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

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

count	Species	Name	State	Conformation
1	D	Deuterium atom	¹S	K_h
2	H	Hydrogen atom	¹S	K_h
3	H^-	Hydrogen atom anion	²S	K_h
4	H⁺	Hydrogen atom cation		K_h
5	D₂	Deuterium diatomic	¹Σ_g	D_∞h
6	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
7	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
8	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
9	HD	Deuterium hydride	¹Σ_g	D_∞h
10	He	Helium atom	¹S	K_h
11	He	Helium atom
12	He⁺	Helium atom cation	²S	K_h
13	HeH⁺	Helium hydride cation	¹Σ	C_∞v
14	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
15	Li	Lithium atom	²S	K_h
16	Li^-	Lithium atom anion	¹S	K_h
17	Li⁺	Lithium atom cation	¹S	K_h
18	Na	Sodium atom	²S	K_h
19	Na^-	Sodium atom anion	¹S	K_h
20	Na⁺	Sodium atom cation	¹S	K_h
21	LiH	Lithium Hydride	¹Σ	C_∞v
22	LiH^-	lithium hydride anion	²Σ	C_∞v
23	LiH⁺	lithium hydride cation	²Σ	C_∞v
24	NaH	sodium hydride	¹Σ	C_∞v
25	NaH⁺	sodium hydride cation	²Σ	C_∞v
26	Be	Beryllium atom	¹S	K_h
27	Be^-	Beryllium atom anion	²P	K_h
28	Be⁺	Beryllium atom cation	²S	K_h
29	Mg	Magnesium atom	¹S	K_h
30	Mg^-	Magnesium atom anion	²P	K_h
31	Mg⁺	Magnesium atom cation	²S	K_h
32	BeH	beryllium monohydride	²Σ	C_∞v
33	BeH^-	berylium monohydride anion	¹Σ	C_∞v
34	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
35	MgH	magnesium monohydride	²Σ	C_∞v
36	TiH	Titanium monohydride	⁴Φ	C_∞v
37	ZnH⁺	Zinc, protonated
38	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
39	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
40	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
41	BeH₂⁺	Beryllium dihydride cation
42	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
43	B	Boron atom	²P	K_h
44	B	Boron atom	⁴P	K_h
45	B^-	Boron atom anion	³P	K_h
46	B⁺	Boron atom cation	¹S	K_h
47	Al	Aluminum atom	²P	K_h
48	Al^-	Aluminum atom anion	³P	K_h
49	Al⁺	Aluminum atom cation	¹S	K_h
50	Sc	Scandium atom	²D	K_h
51	Sc⁺	Scandium cation	³D	K_h
52	Ga	Gallium atom	²P
53	Ga^-	Gallium atom anion	³P	O_h
54	Ga⁺	Gallium atom cation	¹S
55	BH	Boron monohydride	¹Σ	C_∞v
56	BH	Boron monohydride	³Π	C_∞v
57	BH^-	boron monohydride anion	²Π	C_∞v
58	BH^-	boron monohydride anion	⁴Σ	C_∞v
59	AlH	aluminum monohydride	¹Σ	C_∞v
60	ScH	Scandium monohydride	¹Σ	C_∞v
61	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
62	GaH	Gallium monohydride	¹Σ	C_∞v
63	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
64	BH₂	boron dihydride	²A₁	C_2v
65	BH₂^-	boron dihydride anion	³B₁	C_2v
66	BH₂^-	boron dihydride anion	¹A₁	C_2v
67	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
68	AlH₂	aluminum dihydride	²A₁	C_2v
69	BH₃	boron trihydride	¹A₁^'	D_3h
70	BH₃⁺	boron trihydride cation	²B₂	C_2v
71	BH₃⁺	boron trihydride cation		C_2v
72	AlH₃	aluminum trihydride	¹A₁^'	D_3h
73	AlH₃^-	aluminum trihydride anion		C_3v
74	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
75	ScH₃	Scandium trihydride	¹A₁^'	D_3h
76	ScH₃	Scandium trihydride	¹A₁	C_3v
77	GaH₃	Gallium trihydride	¹A₁^'	D_3h
78	BH₄	borohydride	²B₂	C_2v
79	BH₄^-	borohydride anion	¹A₁	T_d
80	C	Carbon atom	³P₀	K_h
81	C	Carbon atom	³P₁	K_h
82	C^-	Carbon atom anion	⁴S	K_h
83	C^-	Carbon atom anion	²D	K_h
84	C⁺	Carbon atom cation	²P	K_h
85	Si	Silicon atom	³P	K_h
86	Si	Silicon atom	¹S	K_h
87	Si^-	Silicon atom anion	⁴S	K_h
88	Si⁺	Silicon atom cation	²P	K_h
89	Ge	Germanium atom	³P	K_h
90	Ge^-	Germanium anion	⁴S	K_h
91	Ge⁺	Germanium cation	²P	K_h
92	CH	Methylidyne	²Π_1/2	C_∞v
93	CH^-	methylidyne anion	³Σ	C_∞v
94	CH⁺	Methylidyne cation	¹Σ	C_∞v
95	SiH	Silylidyne	²Π	C_∞v
96	SiH^-	silicon monohydride anion	³Σ	C_∞v
97	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
98	GeH	germylidene	²Π	C_∞v
99	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
100	CH₂	Methylene	³B₁	C_2v
101	CH₂	Methylene	³Σ_G	D_∞h
102	CH₂	Methylene	¹A₁	C_2v
103	CH₂^-	methylene anion	²B₁	C_2v
104	CH₂⁺	methylene cation	²A₁	C_2v
105	CH₂⁺	methylene cation	²Π	D_∞h
106	SiH₂	silicon dihydride	¹A₁	C_2v
107	SiH₂	silicon dihydride	³B₁	C_2v
108	GeH₂	germylene	¹A₁	C_2v
109	GeH₂^-	germylene anion	²B₁	C_2v
110	CH₃	Methyl radical	²A₁	D_3h
111	CH₃^-	methyl anion	¹A₁	C_3v
112	CH₃⁺	methyl cation	¹A₁^'	D_3h
113	SiH₃	Silyl radical	²A₁	C_3v
114	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
115	GeH₃	Germyl radical	²A₁	C_3v
116	GeH₃⁺	germyl cation	¹A₁^'	D_3h
117	CD₄	methane-d4	¹A₁	T_d
118	CH₂D₂	methane-d2	¹A₁	C_2v
119	CH₃D	methane-d	¹A₁	C_3v
120	CH₄	Methane	¹A₁	T_d
121	CH₄^-	Methane anion	²A₁	T_d
122	CH₄^-	Methane anion	²A₁	C_3v
123	CHD₃	methane-d3	¹A₁	C_3v
124	SiH₂D₂	silane-d2
125	SiH₄	Silane	¹A₁	T_d
126	GeH₄	Germane	¹A₁	T_d
127	SiH₅⁺	Silane, protonated
128	N	Nitrogen atom	⁴S	K_h
129	N^-	Nitrogen atom anion	³S	K_h
130	N⁺	Nitrogen atom cation	³P	K_h
131	P	Phosphorus atom	⁴S	K_h
132	P^-	Phosphorus atom anion	³P	K_h
133	P⁺	Phosphorus atom cation	³P	K_h
134	V	Vanadium atom	⁴F	K_h
135	V⁺	Vanadium atom cation	⁵D	K_h
136	As	Arsenic atomic	⁴S	K_h
137	As^-	Arsenic anion	³P	K_h
138	As⁺	Arsenic cation	³P	K_h
139	NH	Imidogen	³Σ^-	C_∞v
140	NH	Imidogen	¹Σ⁺	C_∞v
141	NH^-	Imidogen anion	²Π	C_∞v
142	NH⁺	imidogen cation	²Π	C_∞v
143	PH	phosphorus monohydride	³Σ^-	C_∞v
144	PH	phosphorus monohydride	¹Δ	C_∞v
145	AsH	Arsenic monohydride	³Σ	C_∞v
146	AsH	Arsenic monohydride	¹Σ	C_∞v
147	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
148	ND₂	Amidogen-d2	²B₁	C_2v
149	NH₂	Amino radical	²B₁	C_2v
150	NH₂⁺	Amino cation	³B₁	C_2v
151	NH₂⁺	Amino cation	¹A₁	C_2v
152	PH₂	Phosphino radical	²B₁	C_2v
153	AsH₂	Arsenic dihydride	²A₁	C_2v
154	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
155	ND₃	Ammonia-d3	¹A₁	C_3v
156	NH₃	Ammonia	¹A₁	C_3v
157	NH₃^-	Ammonia anion	²A₁	C_3v
158	NH₃⁺	ammonia cation	²A₂^"	D_3h
159	PH₃	Phosphine	¹A₁	C_3v
160	PH₃⁺	Phosphine cation	²A₁	C_3v
161	AsH₃	Arsine	¹A₁	C_3v
162	AsH₃⁺	Arsine cation	²A₁	C_3v
163	AsH₄⁺	Arsonium
164	NH₄	Ammonium radical
165	NH₄⁺	ammonium cation	¹A₁	T_d
166	PH₄	Phosphoranyl radical
167	PH₄⁺	phosphonium cation
168	O	Oxygen atom	³S	K_h
169	O^-	Oxygen atom anion	²P	K_h
170	O⁺	Oxygen atom cation	⁴S	K_h
171	S	Sulfur atom	³P	K_h
172	S	Sulfur atom
173	S^-	Sulfur atom anion	²P	K_h
174	S⁺	Sulfur atom cation	⁴S	K_h
175	Se	Selenium atom	³P	K_h
176	Se^-	Selenium atom anion	²P	K_h
177	Se⁺	Selenium atom cation	⁴S	K_h
178	DO	Hydroxyl-d	²Π	C_∞v
179	OH	Hydroxyl radical	²Π	C_∞v
180	OH^-	hydroxide anion	¹Σ	C_∞v
181	OH⁺	hydoxyl cation	³Σ	C_∞v
182	OH⁺	hydoxyl cation	¹Σ	C_∞v
183	DS	Mercapto-d	²Π	C_∞v
184	HS	Mercapto radical	²Π	C_∞v
185	HS^-	mercapto anion	¹Σ	C_∞v
186	HS⁺	sulfur monohydride cation	³Σ	C_∞v
187	CrH	Chromium hydride	⁶Σ	C_∞v
188	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
189	HSe	Selenium monohydride	²Π	C_∞v
190	HSe^-	selenium monohydride anion	¹Σ	C_∞v
191	HSe⁺	selenium monohydride cation	³Σ	C_∞v
192	HSe⁺	selenium monohydride cation	¹Σ	C_∞v
193	D₂O	Deuterium oxide	¹A₁	C_2v
194	H₂O	Water	¹A₁	C_2v
195	H₂O^-	water anion	²A₁	C_2v
196	H₂O^-	water anion	²A^'	C_s
197	H₂O⁺	water cation	²B₁	C_2v
198	HDO	Water-d1	¹A₁	C_2v
199	D₂S	Hydrogen sulfide-d2	¹A₁	C_2v
200	H₂S	Hydrogen sulfide	¹A₁	C_2v
201	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
202	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
203	H₂Se	Hydrogen selenide	¹A₁	C_2v
204	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
205	H₃O⁺	hydronium cation	¹A₁	C_3v
206	H₃S⁺	Sulfonium cation	¹A₁	C_3v
207	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
208	F	Fluorine atom	²P	K_h
209	F^-	Fluorine atom anion	¹S	K_h
210	F⁺	Fluorine atom cation	³S	K_h
211	F⁺	Fluorine atom cation	¹D	K_h
212	Cl	Chlorine atom	²P	K_h
213	Cl^-	Chlorine atom anion	¹S	K_h
214	Cl⁺	Chlorine atom cation	³P	K_h
215	Cl⁺	Chlorine atom cation	¹D	K_h
216	Br	Bromine atom	²P	K_h
217	Br^-	Bromine atom anion	¹S	K_h
218	Br⁺	Bromine atom cation	³P	K_h
219	DF	Hydrofluoric acid-d	¹Σ	C_∞v
220	HF	Hydrogen fluoride	¹Σ	C_∞v
221	HF^-	hydrogen fluoride anion	²Σ	C_∞v
222	HF⁺	hydrogen fluoride cation	²Π	C_∞v
223	DCl	Hydrochloric acid-d	¹Σ	C_∞v
224	HCl	Hydrogen chloride	¹Σ	C_∞v
225	HCl^-	hydrogen chloride anion	²Σ	C_∞v
226	HCl⁺	hydrogen chloride cation	²Π	C_∞v
227	HBr	hydrogen bromide	¹Σ	C_∞v
228	HBr^-	hydrogen bromide anion	²Σ	C_∞v
229	HBr⁺	hydrogen bromide cation	²Π	C_∞v
230	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
231	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
232	Ne	Neon atom	¹S	K_h
233	Ne	Neon atom
234	Ne^-	Neon atom anion	²S	K_h
235	Ne⁺	Neon atom cation	²P	K_h
236	Ar	Argon atom	¹S	K_h
237	Ar^-	Argon atom anion	²S	K_h
238	Ar⁺	Argon atom cation	²P	K_h
239	Kr	Krypton atom	¹S	K_h
240	Kr⁺	Krypton cation	²P	K_h
241	HeLi⁺	Helium Lithium cation
242	NeH	neon hydrogen	²Σ	C_∞v
243	NeH⁺	neon hydrogen cation	¹Σ	C_∞v
244	ArH⁺	Argon hydride cation	¹Σ	C_∞v
245	KrH⁺	Protonated Krypton	¹Σ	C_∞v
246	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
247	Li₂	Lithium diatomic	¹Σ_g	D_∞v
248	NaLi	lithium sodium	¹Σ	C_∞v
249	Na₂	Sodium diatomic	¹Σ_g	D_∞h
250	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
251	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
252	LiBe	Lithium Beryllium	²Σ	C_∞v
253	LiMg	Lithium magnesium	²Σ	C_∞v
254	NaBe	Sodium Beryllium	²Σ	C_∞v
255	NaMg	Sodium Magnesium	²Σ	C_∞v
256	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
257	Be₂	Beryllium diatomic	³Π_g	D_∞h
258	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
259	BeMg	Beryllium Magnesium	¹Σ	C_∞v
260	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
261	LiB	Lithium boride	³Π	C_∞v
262	LiAl	Lithium Aluminum
263	NaAl	Sodium aluminum	¹Σ	C_∞v
264	BeB	Beryllium monoboride	²Π	C_∞v
265	B₂	Boron diatomic	³Σ_g	D_∞h
266	B₂	Boron diatomic	¹Σ_g	D_∞h
267	B₂	Boron diatomic	⁵Σ_u	D_∞h
268	B₂⁺	Boron diatomic cation	²Π	D_∞h
269	BAl	Boron Aluminum	³Σ	C_∞v
270	Al₂	Aluminum diatomic	³Σ_g	D_∞h
271	Al₂	Aluminum diatomic	¹Σ_g	D_∞h
272	BGa	Boron Gallium	³Σ	C_∞v
273	AlGa	Aluminum Gallium	³Σ	C_∞v
274	AlGa	Aluminum Gallium	¹Σ	C_∞v
275	Ga₂	Gallium diatomic	³P_iu
276	HBBH	Diborane(2)	³Σ_G	D_∞h
277	LiBH₄	Lithium borohydride	¹A₁	C_3v
278	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
279	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
280	B₂H₆	Diborane	¹A_g	D_2h
281	B₂H₆⁺	Diborane cation
282	Al₂H₆	dialane	¹A_G	D_2h
283	Ga₂H₆	digallane	¹A_G	D_2h
284	LiC	Lithium Carbide	⁴Σ	C_∞v
285	BeC	Beryllium Carbide	³Σ^-	C_∞v
286	BeC	Beryllium Carbide
287	BC	boron monocarbide	⁴Σ^-	C_∞v
288	BC^-	boron monocarbide anion	¹Σ_g⁺	C_∞v
289	BC⁺	boron monocarbide cation	¹Σ	C_∞v
290	AlC	Aluminum carbide	⁴Σ	C_∞v
291	BSi	Boron silicide	⁴Σ	C_∞v
292	BSi	Boron silicide	²Σ	C_∞v
293	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
294	C₂	Carbon diatomic	³Π_u	D_∞h
295	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
296	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
297	SiC	silicon monocarbide	³Σ	C_∞v
298	SiC	silicon monocarbide	¹Σ	C_∞v
299	Si₂	Silicon diatomic	³Σ_g	D_∞h
300	Si₂	Silicon diatomic	¹Σ_g	D_∞h
301	GeC	Germanium monocarbide	¹Σ	C_∞v
302	GeC	Germanium monocarbide
303	SiGe	Silicon Germanium
304	Ge₂	Germanium diatomic	³Σ_g	D_∞h
305	C₂H	Ethynyl radical	²Σ	C_∞v
306	C₂H^-	Ethynyl anion	¹Σ	C_∞v
307	C₂H₂	Acetylene	¹Σ_g	D_∞h
308	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
309	C₂H₂⁺	acetylene cation
310	CCH₂	vinylidene	¹A₁	C_2v
311	CCH₂	vinylidene	³B₂	C_2v
312	H₂CC^-	vinylidene anion
313	HCCH^-	acetylene anion
314	HCCH^-	acetylene anion
315	Si₂H₂	disilyne
316	Si₂H₂	disilyne
317	Si₂H₂	disilyne
318	Si₂H₂	disilyne
319	CH₃Li	methyl lithium	¹A₁	C_3v
320	CH₂BH	methyleneborane	¹A₁	C_2v
321	C₂H₃	vinyl	²A^'	C_s
322	C₂H₃^-	vinyl anion	¹A^'	C_s
323	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
324	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
325	C₂H₄	Ethylene	¹A_g	D_2h
326	C₂H₄^-	Ethylene anion	²A_g	C_2h
327	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
328	C₂H₄⁺	Ethylene cation	²B₃	D₂
329	CH₃CH	methylmethylene	³A^"	C_s
