anion	c4h4n-
619	C₃H₄N₂	1H-Imidazole	1himidaz
620	C₃H₄N₂	1H-Pyrazole	1hpyraz
621	C₃H₄N₂	2H-Imidazole	imid2h
622	C₄H₅N	(E)-2-Butenenitrile	c627269
623	C₄H₅N	(Z)-2-Butenenitrile	c1190767
624	C₄H₅N	2H-pyrrole	pyrrole2
625	C₄H₅N	3H-pyrrole	pyrrole3
626	C₄H₅N	Cyclopropanecarbonitrile	c5500210
627	C₄H₅N	Pyrrole	pyrrole
628	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
629	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
630	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
631	C₄H₆N⁺	pyrrole, protonated	ppyr
632	C₃H₆N₂	3-Aminopropionitrile	c151188
633	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
634	CH₃CH₂CH₂CN	Butanenitrile	c109740
635	C₅H₈	Bicyclo[2.1.0]pentane	c185944
636	C₅H₈	Spiropentane	c157404
637	C₄H₉N	Cyclobutylamine	cbam
638	C₄H₉N	Pyrrolidine	pyrrolidine
639	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
640	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
641	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
642	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
643	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
644	NH(C₂H₅)₂	diethylamine	dea
645	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
646	C₃O₂⁺	Carbon suboxide cation	c3o2+
647	MgCO₃	Magnesium Carbonate	mgco3
648	BeCO₃	Beryllium Carbonate	beco3
649	CaCO₃	Calcium Carbonate	caco3
650	ONONO	Nitrosyl nitrite	onono
651	PO₄^---	phosphate	po4---
652	SO₄^--	sulfate	so4--
653	HOONO₂	peroxy nitric acid	hoono2
654	HSO₄^-	bisulfate anion	hso4-
655	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
656	CHOCOOH	oxo acetic acid	oaa
657	CHOOCHO	diformyl ether	choocho
658	H₂SO₄	Sulfuric acid	h2so4
659	H₂SeO₄	Selenic acid	h2seo4
660	C₃H₃NO	Oxazole	oxazole
661	C₃H₃NS	Thiazole	thiazole
662	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
663	CH₃NO₃	Methyl nitrate	ch3no3
664	H₃PO₄	Phosphoric Acid	h3po4
665	C₄H₄O	Furan	furan
666	C₄H₄O⁺	Furan cation	furan+
667	CH₃COCCH	3-butyn-2-one	c1423605
668	C₄H₄S	Thiophene	furans
669	C₄H₄Se	selenophene	c4h4se
670	C₃H₄O₂	β–Propiolactone	beta
671	C₃H₄O₂	2-Propenoic acid	propenoic2
672	C₃H₄O₂	Methyl glyoxal	megly
673	C₃H₄O₂	propanedial	propanedial
674	C₃H₄O₂	propenalol	propenalol
675	HOCHCCHOH	allenediol	aldiol
676	C₂H₄O₃	trioxolane124	triox
677	HOCH₂COOH	Hydroxyacetic acid	hac
678	CH₂CHCONH₂	Acrylamide	c79061
679	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
680	CH₅N₃S	Hydrazinecarbothioamide	c79196
681	H₂NCH₂COOH	Glycine	glycine
682	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
683	C₄H₆O	cis-2-butenal	butenal2c
684	C₄H₆O	Cyclobutanone	cbutone
685	C₄H₆O	Furan, 2,3-dihydro-	furan23h
686	C₄H₆O	Furan, 2,5-dihydro-	furan25h
687	CH₂CHOCHCH₂	Vinyl ether	vinylether
688	CHOCHCHCH₃	2-Butenal	butenal2
689	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
690	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
691	C₂H₆N₂O	Urea, methyl-	c598505
692	C₃H₆O₂	1,3-Dioxolane	dioxolane
693	CH₃CH₂COOH	Propanoic Acid	propanoic
694	CH₃COOCH₃	methyl acetate	aame
695	HCOOC₂H₅	Ethyl formate	faee
696	C₂H₆O₂S	Dimethyl sulfone	c67710
697	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
698	C₃H₇NO	dimethylformamide	dmf
699	C₃H₇NO	Propanamide	propanam
700	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
701	C₄H₈O	Cyclobutanol	c2919235
702	C₄H₈O	Furan, tetrahydro-	thf
703	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
704	CH₃COCH₂CH₃	2-Butanone	buta2one
705	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
706	CHOCH₂CH₂CH₃	Butanal	butanal
707	C₄H₈S	Thiophene, tetrahydro-	tht
708	C₃H₈O₂	1,3-Propanediol	c504632
709	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
710	C₃H₈O₂	Methane, dimethoxy-	c109875
711	C₃H₈O₂	Propylene glycol	c57556
712	C₃H₈S₂	1,3-Propanedithiol	c109808
713	C₄H₁₀O	1-Butanol	butanol1
714	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
715	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
716	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
717	C₄H₁₀O	Methyl propyl ether	meopr
718	C₄H₁₀O	Propane, 2-methoxy-	c598538
719	C₄H₁₀O⁺	1-Butanol cation	butanol1+
720	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
721	C₂H₅SC₂H₅	Diethyl sulfide	etset
722	C₄H₉SH	1-Butanethiol	bush
723	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
724	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
