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

List of which calculations are completed at MP2=FULL /6-31G

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	H₃⁺	hydrogen trimer cation	¹A₁^'	D_3h
7	He	Helium atom	¹S	K_h
8	He	Helium atom
9	He^-	Helium atom anion	²S	K_h
10	He⁺	Helium atom cation	²S	K_h
11	HeH⁺	Helium hydride cation	¹Σ	C_∞v
12	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
13	Li	Lithium atom	²S	K_h
14	Li^-	Lithium atom anion	¹S	K_h
15	Li⁺	Lithium atom cation	¹S	K_h
16	Na	Sodium atom	²S	K_h
17	Na^-	Sodium atom anion	¹S	K_h
18	Na⁺	Sodium atom cation	¹S	K_h
19	K	Potassium atom	²S	K_h
20	K^-	Potassium atom anion	¹S	K_h
21	K⁺	Potassium atom cation	¹S	K_h
22	Cu	Copper atom	²S	K_h
23	Cu^-	Copper atom anion	¹S	K_h
24	Cu⁺	Copper atom cation	¹S	K_h
25	LiH	Lithium Hydride	¹Σ	C_∞v
26	LiH^-	lithium hydride anion	²Σ	C_∞v
27	LiH⁺	lithium hydride cation	²Σ	C_∞v
28	NaH	sodium hydride	¹Σ	C_∞v
29	NaH^-	sodium hydride anion	²Σ	C_∞v
30	NaH⁺	sodium hydride cation	²Σ	C_∞v
31	KH	Potassium hydride	¹Σ	C_∞v
32	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
33	CuH	Copper monohydride	¹Σ	C_∞v
34	Be	Beryllium atom	¹S	K_h
35	Be^-	Beryllium atom anion	²P	K_h
36	Be⁺	Beryllium atom cation	²S	K_h
37	Mg	Magnesium atom	¹S	K_h
38	Mg^-	Magnesium atom anion	²P	K_h
39	Mg⁺	Magnesium atom cation	²S	K_h
40	Ca	Calcium atom	¹S	K_h
41	Ca^-	Calcium atom anion	²D	K_h
42	Ca⁺	Calcium atom cation	²S	K_h
43	Zn	Zinc atom	¹S	K_h
44	BeH	beryllium monohydride	²Σ	C_∞v
45	BeH^-	berylium monohydride anion	¹Σ	C_∞v
46	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
47	MgH	magnesium monohydride	²Σ	C_∞v
48	MgH^-	magnesium monohydride anion	¹Σ	C_∞v
49	MgH⁺	magnesium monohydride cation	¹Σ	C_∞v
50	CaH	Calcium monohydride	²Σ	C_∞v
51	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
52	TiH	Titanium monohydride	⁴Φ	C_∞v
53	ZnH	Zinc monohydride	²Σ	C_∞v
54	ZnH⁺	Zinc, protonated
55	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
56	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
57	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
58	BeH₂⁺	Beryllium dihydride cation
59	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
60	CaH₂	Calcium Hydride	¹Σ_g	D_∞h
61	ZnH₂	Zinc hydride	¹Σ_g	D_∞h
62	B	Boron atom	²P	K_h
63	B	Boron atom	⁴P	K_h
64	B^-	Boron atom anion	³P	K_h
65	B⁺	Boron atom cation	¹S	K_h
66	Al	Aluminum atom	²P	K_h
67	Al^-	Aluminum atom anion	³P	K_h
68	Al⁺	Aluminum atom cation	¹S	K_h
69	Sc	Scandium atom	²D	K_h
70	Sc⁺	Scandium cation	³D	K_h
71	Ga	Gallium atom	²P
72	Ga^-	Gallium atom anion	³P	O_h
73	Ga⁺	Gallium atom cation	¹S
74	BH	Boron monohydride	¹Σ	C_∞v
75	BH	Boron monohydride	³Π	C_∞v
76	BH^-	boron monohydride anion	²Π	C_∞v
77	BH^-	boron monohydride anion	⁴Σ	C_∞v
78	BH⁺	boron monohydride cation	²Σ	C_∞v
79	AlH^-	aluminum monohydride anion	²Π	C_∞v
80	AlH⁺	aluminum monohydride cation	²Σ	C_∞v
81	ScH	Scandium monohydride	¹Σ	C_∞v
82	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
83	GaH	Gallium monohydride	¹Σ	C_∞v
84	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
85	BH₂^-	boron dihydride anion	³B₁	C_2v
86	BH₂^-	boron dihydride anion	¹A₁	C_2v
87	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
88	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
89	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
90	BH₃	boron trihydride	¹A₁^'	D_3h
91	BH₃^-	boron trihydride anion	²A₂^"	D_3h
92	BH₃⁺	boron trihydride cation	²E^'	D_3h
93	BH₃⁺	boron trihydride cation	²B₂	C_2v
94	BH₃⁺	boron trihydride cation		C_2v
95	AlH₃	aluminum trihydride	¹A₁^'	D_3h
96	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
97	AlH₃^-	aluminum trihydride anion		C_3v
98	AlH₃⁺	aluminum trihydride cation	²E	D_3h
99	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
100	ScH₃	Scandium trihydride	¹A₁^'	D_3h
101	ScH₃	Scandium trihydride	¹A₁	C_3v
102	GaH₃	Gallium trihydride	¹A₁^'	D_3h
103	BH₄	borohydride	²B₂	C_2v
104	BH₄^-	borohydride anion	¹A₁	T_d
105	AlH₄^-	Aluminum tetrahydride anion	¹A₁	T_d
106	C	Carbon atom	³P₀	K_h
107	C	Carbon atom	³P₁	K_h
108	C^-	Carbon atom anion	⁴S	K_h
109	C^-	Carbon atom anion	²D	K_h
110	C⁺	Carbon atom cation	²P	K_h
111	Si	Silicon atom	³P	K_h
112	Si	Silicon atom	¹S	K_h
113	Si^-	Silicon atom anion	⁴S	K_h
114	Si⁺	Silicon atom cation	²P	K_h
115	Ti	Titanium atom	³F	K_h
116	Ge	Germanium atom	³P	K_h
117	Ge^-	Germanium anion	⁴S	K_h
118	Ge⁺	Germanium cation	²P	K_h
119	CH	Methylidyne	²Π_1/2	C_∞v
120	CH	Methylidyne	⁴Σ^-	C_∞v
121	CH^-	methylidyne anion	³Σ	C_∞v
122	CH⁺	Methylidyne cation	¹Σ	C_∞v
123	SiH	Silylidyne	²Π	C_∞v
124	SiH^-	silicon monohydride anion	³Σ	C_∞v
125	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
126	GeH	germylidene	²Π	C_∞v
127	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
128	CH₂	Methylene	³B₁	C_2v
129	CH₂	Methylene	³Σ_G	D_∞h
130	CH₂	Methylene	¹A₁	C_2v
131	CH₂^-	methylene anion	²B₁	C_2v
132	CH₂⁺	methylene cation	²A₁	C_2v
133	CH₂⁺	methylene cation	²Π	D_∞h
134	SiH₂	silicon dihydride	³B₁	C_2v
135	SiH₂^-	silicon dihydride anion	²B₁	C_2v
136	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
137	GeH₂	germylene	¹A₁	C_2v
138	GeH₂^-	germylene anion	²B₁	C_2v
139	CH₃	Methyl radical	²A₁	D_3h
140	CH₃^-	methyl anion	¹A₁	C_3v
141	CH₃⁺	methyl cation	¹A₁^'	D_3h
142	SiH₃	Silyl radical	²A₁	C_3v
143	SiH₃^-	Silyl anion	¹A₁	C_3v
144	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
145	GeH₃	Germyl radical	²A₁	C_3v
146	GeH₃⁺	germyl cation	¹A₁^'	D_3h
147	CD₄	methane-d4	¹A₁	T_d
148	CH₂D₂	methane-d2	¹A₁	C_2v
149	CH₃D	methane-d	¹A₁	C_3v
150	CH₄	Methane	¹A₁	T_d
151	CH₄^-	Methane anion	²A₁	T_d
152	CH₄^-	Methane anion	²A₁	C_3v
153	CH₄⁺	Methane cation	²B₁	C_2v
154	CH₄⁺	Methane cation	²T₂	T_d
155	CH₄⁺	Methane cation	²B₂	D_2d
156	CHD₃	methane-d3	¹A₁	C_3v
157	SiH₂D₂	silane-d2
158	SiH₄	Silane	¹A₁	T_d
159	GeH₄	Germane	¹A₁	T_d
160	SiH₅⁺	Silane, protonated
161	N	Nitrogen atom	⁴S	K_h
162	N	Nitrogen atom	²D	K_h
163	N^-	Nitrogen atom anion	³S	K_h
164	N⁺	Nitrogen atom cation	³P	K_h
165	P	Phosphorus atom	⁴S	K_h
166	P^-	Phosphorus atom anion	³P	K_h
167	P⁺	Phosphorus atom cation	³P	K_h
168	V	Vanadium atom	⁴F	K_h
169	V⁺	Vanadium atom cation	⁵D	K_h
170	As	Arsenic atomic	⁴S	K_h
171	As^-	Arsenic anion	³P	K_h
172	As⁺	Arsenic cation	³P	K_h
173	NH	Imidogen	¹Σ⁺	C_∞v
174	NH^-	Imidogen anion	²Π	C_∞v
175	NH⁺	imidogen cation	²Π	C_∞v
176	PH	phosphorus monohydride	³Σ^-	C_∞v
177	PH	phosphorus monohydride	¹Δ	C_∞v
178	PH^-	phosphorus monohydride anion	²Π	C_∞v
179	PH⁺	phosphorus monohydride cation	²Π	C_∞v
180	AsH	Arsenic monohydride	³Σ	C_∞v
181	AsH	Arsenic monohydride	¹Σ	C_∞v
182	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
183	NH₂	Amino radical	²B₁	C_2v
184	NH₂^-	amino anion	¹A₁	C_2v
185	NH₂⁺	Amino cation	³B₁	C_2v
186	NH₂⁺	Amino cation	¹A₁	C_2v
187	PH₂^-	Phosphino anion	¹A₁	C_2v
188	PH₂⁺	Phosphino cation	¹A₁	C_2v
189	AsH₂	Arsenic dihydride	²A₁	C_2v
190	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
191	NH₃	Ammonia	¹A₁	C_3v
192	NH₃^-	Ammonia anion	²A₁	C_3v
193	NH₃⁺	ammonia cation	²A₂^"	D_3h
194	PH₃	Phosphine	¹A₁	C_3v
195	PH₃⁺	Phosphine cation	²A₁	C_3v
196	AsH₃	Arsine	¹A₁	C_3v
197	AsH₃⁺	Arsine cation	²A₁	C_3v
198	AsH₄⁺	Arsonium
199	NH₄	Ammonium radical
200	NH₄⁺	ammonium cation	¹A₁	T_d
201	PH₄	Phosphoranyl radical
202	PH₄⁺	phosphonium cation
203	O	Oxygen atom	³S	K_h
204	O^-	Oxygen atom anion	²P	K_h
205	O⁺	Oxygen atom cation	⁴S	K_h
206	S	Sulfur atom	³P	K_h
207	S	Sulfur atom
208	S^-	Sulfur atom anion	²P	K_h
209	S⁺	Sulfur atom cation	⁴S	K_h
210	Se	Selenium atom	³P	K_h
211	Se^-	Selenium atom anion	²P	K_h
212	Se⁺	Selenium atom cation	⁴S	K_h
213	OH	Hydroxyl radical	²Π	C_∞v
214	OH^-	hydroxide anion	¹Σ	C_∞v
215	OH⁺	hydoxyl cation	³Σ	C_∞v
216	OH⁺	hydoxyl cation	¹Σ	C_∞v
217	HS	Mercapto radical	²Π	C_∞v
218	HS^-	mercapto anion	¹Σ	C_∞v
219	HS⁺	sulfur monohydride cation	³Σ	C_∞v
220	CrH	Chromium hydride	⁶Σ	C_∞v
221	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
222	HSe	Selenium monohydride	²Π	C_∞v
223	HSe^-	selenium monohydride anion	¹Σ	C_∞v
224	HSe⁺	selenium monohydride cation	³Σ	C_∞v
225	HSe⁺	selenium monohydride cation	¹Σ	C_∞v
226	H₂O	Water	¹A₁	C_2v
227	H₂O^-	water anion	²A₁	C_2v
228	H₂O^-	water anion	²A^'	C_s
229	H₂O⁺	water cation	²B₁	C_2v
230	HDO	Water-d1	¹A₁	C_2v
231	H₂S	Hydrogen sulfide	¹A₁	C_2v
232	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
233	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
234	H₂Se	Hydrogen selenide	¹A₁	C_2v
235	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
236	H₃O⁺	hydronium cation	¹A₁	C_3v
237	H₃S⁺	Sulfonium cation	¹A₁	C_3v
238	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
239	F	Fluorine atom	²P	K_h
240	F^-	Fluorine atom anion	¹S	K_h
241	F⁺	Fluorine atom cation	³S	K_h
242	F⁺	Fluorine atom cation	¹D	K_h
243	Cl	Chlorine atom	²P	K_h
244	Cl^-	Chlorine atom anion	¹S	K_h
245	Cl⁺	Chlorine atom cation	³P	K_h
246	Cl⁺	Chlorine atom cation	¹D	K_h
247	Br	Bromine atom	²P	K_h
248	Br^-	Bromine atom anion	¹S	K_h
249	Br⁺	Bromine atom cation	³P	K_h
250	DF	Hydrofluoric acid-d	¹Σ	C_∞v
251	HF	Hydrogen fluoride	¹Σ	C_∞v
252	HF^-	hydrogen fluoride anion	²Σ	C_∞v
253	HF⁺	hydrogen fluoride cation	²Π	C_∞v
254	HCl	Hydrogen chloride	¹Σ	C_∞v
255	HCl^-	hydrogen chloride anion	²Σ	C_∞v
256	HCl⁺	hydrogen chloride cation	²Π	C_∞v
257	HBr	hydrogen bromide	¹Σ	C_∞v
258	HBr^-	hydrogen bromide anion	²Σ	C_∞v
259	HBr⁺	hydrogen bromide cation	²Π	C_∞v
260	H₂F⁺	dihydrogen fluoride cation	¹A₁	C_2v
261	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
262	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
263	Ne	Neon atom	¹S	K_h
264	Ne	Neon atom
265	Ne^-	Neon atom anion	²S	K_h
266	Ne⁺	Neon atom cation	²P	K_h
267	Ar	Argon atom	¹S	K_h
268	Ar^-	Argon atom anion	²S	K_h
269	Ar⁺	Argon atom cation	²P	K_h
270	Kr	Krypton atom	¹S	K_h
271	Kr⁺	Krypton cation	²P	K_h
272	HeLi⁺	Helium Lithium cation
273	NeH	neon hydrogen	²Σ	C_∞v
274	NeH⁺	neon hydrogen cation	¹Σ	C_∞v
275	ArH⁺	Argon hydride cation	¹Σ	C_∞v
276	KrH⁺	Protonated Krypton	¹Σ	C_∞v
277	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
278	Li₂	Lithium diatomic	¹Σ_g	D_∞v
279	Li₂^-	lithium diatomic anion	²Σ_u	D_∞h
280	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
281	NaLi	lithium sodium	¹Σ	C_∞v
282	NaLi^-	lithium sodium anion	²Σ	C_∞v
283	NaLi⁺	lithium sodium cation	²Σ	C_∞v
284	LiK	Lithium Potassium	¹Σ	C_∞v
285	Na₂	Sodium diatomic	¹Σ_g	D_∞h
286	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
287	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
288	NaK	Sodium Potassium	¹Σ	C_∞v
289	NaK⁺	Sodium Potassium diatomic cation		1
290	K₂	Potassium diatomic	¹Σ_g	D_∞h
291	Cu₂	Copper diatomic	¹Σ_g	D_∞h
292	LiBe	Lithium Beryllium	²Σ	C_∞v
293	LiMg	Lithium magnesium	²Σ	C_∞v
294	NaBe	Sodium Beryllium	²Σ	C_∞v
295	NaMg	Sodium Magnesium	²Σ	C_∞v
296	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
297	Be₂	Beryllium diatomic	³Π_g	D_∞h
298	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
299	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
300	BeMg	Beryllium Magnesium	¹Σ	C_∞v
301	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
302	Mg₂^-	magnesium diatomic anion	²Π_U	D_∞h
303	Mg₂⁺	magnesium diatomic cation	²Σ_u	D_∞h
304	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
305	LiB	Lithium boride	³Π	C_∞v
306	LiAl	Lithium Aluminum
307	NaAl	Sodium aluminum	¹Σ	C_∞v
308	BeB	Beryllium monoboride	²Π	C_∞v
309	B₂	Boron diatomic	³Σ_g	D_∞h
310	B₂	Boron diatomic	¹Σ_g	D_∞h
311	B₂	Boron diatomic	⁵Σ_u	D_∞h
312	B₂^-	Boron diatomic anion	⁴Σ_g	D_∞h
313	B₂⁺	Boron diatomic cation	²Π	D_∞h
314	BAl	Boron Aluminum	³Σ	C_∞v
315	Al₂	Aluminum diatomic	³Σ_g	D_∞h
316	Al₂	Aluminum diatomic	¹Σ_g	D_∞h
317	Al₂^-	aluminum diatomic anion	⁴Σ_g	D_∞h
318	Al₂⁺	aluminum diatomic cation	²Σ_g	D_∞h
319	BGa	Boron Gallium	³Σ	C_∞v
320	AlGa	Aluminum Gallium	³Σ	C_∞v
321	AlGa	Aluminum Gallium	¹Σ	C_∞v
322	Ga₂	Gallium diatomic	³P_iu
323	HBBH	Diborane(2)	³Σ_G	D_∞h
324	LiBH₄	Lithium borohydride	¹A₁	C_3v
325	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
326	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
327	B₂H₆	Diborane	¹A_g	D_2h
328	B₂H₆⁺	Diborane cation
329	Al₂H₆	dialane	¹A_G	D_2h
330	Ga₂H₆	digallane	¹A_G	D_2h
331	LiC	Lithium Carbide	⁴Σ	C_∞v
332	BeC	Beryllium Carbide	³Σ^-	C_∞v
333	BeC	Beryllium Carbide
334	CaC	Calcium monocarbide
335	BC	boron monocarbide	⁴Σ^-	C_∞v
336	BC	boron monocarbide	²Π	C_∞v