330	CH₂SiH₂	silaethylene	¹A₁	C_2v
331	Si₂H₄	Disilene
332	Si₂H₄	Disilene
333	Si₂H₄	Disilene
334	CH₃BH₂	methylborane	¹A^'	C_s
335	C₂H₅	Ethyl radical	²A^'	C_s
336	C₂H₅^-	Ethyl anion	¹A^'	C_s
337	C₂H₅⁺	Ethyl cation	¹A₁	C_2v
338	C₂H₆	Ethane	¹A_1g	D_3d
339	C₂H₆	Ethane	¹A₁^'	D_3h
340	C₂H₆⁺	ethane cation	²B_g	C_2h
341	C₂H₆⁺	ethane cation	²A_g	C_i
342	Si₂H₆	disilane	¹E_u	D_3d
343	GeH₃CH₃	methyl germane	¹A₁	C_3v
344	C₂H₇⁺	Ethane, protonated	¹A	C₂
345	LiN	Lithium Nitride	³Σ	C_∞v
346	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
347	LiP	Lithium monophosphide
348	LiP	Lithium monophosphide
349	BeN	Beryllium mononitride	⁴Σ	C_∞v
350	BeN	Beryllium mononitride	²Π	C_∞v
351	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
352	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
353	MgN	Magnesium Nitride
354	MgN	Magnesium Nitride
355	BP	Boron monophosphide	³Π	C_∞v
356	BP	Boron monophosphide	¹Σ	C_∞v
357	AlP	Aluminum monophosphide	³Σ	C_∞v
358	AlP	Aluminum monophosphide	³Π	C_∞v
359	AlP	Aluminum monophosphide	¹Σ	C_∞v
360	GaN	Gallium mononitride	³Π	C_∞v
361	GaN	Gallium mononitride	¹Σ	C_∞v
362	GaP	Gallium monophosphide	³Σ	C_∞v
363	GaP	Gallium monophosphide	¹Σ	C_∞v
364	GaAs	Gallium arsenide	³Π
365	GaAs	Gallium arsenide	¹Σ
366	BN	boron nitride	³Π	C_∞v
367	BN	boron nitride	¹Σ	C_∞v
368	AlN	Aluminum nitride	³Π_i	C_∞v
369	AlN	Aluminum nitride	¹Σ	C_∞v
370	CN	Cyano radical	²Σ	C_∞v
371	CN^-	cyanide anion	¹Σ	C_∞v
372	CN⁺	Cyano cation	¹Σ	C_∞v
373	CP	Carbon monophosphide	²Σ	C_∞v
374	CP⁺	carbon monophosphide cation	¹Σ	C_∞v
375	SiN	Silicon nitride	²Σ	C_∞v
376	SiP	Silicon monophosphide	²Π	C_∞v
377	SiP⁺	Silicon monophosphide cation	¹Σ	C_∞v
378	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
379	N₂	Nitrogen diatomic
380	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
381	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
382	PN	Phosphorus mononitride	¹Σ	C_∞v
383	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
384	AsN	Arsenic mononitride	¹Σ	C_∞v
385	AsP	Arsenic monophosphide	¹Σ	C_∞v
386	As₂	Arsenic diatomic	¹Σ_g	D_∞h
387	HNB	hydrogen nitrogen boron	²Σ	C_∞v
388	HNC	hydrogen isocyanide	¹Σ	C_∞v
389	HCN	Hydrogen cyanide	¹Σ	C_∞v
390	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
391	HNC⁺	hydrogen isocyanide cation
392	HCP	Phosphaethyne	¹Σ	C_∞v
393	HCP⁺	Phosphaethyne cation
394	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
395	HPO	Hydrogen phosphorus oxide	¹A^'	C_s
396	LiNH₂	lithium amide
397	HBNH	Boranimine	¹Σ	C_∞v
398	CNH₂	Aminomethylidyne radical	²B₂	C_2v
399	CNH₂⁺	N-protonated hydrogen isocyanide	¹A₁	C_2v
400	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
401	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
402	HCNH	methyleneazane	²A^'	CS cis
403	HCNH	methyleneazane	²A^'	CS trans
404	HCNH⁺	N-protonated HCN	¹Σ	C_∞v
405	H₂NN	Isodiazene
406	N₂H₂	(E)-diazene	¹A_g	C_2h
407	N₂H₂	(Z)-Diazene	¹A₁	C_2v
408	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
409	CH₂NH	Methanimine	¹A^'	C_s
410	CH₂NH⁺	Methanimine cation
411	CHNH₂	aminomethylene
412	CHNH₂⁺	Aminocarbene cation
413	CH₂PH	Phosphaethene	¹A^'	C_s
414	BH₂NH₂	Boranamine
415	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
416	N₂H₄	Hydrazine	¹A	C₂
417	N₂H₄⁺	hydrazine cation	²A_G	C_2h
418	CH₃NH₂	methyl amine	¹A^'	C_s
419	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
420	SiH₃NH₂	Silane, amino
421	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
422	BH₃PH₃	borane phosphine
423	BH₃NH₃	borane ammonia	¹A₁	C_3v
424	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
425	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
426	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
427	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
428	N₂H₇⁺	ammonia ammonium dimer
429	LiO	lithium oxide	²Σ	C_∞v
430	LiO⁺	lithium oxide cation	¹Σ	C_∞v
431	LiS	Lithium monosulfide	²Π	C_∞v
432	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
433	NaO	sodium monoxide	²Σ	C_∞v
434	NaS	Sodium sulfide	²Π	C_∞v
435	LiSe	Lithium monoselenide
436	BeO	beryllium oxide	¹Σ	C_∞v
437	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
438	BeS	beryllium sulfide	¹Σ	C_∞v
439	MgO	magnesium oxide	¹Σ⁺	C_∞v
440	MgS	magnesium sulfide	¹Σ	C_∞v
441	ZnS	Zinc sulfide	¹Σ⁺	C_∞v
442	BO	boron monoxide	²Σ	C_∞v
443	AlO	Aluminum monoxide	²Σ	C_∞v
444	BS	boron sulfide	²Σ	C_∞v
445	AlS	Aluminum sulfide	²Σ	C_∞v
446	ScO	Scandium monoxide	²Σ	C_∞v
447	GaO	Gallium monoxide	²Σ	C_∞v
448	GaS	Gallium monosulfide
449	BO⁺	boron monoxide cation	¹Σ	C_∞v
450	CO	Carbon monoxide	¹Σ	C_∞v
451	CO	Carbon monoxide	³Π	C_∞v
452	CO^-	carbon monoxide anion	²Π	C_∞v
453	CO⁺	carbon monoxide cation	²Σ	C_∞v
454	CS	carbon monosulfide	¹Σ	C_∞v
455	SiO	Silicon monoxide	¹Σ	C_∞v
456	SiS	silicon monosulfide	¹Σ	C_∞v
457	TiO	Titanium monoxide	³Δ	C_∞v
458	CSe	Carbon monoselenide	¹Σ	C_∞v
459	GeO	Germanium monoxide	¹Σ	C_∞v
460	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
461	GeS	Germanium monosulfide	¹Σ	C_∞v
462	SiSe	Silicon Monoselenide
463	SiSe⁺	Silicon Monoselenide cation
464	GeSe	Germanium monoselenide
465	NO	Nitric oxide	²Π	C_∞v
466	NO^-	nitric oxide anion	³Σ	C_∞v
467	NO^-	nitric oxide anion	¹Δ	C_∞v
468	NO⁺	nitric oxide cation	¹Σ	C_∞v
469	NS	Mononitrogen monosulfide	²Π	C_∞v
470	NS^-	nitrogen sulfide anion	³Σ	C_∞v
471	PO	Phosphorus monoxide	²Π	C_∞v
472	PS	phosphorus sulfide	²Σ	C_∞v
473	PS^-	phosphorus monosulfide anion	¹Σ	C_∞v
474	VO	Vanadium monoxide	⁴Σ^-
475	AsO	Arsenic monoxide	²Π	C_∞v
476	NSe	Nitrogen monoselenide	²Π	C_∞v
477	AsS	Arsenic monosulfide	²Π	C_∞v
478	PSe	Phosphorus monoselenide	²Π	C_∞v
479	AsSe	Arsenic monoselenide	²Π	C_∞v
480	O₂	Oxygen diatomic	³Σ_g	D_∞h
481	O₂	Oxygen diatomic	¹Δ_g	D_∞h
482	O₂^-	oxygen diatomic anion	²Π	D_∞h
483	O₂^--	dioxygen dianion
484	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
485	SO	Sulfur monoxide	³Σ	C_∞v
486	SO	Sulfur monoxide	¹Σ	C_∞v
487	SO⁺	sulfur monoxide cation	²Π	C_∞v
488	S₂	Sulfur diatomic	³Σ_g	D_∞h
489	S₂	Sulfur diatomic	¹Σ	D_∞h
490	SeO	Selenium monoxide	³Σ	C_∞v
491	SeO	Selenium monoxide	¹?	C_∞v
492	Se₂	Selenium diatomic	³Σ_g	D_∞h
493	Se₂	Selenium diatomic	¹Σ_g⁺	D_∞h
494	LiOH	lithium hydroxide	¹Σ	C_∞v
495	NaOH	sodium hydroxide	¹Σ	C_∞v
496	BeOH	beryllium monohydroxide	²A^'	C_s
497	BeOH	beryllium monohydroxide	²Σ	C_∞v
498	MgOH	magnesium hydroxide	²A^'	C_s
499	HBO	Boron hydride oxide	¹Σ	C_∞v
500	HBS	hydrogen boron sulfide	¹Σ	C_∞v
501	COH	Hydroxymethylidyne
502	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
503	HCO	Formyl radical	²A^'	C_s
504	HCO^-	formyl anion	¹A^'	C_s
505	HCO⁺	Formyl cation	¹Σ	C_∞v
506	HNO	Nitrosyl hydride	¹A^'	C_s
507	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
508	NOH	Hydroxyimidogen	³A^"	C_s
509	NOH⁺	O-protonated nitric oxide	²A^'	C_s
510	HNS	Sulfur imide	¹A^'	C_s
511	HNS^-	Sulfur imide anion	²A	C_s
512	HO₂	Hydroperoxy radical	²A^"	C_s
513	HO₂⁺	Hydroperoxy cation	³A^"	C_s
514	HSO⁺	Sulfur Monoxide, S-protonated
515	SOH	Sulfur Hydroxide
516	SOH⁺	Sulfur Monoxide, protonated
517	HS₂	Thiosulfeno radical	²A^"	C_s
518	H₂CO	Formaldehyde	¹A₁	C_2v
519	H₂CO^-	formaldehyde anion	²A^'	C_s
520	H₂CO^-	formaldehyde anion
521	H₂CO⁺	formaldehyde cation	²B₂	C_2v
522	HOCH	hydroxycarbene	¹A^'	CS trans
523	HOCH	hydroxycarbene	¹A^'	CS cis
524	H₂CS	Thioformaldehyde	¹A₁	C_2v
525	H₂CS^-	thioformaldehyde anion
526	H₂CS^-	thioformaldehyde anion
527	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
528	H₂CSe	Selenoformaldehyde
529	H₂NO	nitroxide	²B₁	C_2v
530	H₂NO	nitroxide	²A^'	C_s
531	H₂O₂	Hydrogen peroxide	¹A	C₂
532	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
533	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
534	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
535	H₂OO	water oxide
536	HOSH	hydrogen thioperoxide
537	H₂S₂	Disulfane	¹A	C₂
538	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
539	H₂Se₂	hydrogen diselenide
540	CH₂OH	Hydroxymethyl radical	²A	C₁
541	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
542	CH₃O^-	methoxy anion	¹A₁	C_3v
543	CH₃O⁺	Methoxy cation	³A₁	C_3v
544	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
545	NH₂OH	hydroxylamine	¹A^'	C_s
546	NH₂OH⁺	Hydroxylamine cation
547	NH₃O	Ammonia Oxide	¹A₁	C_3v
548	H₂POH	Phosphinous acid	¹A₁^'	CS trans
549	H₂POH	Phosphinous acid	¹A₁^'	CS cis
550	H₃PO	Phosphine oxide	¹A₁	C_3v
551	NH₂SH	Thiohydroxylamine
552	NH₂SH	Thiohydroxylamine
553	NH₃S	sulfidoazane
554	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
555	CH₃OH	Methyl alcohol	¹A^'	C_s
556	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
557	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
558	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
559	CH₃OH⁺	Methyl alcohol cation	²A	C₁
560	CH₃SH	Methanethiol	¹A^'	C_s
561	CH₃SH⁺	Methanethiol cation	²A^"	C_s
562	SiH₃OH	silanol
563	NH₂OH₂⁺	protonated hydroxylamine
564	NH₃OH⁺	N-protonated hydroxylamine
565	H₂OH₂O	water dimer	¹A^'	C_s
566	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
567	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
568	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
569	LiF	lithium fluoride	¹Σ	C_∞v
570	LiCl	lithium chloride	¹Σ	C_∞v
571	NaF	sodium fluoride	¹Σ	C_∞v
572	NaF⁺	sodium fluoride cation	²Σ	C_∞v
573	NaCl	Sodium Chloride	¹Σ	C_∞v
574	LiBr	Lithium Bromide	¹Σ	C_∞v
575	NaBr	Sodium Bromide	¹Σ	C_∞v
576	LiF⁺	lithium fluoride cation	²Π	C_∞v
577	BeF	Beryllium monofluoride	²Σ	C_∞v
578	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
579	BeCl	beryllium monochloride	²Σ	C_∞v
580	MgF	Magnesium monofluoride	²Σ	C_∞v
581	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
582	MgCl	magnesium monochloride	²Σ	C_∞v
583	TiCl	Titanium Monochloride	⁴Σ	C_∞v
584	ZnF	Zinc monofluoride	²Σ	C_∞v
585	BF	Boron monofluoride	¹Σ	C_∞v
586	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
587	BCl	boron monochloride	¹Σ	C_∞v
588	AlCl	Aluminum monochloride	¹Σ	C_∞v
589	ScF	Scandium monofluoride	¹Σ	C_∞v
590	BBr	Boron monobromide	¹Σ	C_∞v
591	GaF	Gallium monofluoride	¹Σ	C_∞v
592	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
593	AlBr	Aluminum monobromide
594	GaCl	Gallium monochloride	¹Σ_G	C_∞v
595	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
596	GaBr	Gallium monobromide
597	CF	Fluoromethylidyne	²Π	C_∞v
598	CF^-	carbon monofluoride anion	¹Σ	C_∞v
599	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
600	CCl	carbon monochloride	²Π	C_∞v
601	SiF	silicon monofluoride	²Π	C_∞v
602	SiF^-	silicon monofluoride anion	³Σ	C_∞v
603	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
604	SiCl	Clorosilylidyne	²Π	C_∞v
605	CBr	Carbon monobromide	²Π	C_∞v
606	GeF	Germanium monofluoride	²Π	C_∞v
607	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
608	GeCl	Germanium monochloride	²Π	C_∞v
609	GeCl⁺	Germanium monochloride cation
610	SiBr	Silicon monobromide	²Π	C_∞v
611	SiBr⁺	Silicon monobromide cation
612	NF	nitrogen fluoride	³Σ	C_∞v
613	NF	nitrogen fluoride	¹Σ	C_∞v
614	NCl	nitrogen monochloride	³Σ	C_∞v
615	NCl	nitrogen monochloride	¹Σ	C_∞v
616	PF	phosphorus monofluoride	³Σ	C_∞v
617	PF	phosphorus monofluoride	¹Δ	C_∞v
618	PCl	phosphorus chloride	³Σ	C_∞v
619	PCl	phosphorus chloride	¹Σ	C_∞v
620	AsF	Arsenic monofluoride	³Σ	C_∞v
621	AsF	Arsenic monofluoride	¹Δ	C_∞v
622	NBr	nitrogen monobromide	³Σ^-	C_∞v
623	AsCl	Arsenic monochloride	³Σ	C_∞v
624	PBr	Phosphorus monobromide
625	FO	Oxygen monofluoride	²Π	C_∞v
626	FO^-	flourine oxide anion	¹Σ	C_∞v
627	FO⁺	fluorine monoxide cation	³Σ	C_∞v
628	ClO	Monochlorine monoxide	²Π	C_∞v
629	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
630	ClO⁺	chlorine monoxide cation	¹Σ	C_∞v
631	SF	Monosulfur monofluoride	²Π	C_∞v
632	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
633	SF⁺	sulfur monofluoride cation	¹Σ	C_∞v
634	SCl	sulfur monochloride	²Π	C_∞v
635	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
636	SCl⁺	sulfur monochloride cation	¹Σ	C_∞v
637	BrO	Bromine monoxide	²Π	C_∞v