725	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
726	FNO₃	Fluorine nitrate	fno3
727	ClONO₂	Chlorine nitrate	clono2
728	BrONO₂	Bromine nitrate	brono2
729	TiCl₄	Titanium tetrachloride	ticl4
730	ClO₄^-	perchlorate anion	clo4-
731	BF₄^-	tetrafluoroboron anion	bf4-
732	ClFO₃	Perchloryl fluoride	clfo3
733	SO₂F₂	Sulfuryl fluoride	so2f2
734	SO₂Cl₂	Sulfuryl chloride	so2cl2
735	F₃NO	Nitrogen trifluoride oxide	f3no
736	F₃PO	Phosphoryl fluoride	pf3o
737	Cl₃PO	Phosphoryl chloride	pcl3o
738	CF₄	Carbon tetrafluoride	cf4
739	SiF₄	Silicon tetrafluoride	sif4
740	TiF₄	Titanium tetrafluoride	tif4
741	CFCl₃	Trichloromonofluoromethane	cfcl3
742	CCl₄⁺	Carbon tetrachloride cation	ccl4+
743	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
744	SiCl₄	Silane, tetrachloro-	sicl4
745	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
746	CF₃I	trifluoroiodomethane	cf3i
747	CBrCl₃	Methane, bromotrichloro-	cbrcl3
748	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
749	GeCl₄	Germanium Tetrachloride	gecl4
750	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
751	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
752	CCl₃I	trichloroiodomethane	ccl3i
753	CFBr₃	fluorotribromomethane	cfbr3
754	CFClBrI	fluorochlorobromoiodomethane	cfclbri
755	CBr₃Cl	tribromochloromethane	cbr3cl
756	CF₂I₂	difluorodiiodomethane	cf2i2
757	CBr₄	Carbon tetrabromide	cbr4
758	CCl₂I₂	dichlorodiiodomethane	ccl2i2
759	SiBr₄	Silicon tetrabromide	sibr4
760	CBr₃I	tribromoiododmethane	cbr3i
761	GeBr₄	Germanium tetrabromide	gebr4
762	CI₄	tetraiodomethane	ci4
763	SiI₄	silicon tetraiodide	sii4
764	ClOF₃	Chlorine trifluoride oxide	clof3
765	SeF₄	Selenium tetrafluoride	sef4
766	SCl₄	Sulfur tetrachloride	scl4
767	C₂HF₃	Trifluoroethylene	c2hf3
768	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
769	CHClCCl₂	Trichloroethylene	chclccl2
770	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
771	HClO₄	perchloric acid	hclo4
772	HSO₃F	Fluorosulfonic acid	hso3f
773	CF₃OH	trifluoromethanol	cf3oh
774	CHClCCHCl	1,3-dichloroallene	chclcchcl
775	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
776	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
777	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
778	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
779	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
780	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
781	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
782	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
783	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
784	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
785	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
786	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
787	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
788	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
789	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
790	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
791	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
792	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
793	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
794	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
795	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
796	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
797	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
798	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
799	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
800	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
801	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
802	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
803	C₄H₉F	1-fluorobutane	butaf1
804	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
805	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
806	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
807	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
808	XeF₄	Xenon tetrafluoride	xef4
809	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
810	NH₃BF₃	Amminetrifluoroboron	nh3bf3
811	C₆H₂	hexatriyne	c6h2
812	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
813	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
814	C₆H₄	Benzyne	benzyne
815	C₆H₅	phenyl	phenyl