337	BC^-	boron monocarbide anion	³Π_u	C_∞v
338	BC^-	boron monocarbide anion	¹Σ_g⁺	C_∞v
339	BC⁺	boron monocarbide cation	³Σ	C_∞v
340	BC⁺	boron monocarbide cation	¹Σ	C_∞v
341	AlC	Aluminum carbide	⁴Σ	C_∞v
342	BSi	Boron silicide	⁴Σ	C_∞v
343	BSi	Boron silicide	²Σ	C_∞v
344	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
345	C₂	Carbon diatomic	³Π_u	D_∞h
346	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
347	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
348	C₂⁺	carbon diatomic cation	²Π	D_∞h
349	SiC	silicon monocarbide	³Σ	C_∞v
350	SiC	silicon monocarbide	¹Σ	C_∞v
351	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
352	SiC⁺	silicon monocarbide cation	²Π	C_∞v
353	Si₂	Silicon diatomic	³Σ_g	D_∞h
354	Si₂	Silicon diatomic	¹Σ_g	D_∞h
355	Si₂^-	silcon diatomic anion	²Σ_g	D_∞h
356	Si₂⁺	silcon diatomic cation	²Π	D_∞h
357	GeC	Germanium monocarbide	¹Σ	C_∞v
358	GeC	Germanium monocarbide
359	SiGe	Silicon Germanium
360	Ge₂	Germanium diatomic	³Σ_g	D_∞h
361	C₂H	Ethynyl radical	²Σ	C_∞v
362	C₂H^-	Ethynyl anion	¹Σ	C_∞v
363	C₂H⁺	Ethynyl cation	³Π	C_∞v
364	C₂H⁺	Ethynyl cation	¹Σ	C_∞v
365	ZnCH₂	Zinc methylene	³B₁	C_2v
366	ZnCH₂	Zinc methylene	¹A₁	C_2v
367	ZnCH₂	Zinc methylene	¹A^'	C_s
368	C₂H₂	Acetylene	¹Σ_g	D_∞h
369	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
370	C₂H₂⁺	acetylene cation
371	CCH₂	vinylidene	¹A₁	C_2v
372	CCH₂	vinylidene	³B₂	C_2v
373	H₂CC^-	vinylidene anion
374	HCCH^-	acetylene anion
375	HCCH^-	acetylene anion
376	Si₂H₂	disilyne
377	Si₂H₂	disilyne
378	Si₂H₂	disilyne
379	Si₂H₂	disilyne
380	CH₃Li	methyl lithium	¹A₁	C_3v
381	CuCH₃	monomethyl copper	¹A₁	C_3v
382	ZnCH₃	Zinc monomethyl	²A₁	C_3v
383	CH₂BH	methyleneborane	¹A₁	C_2v
384	C₂H₃	vinyl	²A^'	C_s
385	C₂H₃^-	vinyl anion	¹A^'	C_s
386	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
387	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
388	C₂H₄	Ethylene	¹A_g	D_2h
389	C₂H₄^-	Ethylene anion	²B_2g	D_2h
390	C₂H₄^-	Ethylene anion	²A_g	C_2h
391	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
392	C₂H₄⁺	Ethylene cation	²B₃	D₂
393	CH₃CH	methylmethylene	³A^"	C_s
394	CH₂SiH₂	silaethylene	¹A₁	C_2v
395	Si₂H₄	Disilene
396	Si₂H₄	Disilene
397	Si₂H₄	Disilene
398	CH₃BH₂	methylborane	¹A^'	C_s
399	C₂H₅	Ethyl radical	²A^'	C_s
400	C₂H₅^-	Ethyl anion	¹A^'	C_s
401	C₂H₅⁺	Ethyl cation	¹A₁	C_2v
402	C₂H₆	Ethane	¹A_1g	D_3d
403	C₂H₆	Ethane	¹A₁^'	D_3h
404	C₂H₆⁺	ethane cation	²B_g	C_2h
405	C₂H₆⁺	ethane cation	²A_g	C_i
406	Si₂H₆	disilane	¹E_u	D_3d
407	GeH₃CH₃	methyl germane	¹A₁	C_3v
408	C₂H₇⁺	Ethane, protonated	¹A	C₂
409	LiN	Lithium Nitride	³Σ	C_∞v
410	LiN	Lithium Nitride	¹Σ	C_∞v
411	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
412	LiP	Lithium monophosphide
413	LiP	Lithium monophosphide
414	BeN	Beryllium mononitride	⁴Σ	C_∞v
415	BeN	Beryllium mononitride	²Π	C_∞v
416	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
417	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
418	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
419	MgN	Magnesium Nitride
420	MgN	Magnesium Nitride
421	BN^-	boron nitride anion	²Σ	C_∞v
422	AlN^-	aluminum mononitride anion	²Σ	C_∞v
423	AlN⁺	aluminum mononitride cation	²Π	C_∞v
424	BP	Boron monophosphide	³Π	C_∞v
425	BP	Boron monophosphide	¹Σ	C_∞v
426	AlP	Aluminum monophosphide	³Σ	C_∞v
427	AlP	Aluminum monophosphide	³Π	C_∞v
428	AlP	Aluminum monophosphide	¹Σ	C_∞v
429	GaN	Gallium mononitride	³Π	C_∞v
430	GaN	Gallium mononitride	¹Σ	C_∞v
431	GaP	Gallium monophosphide	³Σ	C_∞v
432	GaP	Gallium monophosphide	¹Σ	C_∞v
433	GaAs	Gallium arsenide	³Π
434	GaAs	Gallium arsenide	¹Σ
435	BN	boron nitride	³Π	C_∞v
436	BN	boron nitride	¹Σ	C_∞v
437	BN⁺	boron nitride cation	²Π	C_∞v
438	AlN	Aluminum nitride	³Π_i	C_∞v
439	AlN	Aluminum nitride	¹Σ	C_∞v
440	CN	Cyano radical	²Σ	C_∞v
441	CN^-	cyanide anion	¹Σ	C_∞v
442	CN⁺	Cyano cation	¹Σ	C_∞v
443	CP^-	carbon monophosphide anion	¹Σ	C_∞v
444	CP⁺	carbon monophosphide cation	³Σ	C_∞v
445	CP⁺	carbon monophosphide cation	¹Σ	C_∞v
446	SiN^-	silicon mononitride anion	¹Σ	C_∞v
447	SiN⁺	silicon mononitride cation	³Π	C_∞v
448	SiP	Silicon monophosphide	²Π	C_∞v
449	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
450	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
451	SiP⁺	Silicon monophosphide cation	¹Σ	C_∞v
452	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
453	N₂	Nitrogen diatomic
454	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
455	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
456	PN	Phosphorus mononitride	¹Σ	C_∞v
457	PN^-	phosphorus nitride anion	²Π	C_∞v
458	PN⁺	phosphorus nitride cation	²Π	C_∞v
459	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
460	P₂^-	phosphorus diatomic anion	²Π_g	D_∞h
461	P₂⁺	phosphorus diatomic cation	²Π_U	D_∞h
462	AsN	Arsenic mononitride	¹Σ	C_∞v
463	AsP	Arsenic monophosphide	¹Σ	C_∞v
464	As₂	Arsenic diatomic	¹Σ_g	D_∞h
465	HNB	hydrogen nitrogen boron	²Σ	C_∞v
466	HNC	hydrogen isocyanide	¹Σ	C_∞v
467	HCN	Hydrogen cyanide	¹Σ	C_∞v
468	HCN^-	Hydrogen cyanide anion	²A^'	C_s
469	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
470	HNC⁺	hydrogen isocyanide cation
471	HCP⁺	Phosphaethyne cation
472	NNH	Dinitrogen monohydride	²A^'	C_s
473	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
474	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
475	LiNH₂	lithium amide
476	HBNH	Boranimine	¹Σ	C_∞v
477	CNH₂	Aminomethylidyne radical	²B₂	C_2v
478	CNH₂⁺	N-protonated hydrogen isocyanide	¹A₁	C_2v
479	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
480	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
481	HCNH	methyleneazane	²A^'	CS cis
482	HCNH	methyleneazane	²A^'	CS trans
483	HCNH⁺	N-protonated HCN	¹Σ	C_∞v
484	H₂NN	Isodiazene
485	N₂H₂	(E)-diazene	¹A_g	C_2h
486	N₂H₂	(Z)-Diazene	¹A₁	C_2v
487	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
488	CH₂NH	Methanimine	¹A^'	C_s
489	CH₂NH⁺	Methanimine cation
490	CHNH₂	aminomethylene
491	CHNH₂⁺	Aminocarbene cation
492	CH₂PH	Phosphaethene	¹A^'	C_s
493	BH₂NH₂	Boranamine
494	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
495	N₂H₄	Hydrazine	¹A	C₂
496	N₂H₄⁺	hydrazine cation	²A_G	C_2h
497	CH₃NH₂	methyl amine	¹A^'	C_s
498	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
499	SiH₃NH₂	Silane, amino
500	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
501	BH₃PH₃	borane phosphine
502	BH₃NH₃	borane ammonia	¹A₁	C_3v
503	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
504	CH₃NH₃⁺	protonated methylamine	¹A₁	C_3v
505	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
506	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
507	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
508	N₂H₇⁺	ammonia ammonium dimer
509	LiO	lithium oxide	²Σ	C_∞v
510	LiO^-	lithium oxide anion	¹Σ	C_∞v
511	LiO^-	lithium oxide anion	³Σ	C_∞v
512	LiO⁺	lithium oxide cation	³Σ	C_∞v
513	LiO⁺	lithium oxide cation	¹Σ	C_∞v
514	LiS	Lithium monosulfide	²Π	C_∞v
515	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
516	NaO	sodium monoxide	²Σ	C_∞v
517	NaO^-	sodium oxide anion	¹Σ	C_∞v
518	NaO⁺	sodium oxide cation	³Σ	C_∞v
519	KO	Potassium monoxide	²Σ	C_∞v
520	KO⁺	Potassium monoxide cation	³Σ	C_∞v
521	NaS	Sodium sulfide	²Π	C_∞v
522	CuO	Copper Monoxide	²Π	C_∞v
523	LiSe	Lithium monoselenide
524	BeO	beryllium oxide	¹Σ	C_∞v
525	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
526	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
527	MgO^-	magnesium oxide anion	²Σ	C_∞v
528	MgO⁺	magnesium oxide cation	²Π	C_∞v
529	CaO	Calcium monoxide	¹Σ	C_∞v
530	MgS^-	magnesium sulfide anion	²Σ	C_∞v
531	MgS⁺	magnesium sulfide cation	²Π	C_∞v
532	CaS	Calcium sulfide	¹Σ	C_∞v
533	ZnO	zinc monoxide	¹Σ	C_∞v
534	ZnS	Zinc sulfide	¹Σ⁺	C_∞v
535	BeS^-	Beryllium monosulfide anion	²Σ	C_∞v
536	BeS⁺	Beryllium monosulfide cation	²Π	C_∞v
537	BO	boron monoxide	²Σ	C_∞v
538	BO^-	boron monoxide anion	¹Σ	C_∞v
539	AlO^-	Aluminum monoxide anion	¹Σ	C_∞v
540	AlO⁺	aluminum monoxide cation	¹Σ	C_∞v
541	BS^-	boron monosulfide anion	¹Σ	C_∞v
542	BS⁺	boron monosulfide cation	¹Σ	C_∞v
543	AlS^-	aluminum monosulfide anion	¹Σ	C_∞v
544	AlS⁺	aluminum monosulfide cation	¹Σ	C_∞v
545	ScO	Scandium monoxide	²Σ	C_∞v
546	GaO	Gallium monoxide	²Σ	C_∞v
547	GaS	Gallium monosulfide
548	BO⁺	boron monoxide cation	¹Σ	C_∞v
549	CO	Carbon monoxide	¹Σ	C_∞v
550	CO	Carbon monoxide	³Π	C_∞v
551	CO^-	carbon monoxide anion	²Π	C_∞v
552	CO⁺	carbon monoxide cation	²Σ	C_∞v
553	CS	carbon monosulfide	¹Σ	C_∞v
554	CS^-	carbon monosulfide anion	²Π	C_∞v
555	CS⁺	carbon monosulfide cation	²Σ	C_∞v
556	SiO	Silicon monoxide	¹Σ	C_∞v
557	SiO^-	silicon monoxide anion	²Π	C_∞v
558	SiO⁺	silicon monoxide cation	²Σ	C_∞v
559	SiS	silicon monosulfide	¹Σ	C_∞v
560	SiS^-	silicon monosulfide anion	²Π	C_∞v
561	SiS⁺	silicon monosulfide cation	²Σ	C_∞v
562	TiO	Titanium monoxide	³Δ	C_∞v
563	CSe	Carbon monoselenide	¹Σ	C_∞v
564	CSe^-	Carbon monoselenide anion	²Π	C_∞v
565	CSe⁺	Carbon monoselenide cation	²Σ	C_∞v
566	GeO	Germanium monoxide	¹Σ	C_∞v
567	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
568	GeS	Germanium monosulfide	¹Σ	C_∞v
569	SiSe	Silicon Monoselenide
570	SiSe⁺	Silicon Monoselenide cation
571	GeSe	Germanium monoselenide
572	NO	Nitric oxide	²Π	C_∞v
573	NO^-	nitric oxide anion	³Σ	C_∞v
574	NO^-	nitric oxide anion	¹Δ	C_∞v
575	NO⁺	nitric oxide cation	¹Σ	C_∞v
576	NS	Mononitrogen monosulfide	²Π	C_∞v
577	NS^-	nitrogen sulfide anion	³Σ	C_∞v
578	NS^-	nitrogen sulfide anion	¹Σ	C_∞v
579	NS⁺	nitrogen sulfide cation	¹Σ	C_∞v
580	PO	Phosphorus monoxide	²Π	C_∞v
581	PO^-	phosphorus monoxide anion	³Σ	C_∞v
582	PO⁺	phosphorus monoxide cation	¹Σ	C_∞v
583	PS	phosphorus sulfide	²Σ	C_∞v
584	PS^-	phosphorus monosulfide anion	³Σ	C_∞v
585	PS^-	phosphorus monosulfide anion	¹Σ	C_∞v
586	PS⁺	phosphorus monosulfide cation	¹Σ	C_∞v
587	VO	Vanadium monoxide	⁴Σ^-
588	AsO	Arsenic monoxide	²Π	C_∞v
589	NSe	Nitrogen monoselenide	²Π	C_∞v
590	AsS	Arsenic monosulfide	²Π	C_∞v
591	PSe	Phosphorus monoselenide	²Π	C_∞v
592	AsSe	Arsenic monoselenide	²Π	C_∞v
593	O₂	Oxygen diatomic	³Σ_g	D_∞h
594	O₂	Oxygen diatomic	¹Δ_g	D_∞h
595	O₂^-	oxygen diatomic anion	²Π	D_∞h
596	O₂^--	dioxygen dianion
597	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
598	SO	Sulfur monoxide	³Σ	C_∞v
599	SO	Sulfur monoxide	¹Σ	C_∞v
600	SO^-	sulfur monoxide anion	²Π	C_∞v
601	SO⁺	sulfur monoxide cation	²Π	C_∞v
602	S₂	Sulfur diatomic	³Σ_g	D_∞h
603	S₂	Sulfur diatomic	¹Σ	D_∞h
604	S₂^-	sulfur diatomic anion	²Π	D_∞h
605	S₂⁺	sulfur diatomic cation	²Π	D_∞h
606	SeO	Selenium monoxide	³Σ	C_∞v
607	SeO	Selenium monoxide	¹?	C_∞v
608	SeO^-	selenium monoxide anion	²Π	C_∞v
609	SeS	Selenium monosulfide	³Σ	C_∞v
610	SeS^-	selenium monosulfide anion	²Π	C_∞v
611	SeS⁺	selenium monosulfide cation	²Π	C_∞v
612	Se₂	Selenium diatomic	³Σ_g	D_∞h
613	Se₂	Selenium diatomic	¹Σ_g⁺	D_∞h
614	Se₂^-	selenium diatomic anion	²Π	D_∞h
615	Se₂⁺	selenium diatomic cation	²Π_g	D_∞h
616	LiOH	lithium hydroxide	¹Σ	C_∞v
617	KOH	Potassium hydroxide	¹Σ	C_∞v
618	BeOH	beryllium monohydroxide	²A^'	C_s
619	BeOH	beryllium monohydroxide	²Σ	C_∞v
620	CaOH	Calcium monohydroxide	²Σ⁺	C_∞v
621	HBO	Boron hydride oxide	¹Σ	C_∞v
622	HBS	hydrogen boron sulfide	¹Σ	C_∞v
623	COH	Hydroxymethylidyne
624	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
625	HCO	Formyl radical	²A^'	C_s
626	HCO^-	formyl anion	¹A^'	C_s
627	HCO⁺	Formyl cation	¹Σ	C_∞v
628	HCS	Thioformyl radical	²A^'	C_s
629	HCS^-	Thioformyl anion	¹A^'	C_s
630	HCS⁺	Thioformyl cation	¹Σ	C_∞v
631	HNO	Nitrosyl hydride	¹A^'	C_s
632	HNO^-	Nitrosyl hydride anion	²A^"	C_s
633	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
634	NOH	Hydroxyimidogen	³A^"	C_s
635	NOH⁺	O-protonated nitric oxide	²A^'	C_s
636	HNS	Sulfur imide	¹A^'	C_s
637	HNS^-	Sulfur imide anion	²A	C_s
638	HO₂	Hydroperoxy radical	²A^"	C_s
639	HO₂^-	Hydroperoxy anion	¹A^'	C_s
640	HO₂⁺	Hydroperoxy cation	³A^"	C_s
641	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
642	HSO⁺	Sulfur Monoxide, S-protonated
643	SOH	Sulfur Hydroxide
644	SOH⁺	Sulfur Monoxide, protonated
645	HS₂	Thiosulfeno radical	²A^"	C_s
646	H₂CO	Formaldehyde	¹A₁	C_2v
647	H₂CO^-	formaldehyde anion	²A^'	C_s
648	H₂CO^-	formaldehyde anion
649	H₂CO⁺	formaldehyde cation	²B₂	C_2v
650	HOCH	hydroxycarbene	¹A^'	CS trans
651	HOCH	hydroxycarbene	¹A^'	CS cis
652	H₂CS	Thioformaldehyde	¹A₁	C_2v
653	H₂CS^-	thioformaldehyde anion
654	H₂CS^-	thioformaldehyde anion
655	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