638	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
639	BrO⁺	Bromine monoxide cation
640	SeF	Selenium monofluoride	²Π	C_∞v
641	SBr	Sulfur monobromide radical
642	SBr⁺	Sulfur monobromide cation
643	SeCl	Selenium monochloride	²Π	C_∞v
644	SeBr	Selenium monobromide
645	BrCl	Bromine monochloride	¹Σ	C_∞v
646	F₂	Fluorine diatomic	¹Σ_g	D_∞h
647	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
648	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
649	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
650	ClF⁺	clorine monofluoride cation	²Π	C_∞v
651	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
652	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
653	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
654	BrF	Bromine monofluoride	¹Σ	C_∞v
655	Br₂	Bromine diatomic	¹Σ_g	D_∞h
656	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
657	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
658	HCF	Fluoromethylene	¹A^'	C_s
659	HCF	Fluoromethylene	³A^"	C_s
660	HCCl	Chloromethylene	¹A^'	C_s
661	HCCl	Chloromethylene	³A^"	C_s
662	HSiF	fluorosilylene
663	HSiCl	Chlorosilylene
664	HSiBr	monobromosilylene
665	CHBr	bromomethylene	¹A^'	C_s
666	CHBr	bromomethylene	³A^"	C_s
667	HOF	Hypofluorous acid	¹A^'	C_s
668	DOCl	Hypochlorous acid-d	¹A^'	C_s
669	HOCl	hypochlorous acid	¹A^'	C_s
670	HOCl⁺	hypochlorous acid cation
671	HOBr	Hypobromous acid	¹A^'	C_s
672	HOBr⁺	Hypobromous acid cation	²A^"	C_s
673	F₂H⁺	Fluorine, protonated	¹A^'	C_s
674	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
675	ClFH⁺	Chlorine fluoride, F-protonated
676	FClH⁺	Chlorine fluoride, Cl-protonated
677	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
678	CH₂Br	bromomethyl radical	²A^'	C_s
679	CH₂Br	bromomethyl radical
680	CH₂F	fluoromethyl radical	²A	C_s
681	CH₂F⁺	fluoromethyl cation
682	CH₂Cl⁺	chloromethyl cation
683	CH₂Cl	chloromethyl radical	²A^'	C_s
684	CH₂Cl	chloromethyl radical	²B₁	C_2v
685	NH₂Cl	chloramine	¹A^'	C_s
686	H₂F₂	Hydrogen fluoride dimer	¹A_g	C_s
687	CH₃F⁺	methyl fluoride cation
688	CD₃F	methylfluoride-d3	¹A₁	C_3v
689	CH₃F	Methyl fluoride	¹A₁	C_3v
690	CD₃Cl	methyl chloride d3	¹A₁	C_3v
691	CH₃Cl	Methyl chloride	¹A₁	C_3v
692	CH₃Cl⁺	Methyl chloride cation
693	SiH₃F	monofluorosilane	¹A₁	C_3v
694	SiH₃Cl	chlorosilane	¹A₁	C₁
695	CH₃Br	methyl bromide	¹A₁	C_3v
696	GeH₃F	monofluorogermane
697	GeH₃Cl	monochlorogermane
698	SiH₃Br	bromosilane	¹A₁	C_3v
699	NH₃Cl⁺	protonated monochloroammonia
700	CH₃ClH⁺	methyl chloride, protonated
701	NH₄Cl	Ammonium chloride
702	LiNe⁺	Lithium Neon cation
703	Ne₂	Neon diatomic	¹Σ_g	D_∞h
704	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
705	Ar₂	Argon diatomic	¹S_g	D_∞h
706	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
707	Li₃	Lithium trimer	²B₂	C_2v
708	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
709	C₃	carbon trimer	¹Σ_g	D_∞h
710	C₃	carbon trimer	¹A₁	C_2v
711	SiC₂	Silicon dicarbide
712	C₃H₃	cyclopropenyl radical	²A^'	C_s
713	C₃H₄	cyclopropene	¹A₁	C_2v
714	CH₂CCH₂	allene	¹A₁	D_2d
715	CH₃CCH	propyne	¹A^'	C_3v
716	C₃H₅	Allyl radical	²A₂	C_2v
717	C₃H₅	Allyl radical	²A^"	C_s
718	C₃H₅⁺	Allyl cation	¹A₁	C_2v
719	CH₃CHCH	1-propenyl radical	²A^'	C_s
720	C₃H₆	Cyclopropane	¹A₁^'	D_3h
721	CH₂CHCH₃	Propene	¹A^'	C_s
722	C₃H₇	n-Propyl radical	²A^"	C₁
723	C₃H₇⁺	cyclopropane, protonated
724	CH₃CHCH₃	Isopropyl radical	²A	C₂
725	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
726	C₃H₈	Propane	¹A₁	C_2v
727	Si₃H₈	trisilane
728	LiCN	lithium cyanide	¹Σ	C*V LiCN
729	LiCN	lithium cyanide	¹A^'	C_s
730	LiCN	lithium cyanide	¹Σ	C*V LiNC
731	NaCN	Sodium Cyanide	¹Σ	C_∞v
732	NaCN	Sodium Cyanide	¹A	C_s
733	NaCN	Sodium Cyanide	¹Σ	C_∞v
734	ZnCN	Zinc monocyanide	²Σ	C_∞v
735	ZnNC	Zinc isocyanide	²Σ	C_∞v
736	AlCN	Aluminum monocyanide
737	AlNC	Aluminum isocyanide
738	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
739	CNN	Diazocarbene
740	NCN	Cyanoimidogen	³Σ_g	D_∞h
741	NCN	Cyanoimidogen	¹Σ_g	D_∞h
742	N₃	azide radical	²Π_g	D_∞h
743	N₃⁺	azide cation	³Σ_g	D_∞h
744	N₃⁺	azide cation	³Σ	C_∞v
745	HCCN	cyanomethylene	³A^"	C_s
746	HCCN	cyanomethylene	³Σ	C_∞v
747	HCCN	cyanomethylene
748	HN₃	hydrogen azide	¹A^'	C_s
749	HN₃⁺	Hydrazoic acid cation
750	HNCNH	diiminomethane	¹A	C₂
751	NH₂CN	cyanamide	¹A₁	C_2v
752	HNNNH⁺	1,2-Triazadienium
753	NH₂NN⁺	hydrazoic acid, protonated
754	CH₃CN	Acetonitrile	¹A₁	C_3v
755	CH₃CN^-	acetonitrile anion	²E	C_3v
756	CH₃CN^-	acetonitrile anion	²A^'	C_s
757	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
758	CHNCH₂	2H-Azirine
759	CHNHCH	1H-Azirine
760	H₂CCNH	Ethenimine
761	H₂CNCH	methyleneaminomethylene
762	HCCNH₂	Ethynamine
763	HCNCH₂⁺	2H-Azirine cation
764	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
765	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
766	NH₂CNH⁺	cyanamide, cn protonated
767	NH₃CN⁺	cyanamide, amine protonated
768	CH₂CHNH	vinylazine	²A^"	CS cis
769	CH₂CHNH	vinylazine	²A^"	CS trans
770	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
771	CH₂CHNH₂	aminoethene	¹A	C₁
772	CH₂NCH₃	N-methylmethanimine	¹A^'	C_s
773	CH₃CHNH	ethanimine	¹A^'	CS NH up
774	CH₃CHNH	ethanimine	¹A^'	CS NH down
775	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
776	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
777	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
778	CH₃CH₂NH₂	Ethylamine
779	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
780	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
781	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
782	Li₂O	dilithium oxide	¹Σ_g	D_∞h
783	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
784	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
785	Li₂S	dilithium sulfide	¹A₁	C_2v
786	Na₂O	disodium monoxide	¹Σ_g	Linear
787	Na₂O	disodium monoxide	¹A₁	C_2v
788	Na₂S	Sodium sulfide
789	Na₂S	Sodium sulfide
790	LiO₂	Lithium dioxide
791	NaO₂	Sodium superoxide
792	CCO	Dicarbon monoxide	³Σ	C_∞v
793	CCO	Dicarbon monoxide	¹Π	C_∞v
794	CNO^-	fulminate	¹Σ	C_∞v
795	NCO	isocyanato radical	²Π	C_∞v
796	NCO^-	cyanate	¹Σ	C_∞v
797	SCN	thiocyanato radical	²Π	C_∞v
798	BO₂	Boron dioxide	²A^'	D_∞h
799	BO₂^-	Boron dioxide anion	¹Σ_g	D_∞h
800	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
801	N₂O	Nitrous oxide	¹Σ	C_∞v
802	N₂O^-	Nitrous oxide anion	²A^'	C_s
803	NNS	Nitrogen sulfide	¹Σ	C_∞v
804	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
805	CO₂	Carbon dioxide	¹Σ_g	D_∞h
806	CO₂^-	Carbon dioxide anion	²A₁	C_2v
807	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
808	OCS	Carbonyl sulfide	¹Σ	C_∞v
809	SiO₂	silicon dioxide	¹Σ_g	D_∞h
810	CS₂	Carbon disulfide	¹Σ_g	D_∞h
811	CS₂^-	Carbon disulfide anion	²A₁	C_2v
812	TiO₂	Titanium dioxide	¹A₁	C_2v
813	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
814	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
815	OCSe	Carbonyl selenide	¹Σ	C_∞v
816	SCSe	Carbon sulfide selenide
817	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
818	CSe₂	Carbon diselenide	¹A₁	D_∞h
819	NO₂	Nitrogen dioxide	²A₁	C_2v
820	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
821	NSO	sulfinyl amidogen
822	PO₂	Phosphorus dioxide	²A₁	C_2v
823	PO₂^-	Phosphorus dioxide anion	¹A₁	C_2v
824	SNO	Nitrogen oxide sulfide
825	AsO₂	Aresenic dioxide	²A₁	C_2v
826	O₃	Ozone	¹A₁	C_s
827	SO₂	Sulfur dioxide	¹A₁	C_2v
828	SSO	Disulfur monoxide	¹A^'	C_s
829	S₃	Sulfur trimer	¹A₁	C_2v
830	S₃	Sulfur trimer
831	S₃^-	Sulfur trimer anion	²B₁	C_2v
832	S₃⁺	Sulfur trimer cation	²B₂	C_2v
833	SeO₂	Selenium dioxide	¹A₁	C_2v
834	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
835	HCCO	ketenyl radical	²Π	C_∞v
836	HCCO	ketenyl radical	²A^"	C_s
837	HCNO	fulminic acid	¹Σ	C_∞v
838	HCNO	fulminic acid	¹A^'	C_s
839	HNCO	Isocyanic acid	¹A^'	C_s
840	HNCS	Isothiocyanic acid
841	HSCN	thiocyanic acid	¹A^'	C_s
842	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
843	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
844	HCOO	formate neutral radical	²A^'	C_s
845	HOCO	Hydrocarboxyl radical	¹A^'	cis
846	HOCO	Hydrocarboxyl radical	¹A^'	trans
847	HNO₂	Nitrous acid	¹A^'	C_s
848	O₃H⁺	protonated ozone	¹A^'	C_s
849	O₃H⁺	protonated ozone
850	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
851	C₂H₂O	Oxirene	¹A₁	C_2v
852	CH₂CO	Ketene	¹A₁	C_2v
853	CH₂CS	Thioketene
854	Be(OH)₂	Beryllium hydroxide
855	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
856	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
857	NH₂NO	Nitrosamide	¹A	C₁
858	H₂COO	Dioxymethyl radical	²A^'	C_s
859	H₂COO⁺	dioxymethyl cation	²A^'	C_s
860	HCOOH	Formic acid	¹A^'	C_s
861	HCOOH	Formic acid
862	H₂O₃	Hydrogen trioxide	¹A	C₂
863	HSSSH	trisulfane	¹A	C₂
864	HSSSH	trisulfane	¹A^'	C_s
865	NaOCH₃	Sodium methoxide	¹A₁	C_3v
866	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
867	BH₃CO	Borane carbonyl	¹A₁	C_3v
868	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
869	CH₂COH⁺	ketene, protonated
870	CH₂NOH	formaldoxime	¹A^'	C_s
871	CH₃NO	nitrosomethane	¹A^'	C_s
872	CHONH₂	formamide	¹A^'	Planar
873	CHONH₂	formamide	¹A	Non-Planar
874	CNOH₃	1,2-oxaziridine	¹A	C₁
875	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
876	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
877	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
878	CHSNH₂	thioformamide
879	NHCHSH	Methanimidothioic acid
880	CH₂OOH	CH2OOH radical	²A	C₁
881	C₂H₄O	Ethylene oxide	¹A₁	C_2v
882	C₂H₄O⁺	ethylene oxide cation
883	CH₃CHO	Acetaldehyde	¹A^'	C_s
884	CH₃CHO⁺	acetaldehyde cation
885	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
886	C₂H₄S	Thiirane	¹A₁	C_2v
887	CH₂CHSH	Ethenethiol
888	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
889	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
890	NH₂CHOH⁺	Formamide, O-protonated
891	CH₂(OH)₂	methanediol	¹A	C₂
892	CH₃SSH	Hydrogen methyl disulfide
893	HSCH₂SH	Methanedithiol
894	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
895	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
896	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
897	CH₃CH₂O	Ethoxy radical	²A^'	C_s
898	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
899	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
900	CH₃OCH₂	methoxymethyl radical	²A	C₁
901	NH₂CH₂OH	aminomethanol
902	CH₃CH₂OH	Ethanol	¹A^'	C_s
903	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
904	CH₃CH₂SH	ethanethiol	¹A^'	C_s
905	CH₃CH₂SH	ethanethiol	¹A	C₁
906	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
907	CH₃SCH₃⁺	dimethyl sulfide cation
908	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
909	CuF₂	Copper difluoride	²Π_g	D_∞h
910	CNF	iso cyanogen fluoride	¹Σ	C_∞v
911	FCN	Cyanogen fluoride	¹Σ	C_∞v
912	ClCN	chlorocyanogen	¹Σ	C_∞v
913	BrCN	Cyanogen bromide	¹Σ	C_∞v
914	FBO	Boron monofluoride monoxide
915	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
916	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
917	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
918	MgCl₂	Magnesium dichloride	¹Σ_g	C_2v
919	BeBr₂	Beryllium bromide
920	FCO	Carbonyl fluoride	²A^'	C_s
921	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
922	ClCO	carbonyl monochloride	²A^'	C_s
923	BF₂	Boron difluoride radical	²A₁	C_2v
924	FNO	Nitrosyl fluoride	¹A^'	C_s
925	ClNO	Nitrosyl chloride	¹A^'	C_s
926	FNS	Thionitrosyl fluoride	¹A^'	C_s
927	FSN	Thiazyl fluoride	¹A^'	C_s
928	OPCl	Phosphorus oxychloride
929	BrNO	Nitrosyl bromide	¹A^'	C_s
930	CF₂	Difluoromethylene	¹A₁	D_∞h
931	CF₂	Difluoromethylene	³B₁	C_2v
932	CFCl	chlorofluoromethylene	¹A^'	C_s
933	SiF₂	Silicon difluoride	¹A₁	C_2v
934	SiF₂	Silicon difluoride	³B₁	C_2v
935	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
936	CCl₂	dichloromethylene	¹A₁	C_2v
937	CCl₂^-	dichloromethylene anion	²B₁	C_2v
938	SiCl₂	Dichlorosilylene	¹A₁	C_2v
939	GeF₂	Germanium difluoride	¹A₁	C_2v
940	GeCl₂	Germanium dichloride	¹A₁	C_2v
941	CBr₂	dibromomethylene	¹A₁	C_2v
942	CBr₂	dibromomethylene	³B₁	C_2v
943	FOO	Dioxygen monofluoride radical	²A^"	C_s