816	C₆H₅^-	phenyl anion	phenyl-
817	C₆H₆	Prismane	prismane
818	C₆H₆	1,2,4,5-Hexatetraene	ht1245
819	C₆H₆	2,4-Hexadiyne	hexadiyne
820	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
821	C₆H₆	Benzvalene	bv
822	C₆H₆	Dewar Benzene	dewar
823	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
824	C₆H₆	Trimethylenecycopropane	tmcp
825	C₆H₆⁺	Benzene cation	c6h6+
826	C₆H₇⁺	benzene, protonated	c6h7+
827	C₆H₈	(E)-hexa-1,3,5-triene	c821078
828	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
829	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
830	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
831	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
832	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
833	C₆H₈	3-Methylenecyclopentene	c930267
834	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
835	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
836	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
837	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
838	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
839	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
840	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
841	C₆H₁₀	1,5-Hexadiene	c592427
842	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
843	C₆H₁₀	1-Hexyne	hexyne1
844	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
845	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
846	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
847	C₆H₁₀	2-Hexyne	c764352
848	C₆H₁₀	3-Hexyne	hexyne3
849	C₆H₁₀	cyclohexene	cyclohexene
850	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
851	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
852	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
853	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
854	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
855	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
856	C₆H₁₂	(E)-2-Hexene	e2hexene
857	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
858	C₆H₁₂	(E)-hex-3-ene	e3hexene
859	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
860	C₆H₁₂	(Z)-hex-2-ene	z2hexene
861	C₆H₁₂	(Z)-hex-3-ene	z3hexene
862	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
863	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
864	C₆H₁₂	3-methylenepentane	c760214
865	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
866	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
867	C₆H₁₂	Cyclohexane	cyclohexane
868	C₆H₁₂	Cyclopentane, methyl-	c96377
869	C₆H₁₂	Ethylcyclobutane	c4806615
870	C₆H₁₂	hex-1-ene	hexene1
871	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
872	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
873	C₆H₁₄	Hexane	hexane
874	C₆H₁₄	Pentane, 2-methyl-	penta2
875	C₆H₁₄	Pentane, 3-methyl-	penta3
876	C₄N₂	2-Butynedinitrile	c4n2
877	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
878	C₄H₂N₂	Fumaronitrile	c4h2n2
879	C₂H₂N₄	sym-tetrazine	ttz
880	C₃H₃N₃	1,3,5-Triazine	triazine135
881	CH₃N₅	5-Aminotetrazole	c4418615
882	C₄H₄N₂	1,3-Diazine	diazine13
883	C₄H₄N₂	Pyrazine	pyrazine
884	C₄H₄N₂	Pyridazine	pyridazine
885	C₄H₄N₂	Succinonitrile	c110612
886	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
887	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
888	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
889	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
890	C₅H₅N	E-2,4-pentadienenitrile	bdcn
891	C₅H₅N	Pyridine	pyridine
892	B₃N₃H₆	borazine	borazine
893	C₆H₆	Fulvene	fulvene
894	C₅H₆N⁺	Pyridinium	c5h6n
895	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
896	C₅H₇N	(E)-2-Pentenenitrile	c26294984
897	C₅H₇N	(E)-3-Pentenenitrile	c16529661
898	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
899	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
900	C₅H₇N	Cyclobutanecarbonitrile	c4426113
901	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
902	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
903	C₅H₉N	Pentanenitrile	c110598
904	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
905	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
906	C₅H₁₁N	Cyclopentanamine	cypentam
907	C₅H₁₁N	Piperidine	piper
908	C₄H₁₂N₂	1,2-Butanediamine	c4426486
909	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