656	H₂CSe	Selenoformaldehyde
657	H₂NO	nitroxide	²B₁	C_2v
658	H₂NO	nitroxide	²A^'	C_s
659	H₂O₂	Hydrogen peroxide	¹A	C₂
660	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
661	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
662	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
663	H₂OO	water oxide
664	HOSH	hydrogen thioperoxide
665	H₂S₂	Disulfane	¹A	C₂
666	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
667	H₂Se₂	hydrogen diselenide
668	CH₂OH	Hydroxymethyl radical	²A	C₁
669	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
670	CH₃O^-	methoxy anion	¹A₁	C_3v
671	CH₃O⁺	Methoxy cation	³A₁	C_3v
672	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
673	NH₂OH	hydroxylamine	¹A^'	C_s
674	NH₂OH⁺	Hydroxylamine cation
675	NH₃O	Ammonia Oxide	¹A₁	C_3v
676	H₂POH	Phosphinous acid	¹A₁^'	CS trans
677	H₂POH	Phosphinous acid	¹A₁^'	CS cis
678	H₃PO	Phosphine oxide	¹A₁	C_3v
679	NH₂SH	Thiohydroxylamine
680	NH₂SH	Thiohydroxylamine
681	NH₃S	sulfidoazane
682	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
683	CH₃OH	Methyl alcohol	¹A^'	C_s
684	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
685	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
686	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
687	CH₃OH⁺	Methyl alcohol cation	²A	C₁
688	CH₃SH	Methanethiol	¹A^'	C_s
689	CH₃SH⁺	Methanethiol cation	²A^"	C_s
690	SiH₃OH	silanol
691	CH₃SeH	Methane selenol	¹A^'	C_s
692	NH₂OH₂⁺	protonated hydroxylamine
693	NH₃OH⁺	N-protonated hydroxylamine
694	H₂OH₂O	water dimer	¹A^'	C_s
695	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
696	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
697	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
698	LiF	lithium fluoride	¹Σ	C_∞v
699	LiCl	lithium chloride	¹Σ	C_∞v
700	LiCl^-	lithium chloride anion	²Σ	C_∞v
701	LiCl⁺	lithium chloride cation	²Π	C_∞v
702	NaF	sodium fluoride	¹Σ	C_∞v
703	NaF^-	sodium fluoride anion	²Σ	C_∞v
704	NaF⁺	sodium fluoride cation	²Σ	C_∞v
705	KF	Potassium Fluoride	¹Σ	C_∞v
706	NaCl	Sodium Chloride	¹Σ	C_∞v
707	NaCl^-	sodium chloride anion	²Σ	C_∞v
708	NaCl⁺	sodium chloride cation	²Π	C_∞v
709	KCl	Potassium Chloride	¹Σ	C_∞v
710	CuF	Copper monofluoride	¹Σ	C_∞v
711	LiBr	Lithium Bromide	¹Σ	C_∞v
712	LiBr^-	lithium bromide anion	²Σ	C_∞v
713	LiBr⁺	lithium bromide cation	²Π	C_∞v
714	CuCl	Copper monochloride	¹Σ	C_∞v
715	NaBr	Sodium Bromide	¹Σ	C_∞v
716	NaBr^-	sodium bromide anion	²Σ	C_∞v
717	NaBr⁺	sodium bromide cation	²Π	C_∞v
718	KBr	Potassium Bromide	¹Σ	C_∞v
719	LiF^-	lithium fluoride anion	²Σ	C_∞v
720	LiF⁺	lithium fluoride cation	²Π	C_∞v
721	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
722	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
723	MgF^-	magnesium fluoride anion	¹Σ	C_∞v
724	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
725	CaF	Calcium monofluoride	²Σ	C_∞v
726	MgCl^-	magnesium monochloride anion	¹Σ	C_∞v
727	MgCl⁺	magnesium monochloride cation	¹Σ	C_∞v
728	CaCl	calcium monochloride	²Σ	C_∞v
729	TiCl	Titanium Monochloride	⁴Σ	C_∞v
730	ZnF	Zinc monofluoride	²Σ	C_∞v
731	ZnCl	Zinc monochloride	²Σ	C_∞v
732	CaBr	Calcium monobromide
733	BeCl^-	beryllium monochloride anion	¹Σ	C_∞v
734	BeCl⁺	beryllium monochloride cation	¹Σ	C_∞v
735	BF	Boron monofluoride	¹Σ	C_∞v
736	BF^-	Boron monofluoride anion	²Π	C_∞v
737	BF⁺	Boron monofluoride cation	²Σ	C_∞v
738	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
739	AlF^-	Aluminum monofluoride anion	²Π	C_∞v
740	AlF⁺	Aluminum monofluoride cation	²Σ	C_∞v
741	BCl^-	boron monochloride anion	²Π	C_∞v
742	BCl⁺	boron monochloride cation	²Σ	C_∞v
743	AlCl	Aluminum monochloride	¹Σ	C_∞v
744	AlCl^-	aluminum monochloride anion	²Π	C_∞v
745	AlCl⁺	aluminum monochloride cation	²Σ	C_∞v
746	ScF	Scandium monofluoride	¹Σ	C_∞v
747	BBr	Boron monobromide	¹Σ	C_∞v
748	GaF	Gallium monofluoride	¹Σ	C_∞v
749	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
750	AlBr	Aluminum monobromide
751	GaCl	Gallium monochloride	¹Σ_G	C_∞v
752	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
753	GaBr	Gallium monobromide
754	CF	Fluoromethylidyne	²Π	C_∞v
755	CF^-	carbon monofluoride anion	³Σ	C_∞v
756	CF^-	carbon monofluoride anion	¹Σ	C_∞v
757	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
758	CCl^-	carbon monochloride anion	³Σ	C_∞v
759	CCl⁺	carbon monochloride cation	¹Σ	C_∞v
760	SiF	silicon monofluoride	²Π	C_∞v
761	SiF^-	silicon monofluoride anion	³Σ	C_∞v
762	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
763	SiCl	Clorosilylidyne	²Π	C_∞v
764	SiCl^-	silicon monochloride anion	³Σ	C_∞v
765	SiCl⁺	silicon monochloride cation	¹Σ	C_∞v
766	CBr	Carbon monobromide	²Π	C_∞v
767	GeF	Germanium monofluoride	²Π	C_∞v
768	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
769	GeCl	Germanium monochloride	²Π	C_∞v
770	GeCl⁺	Germanium monochloride cation
771	SiBr	Silicon monobromide	²Π	C_∞v
772	SiBr⁺	Silicon monobromide cation
773	NF	nitrogen fluoride	¹Σ	C_∞v
774	NF^-	nitrogen monofluorine anion	²Π	C_∞v
775	NF⁺	nitrogen monofluoirde cation	²Π	C_∞v
776	NCl	nitrogen monochloride	³Σ	C_∞v
777	NCl	nitrogen monochloride	¹Σ	C_∞v
778	NCl^-	nitrogen monochloride anion	²Π	C_∞v
779	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
780	PF	phosphorus monofluoride	¹Δ	C_∞v
781	PF^-	phosphorus monofluoride anion	²Π	C_∞v
782	PF⁺	phosphorus monofluoride cation	²Π	C_∞v
783	PCl	phosphorus chloride	¹Σ	C_∞v
784	PCl^-	phosphorus monochloride anion	²Π	C_∞v
785	PCl⁺	phosphorus monochloride cation	²Π	C_∞v
786	AsF	Arsenic monofluoride	³Σ	C_∞v
787	AsF	Arsenic monofluoride	¹Δ	C_∞v
788	NBr	nitrogen monobromide	³Σ^-	C_∞v
789	AsCl	Arsenic monochloride	³Σ	C_∞v
790	PBr	Phosphorus monobromide
791	FO	Oxygen monofluoride	²Π	C_∞v
792	FO^-	flourine oxide anion	¹Σ	C_∞v
793	FO⁺	fluorine monoxide cation	³Σ	C_∞v
794	ClO	Monochlorine monoxide	²Π	C_∞v
795	ClO^-	chlorine monoxide anion	¹Σ	C_∞v
796	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
797	ClO⁺	chlorine monoxide cation	¹Σ	C_∞v
798	SF	Monosulfur monofluoride	²Π	C_∞v
799	SF^-	sulfur monofluoride anion	¹Σ	C_∞v
800	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
801	SF⁺	sulfur monofluoride cation	¹Σ	C_∞v
802	SCl	sulfur monochloride	²Π	C_∞v
803	SCl^-	sulfur monochloride anion	¹Σ	C_∞v
804	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
805	SCl⁺	sulfur monochloride cation	¹Σ	C_∞v
806	BrO	Bromine monoxide	²Π	C_∞v
807	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
808	BrO⁺	Bromine monoxide cation
809	SeF	Selenium monofluoride	²Π	C_∞v
810	SBr	Sulfur monobromide radical
811	SBr⁺	Sulfur monobromide cation
812	SeCl	Selenium monochloride	²Π	C_∞v
813	SeBr	Selenium monobromide
814	BrCl	Bromine monochloride	¹Σ	C_∞v
815	F₂	Fluorine diatomic	¹Σ_g	D_∞h
816	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
817	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
818	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
819	ClF⁺	clorine monofluoride cation	²Π	C_∞v
820	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
821	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
822	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
823	BrF	Bromine monofluoride	¹Σ	C_∞v
824	BrF^-	bromine fluoride anion	²Σ	C_∞v
825	BrF⁺	bromine fluoride cation	²Π	C_∞v
826	BrCl^-	bromine chloride anion	²Σ	C_∞v
827	BrCl⁺	bromine chloride cation	²Π	C_∞v
828	Br₂	Bromine diatomic	¹Σ_g	D_∞h
829	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
830	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
831	HCF	Fluoromethylene	¹A^'	C_s
832	HCF	Fluoromethylene	³A^"	C_s
833	HCCl	Chloromethylene	¹A^'	C_s
834	HCCl	Chloromethylene	³A^"	C_s
835	HSiF	fluorosilylene
836	HSiCl	Chlorosilylene
837	HSiBr	monobromosilylene
838	CHBr	bromomethylene	¹A^'	C_s
839	CHBr	bromomethylene	³A^"	C_s
840	HOF	Hypofluorous acid	¹A^'	C_s
841	HOCl	hypochlorous acid	¹A^'	C_s
842	HOCl⁺	hypochlorous acid cation
843	HOBr	Hypobromous acid	¹A^'	C_s
844	HOBr⁺	Hypobromous acid cation	²A^"	C_s
845	F₂H⁺	Fluorine, protonated	¹A^'	C_s
846	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
847	ClFH⁺	Chlorine fluoride, F-protonated
848	FClH⁺	Chlorine fluoride, Cl-protonated
849	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
850	CH₂Br	bromomethyl radical	²A^'	C_s
851	CH₂Br	bromomethyl radical
852	CH₂F	fluoromethyl radical	²A	C_s
853	CH₂F⁺	fluoromethyl cation
854	CH₂Cl⁺	chloromethyl cation
855	CH₂Cl	chloromethyl radical	²A^'	C_s
856	CH₂Cl	chloromethyl radical	²B₁	C_2v
857	NH₂F	monofluoroamine	¹A^'	C_s
858	NH₂Cl	chloramine	¹A^'	C_s
859	CH₃F⁺	methyl fluoride cation
860	CD₃F	methylfluoride-d3	¹A₁	C_3v
861	CH₃F	Methyl fluoride	¹A₁	C_3v
862	CD₃Cl	methyl chloride d3	¹A₁	C_3v
863	CH₃Cl	Methyl chloride	¹A₁	C_3v
864	CH₃Cl⁺	Methyl chloride cation
865	SiH₃F	monofluorosilane	¹A₁	C_3v
866	SiH₃Cl	chlorosilane	¹A₁	C₁
867	CH₃Br	methyl bromide	¹A₁	C_3v
868	GeH₃F	monofluorogermane
869	GeH₃Cl	monochlorogermane
870	SiH₃Br	bromosilane	¹A₁	C_3v
871	NH₃Cl⁺	protonated monochloroammonia
872	CH₃ClH⁺	methyl chloride, protonated
873	NH₄Cl	Ammonium chloride
874	LiNe⁺	Lithium Neon cation
875	Ne₂	Neon diatomic	¹Σ_g	D_∞h
876	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
877	Ar₂	Argon diatomic	¹S_g	D_∞h
878	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
879	Li₃	Lithium trimer	²B₂	C_2v
880	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
881	C₃	carbon trimer	¹Σ_g	D_∞h
882	C₃	carbon trimer	¹A₁	C_2v
883	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
884	SiC₂	Silicon dicarbide
885	C₃H₃	cyclopropenyl radical	²A^'	C_s
886	C₃H₃^-	Propargyl anion	¹A^'	C_s
887	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
888	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
889	C₃H₄	cyclopropene	¹A₁	C_2v
890	CH₂CCH₂	allene	¹A₁	D_2d
891	CH₃CCH	propyne	¹A^'	C_3v
892	C₃H₅	Allyl radical	²A₂	C_2v
893	C₃H₅	Allyl radical	²A^"	C_s
894	C₃H₅⁺	Allyl cation	¹A₁	C_2v
895	CH₃CHCH	1-propenyl radical	²A^'	C_s
896	Zn(CH₃)₂	dimethyl zinc	¹A₁^'	D_3h
897	C₃H₆	Cyclopropane	¹A₁^'	D_3h
898	CH₂CHCH₃	Propene	¹A^'	C_s
899	C₃H₇	n-Propyl radical	²A^"	C₁
900	C₃H₇⁺	cyclopropane, protonated
901	CH₃CHCH₃	Isopropyl radical	²A	C₂
902	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
903	C₃H₈	Propane	¹A₁	C_2v
904	SiH₂(CH₃)₂	dimethylsilane	¹A₁	C_2v
905	Si₃H₈	trisilane
906	LiCN	lithium cyanide	¹Σ	C*V LiCN
907	LiCN	lithium cyanide	¹A^'	C_s
908	LiCN	lithium cyanide	¹Σ	C*V LiNC
909	NaCN	Sodium Cyanide	¹Σ	C_∞v
910	NaCN	Sodium Cyanide	¹A	C_s
911	NaCN	Sodium Cyanide	¹Σ	C_∞v
912	KCN	Potassium cyanide	¹Σ	C_∞v
913	KCN	Potassium cyanide	¹Σ	C_∞v
914	KCN	Potassium cyanide	¹A^'	C_s
915	ZnCN	Zinc monocyanide	²Σ	C_∞v
916	ZnNC	Zinc isocyanide	²Σ	C_∞v
917	AlCN	Aluminum monocyanide
918	AlNC	Aluminum isocyanide
919	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
920	CNN	Diazocarbene
921	NCN	Cyanoimidogen	³Σ_g	D_∞h
922	NCN	Cyanoimidogen	¹Σ_g	D_∞h
923	N₃	azide radical	²Π_g	D_∞h
924	N₃^-	azide anion	¹Σ_G	D_∞h
925	N₃⁺	azide cation	³Σ_g	D_∞h
926	N₃⁺	azide cation	³Σ	C_∞v
927	HCCN	cyanomethylene	³A^"	C_s
928	HCCN	cyanomethylene	³Σ	C_∞v
929	HCCN	cyanomethylene
930	HN₃	hydrogen azide	¹A^'	C_s
931	HN₃⁺	Hydrazoic acid cation
932	HNCNH	diiminomethane	¹A	C₂
933	CH₂N₂	diazirine	¹A₁	C_2v
934	CH₂NN	diazomethane	¹A₁	C_2v
935	NH₂CN	cyanamide	¹A^'	C_s
936	NH₂CN	cyanamide	¹A₁	C_2v
937	HNNNH⁺	1,2-Triazadienium
938	NH₂NN⁺	hydrazoic acid, protonated
939	CH₃CN	Acetonitrile	¹A₁	C_3v
940	CH₃CN^-	acetonitrile anion	²E	C_3v
941	CH₃CN^-	acetonitrile anion	²A^'	C_s
942	CH₃CN⁺	Acetonitrile cation	²E	C_3v
943	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
944	CH₃NC	methyl isocyanide	¹A₁	C_3v
945	CHNCH₂	2H-Azirine
946	CHNHCH	1H-Azirine
947	H₂CCNH	Ethenimine
948	H₂CNCH	methyleneaminomethylene
949	HCCNH₂	Ethynamine
950	HCNCH₂⁺	2H-Azirine cation
951	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
952	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
953	NH₂CNH⁺	cyanamide, cn protonated
954	NH₃CN⁺	cyanamide, amine protonated
955	CH₂CHNH	vinylazine	²A^"	CS cis
956	CH₂CHNH	vinylazine	²A^"	CS trans
957	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
958	NHCHNH₂	aminomethanimine	¹A	C₁
959	CH₂CHNH₂	aminoethene	¹A	C₁
960	CH₂NCH₃	N-methylmethanimine	¹A^'	C_s
961	CH₃CHNH	ethanimine	¹A^'	CS NH up
962	CH₃CHNH	ethanimine	¹A^'	CS NH down
963	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
964	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
965	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
966	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
967	CH₃CH₂NH₂	Ethylamine
968	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
969	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
970	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
971	Li₂O	dilithium oxide	¹Σ_g	D_∞h
972	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
973	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
974	Li₂S	dilithium sulfide	¹A₁	C_2v
975	Na₂O	disodium monoxide	¹Σ_g	Linear
976	Na₂O	disodium monoxide	¹A₁	C_2v
977	Na₂S	Sodium sulfide
978	Na₂S	Sodium sulfide
979	LiO₂	Lithium dioxide
980	NaO₂	Sodium superoxide
981	CCO	Dicarbon monoxide	³Σ	C_∞v
982	CCO	Dicarbon monoxide	¹Π	C_∞v
983	CNO^-	fulminate	¹Σ	C_∞v
984	NCO	isocyanato radical	²Π	C_∞v
985	NCO^-	cyanate	¹Σ	C_∞v
986	SCN	thiocyanato radical	²Π	C_∞v
987	SCN^-	thiocyanide anion	¹Σ	C_∞v
988	BO₂^-	Boron dioxide anion	¹Σ_g	D_∞h
989	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
990	N₂O	Nitrous oxide	¹Σ	C_∞v
991	N₂O^-	Nitrous oxide anion	²A^'	C_s
992	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
993	NNS	Nitrogen sulfide	¹Σ	C_∞v
994	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
995	CO₂	Carbon dioxide	¹Σ_g	D_∞h
996	CO₂^-	Carbon dioxide anion	²A₁	C_2v
997	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
998	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
999	OCS	Carbonyl sulfide	¹Σ	C_∞v
1000	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
1001	CS₂	Carbon disulfide	¹Σ_g	D_∞h
1002	CS₂^-	Carbon disulfide anion	²A₁	C_2v
1003	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
1004	TiO₂	Titanium dioxide	¹A₁	C_2v
1005	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
1006	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
1007	OCSe	Carbonyl selenide	¹Σ	C_∞v
1008	SCSe	Carbon sulfide selenide
1009	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
1010	CSe₂	Carbon diselenide	¹A₁	D_∞h
1011	NO₂	Nitrogen dioxide	²A₁	C_2v
1012	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
1013	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
1014	NSO	sulfinyl amidogen
1015	PO₂	Phosphorus dioxide	²A₁	C_2v
1016	PO₂^-	Phosphorus dioxide anion	¹A₁	C_2v
1017	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
1018	SNO	Nitrogen oxide sulfide
1019	AsO₂	Aresenic dioxide	²A₁	C_2v
1020	O₃	Ozone	¹A₁	C_s
1021	O₃^-	Ozone anion	²B₁	C_2v
1022	O₃⁺	Ozone cation	²A₁	C_2v
1023	SO₂	Sulfur dioxide	¹A₁	C_2v
1024	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
1025	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
1026	SSO	Disulfur monoxide	¹A^'	C_s
1027	S₃	Sulfur trimer	¹A₁	C_2v
1028	S₃	Sulfur trimer
1029	S₃^-	Sulfur trimer anion	²B₁	C_2v
1030	S₃⁺	Sulfur trimer cation	²B₂	C_2v
1031	SeO₂	Selenium dioxide	¹A₁	C_2v
1032	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
1033	HCCO	ketenyl radical	²Π	C_∞v
1034	HCCO	ketenyl radical	²A^"	C_s
1035	HCNO	fulminic acid	¹Σ	C_∞v
1036	HCNO	fulminic acid	¹A^'	C_s
1037	HNCO	Isocyanic acid	¹A^'	C_s
1038	HOCN	cyanic acid	¹A^'	C_s
1039	HNCS	Isothiocyanic acid
1040	HNCS	Isothiocyanic acid
1041	HSCN	thiocyanic acid	¹A^'	C_s
1042	HCO₂^-	formate anion	¹A₁	C_2v
1043	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
1044	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
1045	HCOO	formate neutral radical	²A^'	C_s
1046	HOCO	Hydrocarboxyl radical	¹A^'	cis
1047	HOCO	Hydrocarboxyl radical	¹A^'	trans
1048	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
1049	HNO₂⁺	nitrous acid cation	²A^'	C_s
1050	O₃H⁺	protonated ozone	¹A^'	C_s
1051	O₃H⁺	protonated ozone
1052	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
1053	C₂H₂O	Oxirene	¹A₁	C_2v
1054	CH₂CO	Ketene	¹A₁	C_2v
1055	CH₂CO⁺	Ketene cation	²B₁	C_2v
1056	HCCOH	ethynol	¹A^'	C_s
1057	CH₂CS	Thioketene
1058	Be(OH)₂	Beryllium hydroxide
1059	Be(OH)₂	Beryllium hydroxide
1060	Be(OH)₂	Beryllium hydroxide
1061	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
1062	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
1063	NH₂NO	Nitrosamide	¹A	C₁
1064	CH₂O₂	Dioxirane	¹A₁	C_2v
1065	H₂COO	Dioxymethyl radical	²A^'	C_s
1066	H₂COO⁺	dioxymethyl cation	²A^'	C_s
1067	HCOOH	Formic acid	¹A^'	C_s
1068	HCOOH	Formic acid
1069	H₂O₃	Hydrogen trioxide	¹A	C₂
1070	HSSSH	trisulfane	¹A	C₂
1071	HSSSH	trisulfane	¹A^'	C_s
1072	NaOCH₃	Sodium methoxide	¹A₁	C_3v
1073	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
1074	BH₃CO	Borane carbonyl	¹A₁	C_3v
1075	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
1076	CH₂CHO	Vinyloxy radical	²A^"	C_s
1077	CH₂COH⁺	ketene, protonated
1078	CH₃CO	Acetyl radical	²A^'	C_s
1079	CH₃CO⁺	acetyl cation	¹A₁	C_3v
1080	CH₂NOH	formaldoxime	¹A^'	C_s
1081	CH₃NO	nitrosomethane	¹A^'	C_s
1082	CHONH₂	formamide	¹A^'	Planar
1083	CHONH₂	formamide	¹A	Non-Planar
1084	CNOH₃	1,2-oxaziridine	¹A	C₁
1085	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
1086	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
1087	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
1088	CHSNH₂	thioformamide
1089	NHCHSH	Methanimidothioic acid
1090	CH₂OOH	CH2OOH radical	²A	C₁
1091	CH₃OO	methylperoxy radical	²A^"	C_s
1092	CH₃OO^-	methylperoxy anion	¹A^'	C_s
1093	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
1094	C₂H₄O	Ethylene oxide	¹A₁	C_2v
1095	C₂H₄O⁺	ethylene oxide cation
1096	CH₂CHOH	ethenol	¹A^'	C_s
1097	CH₃CHO	Acetaldehyde	¹A^'	C_s
1098	CH₃CHO⁺	acetaldehyde cation
1099	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
1100	C₂H₄S	Thiirane	¹A₁	C_2v
1101	CH₂CHSH	Ethenethiol
1102	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
1103	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
1104	NH₂CHOH⁺	Formamide, O-protonated
1105	CH₂(OH)₂	methanediol	¹A	C₂
1106	CH₃OOH	Methyl peroxide	¹A	C₁
1107	CH₃SSH	Hydrogen methyl disulfide
1108	HSCH₂SH	Methanedithiol
1109	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
1110	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
1111	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
1112	CH₃CH₂O	Ethoxy radical	²A^'	C_s
1113	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
1114	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
1115	CH₃OCH₂	methoxymethyl radical	²A	C₁
1116	NH₂CH₂OH	aminomethanol
1117	CH₃CH₂OH	Ethanol	¹A^'	C_s
1118	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
1119	CH₃CH₂SH	ethanethiol	¹A^'	C_s
1120	CH₃CH₂SH	ethanethiol	¹A	C₁
1121	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
1122	CH₃SCH₃⁺	dimethyl sulfide cation
1123	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
1124	CuF₂	Copper difluoride	²Π_g	D_∞h
1125	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
1126	CNF	iso cyanogen fluoride	¹Σ	C_∞v
1127	FCN	Cyanogen fluoride	¹Σ	C_∞v
1128	BrCN	Cyanogen bromide	¹Σ	C_∞v
1129	FBO	Boron monofluoride monoxide
1130	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
1131	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
1132	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
1133	MgCl₂	Magnesium dichloride	¹Σ_g	C_2v
1134	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
1135	ZnCl₂	Zinc dichloride	¹Σ_G	D_∞h
1136	BeBr₂	Beryllium bromide
1137	CaBr₂	Calcium dibromide
1138	CaF₂	Calcium difluoride	¹Σ_g	C_2v
1139	FCO	Carbonyl fluoride	²A^'	C_s
1140	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
1141	ClCO	carbonyl monochloride	²A^'	C_s
1142	BF₂	Boron difluoride radical	²A₁	C_2v
1143	FNO	Nitrosyl fluoride	¹A^'	C_s
1144	ClNO	Nitrosyl chloride	¹A^'	C_s
1145	FNS	Thionitrosyl fluoride	¹A^'	C_s
1146	FSN	Thiazyl fluoride	¹A^'	C_s
1147	OPCl	Phosphorus oxychloride
1148	BrNO	Nitrosyl bromide	¹A^'	C_s
1149	CF₂	Difluoromethylene	¹A₁	D_∞h
1150	CF₂	Difluoromethylene	³B₁	C_2v
1151	CF₂^-	Difluoromethylene anion	²B₁	C_2v
1152	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
1153	CFCl	chlorofluoromethylene	¹A^'	C_s
1154	SiF₂	Silicon difluoride	¹A₁	C_2v
1155	SiF₂	Silicon difluoride	³B₁	C_2v
1156	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
1157	CCl₂	dichloromethylene	¹A₁	C_2v
1158	CCl₂^-	dichloromethylene anion	²B₁	C_2v
1159	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
1160	GeF₂	Germanium difluoride	¹A₁	C_2v
1161	GeCl₂	Germanium dichloride	¹A₁	C_2v
1162	CBr₂	dibromomethylene	¹A₁	C_2v
1163	CBr₂	dibromomethylene	³B₁	C_2v
1164	FOO⁺	Fluorine dioxide cation
1165	ClOO⁺	chloroperoxy cation	¹A^'	C_s
1166	OClO	Chlorine dioxide	²B₁	D_∞h
1167	OClO^-	Chlorine dioxide anion	¹A^'	C_s
1168	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
1169	ClSO	Sulfur chloride oxide	²A^"	C_s
1170	BrOO	Bromine dioxide
1171	OBrO	Bromine dioxide radical	²B₁	C_2v
1172	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
1173	PF₂	Phosphorus difluoride
1174	PF₂⁺	Phosphorus difluoride cation
1175	FClO	chlorosyl fluoride	¹A^'	C_s
1176	ClOF	Chlorine hypofluorite	¹A^'	C_s
1177	SF₂	sulfur difluoride	¹A₁	C_2v
1178	SF₂^-	sulfur difluoride anion	²A^'	C_s
1179	SF₂^-	sulfur difluoride anion	²Π	D_∞h
1180	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
1181	SCl₂	Sulfur dichloride	¹A₁	C_2v
1182	SeF₂	Selenium difluoride
1183	BrOCl	Bromine hypochlorite	¹A^'	C_s
1184	SeCl₂	Selenium Dichloride
1185	SBr₂	Sulfur dibromide
1186	SeBr₂	Selenium dibromide
1187	BrOBr	Bromine oxide	¹A₁	C_2v
1188	F₃^-	trifluoride anion	¹Σ_g	D_∞h
1189	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
1190	Br₃^-	tribromide anion
1191	SFCl	Sulfur chloride fluoride
1192	HCCF	Fluoroacetylene	¹Σ	C_∞v
1193	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
1194	HCCCl	Chloroacetylene	¹Σ	C_∞v
1195	HCCBr	bromoacetylene	¹Σ	C_∞v
1196	HFCO	formyl fluoride	¹A^'	C_s
1197	HFCO⁺	formyl fluoride cation	²A^'	C_s
1198	COHCl	Formyl chloride	¹A^'	C_s
1199	COHBr	Formyl bromide	¹A^'	C_s
1200	CHCl₂	dichloromethyl radical	²B₁	C_2v
1201	CHCl₂	dichloromethyl radical	²A^'	C_s
1202	CHF₂	difluoromethyl radical	²A	C_s
1203	CHF₂⁺	difluoromethyl cation
1204	CHFCl	Chlorofluoromethyl radical
1205	CHFCl⁺	Chlorofluoromethyl cation
1206	CHCl₂⁺	dichloromethyl cation
1207	CHBr₂	dibromomethyl radical
1208	HOClO	Chlorous acid	¹A	C₁
1209	NHF₂	difluoramine
1210	NHCl₂	dichloroamine
1211	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
1212	CH₂FCl	fluorochloromethane	¹A^'	C_s
1213	SiH₂F₂	difluorosilane
1214	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
1215	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
1216	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
1217	CH₂Br₂	dibromomethane	¹A₁	C_2v
1218	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
1219	CH₃MgBr	Methyl Magnesium Bromide
1220	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
1221	C₂H₃Br	vinyl bromide	¹A^'	C_s
1222	CH₂FOH	fluoromethanol
1223	CH₃OCl	methyl hypochlorite	¹A^'	C_s
1224	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
1225	CHClCH₃	1-chloroethyl radical	²A	C₁
1226	C₂H₅F	fluoroethane	¹A^'	C_s
1227	C₂H₅Br	Ethyl bromide	¹A^'	C_s
1228	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
1229	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
1230	C₄	Carbon tetramer	³Σ_g	D_∞h
1231	C₄	Carbon tetramer
1232	C₄⁺	Carbon tetramer cation	²Π_g	D_∞h
1233	C₄H₂	Diacetylene	¹Σ_g	D_∞h
1234	C₄H₂	Diacetylene	¹A_G	C_∞v
1235	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
1236	C₂H₃CCH	1-Buten-3-yne	¹A^'	C₁
1237	C₄H₄	cyclobutadiene	¹A_g	D_2h
1238	C₄H₄	Tetrahedrane
1239	H₂CCCCH₂	Butatriene	¹A_g	D_2h
1240	C₄H₆	1-Methylcyclopropene	¹A	C₁
1241	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
1242	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
1243	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
1244	C₄H₈	methylcyclopropane	¹A^'	C_s
1245	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
1246	CH₃CHCHCH₃	2-Butene, (E)-	¹A_g	C_2h
1247	CH₃CHCHCH₃	2-Butene, (Z)-	¹A₁	C_2v
1248	Al(CH₃)₃	trimethyl aluminum	¹A^'	C_3h
1249	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
1250	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
1251	Li₃N	trilithium nitride	¹A^'	D_3h
1252	Li₃N	trilithium nitride	¹A₁	C_3v
1253	C₂N₂	Cyanogen	¹Σ_g	D_∞h
1254	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
1255	As₄	Arsenic tetramer	¹A₁	T_d
1256	HCCCN	Cyanoacetylene	¹Σ	C_∞v
1257	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
1258	H₂CNCN	cyanamide, methylene
1259	HNCCNH	Ethenediimine
1260	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
1261	CH₃N₃	methyl azide	¹A^'	C_s
1262	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
1263	NH₂CCNH₂	Diaminoacetylene	¹A₁	D_2d
1264	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
1265	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
1266	C₂H₅CN	ethyl cyanide	¹A^'	C_s
1267	CH₅N₃	Guanidine	¹A	C₁
1268	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
1269	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
1270	H₂NCHCHNH₂	diaminoethylene
1271	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
1272	CH₆N₃⁺	guanidinium	¹A₁	D₃
1273	CH₇N₃	triaminomethane
1274	C₄H₈	cyclobutane	¹A₁	D_2d
1275	C₂H₈N₂	Ethylenediamine	¹A_g	C_2h
1276	CH₃NHNHCH₃	dimethyl hydrazine	¹A	C₂
1277	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
1278	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
1279	N(SiH₃)₃	trisilylamine
1280	As(CH₃)₃	trimethyl arsine	¹A₁	C_3v
1281	(CH₃)₃NH⁺	protonated trimethyl amine
1282	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
1283	Na₂O₂	disodium dioxide
1284	K₂O₂	dipotassium dioxide
1285	C₃O	Tricarbon monoxide	¹Σ	C_∞v
1286	ONNO	NO dimer	¹A_g	trans C2H
1287	ONNO	NO dimer	¹A₁	cis C2V
1288	S₂N₂	Disulfur dinitride	¹A_G	D_2h
1289	CO₃^--	carbonate	¹A₁^'	D_3h
1290	CS₃^--	Carbonotrithioate
1291	NO₃	Nitrogen trioxide	²B₂	one long, two short
1292	NO₃^-	nitrate anion	¹A₁^'	D_3h
1293	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
1294	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
1295	SO₃	Sulfur trioxide	¹A₁^'	D_3h
1296	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
1297	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
1298	SO₃^--	Sulfate dianion
1299	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
1300	SeO₃	selenium trioxide	¹A₁^'	D_3h
1301	S₄	Sulfur tetramer
1302	S₄	Sulfur tetramer
1303	S₄	Sulfur tetramer
1304	HCO₃^-	bicarbonate anion
1305	HNO₃	Nitric acid	¹A^'	C_s
1306	HSO₃	Hydroxysulfonyl radical	²A	C₁
1307	NH₂NO₂	nitramide	¹A^'	C_s
1308	C₃H₂O	Propadienal
1309	C₃H₂O	Propadienal
1310	C₂H₂O₂	Ethanedial	¹A_g	C_2h
1311	H₂CO₃	Carbonic acid	¹A₁	C_2v
1312	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
1313	H₂SO₃	Sulfurous acid	¹A^'	C_s
1314	CH₃NCO	methylisocyante
1315	HOCH₂CN	cyanomethanol
1316	CH₃COO^-	acetate anion	¹A^'	eclipsed
1317	CH₃NO₂	Methane, nitro-	¹A^'	C_s
1318	CH₃ONO	Methyl nitrite	¹A^'	C₁
1319	NH₂COOH	Carbamic acid	¹A^'	C_s
1320	NH₂COOH	Carbamic acid	¹A	C₁
1321	H₃BO₃	Boric acid	¹A^'	C_3h
1322	H₃AlO₃	Aluminum hydroxide
1323	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
1324	C₃H₄O	allenol	¹A^'	C_s
1325	CH₂CHCHO	Acrolein	¹A^'	C_s
1326	CH₂CHCHO	Acrolein
1327	NH₂CONH₂	Urea	¹A	C₂
1328	NH₂CONH₂	Urea	¹A^'	C_s
1329	NH₂CONH₂	Urea	¹A₁	C_2v
1330	C₂H₄O₂	1,3-dioxetane	¹A_g	D_2h
1331	CHOCH₂OH	hydroxy acetaldehyde	¹A^'	CS H in
1332	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
1333	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
1334	CH₃COCH₂	Acetonyl radical	²A^"	C_s
1335	CH₂C(OH)NH₂	1-amino vinyl alchohol
1336	CH₃C(OH)=NH	Ethaninidic acid
1337	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
1338	HCONHCH₃	N-methylformamide	¹A^'	CS cis
1339	HCONHCH₃	N-methylformamide	¹A^'	CS trans
1340	CH₃CSNH₂	Ethanethioamide
1341	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
1342	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
1343	C₂H₅OO	ethylperoxy radical	²A^'	C_s
1344	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
1345	C₃H₅OH	Cyclopropanol	¹A	C₁
1346	C₃H₆O	2-Propen-1-ol	¹A	C₁
1347	C₃H₆O	Acetone enol	¹A^'	C_s
1348	C₃H₆O	Oxetane	¹A₁	C_2v
1349	C₃H₆O	Oxetane	¹A^'	C_s
1350	CH₃CH₂CHO	Propanal	¹A^'	C_s
1351	CH₃COCH₃	Acetone	¹A₁	C_2v
1352	CH₃COCH₃^-	acetone anion	²A^'	C_s
1353	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
1354	CH₃OOCH₃	dimethylperoxide	¹A_g	C_2h
1355	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
1356	CH₃SSCH₃	Disulfide, dimethyl	¹A	C₂
1357	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
1358	C₃H₇OH	1-Propanol	¹A^'	C_s
1359	C₃H₇OH	1-Propanol
1360	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
1361	Li₂F₂	Lithium fluoride dimer
1362	C₂F₂	difluoroacetylene	¹Σ_g	D_∞h
1363	C₂Cl₂	dichloroacetylene	¹Σ_g	C_2h
1364	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
1365	FNO₂	Nitryl fluoride	¹A₁	C_2v
1366	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
1367	ClONO	chlorine nitrite	¹A^'	CS cis
1368	BrONO	Bromine nitrite	¹A^'	CS trans
1369	CF₂O	Carbonic difluoride	¹A₁	C_2v
1370	CF₂O⁺	Carbonic difluoride cation
1371	COFCl	Carbonic chloride fluoride	¹A^'	C_s
1372	Cl₂CS	Thiophosgene	¹A₁	C_2v
1373	COBr₂	Carbonic dibromide	¹A₁	C_2v
1374	BF₃	Borane, trifluoro-	¹A^'	D_3h
1375	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
1376	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
1377	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
1378	BF₃⁺	boron trifluoride cation	²B₂	C_2v
1379	BF₃⁺	boron trifluoride cation
1380	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1381	BClF₂	Chlorodifluoroborane
1382	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
1383	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1384	BCl₃⁺	Boron Trichloride cation
1385	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1386	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1387	BBr₃	Boron tribromide	¹A₁^'	D_3h
1388	ClO₃^-	chlorate anion	¹A₁	C_3v
1389	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1390	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1391	CF₂Cl	difluorochloromethyl radical
1392	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1393	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1394	CFCl₂	dichlorofluoromethyl radical
1395	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
1396	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
1397	SiCl₃	trichlorosilyl radical	²A₁	C_3v
1398	SiCl₃⁺	trichlorosilyl cation	¹A₁^'	D_3h
1399	CBr₃	tribromomethyl radical
1400	FOOF	Perfluoroperoxide	¹A	C₂
1401	ClO₂F	Chloryl fluoride	¹A^'	C_s
1402	F₂SO	Thionyl Fluoride	¹A^'	C_s
1403	ClOOCl	Dichlorine dioxide	¹A	C₂
1404	FSSF	Difluorodisulfane	¹A	C₂
1405	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
1406	SOCl₂	thionyl chloride	¹A^'	C_s
1407	SSCl₂	Thiothionyl chloride
1408	SeOCl₂	selenium oxychloride	¹A^'	C_s
1409	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1410	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
1411	NF₃^-	Nitrogen trifluoride anion	²A	C_s
1412	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
1413	NCl₃	nitrogen trichloride	¹A₁	C_3v
1414	AsF₃	Arsenic trifluoride	¹A₁	C_3v
1415	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1416	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1417	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1418	ClSSCl	Disulfur dichloride	¹A	C₂
1419	SF₃	Sulfur trifluoride	²A^'	C_s
1420	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1421	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1422	BrF₃	Bromine trifluoride	¹A₁	C_2v
1423	HClO₃	Chloric Acid	¹A^'	C_s
1424	HClO₃	Chloric Acid	¹A	C₁
1425	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1426	CHF₂Cl	difluorochloromethane	¹A^'	C_s
1427	SiHF₃	trifluorosilane
1428	CHFCl₂	fluorodichloromethane	¹A^'	C_s
1429	CDCl₃	trichloromethane-d	¹A₁	C_3v
1430	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1431	CHFClBr	fluorochlorobromomethane	¹A	C₁
1432	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1433	CHBr₂F	dibromofluoromethane
1434	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
1435	CHBr₃	bromoform	¹A₁	C_3v
1436	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1437	AsF₃H⁺	Arsenic trifluoride, protonated
1438	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	¹A_g	C_2h
1439	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	¹A₁	C_2v
1440	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1441	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1442	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1443	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1444	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1445	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
1446	CH₂ClCHO	chloroacetaldehyde	¹A^'	CS eclipsed, cis
1447	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1448	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1449	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1450	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1451	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1452	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1453	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1454	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1455	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1456	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1457	CH₂CHCH₂F	Allyl Fluoride
1458	CH₂CHCH₂F	Allyl Fluoride
1459	CH₃CHCHF	trans-1-Fluoro-1-propene
1460	C₃H₅Cl	1-Propene, 3-chloro-	¹A	C₁
1461	C₃H₅Cl	1-chloro-1-propene(E)	¹A^'	C_s
1462	C₃H₅Cl	1-chloro-1-propene(Z)	¹A^'	C_s
1463	CH₂FCH₂OH	2-fluoroethanol
1464	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1465	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1466	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1467	CH₂FCH₂CH₃	1-Fluoropropane
1468	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1469	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A^'	anti
1470	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A	gauche
1471	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1472	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
1473	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
1474	B₅H₉	pentaborane9
1475	C₅H₄	pentatetraene
1476	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1477	C₅H₅^-	cylopentadienyl anion	¹A₁^'	D_5h
1478	C₅H₆	1,3-Cyclopentadiene	¹A₁	C_2v
1479	C₅H₆	Bicyclo[2.1.0]pent-2-ene	¹A^'	C_s
1480	C₅H₆	Propellane	¹A₁	D_3h
1481	C₅H₇	cyclopentenyl radical	²A₂	C_2v
1482	C₅H₈	1,3-Pentadiene, (Z)-	¹A^'	C_s
1483	C₅H₈	1,4-Pentadiene	¹A	C₂
1484	C₅H₈	1-pentyne	¹A^'	C_s
1485	C₅H₈	Bicyclo[1.1.1]pentane
1486	C₅H₈	Cyclobutane, methylene-	¹A^'	C_s
1487	C₅H₈	Cyclopentene	¹A^'	C_s
1488	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1489	C₅H₁₀	2-Butene, 2-methyl-	¹A^'	C_s
1490	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	¹A₁	C₁
1491	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1492	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1493	Si(CH₃)₄	tetramethylsilane	¹A₁	T_d
1494	N₂O₃	Dinitrogen trioxide	¹A^'	C_s
1495	C₃H₂N₂	Malononitrile	¹A₁	C_s
1496	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1497	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1498	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1499	C₄H₄N	pyrrolide radical	²A₂	C_2v
1500	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1501	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1502	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1503	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1504	C₄H₅N	Pyrrole	¹A₁	C_2v
1505	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1506	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1507	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1508	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1509	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1510	C₅H₈	Bicyclo[2.1.0]pentane	¹A^'	C_s
1511	C₄H₉N	Pyrrolidine	¹A^'	C_s
1512	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	¹A^'	C_s
1513	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1514	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1515	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1516	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
1517	B₂O₃	diboron trioxide
1518	B₂O₃	diboron trioxide
1519	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1520	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1521	CaCO₃	Calcium Carbonate	¹A₁	C_2v
1522	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1523	PO₄^---	phosphate	¹A₁	T_d
1524	SO₄^--	sulfate	¹A₁	T_d
1525	HOONO₂	peroxy nitric acid	¹A	C₁
1526	HSO₄^-	bisulfate anion	¹A^'	C_s
1527	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1528	CHOCOOH	oxo acetic acid	¹A^'	C_s
1529	CHOOCHO	diformyl ether
1530	H₂SeO₄	Selenic acid	¹A	C₂
1531	C₃H₃NO	Isoxazole	¹A^'	C_s
1532	C₃H₃NO	Oxazole	¹A^'	C_s
1533	C₃H₃NS	Thiazole
1534	H₃PO₄	Phosphoric Acid	¹A	C₃
1535	C₄H₄O	Furan	¹A₁	C₂
1536	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1537	C₄H₄Se	selenophene
1538	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1539	C₃H₄O₂	propanedial	¹A	C₁
1540	C₃H₄O₂	propenalol	¹A^'	C_s
1541	HOCHCCHOH	allenediol	¹A	C₂
1542	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1543	C₂H₄O₃	trioxolane124	¹A	C₂
1544	HOCH₂COOH	Hydroxyacetic acid	¹A	C_s
1545	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1546	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1547	H₂NCH₂COOH	Glycine	¹A^'	C_s
1548	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1549	C₄H₆O	cis-2-butenal	¹A	C_s
1550	C₄H₆O	Cyclobutanone	¹A₁	C_2v
1551	C₄H₆O	Furan, 2,5-dihydro-	¹A₁	C_s
1552	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1553	C₄H₆S	Thiophene, 2,5-dihydro-	¹A₁	C_2v
1554	CH₂CHSCHCH₂	Divinyl sulfide
1555	C₃H₆O₂	1,3-Dioxolane	¹A	C₂
1556	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1557	CH₃COOCH₃	methyl acetate	¹A^'	C_s
1558	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1559	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1560	CH₃SSSCH₃	dimethyl trisulfide	¹A	C₂
1561	C₃H₇NO	dimethylformamide	¹A^'	C_s
1562	C₄H₈O	Cyclobutanol	¹A^'	C₁
1563	CH₃COCH₂CH₃	2-Butanone	¹A	C₁
1564	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1565	C₃H₈O₂	1,3-Propanediol	¹A₁	C₁
1566	C₄H₁₀O	1-Butanol	¹A^'	C_s
1567	C₄H₁₀O	1-Propanol, 2-methyl-	¹A	C₁
1568	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1569	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1570	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1571	C₄H₉SH	1-Butanethiol
1572	ClONO₂	Chlorine nitrate	¹A^'	C_s
1573	BrONO₂	Bromine nitrate	¹A^'	C_s
1574	TiCl₄	Titanium tetrachloride	¹A₁	T_d
1575	ClO₄^-	perchlorate anion	¹A₁	T_d
1576	BF₄^-	tetrafluoroboron anion	¹A₁	T_d
1577	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1578	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1579	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1580	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1581	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1582	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1583	CCl₄	Carbon tetrachloride	¹A₁	T_d
1584	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
1585	CBrCl₂F	bromodichlorofluoromethane
1586	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1587	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1588	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1589	CBr₂ClF	dibromochlorofluoromethane
1590	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1591	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1592	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1593	CBr₄	Carbon tetrabromide	¹A₁	T_d
1594	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1595	GeBr₄	Germanium tetrabromide
1596	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1597	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1598	SeF₄	Selenium tetrafluoride
1599	SCl₄	Sulfur tetrachloride
1600	C₂HF₃	Trifluoroethylene	¹A^'	C_s
1601	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
1602	HClO₄	perchloric acid	¹A	C_s
1603	CF₃OH	trifluoromethanol	¹A^'	C_s
1604	CH₂ClCCCl	1,3-dichloropropyne
1605	CHCl₂CCH	3,3-dichloropropyne
1606	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
1607	CHCl₂CHO	dichloroacetaldehyde
1608	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1609	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1610	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1611	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
1612	CH₂ClCHCl₂	1,1,2-trichloroethane	¹A	C₁
1613	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1614	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1615	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1616	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1617	CH₂FCH₂CH₂F	1,3-difluoropropane
1618	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1619	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1620	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1621	C₂H₂N₂O	Furazan
1622	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1623	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1624	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1625	C₆H₄	Benzyne	¹A₁	C_2v
1626	C₆H₅	phenyl	²A₁	C_2v
1627	C₆H₅^-	phenyl anion	¹A₁	C_2v
1628	C₆H₆	Prismane
1629	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1630	C₆H₆	Benzene	¹A_1g	D_6h
1631	C₆H₆	Benzvalene	¹A₁	C_2v
1632	C₆H₆	Dewar Benzene
1633	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1634	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1635	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1636	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1637	C₆H₈	1,4-Cyclohexadiene	¹A_g	C_2v
1638	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	¹A_g	D_2h
1639	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1640	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1641	C₆H₁₀	cyclohexene	¹A	C₂
1642	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	¹A^'	C_s
1643	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1644	C₆H₁₂	(E)-2-Hexene	¹A	C₁
1645	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1646	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1647	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1648	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1649	C₆H₁₂	Cyclohexane	¹A_1g	Chair
1650	C₆H₁₂	Cyclohexane	¹A	twist boat
1651	C₆H₁₂	hex-1-ene	¹A^'	C_s
1652	C₆H₁₄	Butane, 2,3-dimethyl-	¹A_g	C_2h
1653	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1654	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1655	C₂H₂N₄	sym-tetrazine	¹A_g	D_2h
1656	C₄H₄N₂	Pyrazine	¹A_g	D_2h
1657	C₂H₄N₄	1H-Tetrazole, 1-methyl-	¹A^'	C_s
1658	B₃N₃H₆	borazine	¹A₁^'	D_3h
1659	C₆H₆	Fulvene	¹A₁	C_2v
1660	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1661	C₅H₇N	Cyclobutanecarbonitrile	¹A^'	C_s
1662	C₆H₁₀	Bicyclo[3.1.0]hexane	¹A^'	C_s
1663	C₅H₁₁N	Piperidine	¹A^'	NH axial
1664	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1665	C₂O₄^--	oxalate anion	¹A₁	D_2d
1666	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1667	C₃H₂O₃	vinylene carbonate
1668	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1669	C₂H₃NO₃	Oxamic acid	¹A^'	H out
1670	C₂H₃NO₃	Oxamic acid	¹A^'	H in
1671	C₂H₄N₂O₂	Oxalamide	¹A_g	C_2h
1672	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1673	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1674	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1675	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1676	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1677	C₅H₆O	2H-Pyran
1678	C₅H₆O	2-methylfuran	¹A^'	C_s
1679	C₅H₆O	3-Methylfuran	¹A^'	C_s
1680	C₅H₆O	Pentadienal
1681	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1682	C₄H₆O₂	2,3-Butanedione	¹A_g	C_2h
1683	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1684	C₄H₆OS	Vinyl sulfoxide	¹A^'	C_s
1685	C₂H₆N₂O₂	(E)-Azodioxymethane	¹A_g	C_2h
1686	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1687	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1688	C₄H₇NO	2-Pyrrolidinone	¹A	C₁
1689	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1690	C₃H₇ONO	Propyl nitrite	¹A^'	C_s
1691	C₃H₇ONO	Propyl nitrite	¹A	C₁
1692	CH₃CH(NH₂)COOH	Alanine	¹A	C₁
1693	CH₃NHCH₂COOH	Sarcosine	¹A	C₁
1694	NH₂CH₂CH₂COOH	β–alanine	¹A	C₁
1695	C₅H₈O	Cyclopentanone	¹A	C₂
1696	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1697	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1698	C₄H₈O₂	1,3-Dioxane	¹A^'	C_s
1699	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1700	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1701	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1702	C₅H₁₀O	Pentanal	¹A^'	C₁
1703	C₅H₁₀S	2H-Thiopyran, tetrahydro-	¹A^'	C_s
1704	C₅H₁₂O	3-Pentanol	¹A	C₁
1705	C₄F₂	difluorobutadiyne
1706	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1707	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1708	C₂ClF₃	Ethene, chlorotrifluoro-
1709	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1710	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1711	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1712	C₂Br₄	tetrabromoethene
1713	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1714	SiF₅^-	silicon pentafluoride anion
1715	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1716	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1717	AsF₅	Arsenic pentafluoride	¹A₁^'	D_3h
1718	SF₅	Sulfur pentafluoride	²A₁	C_4v
1719	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1720	BrF₅	bromine pentafluoride	¹A₁	C_4v
1721	ClF₅	chlorinepentafluoride	¹A₁	C_4v
1722	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
1723	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
1724	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1725	CF₃CH₂F	1,1,1,2-tetrafluoroethane	¹A^'	C_s
1726	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1727	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
1728	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1729	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1730	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1731	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1732	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1733	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1734	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1735	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1736	C₄H₈O₂	Butanoic acid	¹A	C₁
1737	C₆H₅CH₂	benzyl radical	²B₁	C_s
1738	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1739	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1740	C₆H₅CH₃	toluene	¹A^'	C_s
1741	C₇H₈	Norbornadiene	¹A₁	C_2v
1742	C₇H₁₂	Norbornane	¹A₁	C_2v
1743	C₇H₁₄	cycloheptane	¹A	C₂
1744	C₇H₁₆	2-methylhexane	¹A	C₁
1745	C₇H₁₆	heptane	¹A₁	C_2v
1746	CH(CN)₃	tricyanomethane
1747	HN=C=C(CN)₂	Dicyanoketenimine
1748	C₆H₁₃N	2-Methylpiperidine	¹A	C₁
1749	C₆H₁₃N	cyclohexanamine	¹A	C₁
1750	C₆H₁₅N	triethylamine	¹A	C₃
1751	C₄H₂O₃	Maleic Anhydride	¹A₁	C_2v
1752	C₅H₄O₂	4-Cyclopentene-1,3-dione	¹A₁	C_2v
1753	C₅H₄O₂	furfural	¹A^'	OCCO cis
1754	C₅H₄O₂	furfural	¹A^'	OCCO trans
1755	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1756	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1757	C₅H₈O₂	Acetylacetone	¹A	C₂
1758	C₇H₁₀	Norbornene
1759	C₆H₁₀O	cyclohexanone	¹A^'	C_s
1760	C₆H₁₂O	Oxepane
1761	C₃H₇OC₃H₇	di-n-propyl ether	¹A₁	C_2v
1762	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
1763	F₂CCCF₂	tetrafluoroallene
1764	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1765	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1766	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1767	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1768	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1769	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1770	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1771	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1772	C₆H₅F	Fluorobenzene	¹A₁	C_2v
1773	C₆H₅Cl	chlorobenzene	¹A₁	C_2v
1774	C₆H₅Br	bromobenzene	¹A₁	C_2v
1775	C₈H₆	Calicene	¹A₁	C_2v
1776	C₆H₅CCH	phenylacetylene	¹A₁	C_2v
1777	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1778	C₈H₆	Pentalene	¹A_g	C_2h
1779	C₆H₅CHCH₂	Styrene	¹A^'	C_s
1780	C₈H₈	cubane	¹A_1G	O_h
1781	C₈H₈	cyclooctatetraene	¹A₁	D_2d
1782	C₆H₅CH₂CH₃	Ethylbenzene	¹A^'	C_s
1783	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1784	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁	D₃
1785	C₈H₁₆	cyclooctane	¹A₁	D_4d
1786	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1787	C₆H₅CN	phenyl cyanide	¹A₁	C_2v
1788	C₆H₁₂N₂	Triethylenediamine	¹A₁^'	D_3h
1789	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
1790	S₄N₄	Tetrasulfur tetranitride
1791	S₈	Octasulfur	¹A₁	D_4d
1792	C₆H₄O₂	parabenzoquinone	¹A_g	D_2h
1793	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1794	C₆H₅OCH₃	Anisole	¹A^'	C_s
1795	C₅H₉NO₂	Proline	¹A	C₁
1796	C₆H₁₂O₂	Methyl pivalate	¹A	C₁
1797	C₆H₁₂O₂	Hexanoic acid	¹A₁	C_s
1798	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1799	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1800	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1801	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
1802	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h
1803	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	¹A	C₁
1804	C₂F₆	hexafluoroethane	¹A_1g	D_3d
1805	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1806	C₆H₄F₂	orthodifluorobenzene	¹A₁	C_2v
1807	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1808	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1809	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1810	C₆H₄Cl₂	1,4-dichlorobenzene
1811	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1812	C₉H₈	Indene	¹A^'	C_s
1813	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1814	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1815	C₉H₂₀	Nonane	¹A₁	C_2v
1816	C(CN)₄	tetracyanomethane	¹A₁	T_d
1817	C₅H₄N₄	purine	¹A	C_s
1818	C₈H₇N	Indole	¹A^'	C_s
1819	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1820	C₆H₅COOH	benzoic acid	¹A^'	C_s
1821	CH₃COC₆H₅	acetophenone	¹A	C₁
1822	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	¹A₁^'	D_3h
1823	C₃F₆	hexafluoropropene
1824	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1825	C₈H₁₈O	1-Octanol
1826	C₁₀H₈	Azulene	¹A₁	C_2v
1827	C₁₀H₈	naphthalene	¹A_g	D_2h
1828	C₁₀H₁₀	bullvalene
1829	C₁₀H₁₆	adamantane	¹A₁	T_d
1830	C₆N₄	Tetracyanoethylene	¹A_G	D_2h
1831	C₁₀H₂₂	Decane	¹A_G	C_2h
1832	C₄F₆	perfluorobutadiene	¹A_g	C_2h
1833	C₄F₆	perfluorobutadiene	¹A	C₂
1834	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	¹A^'	C_s
1835	C₃F₈	perfluoropropane	¹A₁	C_2v
1836	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1837	C₁₂H₈	biphenylene	¹A_g	D_2h
1838	C₁₂H₁₀	biphenyl	¹A	D₂
1839	C₁₂H₁₀	Heptalene	¹A	C₂
1840	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
1841	C₆F₆	hexafluorobenzene	¹A_1G	D_6h
1842	S₂F₁₀	disulphur decafluoride
1843	C₁₃H₁₀	Fluorene
1844	C₁₄H₁₀	Anthracene	¹A_g	D_2h
1845	C₁₄H₁₄	Bibenzyl	¹A	C₂
1846	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1847	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1848	C₁₆H₁₀	Pyrene	¹A_g	D_2h
1849	C₁₉H₁₆	Triphenylmethane	¹A	C₃
1850	C₆₀	Buckminsterfullerene	¹A_G	I_h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	HD	Deuterium hydride	hd
7	HeH	Helium hydride	heh
8	Zn^-	Zinc atom anion	zn-
9	Zn⁺	Zinc atom cation	zn+
10	AlH	aluminum monohydride	alh
11	BH₂	boron dihydride	bh2
12	AlH₂	aluminum dihydride	alh2
13	Ti^-	Titanium atom anion	ti-
14	Ti⁺	Titanium atom cation	ti+
15	Sn	Tin atom	sn
16	Sn⁺	Tin cation	sn+
17	SiH₂	silicon dihydride	sih2
18	SiH₄⁺	Silane cation	sih4+
19	SnH₄	Stannane	snh4
20	Sb	Antimony atom	sb
21	NH	Imidogen	nh
22	SbH	Antimony monohydride	sbh
23	ND₂	Amidogen-d2	nd2
24	PH₂	Phosphino radical	ph2
25	ND₃	Ammonia-d3	nd3
26	SbH₃	Stibine	sbh3
27	Cr	Chromium atom	cr
28	Te	Tellurium atom	te
29	Te⁺	Tellurium atom cation	te+
30	DO	Hydroxyl-d	od
31	DS	Mercapto-d	ds
32	TeH	Telluryl radical	teh
33	D₂O	Deuterium oxide	d2o
34	D₂S	Hydrogen sulfide-d2	d2s
35	H₂Te	Hydrogen Telluride	h2te
36	Mn	Manganese atom	mn
37	I	Iodine atom	iodine
38	I^-	Iodine atom anion	iodine-
39	I⁺	Iodine atom cation	iodine+
40	DCl	Hydrochloric acid-d	dcl
41	HI	Hydrogen iodide	hi
42	HI⁺	Hydrogen iodide cation	hi+
43	H₂I⁺	Iodonium	h2i+
44	Fe	Iron atom	fe
45	Xe	Xenon atom	xe
46	XeH⁺	Xenon, protonated	xeh+
47	Co	Cobalt atom	cobalt
48	Ni	Nickel atom	ni
49	CH₃SiH₃	methyl silane	ch3sih3
50	CP	Carbon monophosphide	cp
51	SiN	Silicon nitride	sin
52	TiN	Titanium mononitride	tin
53	SbN	Antimony nitride	sbn
54	HCP	Phosphaethyne	hcp
55	HPO	Hydrogen phosphorus oxide	hpo
56	P₂H₄	Diphosphine	p2h4
57	CH₃PH₂	Methyl phosphine	ch3ph2
58	BeS	beryllium sulfide	bes
59	MgO	magnesium oxide	mgo
60	MgS	magnesium sulfide	mgs
61	AlO	Aluminum monoxide	alo
62	BS	boron sulfide	bs
63	AlS	Aluminum sulfide	als
64	SeO⁺	selenium monoxide cation	seo+
65	TeO	Tellurium monoxide	teo
66	Te₂	Tellurium diatomic	te2
67	NaOH	sodium hydroxide	naoh
68	MgOH	magnesium hydroxide	mgoh
69	CH₃O	Methoxy radical	ch3o
70	CH₃S	thiomethoxy	ch3s
71	H₂ONH₃	Water Ammonia Dimer	h2onh3
72	LiI	Lithium Iodide	lii
73	NaI	Sodium Iodide	nai
74	KI	Potassium Iodide	ki
75	BeF	Beryllium monofluoride	bef
76	BeCl	beryllium monochloride	becl
77	MgF	Magnesium monofluoride	mgf
78	MgCl	magnesium monochloride	mgcl
79	ZnF^-	Zinc monofluoride anion	znf-
80	ZnF⁺	Zinc monofluoride cation	znf+
81	BCl	boron monochloride	bcl
82	AlI	Aluminum monoiodide	ali
83	CCl	carbon monochloride	ccl
84	NF	nitrogen fluoride	nf
85	PF	phosphorus monofluoride	pf
86	PCl	phosphorus chloride	pcl
87	SbF	Antimony monofluoride	sbf
88	SbCl	Antimony monochloride	sbcl
89	IO	Iodine monoxide	io
90	ClF^-	clorine monofluoride anion	clf-
91	IF	Iodine monofluoride	if
92	ICl	Iodine monochloride	icl
93	IBr	Iodine monobromide	ibr
94	I₂	Iodine diatomic	i2
95	I₂⁺	Iodine diatomic cation	i2+
96	DOCl	Hypochlorous acid-d	docl
97	HOI	Hypoiodous acid	hoi
98	FHF	Hydrogen difluoride	fhf
99	H₂F₂	Hydrogen fluoride dimer	h2f2
100	CH₃I	methyl iodide	ch3i
101	SiH₃I	Silyl Iodide	sih3i
102	C₃H₃	Propargyl radical	propargyl
103	CuCN	Copper cyanide	cucn
104	HCNN	diazomethyl radical	hcnn
105	C₂H₅N	Aziridine	c2h5n
106	NH₂BHNH₂	diaminoborane	nh2bhnh2
107	CH₃NHCH₃	Dimethylamine	ch3nhch3
108	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
109	BO₂	Boron dioxide	bo2
110	SiO₂	silicon dioxide	sio2
111	SCTe	Carbon sulfide Telluride	scte
112	TeO₂	Tellurium Dioxide	teo2
113	CS₂H⁺	Carbon disulfide, protonated	cs2h+
114	HNNO	nitrosoazane	hnno
115	HNO₂	Nitrous acid	hno2
116	CH₃CO^-	Acetyl anion	ch3co-
117	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
118	H₂OH₂CO	water formaldehyde dimer	h2oh2co
119	CH₃OHH₂O	methanol water dimer	ch3ohh2o
120	H₂OCH₃OH	water methanol dimer	h2och3oh
121	ClCN	chlorocyanogen	clcn
122	ICN	Cyanogen iodide	icn
123	INO	Nitrosyl iodide	ino
124	SiCl₂	Dichlorosilylene	sicl2
125	FOO	Dioxygen monofluoride radical	foo
126	ClOO	chloroperoxy radical	cloo
127	ClS₂	Sulfur chloride	cls2
128	NF₂	Difluoroamino radical	nf2
129	F₂O	Difluorine monoxide	f2o
130	Cl₂O	Dichlorine monoxide	cl2o
131	I₃^-	triiodide	i3-
132	BHF₂	Difluoroborane	bhf2
133	BHCl₂	Borane, dichloro-	bhcl2
134	CH₂FI	fluoroiodomethane	ch2fi
135	CH₂ClI	chloroiodomethane	ch2cli
136	CH₂BrI	bromoiodomethane	ch2bri
137	CH₂I₂	Diiodomethane	ch2i2
138	CH₂CHF⁺	fluoroethene cation	ch2chf+
139	C₂H₃Cl	Ethene, chloro-	ch2chcl
140	C₂H₃I	Vinyl iodide	c2h3i
141	CH₃CH₂Cl	Ethyl chloride	c2h5cl
142	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
143	C₂H₅I	Ethyl iodide	c2h5i
144	XeF₂	Xenon difluoride	xef2
145	C₄H₆	Cyclobutene	c822355
146	C₄H₆	Methylenecyclopropane	c6142730
147	CH₂CCHCH₃	1,2-Butadiene	butad12
148	CH₃CCCH₃	2-Butyne	c503173
149	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
150	B(CH₃)₃	trimethylborane	bme3
151	C(CH₃)₃	Tert-butyl radical	tbutyl
152	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
153	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
154	CH₃CH(CH₃)CH₃	Isobutane	isobutane
155	SiH(CH₃)₃	trimethylsilane	trimsi
156	P₄	Phosphorus tetramer	p4
157	C₃H₃N	acrylonitrile	ch2chcn
158	C₃H₇N	Cyclopropylamine	cpram
159	C₃H₇N	Azetidine	azet
160	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
161	N(CH₃)₃	Trimethylamine	trimeam
162	Li₂O₂	dilithium dioxide	li2o2
163	B₂O₂	Diboron dioxide	b2o2
164	CO₃	Carbon trioxide	co3
165	TeO₃	Tellurium trioxide	teo3
166	C₂H₂CO	cyclopropenone	c2h2co
167	HCCCHO	2-propynal	hcccho
168	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
169	H₂CS₃	thiocarbonic acid	h2cs3
170	C₂H₃NO	Nitrosoethylene	c2h3no
171	C₃H₄O	2-Propyn-1-ol	c107197
172	C₃H₄O	Cyclopropanone	cpone
173	C₃H₄O	Methylketene	c6004440
174	NH₂CONH₂⁺	Urea cation	urea+
175	NH₂CSNH₂	Thiourea	thiourea
176	CH₃COOH	Acetic acid	ch3cooh
177	CH₃OCHO	methyl formate	ch3ocho
178	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
179	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
180	HCOOHH₂O	Formic acid water dimer	hcoohh2o
181	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
182	CH₃CONH₂	Acetamide	acetamide
183	C₃H₆O	Propylene oxide	prox
184	C₃H₆S	Thietane	thietane
185	C₃H₆S	Thiirane, methyl-	methiirane
186	C₂H₆O₂	1,2-Ethanediol	ethdiol
187	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
188	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
189	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
190	C₃H₇SH	1-Propanethiol	prsh
191	CH₃CHSHCH₃	2-Propanethiol	isoprsh
192	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
193	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
194	Na₂F₂	Sodium Fluoride Dimer	na2f2
195	Na₂Cl₂	Disodium dichloride	na2cl2
196	ClNO₂	Nitryl chloride	clno2
197	N₂F₂	(Z)-Difluorodiazene	n2f2_z
198	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
199	CCl₂O	Phosgene	cl2co
200	AlF₂Cl	Aluminum chloride difluoride	alclf2
201	AlFCl₂	Aluminum dichloride fluoride	alcl2f
202	AlCl₃	Aluminum trichloride	alcl3
203	AlBr₃	Aluminum Bromide	albr3
204	ClO₃	Chlorine trioxide	clo3
205	BrO₃^-	Bromate anion	bro3-
206	CF₃	Trifluoromethyl radical	cf3
207	CCl₃	Trichloromethyl radical	ccl3
208	PF₃	Phosphorus trifluoride	pf3
209	PCl₃	Phosphorus trichloride	pcl3
210	SbF₃	Antimony Trifluoride	sbf3
211	SbCl₃	Antimony Trichloride	sbcl3
212	AsBr₃	Arsenic tribromide	asbr3
213	NI₃	Nitrogen triiodide	ni3
214	PI₃	Phosphorus triiodide	pi3
215	IF₃	iodone trifluoride	if3
216	CHCl₃	Chloroform	chcl3
217	SiHCl₃	Trichlorosilane	sihcl3
218	CHF₂I	difluoroiodomethane	chf2i
219	CHFClI	fluorochloroiodomethane	chfcli
220	CHCl₂I	dichloroiodomethane	chcl2i
221	CHI₃	Iodoform	chi3
222	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
223	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
224	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
225	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
226	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
227	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
228	CH₃COF	Acetyl fluoride	ch3cof
229	CH₃COCl	Acetyl Chloride	ch3cocl
230	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
231	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
232	CH₂CFCH₃	2-fluoropropene	2fpro
233	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
234	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
235	C₅H₆	3-Penten-1-yne, (E)-	c2004695
236	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
237	C₅H₆	Cyclopropylacetylene	c6746947
238	C₅H₇	1,3-pentadienyl radical	pdyl
239	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
240	C₅H₈	1,2-Pentadiene	c591957
241	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
242	C₅H₈	1,3-Pentadiene, (E)-	c2004708
243	C₅H₈	2,3-Pentadiene	c591968
244	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
245	C₅H₁₀	1-Butene, 2-methyl-	c563462
246	C₅H₁₀	2-Pentene, (E)-	c646048
247	C₅H₁₀	2-Pentene, (Z)-	c627203
248	C₅H₁₀	Cyclopentane	c287923
249	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
250	C₅H₁₂	Butane, 2-methyl-	buta2
251	C₅H₁₂	Pentane	pentane
252	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
253	C₂H₃N₃	1H-1,2,4-Triazole	c288880
254	C₃H₄N₂	1H-Pyrazole	1hpyraz
255	C₄H₅N	(E)-2-Butenenitrile	c627269
256	C₄H₅N	(Z)-2-Butenenitrile	c1190767
257	C₄H₅N	2H-pyrrole	pyrrole2
258	C₄H₅N	3H-pyrrole	pyrrole3
259	C₄H₅N	Cyclopropanecarbonitrile	c5500210
260	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
261	C₃H₆N₂	3-Aminopropionitrile	c151188
262	C₅H₈	Spiropentane	c157404
263	C₄H₉N	Cyclobutylamine	cbam
264	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
265	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
266	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
267	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
268	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
269	H₂SO₄	Sulfuric acid	h2so4
270	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
271	CH₃NO₃	Methyl nitrate	ch3no3
272	C₄H₄O	Furan	furan
273	C₄H₄O⁺	Furan cation	furan+
274	C₄H₄S	Thiophene	furans
275	C₃H₄O₂	β–Propiolactone	beta
276	C₃H₄O₂	2-Propenoic acid	propenoic2
277	CH₂CHCONH₂	Acrylamide	c79061
278	CH₅N₃S	Hydrazinecarbothioamide	c79196
279	C₄H₆O	Furan, 2,3-dihydro-	furan23h
280	CHOCHCHCH₃	2-Butenal	butenal2
281	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
282	C₂H₆N₂O	Urea, methyl-	c598505
283	C₃H₇NO	Propanamide	propanam
284	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
285	C₄H₈O	Furan, tetrahydro-	thf
286	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
287	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
288	CHOCH₂CH₂CH₃	Butanal	butanal
289	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
290	C₃H₈O₂	Methane, dimethoxy-	c109875
291	C₃H₈O₂	Propylene glycol	c57556
292	C₃H₈S₂	1,3-Propanedithiol	c109808
293	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
294	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
295	C₄H₁₀O	Propane, 2-methoxy-	c598538
296	C₄H₁₀O⁺	1-Butanol cation	butanol1+
297	C₂H₅SC₂H₅	Diethyl sulfide	etset
298	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
299	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
300	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
301	FNO₃	Fluorine nitrate	fno3
302	ClFO₃	Perchloryl fluoride	clfo3
303	SO₂Cl₂	Sulfuryl chloride	so2cl2
304	F₃NO	Nitrogen trifluoride oxide	f3no
305	F₃PO	Phosphoryl fluoride	pf3o
306	Cl₃PO	Phosphoryl chloride	pcl3o
307	CF₄	Carbon tetrafluoride	cf4
308	SiF₄	Silicon tetrafluoride	sif4
309	CFCl₃	Trichloromonofluoromethane	cfcl3
310	CCl₄⁺	Carbon tetrachloride cation	ccl4+
311	SiCl₄	Silane, tetrachloro-	sicl4
312	CF₃I	trifluoroiodomethane	cf3i
313	CCl₃I	trichloroiodomethane	ccl3i
314	CFClBrI	fluorochlorobromoiodomethane	cfclbri
315	CF₂I₂	difluorodiiodomethane	cf2i2
316	CCl₂I₂	dichlorodiiodomethane	ccl2i2
317	CBr₃I	tribromoiododmethane	cbr3i
318	CI₄	tetraiodomethane	ci4
319	SiI₄	silicon tetraiodide	sii4
320	CHClCCl₂	Trichloroethylene	chclccl2
321	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
322	HSO₃F	Fluorosulfonic acid	hso3f
323	CHClCCHCl	1,3-dichloroallene	chclcchcl
324	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
325	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
326	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
327	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
328	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
329	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
330	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
331	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
332	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
333	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
334	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
335	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
336	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
337	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
338	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
339	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
340	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
341	C₄H₉F	1-fluorobutane	butaf1
342	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
343	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
344	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
345	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
346	XeF₄	Xenon tetrafluoride	xef4
347	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
348	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
349	C₆H₆	2,4-Hexadiyne	hexadiyne
350	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
351	C₆H₆⁺	Benzene cation	c6h6+
352	C₆H₈	(E)-hexa-1,3,5-triene	c821078
353	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
354	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
355	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
356	C₆H₈	3-Methylenecyclopentene	c930267
357	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
358	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
359	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
360	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
361	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
362	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
363	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
364	C₆H₁₀	1-Hexyne	hexyne1
365	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
366	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
367	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
368	C₆H₁₀	2-Hexyne	c764352
369	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
370	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
371	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
372	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
373	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
374	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
375	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
376	C₆H₁₂	3-methylenepentane	c760214
377	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
378	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
379	C₆H₁₂	Cyclopentane, methyl-	c96377
380	C₆H₁₂	Ethylcyclobutane	c4806615
381	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
382	C₆H₁₄	Hexane	hexane
383	C₆H₁₄	Pentane, 2-methyl-	penta2
384	C₆H₁₄	Pentane, 3-methyl-	penta3
385	C₄N₂	2-Butynedinitrile	c4n2
386	C₃H₃N₃	1,3,5-Triazine	triazine135
387	CH₃N₅	5-Aminotetrazole	c4418615
388	C₄H₄N₂	1,3-Diazine	diazine13
389	C₄H₄N₂	Pyridazine	pyridazine
390	C₄H₄N₂	Succinonitrile	c110612
391	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
392	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
393	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
394	C₅H₅N	E-2,4-pentadienenitrile	bdcn
395	C₅H₅N	Pyridine	pyridine
396	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
397	C₅H₇N	(E)-2-Pentenenitrile	c26294984
398	C₅H₇N	(E)-3-Pentenenitrile	c16529661
399	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
400	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
401	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
402	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
403	C₅H₉N	Pentanenitrile	c110598
404	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
405	C₅H₁₁N	Cyclopentanamine	cypentam
406	C₄H₁₂N₂	1,2-Butanediamine	c4426486
407	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
408	Li₂CO₃	Lithium Carbonate	li2co3
409	N₂O₄	Dinitrogen tetroxide	n2o4
410	C₄H₄O₂	2(5H)-Furanone	furanone
411	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
412	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
413	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
414	C₄H₅NO	3-Methylisoxazole	isox3m
415	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
416	C₄H₅NS	4-Methylthiazole	c693958
417	C₅H₆S	Thiophene, 2-methyl-	c554143
418	C₅H₆S	Thiophene, 3-methyl-	c616444
419	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
420	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
421	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
422	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
423	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
424	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
425	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
426	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
427	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
428	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
429	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
430	C₄H₇NO	Methacrylamide	c79390
431	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
432	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
433	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
434	NH₂COOC₂H₅	Urethane	urethane
435	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
436	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
437	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
438	NH₂CONHC₂H₅	Urea, ethyl-	c625525
439	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
440	C₄H₈O₂	1,4-Dioxane	dioxan14
441	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
442	C₄H₈OS	s-Ethyl thioacetate	c625605
443	C₃H₈O₃	1,2,3-Propanetriol	glycerin
444	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
445	C₄H₉NO	Butanamide	c541355
446	C₄H₉NO	Propanamide, 2-methyl-	c563837
447	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
448	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
449	C₅H₁₀O	2-Pentanone	mpk
450	C₅H₁₀O	Cyclopentanol	c96413
451	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
452	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
453	C₅H₁₀S	Cyclopentanethiol	c1679078
454	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
455	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
456	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
457	C₄H₁₀O₂	1,3-Butanediol	budiol13
458	C₄H₁₀O₂	1,4-Butanediol	budiol14
459	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
460	C₄H₁₀OS	Diethyl sulfoxide	c70291
461	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
462	C₄H₁₁NO	Diethylhydroxylamine	c3710847
463	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
464	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
465	C₅H₁₂O	1-Pentanol	pentanol1
466	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
467	C₅H₁₂O	2-Pentanol	peol2
468	C₅H₁₂O	Butane, 1-methoxy-	meobu
469	C₅H₁₂O	Propane, 1-ethoxy-	proet
470	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
471	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
472	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
473	C₅H₁₂S	1-Pentanethiol	c110667
474	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
475	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
476	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
477	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
478	C₅H₁₂S	Ethyl propyl sulfide	c4110503
479	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
480	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
481	CF₃CN	Acetonitrile, trifluoro-	cf3cn
482	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
483	B₂F₄	Diboron tetrafluoride	b2f4
484	C₂F₄	Tetrafluoroethylene	c2f4
485	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
486	C₂FCl₃	fluorotrichloroethene	c2fcl3
487	C₂Cl₄	Tetrachloroethylene	c2cl4
488	PCl₅	Phosphorus pentachloride	pcl5
489	SbCl₅	Antimony pentachloride	sbcl5
490	IF₅	pentafluoroiodine	if5
491	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
492	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
493	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
494	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
495	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
496	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
497	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
498	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
499	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
500	C₇H₈	cycloheptatriene	cht
501	C₇H₈	Quadricyclane	qucy
502	C₇H₁₆	3-methylhexane	hex3m
503	C₆H₇N	2-Methylpyridine	mp
504	C₆H₅NH₂	aniline	aniline
505	N₂O₅	Dinitrogen pentoxide	n2o5
506	C₆H₅O	phenoxy radical	phenoxy
507	C₅H₅NO	2(1H)-Pyridinone	c72762006
508	C₅H₅NO	2(3H)-Pyridinone	c9000048
509	C₅H₅NO	2(5H)-Pyridinone	c9000037
510	C₅H₅NO	2-Pyridinol	c109104
511	C₅H₅NO	3(2H)-Pyridinone	c9000004
512	C₅H₅NO	3(4H)-Pyridinone	c9000026
513	C₅H₅NO	3(6H)-Pyridinone	c9000015
514	C₅H₅NO	3-Pyridinol	c109002
515	C₅H₅NO	4(1H)-Pryidinone	c9000060
516	C₅H₅NO	4(3H)-Pryidinone	c9000059
517	C₅H₅NO	4-Pyridinol	c626642
518	C₆H₅OH	phenol	phenol
519	C₆H₆O	2,4-Cyclohexadienone	c24599573
520	C₆H₅SH	Benzenethiol	phsh
521	C₄H₈O₂S	Sulfolane	sulfolane
522	CH(C₂H₃)₃	trivinyl methane	tvm
523	C₆H₁₂O	hexanal	c6h12o
524	CF₃COCl	trifluoroacetyl chloride	cf3cocl
525	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
526	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
527	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
528	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
529	CH₃C₆H₄CH₃	meta-xylene	mxylene
530	CH₃C₆H₄CH₃	paraxylene	pxylene
531	C₈H₁₈	Octane	c8h18
532	C₄O₄^--	squarate dianion	c4o4--
533	C₄H₄N₂O₂	Uracil	uracil
534	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
535	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
536	IF₇	Iodine heptafluoride	if7
537	C₆H₄F₂	metadifluorobenzene	mdfb
538	C₆H₅NO₂	Nitrobenzene	c6h5no2
539	C₆N₄^-	tetracyanoethylene anion	tcne-
540	Fe(CO)₅	Iron pentacarbonyl	ipc
541	Fe(C₅H₅)₂	ferrocene	fecp2
542	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
543	C₁₂H₈	Acenaphthylene	acenaph
544	C₁₄H₁₀	Phenanthrene	phenanthrene
545	C₁₈H₁₂	Tetracene	tetracene
546	C₂₄H₁₂	Coronene	coronene

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