944	FOO⁺	Fluorine dioxide cation
945	ClOO	chloroperoxy radical	²A^"	C_s
946	OClO	Chlorine dioxide	²B₁	D_∞h
947	OClO^-	Chlorine dioxide anion	¹A^'	C_s
948	ClSO	Sulfur chloride oxide	²A^"	C_s
949	ClS₂	Sulfur chloride	²A^"	C_s
950	BrOO	Bromine dioxide
951	OBrO	Bromine dioxide radical	²B₁	C_2v
952	NF₂	Difluoroamino radical	²B₁	C_2v
953	PF₂	Phosphorus difluoride
954	PF₂⁺	Phosphorus difluoride cation
955	FClO	chlorosyl fluoride	¹A^'	C_s
956	F₂O	Difluorine monoxide	¹A₁	C_2v
957	ClOF	Chlorine hypofluorite	¹A^'	C_s
958	SF₂	sulfur difluoride	¹A₁	C_2v
959	SF₂^-	sulfur difluoride anion	²A^'	C_s
960	SF₂^-	sulfur difluoride anion	²Π	D_∞h
961	Cl₂O	Dichlorine monoxide	¹A₁	C_2v
962	SCl₂	Sulfur dichloride	¹A₁	C_2v
963	SeF₂	Selenium difluoride
964	BrOCl	Bromine hypochlorite	¹A^'	C_s
965	SeCl₂	Selenium Dichloride
966	SBr₂	Sulfur dibromide
967	SeBr₂	Selenium dibromide
968	BrOBr	Bromine oxide	¹A₁	C_2v
969	F₃^-	trifluoride anion	¹Σ_g	D_∞h
970	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
971	Br₃^-	tribromide anion
972	SFCl	Sulfur chloride fluoride
973	HCCF	Fluoroacetylene	¹Σ	C_∞v
974	HCCCl	Chloroacetylene	¹Σ	C_∞v
975	HCCBr	bromoacetylene	¹Σ	C_∞v
976	HFCO⁺	formyl fluoride cation	²A^'	C_s
977	COHCl	Formyl chloride	¹A^'	C_s
978	COHBr	Formyl bromide	¹A^'	C_s
979	BHF₂	Difluoroborane	¹A₁	C_2v
980	BHCl₂	Borane, dichloro-	¹A₁	C_2v
981	CHCl₂	dichloromethyl radical	²B₁	C_2v
982	CHCl₂	dichloromethyl radical	²A^'	C_s
983	CHF₂	difluoromethyl radical	²A	C_s
984	CHF₂⁺	difluoromethyl cation
985	CHFCl	Chlorofluoromethyl radical
986	CHFCl⁺	Chlorofluoromethyl cation
987	CHCl₂⁺	dichloromethyl cation
988	CHBr₂	dibromomethyl radical
989	HOClO	Chlorous acid	¹A	C₁
990	NHF₂	difluoramine
991	NHCl₂	dichloroamine
992	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
993	SiH₂F₂	difluorosilane
994	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
995	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
996	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
997	CH₂Br₂	dibromomethane	¹A₁	C_2v
998	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
999	CH₃MgBr	Methyl Magnesium Bromide
1000	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
1001	CH₂FOH	fluoromethanol
1002	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
1003	CHClCH₃	1-chloroethyl radical	²A	C₁
1004	C₂H₅Br	Ethyl bromide	¹A^'	C_s
1005	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
1006	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
1007	C₄	Carbon tetramer	³Σ_g	D_∞h
1008	C₄	Carbon tetramer
1009	C₄H₂	Diacetylene	¹Σ_g	D_∞h
1010	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
1011	C₄H₄	cyclobutadiene	¹A_g	D_2h
1012	C₄H₄	Tetrahedrane
1013	C₄H₆	1-Methylcyclopropene	¹A	C₁
1014	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
1015	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
1016	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
1017	C₄H₈	methylcyclopropane	¹A^'	C_s
1018	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
1019	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
1020	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
1021	Li₃N	trilithium nitride	¹A^'	D_3h
1022	Li₃N	trilithium nitride	¹A₁	C_3v
1023	C₂N₂	Cyanogen	¹Σ_g	D_∞h
1024	P₄	Phosphorus tetramer	¹A₁	T_d
1025	As₄	Arsenic tetramer	¹A₁	T_d
1026	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
1027	H₂CNCN	cyanamide, methylene
1028	HNCCNH	Ethenediimine
1029	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
1030	CH₃N₃	methyl azide	¹A^'	C_s
1031	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
1032	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
1033	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
1034	C₂H₅CN	ethyl cyanide	¹A^'	C_s
1035	CH₅N₃	Guanidine	¹A	C₁
1036	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
1037	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
1038	H₂NCHCHNH₂	diaminoethylene
1039	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
1040	CH₆N₃⁺	guanidinium	¹A₁	D₃
1041	CH₇N₃	triaminomethane
1042	C₄H₈	cyclobutane	¹A₁	D_2d
1043	CH₃NHNHCH₃	dimethyl hydrazine	¹A	C₂
1044	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
1045	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
1046	N(SiH₃)₃	trisilylamine
1047	(CH₃)₃NH⁺	protonated trimethyl amine
1048	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
1049	Na₂O₂	disodium dioxide
1050	C₃O	Tricarbon monoxide	¹Σ	C_∞v
1051	B₂O₂	Diboron dioxide	¹Σ_g	D_∞h
1052	ONNO	NO dimer	¹A_g	trans C2H
1053	ONNO	NO dimer	¹A₁	cis C2V
1054	S₂N₂	Disulfur dinitride	¹A_G	D_2h
1055	CS₃^--	Carbonotrithioate
1056	NO₃	Nitrogen trioxide	²B₂	one long, two short
1057	NO₃^-	nitrate anion	¹A₁^'	D_3h
1058	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
1059	SO₃	Sulfur trioxide	¹A₁^'	D_3h
1060	SO₃^--	Sulfate dianion
1061	SeO₃	selenium trioxide	¹A₁^'	D_3h
1062	S₄	Sulfur tetramer
1063	S₄	Sulfur tetramer
1064	S₄	Sulfur tetramer
1065	HNO₃	Nitric acid	¹A^'	C_s
1066	HSO₃	Hydroxysulfonyl radical	²A	C₁
1067	NH₂NO₂	nitramide	¹A^'	C_s
1068	C₃H₂O	Propadienal
1069	C₃H₂O	Propadienal
1070	C₂H₂O₂	Ethanedial	¹A_g	C_2h
1071	H₂CO₃	Carbonic acid	¹A₁	C_2v
1072	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
1073	H₂SO₃	Sulfurous acid	¹A^'	C_s
1074	CH₃NCO	methylisocyante
1075	HOCH₂CN	cyanomethanol
1076	CH₃NO₂	Methane, nitro-	¹A^'	C_s
1077	NH₂COOH	Carbamic acid	¹A^'	C_s
1078	NH₂COOH	Carbamic acid	¹A	C₁
1079	H₃BO₃	Boric acid	¹A^'	C_3h
1080	H₃AlO₃	Aluminum hydroxide
1081	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
1082	CH₂CHCHO	Acrolein	¹A^'	C_s
1083	CH₂CHCHO	Acrolein
1084	NH₂CONH₂	Urea	¹A	C₂
1085	NH₂CONH₂	Urea	¹A^'	C_s
1086	NH₂CONH₂	Urea	¹A₁	C_2v
1087	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
1088	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
1089	CH₃COCH₂	Acetonyl radical	²A^"	C_s
1090	CH₂C(OH)NH₂	1-amino vinyl alchohol
1091	CH₃C(OH)=NH	Ethaninidic acid
1092	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
1093	HCONHCH₃	N-methylformamide	¹A^'	CS cis
1094	HCONHCH₃	N-methylformamide	¹A^'	CS trans
1095	CH₃CSNH₂	Ethanethioamide
1096	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
1097	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
1098	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
1099	C₃H₅OH	Cyclopropanol	¹A	C₁
1100	C₃H₆O	2-Propen-1-ol	¹A	C₁
1101	C₃H₆O	Acetone enol	¹A^'	C_s
1102	C₃H₆O	Oxetane	¹A₁	C_2v
1103	C₃H₆O	Oxetane	¹A^'	C_s
1104	CH₃CH₂CHO	Propanal	¹A^'	C_s
1105	CH₃COCH₃	Acetone	¹A₁	C_2v
1106	CH₃COCH₃^-	acetone anion	²A^'	C_s
1107	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
1108	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
1109	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
1110	C₃H₇OH	1-Propanol
1111	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
1112	Li₂F₂	Lithium fluoride dimer
1113	Na₂Cl₂	Disodium dichloride	¹A_g	C_2h
1114	C₂F₂	difluoroacetylene	¹Σ_g	D_∞h
1115	C₂Cl₂	dichloroacetylene	¹Σ_g	C_2h
1116	FNO₂	Nitryl fluoride	¹A₁	C_2v
1117	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
1118	ClNO₂	Nitryl chloride	¹A₁	C_2v
1119	ClONO	chlorine nitrite	¹A^'	CS cis
1120	BrONO	Bromine nitrite	¹A^'	CS trans
1121	N₂F₂	(Z)-Difluorodiazene	¹A₁	C_2v
1122	N₂F₂	Dinitrogen difluoride, (E)-	¹A_g	C_2h
1123	CF₂O	Carbonic difluoride	¹A₁	C_2v
1124	CF₂O⁺	Carbonic difluoride cation
1125	COFCl	Carbonic chloride fluoride	¹A^'	C_s
1126	CCl₂O	Phosgene	¹A₁	C_2v
1127	Cl₂CS	Thiophosgene	¹A₁	C_2v
1128	COBr₂	Carbonic dibromide	¹A₁	C_2v
1129	BF₃	Borane, trifluoro-	¹A^'	D_3h
1130	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
1131	BF₃⁺	boron trifluoride cation	²B₂	C_2v
1132	BF₃⁺	boron trifluoride cation
1133	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1134	BClF₂	Chlorodifluoroborane
1135	AlF₂Cl	Aluminum chloride difluoride	¹A₁	C_2v
1136	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
1137	AlFCl₂	Aluminum dichloride fluoride	¹A₁	C_2v
1138	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1139	BCl₃⁺	Boron Trichloride cation
1140	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1141	AlCl₃	Aluminum trichloride	¹A₁^'	D_3h
1142	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1143	BBr₃	Boron tribromide	¹A₁^'	D_3h
1144	CF₃	Trifluoromethyl radical	²A₁	C_3v
1145	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1146	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1147	CF₂Cl	difluorochloromethyl radical
1148	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1149	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1150	CFCl₂	dichlorofluoromethyl radical
1151	SiCl₃	trichlorosilyl radical	²A₁	C_3v
1152	CBr₃	tribromomethyl radical
1153	FOOF	Perfluoroperoxide	¹A	C₂
1154	ClO₂F	Chloryl fluoride	¹A^'	C_s
1155	F₂SO	Thionyl Fluoride	¹A^'	C_s
1156	ClOOCl	Dichlorine dioxide	¹A	C₂
1157	FSSF	Difluorodisulfane	¹A	C₂
1158	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
1159	SOCl₂	thionyl chloride	¹A^'	C_s
1160	SSCl₂	Thiothionyl chloride
1161	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1162	NF₃^-	Nitrogen trifluoride anion	²A	C_s
1163	PF₃	Phosphorus trifluoride	¹A₁	C_3v
1164	NCl₃	nitrogen trichloride	¹A₁	C_3v
1165	AsF₃	Arsenic trifluoride	¹A₁	C_3v
1166	PCl₃	Phosphorus trichloride	¹A₁	C_3v
1167	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1168	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1169	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1170	ClSSCl	Disulfur dichloride	¹A	C₂
1171	SF₃	Sulfur trifluoride	²A^'	C_s
1172	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1173	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1174	BrF₃	Bromine trifluoride	¹A₁	C_2v
1175	HClO₃	Chloric Acid	¹A^'	C_s
1176	HClO₃	Chloric Acid	¹A	C₁
1177	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1178	SiHF₃	trifluorosilane
1179	CDCl₃	trichloromethane-d	¹A₁	C_3v
1180	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1181	CHFClBr	fluorochlorobromomethane	¹A	C₁
1182	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1183	CHBr₂F	dibromofluoromethane
1184	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
1185	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1186	AsF₃H⁺	Arsenic trifluoride, protonated
1187	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1188	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1189	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1190	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1191	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1192	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1193	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1194	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1195	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1196	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1197	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1198	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1199	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1200	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1201	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1202	CH₂CHCH₂F	Allyl Fluoride
1203	CH₂CHCH₂F	Allyl Fluoride
1204	CH₃CHCHF	trans-1-Fluoro-1-propene
1205	CH₂FCH₂OH	2-fluoroethanol
1206	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1207	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1208	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1209	CH₂FCH₂CH₃	1-Fluoropropane
1210	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1211	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A^'	anti
1212	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A	gauche
1213	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1214	B₅H₉	pentaborane9
1215	C₅H₄	pentatetraene
1216	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1217	C₅H₆	Propellane	¹A₁	D_3h
1218	C₅H₇	cyclopentenyl radical	²A₂	C_2v
1219	C₅H₈	1-pentyne	¹A^'	C_s
1220	C₅H₈	Bicyclo[1.1.1]pentane
1221	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1222	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1223	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1224	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1225	C₄H₄N	pyrrolide radical	²A₂	C_2v
1226	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1227	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1228	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1229	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1230	C₄H₅N	Pyrrole	¹A₁	C_2v
1231	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1232	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1233	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1234	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1235	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1236	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1237	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1238	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1239	B₂O₃	diboron trioxide
1240	B₂O₃	diboron trioxide
1241	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1242	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1243	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1244	HOONO₂	peroxy nitric acid	¹A	C₁
1245	HSO₄^-	bisulfate anion	¹A^'	C_s
1246	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1247	CHOCOOH	oxo acetic acid	¹A^'	C_s
1248	CHOOCHO	diformyl ether
1249	H₂SeO₄	Selenic acid	¹A	C₂
1250	C₃H₃NO	Isoxazole	¹A^'	C_s
1251	C₃H₃NO	Oxazole	¹A^'	C_s
1252	C₃H₃NS	Thiazole
1253	H₃PO₄	Phosphoric Acid	¹A	C₃
1254	C₄H₄O	Furan	¹A₁	C₂
1255	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1256	C₄H₄Se	selenophene
1257	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1258	HOCHCCHOH	allenediol	¹A	C₂
1259	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1260	HOCH₂COOH	Hydroxyacetic acid	¹A	C_s
1261	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1262	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1263	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1264	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1265	CH₂CHSCHCH₂	Divinyl sulfide
1266	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1267	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1268	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1269	C₃H₇NO	dimethylformamide	¹A^'	C_s
1270	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1271	C₄H₁₀O	1-Butanol	¹A^'	C_s
1272	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1273	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1274	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1275	C₄H₉SH	1-Butanethiol
1276	BrONO₂	Bromine nitrate	¹A^'	C_s
1277	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1278	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1279	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1280	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1281	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1282	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1283	CCl₄	Carbon tetrachloride	¹A₁	T_d
1284	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
1285	CBrCl₂F	bromodichlorofluoromethane
1286	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1287	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1288	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1289	CBr₂ClF	dibromochlorofluoromethane
1290	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1291	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1292	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1293	GeBr₄	Germanium tetrabromide
1294	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1295	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1296	SeF₄	Selenium tetrafluoride
1297	SCl₄	Sulfur tetrachloride
1298	HClO₄	perchloric acid	¹A	C_s
1299	CF₃OH	trifluoromethanol	¹A^'	C_s
1300	CH₂ClCCCl	1,3-dichloropropyne
1301	CHCl₂CCH	3,3-dichloropropyne
1302	CHCl₂CHO	dichloroacetaldehyde
1303	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1304	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1305	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1306	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1307	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1308	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1309	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1310	CH₂FCH₂CH₂F	1,3-difluoropropane
1311	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1312	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1313	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1314	C₂H₂N₂O	Furazan
1315	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1316	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1317	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1318	C₆H₄	Benzyne	¹A₁	C_2v
1319	C₆H₅^-	phenyl anion	¹A₁	C_2v
1320	C₆H₆	Prismane
1321	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1322	C₆H₆	Benzene	¹A_1g	D_6h
1323	C₆H₆	Benzvalene	¹A₁	C_2v
1324	C₆H₆	Dewar Benzene
1325	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1326	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1327	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1328	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1329	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1330	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1331	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	¹A^'	C_s
1332	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1333	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1334	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1335	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1336	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1337	C₆H₁₂	Cyclohexane	¹A	twist boat
1338	C₆H₁₂	hex-1-ene	¹A^'	C_s
1339	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1340	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1341	C₂H₂N₄	sym-tetrazine	¹A_g	D_2h
1342	B₃N₃H₆	borazine	¹A₁^'	D_3h
1343	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1344	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1345	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1346	C₃H₂O₃	vinylene carbonate
1347	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1348	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1349	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1350	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1351	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1352	C₅H₆O	2H-Pyran
1353	C₅H₆O	2-methylfuran	¹A^'	C_s
1354	C₅H₆O	3-Methylfuran	¹A^'	C_s
1355	C₅H₆O	Pentadienal
1356	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1357	C₄H₆O₂	2,3-Butanedione	¹A_g	C_2h
1358	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1359	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1360	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1361	C₃H₇ONO	Propyl nitrite	¹A	C₁
1362	C₅H₈O	Cyclopentanone	¹A	C₂
1363	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1364	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1365	C₄H₈O₂	1,3-Dioxane	¹A^'	C_s
1366	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1367	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1368	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1369	C₄F₂	difluorobutadiyne
1370	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1371	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1372	C₂ClF₃	Ethene, chlorotrifluoro-
1373	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1374	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1375	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1376	C₂Br₄	tetrabromoethene
1377	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1378	SiF₅^-	silicon pentafluoride anion
1379	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1380	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1381	AsF₅	Arsenic pentafluoride	¹A₁^'	D_3h
1382	SF₅	Sulfur pentafluoride	²A₁	C_4v
1383	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1384	ClF₅	chlorinepentafluoride	¹A₁	C_4v
1385	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1386	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1387	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1388	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1389	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1390	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1391	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1392	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1393	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1394	C₄H₈O₂	Butanoic acid	¹A	C₁
1395	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1396	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1397	C₇H₁₄	cycloheptane	¹A	C₂
1398	CH(CN)₃	tricyanomethane
1399	HN=C=C(CN)₂	Dicyanoketenimine
1400	C₄H₂O₃	Maleic Anhydride	¹A₁	C_2v
1401	C₅H₄O₂	4-Cyclopentene-1,3-dione	¹A₁	C_2v
1402	C₅H₄O₂	furfural	¹A^'	OCCO cis
1403	C₅H₄O₂	furfural	¹A^'	OCCO trans
1404	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1405	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1406	C₅H₈O₂	Acetylacetone	¹A	C₂
1407	C₇H₁₀	Norbornene
1408	C₆H₁₂O	Oxepane
1409	F₂CCCF₂	tetrafluoroallene
1410	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1411	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1412	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1413	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1414	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1415	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1416	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1417	C₈H₆	Calicene	¹A₁	C_2v
1418	C₈H₈	cubane	¹A_1G	O_h
1419	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁	D₃
1420	C₆H₁₂N₂	Triethylenediamine	¹A₁^'	D_3h
1421	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1422	S₄N₄	Tetrasulfur tetranitride
1423	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1424	C₅H₉NO₂	Proline	¹A	C₁
1425	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1426	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1427	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1428	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1429	C₆H₄F₂	orthodifluorobenzene	¹A₁	C_2v
1430	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1431	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1432	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1433	C₆H₄Cl₂	1,4-dichlorobenzene
1434	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1435	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1436	C(CN)₄	tetracyanomethane	¹A₁	T_d
1437	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1438	C₃F₆	hexafluoropropene
1439	C₈H₁₈O	1-Octanol
1440	C₁₀H₈	Azulene	¹A₁	C_2v
1441	C₁₀H₈	naphthalene	¹A_g	D_2h
1442	C₁₀H₁₀	bullvalene
1443	C₁₀H₂₂	Decane	¹A_G	C_2h
1444	C₄F₆	perfluorobutadiene	¹A_g	C_2h
1445	C₄F₆	perfluorobutadiene	¹A	C₂
1446	C₃F₈	perfluoropropane	¹A₁	C_2v
1447	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1448	C₁₂H₈	biphenylene	¹A_g	D_2h
1449	S₂F₁₀	disulphur decafluoride
1450	C₁₃H₁₀	Fluorene
1451	C₁₄H₁₄	Bibenzyl	¹A	C₂
1452	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1453	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1454	C₁₉H₁₆	Triphenylmethane	¹A	C₃

Species NOT done yet

count	Species	Name	file name
1	D^-	Deuterium atom anion	d-
2	D⁺	Deuterium atom cation	d+
3	H₃⁺	hydrogen trimer cation	h3+
4	He^-	Helium atom anion	he-
5	HeH	Helium hydride	heh
6	K	Potassium atom	k
7	K^-	Potassium atom anion	k-
8	K⁺	Potassium atom cation	k+
9	Cu	Copper atom	cu
10	Cu^-	Copper atom anion	cu-
11	Cu⁺	Copper atom cation	cu+
12	NaH^-	sodium hydride anion	nah-
13	KH	Potassium hydride	kh
14	KH⁺	Potassium hydrogen cation	kh+
15	CuH	Copper monohydride	cuh
16	Ca	Calcium atom	ca
17	Ca^-	Calcium atom anion	ca-
18	Ca⁺	Calcium atom cation	ca+
19	Zn	Zinc atom	zn
20	Zn^-	Zinc atom anion	zn-
21	Zn⁺	Zinc atom cation	zn+
22	MgH^-	magnesium monohydride anion	mgh-
23	MgH⁺	magnesium monohydride cation	mgh+
24	CaH	Calcium monohydride	cah
25	CaH⁺	Calcium monohydride cation	cah+
26	ZnH	Zinc monohydride	znh
27	CaH₂	Calcium Hydride	cah2
28	ZnH₂	Zinc hydride	znh2
29	BH⁺	boron monohydride cation	bh+
30	AlH^-	aluminum monohydride anion	alh-
31	AlH⁺	aluminum monohydride cation	alh+
32	AlH₂^-	aluminum dihydride anion	alh2-
33	AlH₂⁺	aluminum dihydride cation	alh2+
34	BH₃^-	boron trihydride anion	bh3-
35	AlH₄^-	Aluminum tetrahydride anion	alh4-
36	Ti	Titanium atom	ti
37	Ti^-	Titanium atom anion	ti-
38	Ti⁺	Titanium atom cation	ti+
39	Sn	Tin atom	sn
40	Sn⁺	Tin cation	sn+
41	SiH₂^-	silicon dihydride anion	sih2-
42	SiH₂⁺	silicon dihydride cation	sih2+
43	SiH₃^-	Silyl anion	sih3-
44	CH₄⁺	Methane cation	ch4+
45	SiH₄⁺	Silane cation	sih4+
46	SnH₄	Stannane	snh4
47	Sb	Antimony atom	sb
48	PH^-	phosphorus monohydride anion	ph-
49	PH⁺	phosphorus monohydride cation	ph+
50	SbH	Antimony monohydride	sbh
51	NH₂^-	amino anion	nh2-
52	PH₂^-	Phosphino anion	ph2-
53	PH₂⁺	Phosphino cation	ph2+
54	SbH₃	Stibine	sbh3
55	Cr	Chromium atom	cr
56	Te	Tellurium atom	te
57	Te⁺	Tellurium atom cation	te+
58	TeH	Telluryl radical	teh
59	H₂Te	Hydrogen Telluride	h2te
60	Mn	Manganese atom	mn
61	I	Iodine atom	iodine
62	I^-	Iodine atom anion	iodine-
63	I⁺	Iodine atom cation	iodine+
64	HI	Hydrogen iodide	hi
65	HI⁺	Hydrogen iodide cation	hi+
66	H₂F⁺	dihydrogen fluoride cation	h2f+
67	H₂I⁺	Iodonium	h2i+
68	Fe	Iron atom	fe
69	Xe	Xenon atom	xe
70	XeH⁺	Xenon, protonated	xeh+
71	Co	Cobalt atom	cobalt
72	Ni	Nickel atom	ni
73	Li₂^-	lithium diatomic anion	li2-
74	Li₂⁺	lithium diatomic cation	li2+
75	NaLi^-	lithium sodium anion	lina-
76	NaLi⁺	lithium sodium cation	lina+
77	LiK	Lithium Potassium	lik
78	NaK	Sodium Potassium	nak
79	NaK⁺	Sodium Potassium diatomic cation	nak+
80	K₂	Potassium diatomic	k2
81	Cu₂	Copper diatomic	cu2
82	Be₂^-	Beryllium diatomic anion	be2-
83	Mg₂^-	magnesium diatomic anion	mg2-
84	Mg₂⁺	magnesium diatomic cation	mg2+
85	Ca₂	Calcium diatomic	ca2
86	B₂^-	Boron diatomic anion	b2-
87	Al₂^-	aluminum diatomic anion	al2-
88	Al₂⁺	aluminum diatomic cation	al2+
89	CaC	Calcium monocarbide	cac
90	BC^-	boron monocarbide anion	bc-
91	BC⁺	boron monocarbide cation	bc+
92	SiC^-	silicon monocarbide anion	sic-
93	SiC⁺	silicon monocarbide cation	sic+
94	Si₂^-	silcon diatomic anion	si2-
95	Si₂⁺	silcon diatomic cation	si2+
96	C₂H⁺	Ethynyl cation	c2h+
97	ZnCH₂	Zinc methylene	znch2
98	CuCH₃	monomethyl copper	cuch3
99	ZnCH₃	Zinc monomethyl	znch3
100	CH₃SiH₃	methyl silane	ch3sih3
101	BeN^-	Beryllium mononitride anion	ben-
102	BN^-	boron nitride anion	bn-
103	AlN^-	aluminum mononitride anion	aln-
104	AlN⁺	aluminum mononitride cation	aln+
105	BN⁺	boron nitride cation	bn+
106	CP^-	carbon monophosphide anion	cp-
107	CP⁺	carbon monophosphide cation	cp+
108	SiN^-	silicon mononitride anion	sin-
109	SiN⁺	silicon mononitride cation	sin+
110	SiP^-	Silicon monophosphide anion	sip-
111	SiP⁺	Silicon monophosphide cation	sip+
112	TiN	Titanium mononitride	tin
113	PN^-	phosphorus nitride anion	pn-
114	PN⁺	phosphorus nitride cation	pn+
115	P₂^-	phosphorus diatomic anion	p2-
116	P₂⁺	phosphorus diatomic cation	p2+
117	SbN	Antimony nitride	sbn
118	HCN^-	Hydrogen cyanide anion	hcn-
119	NNH	Dinitrogen monohydride	nnh
120	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
121	P₂H₄	Diphosphine	p2h4
122	CH₃PH₂	Methyl phosphine	ch3ph2
123	CH₃NH₃⁺	protonated methylamine	ch3nh3+
124	LiO^-	lithium oxide anion	lio-
125	LiO⁺	lithium oxide cation	lio+
126	NaO^-	sodium oxide anion	nao-
127	NaO⁺	sodium oxide cation	nao+
128	KO	Potassium monoxide	ko
129	KO⁺	Potassium monoxide cation	ko+
130	CuO	Copper Monoxide	cuo
131	BeO^-	Beryllium monoxide anion	beo-
132	MgO^-	magnesium oxide anion	mgo-
133	MgO⁺	magnesium oxide cation	mgo+
134	CaO	Calcium monoxide	cao
135	MgS^-	magnesium sulfide anion	mgs-
136	MgS⁺	magnesium sulfide cation	mgs+
137	CaS	Calcium sulfide	cas
138	ZnO	zinc monoxide	zno
139	BeS^-	Beryllium monosulfide anion	bes-
140	BeS⁺	Beryllium monosulfide cation	bes+
141	BO^-	boron monoxide anion	bo-
142	AlO^-	Aluminum monoxide anion	alo-
143	AlO⁺	aluminum monoxide cation	alo+
144	BS^-	boron monosulfide anion	bs-
145	BS⁺	boron monosulfide cation	bs+
146	AlS^-	aluminum monosulfide anion	als-
147	AlS⁺	aluminum monosulfide cation	als+
148	CS^-	carbon monosulfide anion	cs-
149	CS⁺	carbon monosulfide cation	cs+
150	SiO^-	silicon monoxide anion	sio-
151	SiO⁺	silicon monoxide cation	sio+
152	SiS^-	silicon monosulfide anion	sis-
153	SiS⁺	silicon monosulfide cation	sis+
154	CSe^-	Carbon monoselenide anion	cse-
155	CSe⁺	Carbon monoselenide cation	cse+
156	NS⁺	nitrogen sulfide cation	ns+
157	PO^-	phosphorus monoxide anion	po-
158	PO⁺	phosphorus monoxide cation	po+
159	PS^-	phosphorus monosulfide anion	ps-
160	PS⁺	phosphorus monosulfide cation	ps+
161	SO^-	sulfur monoxide anion	so-
162	S₂^-	sulfur diatomic anion	s2-
163	S₂⁺	sulfur diatomic cation	s2+
164	SeO^-	selenium monoxide anion	seo-
165	SeO⁺	selenium monoxide cation	seo+
166	SeS	Selenium monosulfide	ses
167	SeS^-	selenium monosulfide anion	ses-
168	SeS⁺	selenium monosulfide cation	ses+
169	TeO	Tellurium monoxide	teo
170	Se₂^-	selenium diatomic anion	se2-
171	Se₂⁺	selenium diatomic cation	se2+
172	Te₂	Tellurium diatomic	te2
173	KOH	Potassium hydroxide	koh
174	CaOH	Calcium monohydroxide	caoh
175	HCS	Thioformyl radical	hcs
176	HCS^-	Thioformyl anion	hcs-
177	HCS⁺	Thioformyl cation	hcs+
178	HNO^-	Nitrosyl hydride anion	hno-
179	HO₂^-	Hydroperoxy anion	ho2-
180	CH₃O	Methoxy radical	ch3o
181	CH₃S	thiomethoxy	ch3s
182	CH₃SeH	Methane selenol	ch3seh
183	H₂ONH₃	Water Ammonia Dimer	h2onh3
184	LiCl^-	lithium chloride anion	licl-
185	LiCl⁺	lithium chloride cation	licl+
186	NaF^-	sodium fluoride anion	naf-
187	KF	Potassium Fluoride	kf
188	NaCl^-	sodium chloride anion	nacl-
189	NaCl⁺	sodium chloride cation	nacl+
190	KCl	Potassium Chloride	kcl
191	CuF	Copper monofluoride	cuf
192	LiBr^-	lithium bromide anion	libr-
193	LiBr⁺	lithium bromide cation	libr+
194	CuCl	Copper monochloride	cucl
195	NaBr^-	sodium bromide anion	nabr-
196	NaBr⁺	sodium bromide cation	nabr+
197	KBr	Potassium Bromide	kbr
198	LiI	Lithium Iodide	lii
199	NaI	Sodium Iodide	nai
200	KI	Potassium Iodide	ki
201	LiF^-	lithium fluoride anion	lif-
202	BeF⁺	Beryllium monofluoride cation	bef+
203	MgF^-	magnesium fluoride anion	mgf-
204	CaF	Calcium monofluoride	caf
205	MgCl^-	magnesium monochloride anion	mgcl-
206	MgCl⁺	magnesium monochloride cation	mgcl+
207	CaCl	calcium monochloride	cacl
208	ZnF^-	Zinc monofluoride anion	znf-
209	ZnF⁺	Zinc monofluoride cation	znf+
210	ZnCl	Zinc monochloride	zncl
211	CaBr	Calcium monobromide	cabr
212	BeCl^-	beryllium monochloride anion	becl-
213	BeCl⁺	beryllium monochloride cation	becl+
214	BF^-	Boron monofluoride anion	bf-
215	BF⁺	Boron monofluoride cation	bf+
216	AlF^-	Aluminum monofluoride anion	alf-
217	AlF⁺	Aluminum monofluoride cation	alf+
218	BCl^-	boron monochloride anion	bcl-
219	BCl⁺	boron monochloride cation	bcl+
220	AlCl^-	aluminum monochloride anion	alcl-
221	AlCl⁺	aluminum monochloride cation	alcl+
222	AlI	Aluminum monoiodide	ali
223	CF^-	carbon monofluoride anion	cf-
224	CCl^-	carbon monochloride anion	ccl-
225	CCl⁺	carbon monochloride cation	ccl+
226	SiCl^-	silicon monochloride anion	sicl-
227	SiCl⁺	silicon monochloride cation	sicl+
228	NF^-	nitrogen monofluorine anion	nf-
229	NF⁺	nitrogen monofluoirde cation	nf+
230	NCl^-	nitrogen monochloride anion	ncl-
231	NCl⁺	nitrogen monochloride cation	ncl+
232	PF^-	phosphorus monofluoride anion	pf-
233	PF⁺	phosphorus monofluoride cation	pf+
234	PCl^-	phosphorus monochloride anion	pcl-
235	PCl⁺	phosphorus monochloride cation	pcl+
236	SbF	Antimony monofluoride	sbf
237	SbCl	Antimony monochloride	sbcl
238	ClO^-	chlorine monoxide anion	clo-
239	SF^-	sulfur monofluoride anion	sf-
240	SCl^-	sulfur monochloride anion	scl-
241	IO	Iodine monoxide	io
242	ClF^-	clorine monofluoride anion	clf-
243	BrF^-	bromine fluoride anion	brf-
244	BrF⁺	bromine fluoride cation	brf+
245	BrCl^-	bromine chloride anion	brcl-
246	BrCl⁺	bromine chloride cation	brcl+
247	IF	Iodine monofluoride	if
248	ICl	Iodine monochloride	icl
249	IBr	Iodine monobromide	ibr
250	I₂	Iodine diatomic	i2
251	I₂⁺	Iodine diatomic cation	i2+
252	HOI	Hypoiodous acid	hoi
253	FHF	Hydrogen difluoride	fhf
254	NH₂F	monofluoroamine	nh2f
255	CH₃I	methyl iodide	ch3i
256	SiH₃I	Silyl Iodide	sih3i
257	C₃⁺	carbon trimer cation	c3+
258	C₃H₃	Propargyl radical	propargyl
259	C₃H₃^-	Propargyl anion	c3h3-
260	C₃H₃⁺	cyclopropenyl cation	cpr+
261	C₃H₃⁺	Propargyl cation	c3h3+
262	Zn(CH₃)₂	dimethyl zinc	dmz
263	SiH₂(CH₃)₂	dimethylsilane	dms
264	KCN	Potassium cyanide	kcn
265	CuCN	Copper cyanide	cucn
266	N₃^-	azide anion	n3-
267	HCNN	diazomethyl radical	hcnn
268	CH₂N₂	diazirine	ch2n2
269	CH₂NN	diazomethane	ch2nn
270	CH₃NC	methyl isocyanide	ch3nc
271	NHCHNH₂	aminomethanimine	cn2h4
272	C₂H₅N	Aziridine	c2h5n
273	NH₂BHNH₂	diaminoborane	nh2bhnh2
274	CH₃NHCH₃	Dimethylamine	ch3nhch3
275	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
276	SCN^-	thiocyanide anion	scn-
277	N₂O⁺	Nitrous oxide cation	n2o+
278	OCS⁺	Carbonyl sulfide cation	cos+
279	CS₂⁺	Carbon disulfide cation	cs2+
280	SCTe	Carbon sulfide Telluride	scte
281	NO₂^-	Nitrogen dioxide anion	no2-
282	PO₂⁺	Phosphorus dioxide cation	po2+
283	O₃^-	Ozone anion	o3-
284	O₃⁺	Ozone cation	o3+
285	SO₂^-	Sulfur dioxide anion	so2-
286	SO₂⁺	Sulfur dioxide cation	so2+
287	TeO₂	Tellurium Dioxide	teo2
288	CS₂H⁺	Carbon disulfide, protonated	cs2h+
289	HOCN	cyanic acid	hocn
290	HCO₂^-	formate anion	hco2-
291	HNNO	nitrosoazane	hnno
292	HOCO⁺	Hydrocarboxyl cation	hoco+
293	HNO₂⁺	nitrous acid cation	hno2+
294	CH₂CO⁺	Ketene cation	ch2co+
295	HCCOH	ethynol	hccoh
296	CH₂O₂	Dioxirane	diox
297	CH₂CHO	Vinyloxy radical	ch2cho
298	CH₃CO	Acetyl radical	ch3co
299	CH₃CO^-	Acetyl anion	ch3co-
300	CH₃CO⁺	acetyl cation	ch3co+
301	CH₃OO	methylperoxy radical	ch3oo
302	CH₃OO^-	methylperoxy anion	ch3oo-
303	CH₃OO⁺	methylperoxy cation	ch3oo+
304	CH₂CHOH	ethenol	ch2choh
305	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
306	CH₃OOH	Methyl peroxide	ch3ooh
307	H₂OH₂CO	water formaldehyde dimer	h2oh2co
308	CH₃OHH₂O	methanol water dimer	ch3ohh2o
309	H₂OCH₃OH	water methanol dimer	h2och3oh
310	ZnF₂	Zinc difluoride	znf2
311	ICN	Cyanogen iodide	icn
312	CaCl₂	Calcium Chloride	cacl2
313	ZnCl₂	Zinc dichloride	zncl2
314	CaBr₂	Calcium dibromide	cabr2
315	CaF₂	Calcium difluoride	caf2
316	INO	Nitrosyl iodide	ino
317	CF₂^-	Difluoromethylene anion	cf2-
318	CF₂⁺	Difluoromethylene cation	cf2+
319	CCl₂⁺	dichloromethylene cation	ccl2+
320	ClOO⁺	chloroperoxy cation	cloo+
321	OClO⁺	Chlorine dioxide cation	oclo+
322	NF₂⁺	Difluoroamino cation	nf2+
323	SF₂⁺	sulfur difluoride cation	sf2+
324	I₃^-	triiodide	i3-
325	HCCF⁺	fluoroacetylene cation	hccf+
326	HFCO	formyl fluoride	hfco
327	CH₂FCl	fluorochloromethane	ch2fcl
328	CH₂FI	fluoroiodomethane	ch2fi
329	CH₂ClI	chloroiodomethane	ch2cli
330	CH₂BrI	bromoiodomethane	ch2bri
331	CH₂I₂	Diiodomethane	ch2i2
332	CH₂CHF⁺	fluoroethene cation	ch2chf+
333	C₂H₃Cl	Ethene, chloro-	ch2chcl
334	C₂H₃Br	vinyl bromide	c2h3br
335	C₂H₃I	Vinyl iodide	c2h3i
336	CH₃OCl	methyl hypochlorite	ch3ocl
337	C₂H₅F	fluoroethane	c2h5f
338	CH₃CH₂Cl	Ethyl chloride	c2h5cl
339	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
340	C₂H₅I	Ethyl iodide	c2h5i
341	XeF₂	Xenon difluoride	xef2
342	C₄⁺	Carbon tetramer cation	c4+
343	C₂H₃CCH	1-Buten-3-yne	c2h3cch
344	H₂CCCCH₂	Butatriene	h2cccch2
345	C₄H₆	Cyclobutene	c822355
346	C₄H₆	Methylenecyclopropane	c6142730
347	CH₂CCHCH₃	1,2-Butadiene	butad12
348	CH₃CCCH₃	2-Butyne	c503173
349	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
350	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
351	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
352	B(CH₃)₃	trimethylborane	bme3
353	Al(CH₃)₃	trimethyl aluminum	tma
354	C(CH₃)₃	Tert-butyl radical	tbutyl
355	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
356	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
357	CH₃CH(CH₃)CH₃	Isobutane	isobutane
358	SiH(CH₃)₃	trimethylsilane	trimsi
359	C₂N₂⁺	Cyanogen cation	c2n2+
360	HCCCN	Cyanoacetylene	hcccn
361	C₃H₃N	acrylonitrile	ch2chcn
362	C₃H₇N	Cyclopropylamine	cpram
363	C₃H₇N	Azetidine	azet
364	C₂H₈N₂	Ethylenediamine	ethdiam
365	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
366	N(CH₃)₃	Trimethylamine	trimeam
367	As(CH₃)₃	trimethyl arsine	tmas
368	Li₂O₂	dilithium dioxide	li2o2
369	K₂O₂	dipotassium dioxide	k2o2
370	CO₃	Carbon trioxide	co3
371	CO₃^--	carbonate	co3--
372	SO₃^-	Sulfur trioxide anion	so3-
373	SO₃⁺	Sulfur trioxide cation	so3+
374	TeO₃	Tellurium trioxide	teo3
375	HCO₃^-	bicarbonate anion	hco3-
376	C₂H₂CO	cyclopropenone	c2h2co
377	HCCCHO	2-propynal	hcccho
378	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
379	H₂CS₃	thiocarbonic acid	h2cs3
380	C₂H₃NO	Nitrosoethylene	c2h3no
381	CH₃COO^-	acetate anion	ch3coo-
382	CH₃ONO	Methyl nitrite	ch3ono
383	C₃H₄O	2-Propyn-1-ol	c107197
384	C₃H₄O	allenol	c9000071
385	C₃H₄O	Cyclopropanone	cpone
386	C₃H₄O	Methylketene	c6004440
387	NH₂CONH₂⁺	Urea cation	urea+
388	NH₂CSNH₂	Thiourea	thiourea
389	C₂H₄O₂	1,3-dioxetane	c2h4o2
390	CH₃COOH	Acetic acid	ch3cooh
391	CH₃OCHO	methyl formate	ch3ocho
392	CHOCH₂OH	hydroxy acetaldehyde	haa
393	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
394	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
395	HCOOHH₂O	Formic acid water dimer	hcoohh2o
396	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
397	CH₃CONH₂	Acetamide	acetamide
398	C₂H₅OO	ethylperoxy radical	c2h5oo
399	C₃H₆O	Propylene oxide	prox
400	C₃H₆S	Thietane	thietane
401	C₃H₆S	Thiirane, methyl-	methiirane
402	C₂H₆O₂	1,2-Ethanediol	ethdiol
403	CH₃OOCH₃	dimethylperoxide	dmp
404	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
405	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
406	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
407	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
408	C₃H₇SH	1-Propanethiol	prsh
409	CH₃CHSHCH₃	2-Propanethiol	isoprsh
410	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
411	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
412	Na₂F₂	Sodium Fluoride Dimer	na2f2
413	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
414	AlBr₃	Aluminum Bromide	albr3
415	ClO₃	Chlorine trioxide	clo3
416	ClO₃^-	chlorate anion	clo3-
417	BrO₃^-	Bromate anion	bro3-
418	CCl₃	Trichloromethyl radical	ccl3
419	CCl₃^-	Trichloromethyl anion	ccl3-
420	CCl₃⁺	Trichloromethyl cation	ccl3+
421	SiCl₃⁺	trichlorosilyl cation	sicl3+
422	SeOCl₂	selenium oxychloride	seocl2
423	NF₃⁺	Nitrogen trifluoride cation	nf3+
424	SbF₃	Antimony Trifluoride	sbf3
425	SbCl₃	Antimony Trichloride	sbcl3
426	AsBr₃	Arsenic tribromide	asbr3
427	NI₃	Nitrogen triiodide	ni3
428	PI₃	Phosphorus triiodide	pi3
429	IF₃	iodone trifluoride	if3
430	CHF₂Cl	difluorochloromethane	chf2cl
431	CHFCl₂	fluorodichloromethane	chfcl2
432	CHCl₃	Chloroform	chcl3
433	SiHCl₃	Trichlorosilane	sihcl3
434	CHF₂I	difluoroiodomethane	chf2i
435	CHFClI	fluorochloroiodomethane	chfcli
436	CHCl₂I	dichloroiodomethane	chcl2i
437	CHBr₃	bromoform	chbr3
438	CHI₃	Iodoform	chi3
439	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
440	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
441	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
442	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
443	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
444	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
445	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
446	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
447	CH₃COF	Acetyl fluoride	ch3cof
448	CH₂ClCHO	chloroacetaldehyde	ch2clcho
449	CH₃COCl	Acetyl Chloride	ch3cocl
450	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
451	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
452	CH₂CFCH₃	2-fluoropropene	2fpro
453	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
454	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
455	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
456	CH₃CH₂CH₂Br	n-propyl bromide	prbr
457	CH₃CHBrCH₃	i-propyl bromide	iprbr
458	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
459	C₅H₅^-	cylopentadienyl anion	c5h5-
460	C₅H₆	1,3-Cyclopentadiene	c542927
461	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
462	C₅H₆	3-Penten-1-yne, (E)-	c2004695
463	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
464	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
465	C₅H₆	Cyclopropylacetylene	c6746947
466	C₅H₇	1,3-pentadienyl radical	pdyl
467	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
468	C₅H₈	1,2-Pentadiene	c591957
469	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
470	C₅H₈	1,3-Pentadiene, (E)-	c2004708
471	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
472	C₅H₈	1,4-Pentadiene	c591935
473	C₅H₈	2,3-Pentadiene	c591968
474	C₅H₈	Cyclobutane, methylene-	c1120565
475	C₅H₈	Cyclopentene	c142290
476	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
477	C₅H₁₀	1-Butene, 2-methyl-	c563462
478	C₅H₁₀	2-Butene, 2-methyl-	c513359
479	C₅H₁₀	2-Pentene, (E)-	c646048
480	C₅H₁₀	2-Pentene, (Z)-	c627203
481	C₅H₁₀	Cyclopentane	c287923
482	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
483	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
484	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
485	C₅H₁₂	Butane, 2-methyl-	buta2
486	C₅H₁₂	Pentane	pentane
487	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
488	Si(CH₃)₄	tetramethylsilane	tms
489	N₂O₃	Dinitrogen trioxide	n2o3
490	C₃H₂N₂	Malononitrile	c3h2n2
491	C₂H₃N₃	1H-1,2,4-Triazole	c288880
492	C₃H₄N₂	1H-Pyrazole	1hpyraz
493	C₄H₅N	(E)-2-Butenenitrile	c627269
494	C₄H₅N	(Z)-2-Butenenitrile	c1190767
495	C₄H₅N	2H-pyrrole	pyrrole2
496	C₄H₅N	3H-pyrrole	pyrrole3
497	C₄H₅N	Cyclopropanecarbonitrile	c5500210
498	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
499	C₃H₆N₂	3-Aminopropionitrile	c151188
500	C₅H₈	Bicyclo[2.1.0]pentane	c185944
501	C₅H₈	Spiropentane	c157404
502	C₄H₉N	Cyclobutylamine	cbam
503	C₄H₉N	Pyrrolidine	pyrrolidine
504	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
505	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
506	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
507	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
508	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
509	C₃O₂⁺	Carbon suboxide cation	c3o2+
510	CaCO₃	Calcium Carbonate	caco3
511	PO₄^---	phosphate	po4---
512	SO₄^--	sulfate	so4--
513	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
514	H₂SO₄	Sulfuric acid	h2so4
515	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
516	CH₃NO₃	Methyl nitrate	ch3no3
517	C₄H₄O	Furan	furan
518	C₄H₄O⁺	Furan cation	furan+
519	C₄H₄S	Thiophene	furans
520	C₃H₄O₂	β–Propiolactone	beta
521	C₃H₄O₂	2-Propenoic acid	propenoic2
522	C₃H₄O₂	propanedial	propanedial
523	C₃H₄O₂	propenalol	propenalol
524	C₂H₄O₃	trioxolane124	triox
525	CH₂CHCONH₂	Acrylamide	c79061
526	CH₅N₃S	Hydrazinecarbothioamide	c79196
527	H₂NCH₂COOH	Glycine	glycine
528	C₄H₆O	cis-2-butenal	butenal2c
529	C₄H₆O	Cyclobutanone	cbutone
530	C₄H₆O	Furan, 2,3-dihydro-	furan23h
531	C₄H₆O	Furan, 2,5-dihydro-	furan25h
532	CHOCHCHCH₃	2-Butenal	butenal2
533	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
534	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
535	C₂H₆N₂O	Urea, methyl-	c598505
536	C₃H₆O₂	1,3-Dioxolane	dioxolane
537	CH₃COOCH₃	methyl acetate	aame
538	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
539	C₃H₇NO	Propanamide	propanam
540	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
541	C₄H₈O	Cyclobutanol	c2919235
542	C₄H₈O	Furan, tetrahydro-	thf
543	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
544	CH₃COCH₂CH₃	2-Butanone	buta2one
545	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
546	CHOCH₂CH₂CH₃	Butanal	butanal
547	C₃H₈O₂	1,3-Propanediol	c504632
548	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
549	C₃H₈O₂	Methane, dimethoxy-	c109875
550	C₃H₈O₂	Propylene glycol	c57556
551	C₃H₈S₂	1,3-Propanedithiol	c109808
552	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
553	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
554	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
555	C₄H₁₀O	Propane, 2-methoxy-	c598538
556	C₄H₁₀O⁺	1-Butanol cation	butanol1+
557	C₂H₅SC₂H₅	Diethyl sulfide	etset
558	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
559	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
560	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
561	FNO₃	Fluorine nitrate	fno3
562	ClONO₂	Chlorine nitrate	clono2
563	TiCl₄	Titanium tetrachloride	ticl4
564	ClO₄^-	perchlorate anion	clo4-
565	BF₄^-	tetrafluoroboron anion	bf4-
566	ClFO₃	Perchloryl fluoride	clfo3
567	SO₂Cl₂	Sulfuryl chloride	so2cl2
568	F₃NO	Nitrogen trifluoride oxide	f3no
569	F₃PO	Phosphoryl fluoride	pf3o
570	Cl₃PO	Phosphoryl chloride	pcl3o
571	CF₄	Carbon tetrafluoride	cf4
572	SiF₄	Silicon tetrafluoride	sif4
573	CFCl₃	Trichloromonofluoromethane	cfcl3
574	CCl₄⁺	Carbon tetrachloride cation	ccl4+
575	SiCl₄	Silane, tetrachloro-	sicl4
576	CF₃I	trifluoroiodomethane	cf3i
577	CCl₃I	trichloroiodomethane	ccl3i
578	CFClBrI	fluorochlorobromoiodomethane	cfclbri
579	CF₂I₂	difluorodiiodomethane	cf2i2
580	CBr₄	Carbon tetrabromide	cbr4
581	CCl₂I₂	dichlorodiiodomethane	ccl2i2
582	SiBr₄	Silicon tetrabromide	sibr4
583	CBr₃I	tribromoiododmethane	cbr3i
584	CI₄	tetraiodomethane	ci4
585	SiI₄	silicon tetraiodide	sii4
586	C₂HF₃	Trifluoroethylene	c2hf3
587	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
588	CHClCCl₂	Trichloroethylene	chclccl2
589	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
590	HSO₃F	Fluorosulfonic acid	hso3f
591	CHClCCHCl	1,3-dichloroallene	chclcchcl
592	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
593	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
594	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
595	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
596	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
597	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
598	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
599	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
600	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
601	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
602	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
603	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
604	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
605	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
606	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
607	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
608	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
609	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
610	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
611	C₄H₉F	1-fluorobutane	butaf1
612	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
613	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
614	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
615	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
616	XeF₄	Xenon tetrafluoride	xef4
617	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
618	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
619	C₆H₅	phenyl	phenyl
620	C₆H₆	2,4-Hexadiyne	hexadiyne
621	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
622	C₆H₆⁺	Benzene cation	c6h6+
623	C₆H₈	(E)-hexa-1,3,5-triene	c821078
624	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
625	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
626	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
627	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
628	C₆H₈	3-Methylenecyclopentene	c930267
629	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