910	Li₂CO₃	Lithium Carbonate	li2co3
911	Na₂CO₃	Sodium Carbonate	na2co3
912	C₂O₄^--	oxalate anion	c2o4
913	MgSO₄	Magnesium Sulfate	mgso4
914	N₂O₄	Dinitrogen tetroxide	n2o4
915	C₂H₂O₄	Oxalic Acid	oxalic
916	C₂H₃NO₃	Oxamic acid	oxamic
917	C₄H₄O₂	2(5H)-Furanone	furanone
918	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
919	C₂H₄N₂O₂	Oxalamide	oxalamide
920	C₂H₄N₂S₂	Ethanedithioamide	c79403
921	C₂H₄CO₃	Ethylene carbonate	etco3
922	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
923	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
924	C₄H₅NO	3-Methylisoxazole	isox3m
925	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
926	C₄H₅NS	4-Methylthiazole	c693958
927	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
928	C₅H₆O	2-methylfuran	furan2m
929	C₅H₆O	3-Methylfuran	furan3m
930	C₅H₆O	Pentadienal	pdal
931	C₅H₆S	Thiophene, 2-methyl-	c554143
932	C₅H₆S	Thiophene, 3-methyl-	c616444
933	C₄H₆O₂	2,3-Butanedione	c431038
934	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
935	C₄H₆O₂	Crotonic Acid	crot
936	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
937	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
938	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
939	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
940	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
941	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
942	C₄H₆OS	Vinyl sulfoxide	c1115157
943	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
944	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
945	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
946	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
947	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
948	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
949	C₄H₇NO	2-Pyrrolidinone	c616455
950	C₄H₇NO	Ethoxyacetonitrile	etoaccn
951	C₄H₇NO	Methacrylamide	c79390
952	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
953	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
954	C₃H₇ONO	Propyl nitrite	prono
955	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
956	CH₃CH(NH₂)COOH	Alanine	alanine
957	CH₃NHCH₂COOH	Sarcosine	sarcosine
958	NH₂CH₂CH₂COOH	β–alanine	betaalanine
959	NH₂COOC₂H₅	Urethane	urethane
960	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
961	C₅H₈O	Cyclopentanone	c120923
962	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
963	C₅H₈O	Methyl cyclopropyl ketone	c765435
964	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
965	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
966	NH₂CONHC₂H₅	Urea, ethyl-	c625525
967	C₄H₈O₂	1,3-Dioxane	dioxan13
968	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
969	C₄H₈O₂	1,4-Dioxane	dioxan14
970	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
971	C₄H₈OS	s-Ethyl thioacetate	c625605
972	C₃H₈O₃	1,2,3-Propanetriol	glycerin
973	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
974	C₄H₉NO	Butanamide	c541355
975	C₄H₉NO	Propanamide, 2-methyl-	c563837
976	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
977	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
978	C₅H₁₀O	2-methylbutyraldehyde	2meba
979	C₅H₁₀O	2-Pentanone	mpk
980	C₅H₁₀O	3-Pentanone	dek
981	C₅H₁₀O	Cyclopentanol	c96413
982	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
983	C₅H₁₀O	Pentanal	pal
984	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
985	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
986	C₅H₁₀S	Cyclopentanethiol	c1679078
987	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
988	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
989	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
990	C₄H₁₀O₂	1,3-Butanediol	budiol13
991	C₄H₁₀O₂	1,4-Butanediol	budiol14
992	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
993	C₄H₁₀OS	Diethyl sulfoxide	c70291
994	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
995	C₄H₁₁NO	Diethylhydroxylamine	c3710847
996	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
997	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
998	C₅H₁₂O	1-Pentanol	pentanol1
999	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1000	C₅H₁₂O	2-Pentanol	peol2
1001	C₅H₁₂O	3-Pentanol	pentan3ol
1002	C₅H₁₂O	Butane, 1-methoxy-	meobu
1003	C₅H₁₂O	Propane, 1-ethoxy-	proet
1004	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1005	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1006	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1007	C₅H₁₂S	1-Pentanethiol	c110667
1008	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1009	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1010	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1011	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1012	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1013	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1014	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1015	C₄F₂	difluorobutadiyne	c4f2
1016	ClCOClCO	Oxalyl chloride	oxcl
1017	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1018	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1019	B₂F₄	Diboron tetrafluoride	b2f4
1020	B₂Cl₄	Diboron tetrachloride	b2cl4
1021	C₂F₄	Tetrafluoroethylene	c2f4
1022	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1023	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1024	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1025	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1026	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1027	C₂FCl₃	fluorotrichloroethene	c2fcl3
1028	C₂Cl₄	Tetrachloroethylene	c2cl4
1029	C₂Br₄	tetrabromoethene	c2br4
1030	CF₃OF	Trifluoromethylhypofluorite	cf3of
1031	SiF₅^-	silicon pentafluoride anion	sif5-
1032	SOF₄	Sulfur tetrafluoride oxide	sof4
1033	AsF₅	Arsenic pentafluoride	asf5
1034	PCl₅	Phosphorus pentachloride	pcl5
1035	SF₅	Sulfur pentafluoride	sf5
1036	SF₅⁺	pentafluoro sulfur cation	sf5+
1037	SbCl₅	Antimony pentachloride	sbcl5
1038	BrF₅	bromine pentafluoride	brf5
1039	ClF₅	chlorinepentafluoride	clf5
1040	IF₅	pentafluoroiodine	if5
1041	CF₃CHO	trifluoroacetaldehyde	cf3cho
1042	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1043	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1044	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1045	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1046	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1047	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1048	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1049	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1050	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1051	CF₃COOH	trifluoroacetic acid	cf3cooh
1052	C₄H₃ClO	Furan, 2-chloro	fur2cl
1053	C₄H₃ClO	Furan,3-chloro	fur3cl
1054	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1055	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1056	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1057	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1058	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1059	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1060	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1061	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1062	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1063	C₄H₈O₂	Butanoic acid	bua
1064	C₆H₅CH₂	benzyl radical	benzyl
1065	C₇H₇	cycloheptatrienyl radical	c7h7
1066	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1067	C₆H₅CH₃	toluene	toluene
1068	C₇H₈	cycloheptatriene	cht
1069	C₇H₈	Norbornadiene	norbor
1070	C₇H₈	Quadricyclane	qucy
1071	C₇H₁₂	Norbornane	nor
1072	C₇H₁₄	cycloheptane	c7h14
1073	C₇H₁₆	2-methylhexane	2mhex
1074	C₇H₁₆	3-methylhexane	hex3m
1075	C₇H₁₆	heptane	heptane
1076	CH(CN)₃	tricyanomethane	mecn3
1077	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1078	C₆H₇N	2-Methylpyridine	mp
1079	C₆H₅NH₂	aniline	aniline
1080	C₆H₁₃N	2-Methylpiperidine	pip2m
1081	C₆H₁₃N	cyclohexanamine	cham
1082	C₆H₁₅N	triethylamine	tea
1083	N₂O₅	Dinitrogen pentoxide	n2o5
1084	C₄H₂O₃	Maleic Anhydride	malan
1085	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1086	C₆H₅O	phenoxy radical	phenoxy
1087	C₅H₅NO	2(1H)-Pyridinone	c72762006
1088	C₅H₅NO	2(3H)-Pyridinone	c9000048
1089	C₅H₅NO	2(5H)-Pyridinone	c9000037
1090	C₅H₅NO	2-Pyridinol	c109104
1091	C₅H₅NO	3(2H)-Pyridinone	c9000004
1092	C₅H₅NO	3(4H)-Pyridinone	c9000026
1093	C₅H₅NO	3(6H)-Pyridinone	c9000015
1094	C₅H₅NO	3-Pyridinol	c109002
1095	C₅H₅NO	4(1H)-Pryidinone	c9000060
1096	C₅H₅NO	4(3H)-Pryidinone	c9000059
1097	C₅H₅NO	4-Pyridinol	c626642
1098	C₆H₅OH	phenol	phenol
1099	C₆H₆O	2,4-Cyclohexadienone	c24599573
1100	C₆H₆O	2,5-Cyclohexadienone	c5664335