630	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
631	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
632	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
633	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
634	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
635	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
636	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
637	C₆H₁₀	1-Hexyne	hexyne1
638	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
639	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
640	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
641	C₆H₁₀	2-Hexyne	c764352
642	C₆H₁₀	cyclohexene	cyclohexene
643	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
644	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
645	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
646	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
647	C₆H₁₂	(E)-2-Hexene	e2hexene
648	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
649	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
650	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
651	C₆H₁₂	3-methylenepentane	c760214
652	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
653	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
654	C₆H₁₂	Cyclopentane, methyl-	c96377
655	C₆H₁₂	Ethylcyclobutane	c4806615
656	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
657	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
658	C₆H₁₄	Hexane	hexane
659	C₆H₁₄	Pentane, 2-methyl-	penta2
660	C₆H₁₄	Pentane, 3-methyl-	penta3
661	C₄N₂	2-Butynedinitrile	c4n2
662	C₃H₃N₃	1,3,5-Triazine	triazine135
663	CH₃N₅	5-Aminotetrazole	c4418615
664	C₄H₄N₂	1,3-Diazine	diazine13
665	C₄H₄N₂	Pyrazine	pyrazine
666	C₄H₄N₂	Pyridazine	pyridazine
667	C₄H₄N₂	Succinonitrile	c110612
668	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
669	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
670	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
671	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
672	C₅H₅N	E-2,4-pentadienenitrile	bdcn
673	C₅H₅N	Pyridine	pyridine
674	C₆H₆	Fulvene	fulvene
675	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
676	C₅H₇N	(E)-2-Pentenenitrile	c26294984
677	C₅H₇N	(E)-3-Pentenenitrile	c16529661
678	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
679	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
680	C₅H₇N	Cyclobutanecarbonitrile	c4426113
681	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
682	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
683	C₅H₉N	Pentanenitrile	c110598
684	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
685	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
686	C₅H₁₁N	Cyclopentanamine	cypentam
687	C₅H₁₁N	Piperidine	piper
688	C₄H₁₂N₂	1,2-Butanediamine	c4426486
689	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
690	Li₂CO₃	Lithium Carbonate	li2co3
691	C₂O₄^--	oxalate anion	c2o4
692	N₂O₄	Dinitrogen tetroxide	n2o4
693	C₂H₃NO₃	Oxamic acid	oxamic
694	C₄H₄O₂	2(5H)-Furanone	furanone
695	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
696	C₂H₄N₂O₂	Oxalamide	oxalamide
697	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
698	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
699	C₄H₅NO	3-Methylisoxazole	isox3m
700	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
701	C₄H₅NS	4-Methylthiazole	c693958
702	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
703	C₅H₆S	Thiophene, 2-methyl-	c554143
704	C₅H₆S	Thiophene, 3-methyl-	c616444
705	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
706	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
707	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
708	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
709	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
710	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
711	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
712	C₄H₆OS	Vinyl sulfoxide	c1115157
713	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
714	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
715	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
716	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
717	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
718	C₄H₇NO	2-Pyrrolidinone	c616455
719	C₄H₇NO	Ethoxyacetonitrile	etoaccn
720	C₄H₇NO	Methacrylamide	c79390
721	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
722	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
723	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
724	CH₃CH(NH₂)COOH	Alanine	alanine
725	CH₃NHCH₂COOH	Sarcosine	sarcosine
726	NH₂CH₂CH₂COOH	β–alanine	betaalanine
727	NH₂COOC₂H₅	Urethane	urethane
728	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
729	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
730	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
731	NH₂CONHC₂H₅	Urea, ethyl-	c625525
732	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
733	C₄H₈O₂	1,4-Dioxane	dioxan14
734	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
735	C₄H₈OS	s-Ethyl thioacetate	c625605
736	C₃H₈O₃	1,2,3-Propanetriol	glycerin
737	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
738	C₄H₉NO	Butanamide	c541355
739	C₄H₉NO	Propanamide, 2-methyl-	c563837
740	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
741	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
742	C₅H₁₀O	2-Pentanone	mpk
743	C₅H₁₀O	Cyclopentanol	c96413
744	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
745	C₅H₁₀O	Pentanal	pal
746	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
747	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
748	C₅H₁₀S	Cyclopentanethiol	c1679078
749	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
750	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
751	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
752	C₄H₁₀O₂	1,3-Butanediol	budiol13
753	C₄H₁₀O₂	1,4-Butanediol	budiol14
754	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
755	C₄H₁₀OS	Diethyl sulfoxide	c70291
756	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
757	C₄H₁₁NO	Diethylhydroxylamine	c3710847
758	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
759	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
760	C₅H₁₂O	1-Pentanol	pentanol1
761	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
762	C₅H₁₂O	2-Pentanol	peol2
763	C₅H₁₂O	3-Pentanol	pentan3ol
764	C₅H₁₂O	Butane, 1-methoxy-	meobu
765	C₅H₁₂O	Propane, 1-ethoxy-	proet
766	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
767	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
768	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
769	C₅H₁₂S	1-Pentanethiol	c110667
770	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
771	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
772	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
773	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
774	C₅H₁₂S	Ethyl propyl sulfide	c4110503
775	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
776	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
777	CF₃CN	Acetonitrile, trifluoro-	cf3cn
778	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
779	B₂F₄	Diboron tetrafluoride	b2f4
780	C₂F₄	Tetrafluoroethylene	c2f4
781	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
782	C₂FCl₃	fluorotrichloroethene	c2fcl3
783	C₂Cl₄	Tetrachloroethylene	c2cl4
784	PCl₅	Phosphorus pentachloride	pcl5
785	SbCl₅	Antimony pentachloride	sbcl5
786	BrF₅	bromine pentafluoride	brf5
787	IF₅	pentafluoroiodine	if5
788	CF₃CHO	trifluoroacetaldehyde	cf3cho
789	CCl₃CHO	trichloroacetaldehyde	ccl3cho
790	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
791	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
792	CF₃COOH	trifluoroacetic acid	cf3cooh
793	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
794	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
795	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
796	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
797	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
798	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
799	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
800	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
801	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
802	C₆H₅CH₂	benzyl radical	benzyl
803	C₆H₅CH₃	toluene	toluene
804	C₇H₈	cycloheptatriene	cht
805	C₇H₈	Norbornadiene	norbor
806	C₇H₈	Quadricyclane	qucy
807	C₇H₁₂	Norbornane	nor
808	C₇H₁₆	2-methylhexane	2mhex
809	C₇H₁₆	3-methylhexane	hex3m
810	C₇H₁₆	heptane	heptane
811	C₆H₇N	2-Methylpyridine	mp
812	C₆H₅NH₂	aniline	aniline
813	C₆H₁₃N	2-Methylpiperidine	pip2m
814	C₆H₁₃N	cyclohexanamine	cham
815	C₆H₁₅N	triethylamine	tea
816	N₂O₅	Dinitrogen pentoxide	n2o5
817	C₆H₅O	phenoxy radical	phenoxy
818	C₅H₅NO	2(1H)-Pyridinone	c72762006
819	C₅H₅NO	2(3H)-Pyridinone	c9000048
820	C₅H₅NO	2(5H)-Pyridinone	c9000037
821	C₅H₅NO	2-Pyridinol	c109104
822	C₅H₅NO	3(2H)-Pyridinone	c9000004
823	C₅H₅NO	3(4H)-Pyridinone	c9000026
824	C₅H₅NO	3(6H)-Pyridinone	c9000015
825	C₅H₅NO	3-Pyridinol	c109002
826	C₅H₅NO	4(1H)-Pryidinone	c9000060
827	C₅H₅NO	4(3H)-Pryidinone	c9000059
828	C₅H₅NO	4-Pyridinol	c626642
829	C₆H₅OH	phenol	phenol
830	C₆H₆O	2,4-Cyclohexadienone	c24599573
831	C₆H₅SH	Benzenethiol	phsh
832	C₄H₈O₂S	Sulfolane	sulfolane
833	CH(C₂H₃)₃	trivinyl methane	tvm
834	C₆H₁₀O	cyclohexanone	chexo
835	C₆H₁₂O	hexanal	c6h12o
836	C₃H₇OC₃H₇	di-n-propyl ether	propr
837	CF₃COF	trifluoroacetyl fluoride	cf3cof
838	CF₃COCl	trifluoroacetyl chloride	cf3cocl
839	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
840	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
841	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
842	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
843	C₆H₅F	Fluorobenzene	bzf
844	C₆H₅Cl	chlorobenzene	bzcl
845	C₆H₅Br	bromobenzene	bzbr
846	C₆H₅CCH	phenylacetylene	phac
847	C₈H₆	benzocyclobutadiene	bcbd
848	C₈H₆	Pentalene	pentalene
849	C₆H₅CHCH₂	Styrene	styrene
850	C₈H₈	cyclooctatetraene	cot
851	C₆H₅CH₂CH₃	Ethylbenzene	etbz
852	CH₃C₆H₄CH₃	meta-xylene	mxylene
853	CH₃C₆H₄CH₃	paraxylene	pxylene
854	C₈H₁₆	cyclooctane	cyclooct
855	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
856	C₈H₁₈	Octane	c8h18
857	C₆H₅CN	phenyl cyanide	phcn
858	C₄O₄^--	squarate dianion	c4o4--
859	S₈	Octasulfur	s8
860	C₆H₄O₂	parabenzoquinone	pbq
861	C₄H₄N₂O₂	Uracil	uracil
862	C₆H₅OCH₃	Anisole	anisole
863	C₆H₁₂O₂	Methyl pivalate	c598981
864	C₆H₁₂O₂	Hexanoic acid	hexa
865	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
866	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
867	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
868	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
869	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
870	C₂F₆	hexafluoroethane	c2f6
871	IF₇	Iodine heptafluoride	if7
872	C₆H₄F₂	metadifluorobenzene	mdfb
873	C₉H₈	Indene	indene
874	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
875	C₉H₂₀	Nonane	nonane
876	C₅H₄N₄	purine	purine
877	C₈H₇N	Indole	indole
878	C₆H₅NO₂	Nitrobenzene	c6h5no2
879	C₆H₅COOH	benzoic acid	benzo
880	CH₃COC₆H₅	acetophenone	acph
881	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
882	C₆H₃F₃	Benzene trifluoride 123	bzf3a
883	C₁₀H₁₆	adamantane	adamantane
884	C₆N₄	Tetracyanoethylene	tcne
885	C₆N₄^-	tetracyanoethylene anion	tcne-
886	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
887	Fe(CO)₅	Iron pentacarbonyl	ipc
888	Fe(C₅H₅)₂	ferrocene	fecp2
889	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
890	C₁₂H₈	Acenaphthylene	acenaph
891	C₁₂H₁₀	biphenyl	biphenyl
892	C₁₂H₁₀	Heptalene	heptalene
893	C₆H₁₂O₆	Inositol	inositol
894	C₆F₆	hexafluorobenzene	c6f6
895	C₁₄H₁₀	Anthracene	anth
896	C₁₄H₁₀	Phenanthrene	phenanthrene
897	C₁₆H₁₀	Pyrene	pyrene
898	C₁₈H₁₂	Tetracene	tetracene
899	C₂₄H₁₂	Coronene	coronene
900	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