1101	C₆H₅SH	Benzenethiol	phsh
1102	HO₂CCHNH₂CH₂OH	Serine	serine
1103	C₅H₈O₂	Acetylacetone	acac
1104	C₄H₈O₂S	Sulfolane	sulfolane
1105	C₇H₁₀	Norbornene	norbornene
1106	CH(C₂H₃)₃	trivinyl methane	tvm
1107	C₆H₁₀O	cyclohexanone	chexo
1108	C₆H₁₂O	hexanal	c6h12o
1109	C₃H₇OC₃H₇	di-n-propyl ether	propr
1110	F₂CCCF₂	tetrafluoroallene	pfa
1111	CF₃COO^-	trifluoro acetate anion	cf3coo-
1112	CF₃COF	trifluoroacetyl fluoride	cf3cof
1113	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1114	PF₆	Hexafluorophosphate neutral	pf6
1115	PF₆^-	Hexafluorophosphate ion	pf6-
1116	SeF₆	Selenium hexafluoride	sef6
1117	SF₅Cl	sulfur chloropentafluoride	sf5cl
1118	CF₃CHF₂	pentafluoroethane	cf3chf2
1119	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1120	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1121	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1122	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1123	C₆H₅F	Fluorobenzene	bzf
1124	C₆H₅Cl	chlorobenzene	bzcl
1125	C₆H₅Br	bromobenzene	bzbr
1126	C₈H₆	Calicene	calicene
1127	C₆H₅CCH	phenylacetylene	phac
1128	C₈H₆	benzocyclobutadiene	bcbd
1129	C₈H₆	Pentalene	pentalene
1130	C₆H₅CHCH₂	Styrene	styrene
1131	C₈H₈	cyclooctatetraene	cot
1132	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1133	CH₃C₆H₄CH₃	meta-xylene	mxylene
1134	CH₃C₆H₄CH₃	paraxylene	pxylene
1135	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1136	C₈H₁₆	cyclooctane	cyclooct
1137	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1138	C₈H₁₈	Octane	c8h18
1139	C₆H₅CN	phenyl cyanide	phcn
1140	C₄O₄^--	squarate dianion	c4o4--
1141	S₄N₄	Tetrasulfur tetranitride	s4n4
1142	S₈	Octasulfur	s8
1143	C₆H₄O₂	parabenzoquinone	pbq
1144	C₄H₄N₂O₂	Uracil	uracil
1145	C₆H₅OCH₃	Anisole	anisole
1146	C₅H₉NO₂	Proline	proline
1147	C₆H₁₂O₂	Methyl pivalate	c598981
1148	C₆H₁₂O₂	Hexanoic acid	hexa
1149	C₄F₄	tetrafluorcyclobutadiene	c4f4
1150	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1151	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1152	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1153	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1154	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1155	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1156	C₂F₆	hexafluoroethane	c2f6
1157	C₂Cl₆	hexachloroethane	c2cl6
1158	IF₇	Iodine heptafluoride	if7
1159	C₆H₄F₂	metadifluorobenzene	mdfb
1160	C₆H₄F₂	orthodifluorobenzene	odfb
1161	C₆H₄F₂	1,4-difluorobenzene	pdfb
1162	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1163	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1164	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1165	C₆H₅NO	nitrosobenzene	bzno
1166	C₉H₈	Indene	indene
1167	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1168	C₉H₁₂	n-propyl benzene	prbz
1169	C₉H₂₀	Nonane	nonane
1170	C(CN)₄	tetracyanomethane	c5n4
1171	C₅H₄N₄	purine	purine
1172	C₈H₇N	Indole	indole
1173	C₃H₃N₃O₃	cyanuric acid	cyanuric
1174	C₆H₅NO₂	Nitrobenzene	c6h5no2
1175	C₆H₅COOH	benzoic acid	benzo
1176	CH₃COC₆H₅	acetophenone	acph
1177	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1178	C₃F₆	hexafluoropropene	c3f6
1179	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1180	C₈H₁₈O	1-Octanol	octanol
1181	C₁₀H₈	Azulene	azu
1182	C₁₀H₈	naphthalene	naph
1183	C₁₀H₁₀	bullvalene	bullv
1184	C₁₀H₁₆	adamantane	adamantane
1185	C₆N₄	Tetracyanoethylene	tcne
1186	C₆N₄^-	tetracyanoethylene anion	tcne-
1187	C₁₀H₂₂	Decane	decane
1188	C₄F₆	perfluorobutadiene	c4f6
1189	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1190	C₃F₈	perfluoropropane	c3f8
1191	Fe(CO)₅	Iron pentacarbonyl	ipc
1192	Fe(C₅H₅)₂	ferrocene	fecp2
1193	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1194	C₁₂H₈	Acenaphthylene	acenaph
1195	C₁₂H₈	biphenylene	biph
1196	C₁₂H₁₀	biphenyl	biphenyl
1197	C₁₂H₁₀	Heptalene	heptalene
1198	C₆H₁₂O₆	Inositol	inositol
1199	C₆F₆	hexafluorobenzene	c6f6
1200	S₂F₁₀	disulphur decafluoride	s2f10
1201	C₁₄H₁₀	Anthracene	anth
1202	C₁₄H₁₀	Phenanthrene	phenanthrene
1203	C₁₄H₁₄	Bibenzyl	bibenzyl
1204	C₁₂H₁₀N₂	azobenzene	azobenzene
1205	C₆H₅COC₆H₅	benzophenone	benzophenone
1206	C₁₆H₁₀	Pyrene	pyrene
1207	C₁₈H₁₂	Tetracene	tetracene
1208	C₁₉H₁₆	Triphenylmethane	tpm
1209	C₂₄H₁₂	Coronene	coronene
1210	C₆₀	Buckminsterfullerene	c60

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities