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

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

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	D₂	Deuterium diatomic	¹Σ_g	D_∞h
4	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
5	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
6	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
7	HD	Deuterium hydride	¹Σ_g	D_∞h
8	H₃⁺	hydrogen trimer cation	¹A₁^'	D_3h
9	He	Helium atom	¹S	K_h
10	He	Helium atom
11	He⁺	Helium atom cation	²S	K_h
12	HeH	Helium hydride	²Σ	C_∞v
13	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
14	Li	Lithium atom	²S	K_h
15	Li^-	Lithium atom anion	¹S	K_h
16	Li⁺	Lithium atom cation	¹S	K_h
17	Na	Sodium atom	²S	K_h
18	Na⁺	Sodium atom cation	¹S	K_h
19	K	Potassium atom	²S	K_h
20	Cu	Copper atom	²S	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 anion	²Σ	C_∞v
26	NaH⁺	sodium hydride cation	²Σ	C_∞v
27	KH	Potassium hydride	¹Σ	C_∞v
28	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
29	CuH	Copper monohydride	¹Σ	C_∞v
30	Be	Beryllium atom	¹S	K_h
31	Be⁺	Beryllium atom cation	²S	K_h
32	Mg	Magnesium atom	¹S	K_h
33	Mg⁺	Magnesium atom cation	²S	K_h
34	Ca	Calcium atom	¹S	K_h
35	Zn	Zinc atom	¹S	K_h
36	BeH	beryllium monohydride	²Σ	C_∞v
37	BeH^-	berylium monohydride anion	¹Σ	C_∞v
38	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
39	MgH	magnesium monohydride	²Σ	C_∞v
40	MgH^-	magnesium monohydride anion	¹Σ	C_∞v
41	MgH⁺	magnesium monohydride cation	¹Σ	C_∞v
42	CaH	Calcium monohydride	²Σ	C_∞v
43	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
44	TiH	Titanium monohydride	⁴Φ	C_∞v
45	ZnH	Zinc monohydride	²Σ	C_∞v
46	ZnH⁺	Zinc, protonated
47	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
48	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
49	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
50	BeH₂⁺	Beryllium dihydride cation
51	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
52	ZnH₂	Zinc hydride	¹Σ_g	D_∞h
53	B	Boron atom	²P	K_h
54	B	Boron atom	⁴P	K_h
55	B⁺	Boron atom cation	¹S	K_h
56	Al	Aluminum atom	²P	K_h
57	Al^-	Aluminum atom anion	³P	K_h
58	Al⁺	Aluminum atom cation	¹S	K_h
59	Sc	Scandium atom	²D	K_h
60	Sc⁺	Scandium cation	³D	K_h
61	Ga	Gallium atom	²P
62	Ga^-	Gallium atom anion	³P	O_h
63	Ga⁺	Gallium atom cation	¹S
64	BH	Boron monohydride	¹Σ	C_∞v
65	BH	Boron monohydride	³Π	C_∞v
66	BH^-	boron monohydride anion	²Π	C_∞v
67	BH^-	boron monohydride anion	⁴Σ	C_∞v
68	BH⁺	boron monohydride cation	²Σ	C_∞v
69	AlH	aluminum monohydride	¹Σ	C_∞v
70	AlH^-	aluminum monohydride anion	²Π	C_∞v
71	AlH⁺	aluminum monohydride cation	²Σ	C_∞v
72	ScH	Scandium monohydride	¹Σ	C_∞v
73	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
74	GaH	Gallium monohydride	¹Σ	C_∞v
75	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
76	BH₂	boron dihydride	²A₁	C_2v
77	BH₂^-	boron dihydride anion	³B₁	C_2v
78	BH₂^-	boron dihydride anion	¹A₁	C_2v
79	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
80	AlH₂	aluminum dihydride	²A₁	C_2v
81	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
82	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
83	BH₃	boron trihydride	¹A₁^'	D_3h
84	BH₃⁺	boron trihydride cation	²B₂	C_2v
85	BH₃⁺	boron trihydride cation		C_2v
86	AlH₃	aluminum trihydride	¹A₁^'	D_3h
87	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
88	AlH₃^-	aluminum trihydride anion		C_3v
89	AlH₃⁺	aluminum trihydride cation	²E	D_3h
90	ScH₃	Scandium trihydride	¹A₁^'	D_3h
91	ScH₃	Scandium trihydride	¹A₁	C_3v
92	GaH₃	Gallium trihydride	¹A₁^'	D_3h
93	BH₄	borohydride	²B₂	C_2v
94	BH₄^-	borohydride anion	¹A₁	T_d
95	AlH₄^-	Aluminum tetrahydride anion	¹A₁	T_d
96	C	Carbon atom	³P₀	K_h
97	C	Carbon atom	³P₁	K_h
98	C^-	Carbon atom anion	²D	K_h
99	C⁺	Carbon atom cation	²P	K_h
100	Si	Silicon atom	³P	K_h
101	Si	Silicon atom	¹S	K_h
102	Si^-	Silicon atom anion	⁴S	K_h
103	Si⁺	Silicon atom cation	²P	K_h
104	Ti	Titanium atom	³F	K_h
105	Ge	Germanium atom	³P	K_h
106	Ge^-	Germanium anion	⁴S	K_h
107	Ge⁺	Germanium cation	²P	K_h
108	CH	Methylidyne	²Π_1/2	C_∞v
109	CH^-	methylidyne anion	³Σ	C_∞v
110	CH⁺	Methylidyne cation	¹Σ	C_∞v
111	SiH	Silylidyne	²Π	C_∞v
112	SiH^-	silicon monohydride anion	³Σ	C_∞v
113	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
114	GeH	germylidene	²Π	C_∞v
115	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
116	CH₂	Methylene	³B₁	C_2v
117	CH₂	Methylene	³Σ_G	D_∞h
118	CH₂	Methylene	¹A₁	C_2v
119	CH₂^-	methylene anion	²B₁	C_2v
120	CH₂⁺	methylene cation	²A₁	C_2v
121	CH₂⁺	methylene cation	²Π	D_∞h
122	SiH₂	silicon dihydride	¹A₁	C_2v
123	SiH₂	silicon dihydride	³B₁	C_2v
124	SiH₂^-	silicon dihydride anion	²B₁	C_2v
125	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
126	GeH₂	germylene	¹A₁	C_2v
127	GeH₂^-	germylene anion	²B₁	C_2v
128	CH₃	Methyl radical	²A₁	D_3h
129	CH₃^-	methyl anion	¹A₁	C_3v
130	CH₃⁺	methyl cation	¹A₁^'	D_3h
131	SiH₃	Silyl radical	²A₁	C_3v
132	SiH₃^-	Silyl anion	¹A₁	C_3v
133	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
134	GeH₃	Germyl radical	²A₁	C_3v
135	GeH₃⁺	germyl cation	¹A₁^'	D_3h
136	CD₄	methane-d4	¹A₁	T_d
137	CH₂D₂	methane-d2	¹A₁	C_2v
138	CH₃D	methane-d	¹A₁	C_3v
139	CH₄	Methane	¹A₁	T_d
140	CH₄^-	Methane anion	²A₁	T_d
141	CH₄^-	Methane anion	²A₁	C_3v
142	CH₄⁺	Methane cation	²B₁	C_2v
143	CHD₃	methane-d3	¹A₁	C_3v
144	SiH₂D₂	silane-d2
145	SiH₄	Silane	¹A₁	T_d
146	SiH₄⁺	Silane cation	²B₁	C_2v
147	GeH₄	Germane	¹A₁	T_d
148	SiH₅⁺	Silane, protonated
149	N	Nitrogen atom	⁴S	K_h
150	N⁺	Nitrogen atom cation	³P	K_h
151	P	Phosphorus atom	⁴S	K_h
152	V	Vanadium atom	⁴F	K_h
153	V⁺	Vanadium atom cation	⁵D	K_h
154	As	Arsenic atomic	⁴S	K_h
155	As^-	Arsenic anion	³P	K_h
156	As⁺	Arsenic cation	³P	K_h
157	NH	Imidogen	³Σ^-	C_∞v
158	NH	Imidogen	¹Σ⁺	C_∞v
159	NH^-	Imidogen anion	²Π	C_∞v
160	NH⁺	imidogen cation	²Π	C_∞v
161	PH	phosphorus monohydride	³Σ^-	C_∞v
162	PH	phosphorus monohydride	¹Δ	C_∞v
163	PH^-	phosphorus monohydride anion	²Π	C_∞v
164	PH⁺	phosphorus monohydride cation	²Π	C_∞v
165	AsH	Arsenic monohydride	³Σ	C_∞v
166	AsH	Arsenic monohydride	¹Σ	C_∞v
167	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
168	ND₂	Amidogen-d2	²B₁	C_2v
169	NH₂	Amino radical	²B₁	C_2v
170	NH₂^-	amino anion	¹A₁	C_2v
171	NH₂⁺	Amino cation	³B₁	C_2v
172	NH₂⁺	Amino cation	¹A₁	C_2v
173	PH₂	Phosphino radical	²B₁	C_2v
174	PH₂^-	Phosphino anion	¹A₁	C_2v
175	PH₂⁺	Phosphino cation	¹A₁	C_2v
176	AsH₂	Arsenic dihydride	²A₁	C_2v
177	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
178	ND₃	Ammonia-d3	¹A₁	C_3v
179	NH₃	Ammonia	¹A₁	C_3v
180	NH₃^-	Ammonia anion	²A₁	C_3v
181	NH₃⁺	ammonia cation	²A₂^"	D_3h
182	PH₃	Phosphine	¹A₁	C_3v
183	PH₃⁺	Phosphine cation	²A₁	C_3v
184	AsH₃	Arsine	¹A₁	C_3v
185	AsH₃⁺	Arsine cation	²A₁	C_3v
186	AsH₄⁺	Arsonium
187	NH₄	Ammonium radical
188	NH₄⁺	ammonium cation	¹A₁	T_d
189	PH₄	Phosphoranyl radical
190	PH₄⁺	phosphonium cation
191	O	Oxygen atom	³S	K_h
192	O⁺	Oxygen atom cation	⁴S	K_h
193	S	Sulfur atom	³P	K_h
194	S	Sulfur atom
195	S^-	Sulfur atom anion	²P	K_h
196	S⁺	Sulfur atom cation	⁴S	K_h
197	Se	Selenium atom	³P	K_h
198	Se^-	Selenium atom anion	²P	K_h
199	Se⁺	Selenium atom cation	⁴S	K_h
200	DO	Hydroxyl-d	²Π	C_∞v
201	OH	Hydroxyl radical	²Π	C_∞v
202	OH^-	hydroxide anion	¹Σ	C_∞v
203	OH⁺	hydoxyl cation	³Σ	C_∞v
204	OH⁺	hydoxyl cation	¹Σ	C_∞v
205	DS	Mercapto-d	²Π	C_∞v
206	HS	Mercapto radical	²Π	C_∞v
207	HS^-	mercapto anion	¹Σ	C_∞v
208	HS⁺	sulfur monohydride cation	³Σ	C_∞v
209	HS⁺	sulfur monohydride cation	¹Π	C_∞v
210	CrH	Chromium hydride	⁶Σ	C_∞v
211	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
212	HSe	Selenium monohydride	²Π	C_∞v
213	HSe^-	selenium monohydride anion	¹Σ	C_∞v
214	HSe⁺	selenium monohydride cation	³Σ	C_∞v
215	HSe⁺	selenium monohydride cation	¹Σ	C_∞v
216	D₂O	Deuterium oxide	¹A₁	C_2v
217	H₂O	Water	¹A₁	C_2v
218	H₂O^-	water anion	²A₁	C_2v
219	H₂O^-	water anion	²A^'	C_s
220	H₂O⁺	water cation	²B₁	C_2v
221	HDO	Water-d1	¹A₁	C_2v
222	D₂S	Hydrogen sulfide-d2	¹A₁	C_2v
223	H₂S	Hydrogen sulfide	¹A₁	C_2v
224	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
225	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
226	H₂Se	Hydrogen selenide	¹A₁	C_2v
227	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
228	H₃O⁺	hydronium cation	¹A₁	C_3v
229	H₃S⁺	Sulfonium cation	¹A₁	C_3v
230	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
231	F	Fluorine atom	²P	K_h
232	F^-	Fluorine atom anion	¹S	K_h
233	F⁺	Fluorine atom cation	³S	K_h
234	F⁺	Fluorine atom cation	¹D	K_h
235	Cl	Chlorine atom	²P	K_h
236	Cl^-	Chlorine atom anion	¹S	K_h
237	Cl⁺	Chlorine atom cation	³P	K_h
238	Cl⁺	Chlorine atom cation	¹D	K_h
239	Br	Bromine atom	²P	K_h
240	Br^-	Bromine atom anion	¹S	K_h
241	Br⁺	Bromine atom cation	³P	K_h
242	DF	Hydrofluoric acid-d	¹Σ	C_∞v
243	HF	Hydrogen fluoride	¹Σ	C_∞v
244	HF^-	hydrogen fluoride anion	²Σ	C_∞v
245	HF⁺	hydrogen fluoride cation	²Π	C_∞v
246	DCl	Hydrochloric acid-d	¹Σ	C_∞v
247	HCl	Hydrogen chloride	¹Σ	C_∞v
248	HCl^-	hydrogen chloride anion	²Σ	C_∞v
249	HCl⁺	hydrogen chloride cation	²Π	C_∞v
250	HBr	hydrogen bromide	¹Σ	C_∞v
251	HBr^-	hydrogen bromide anion	²Σ	C_∞v
252	HBr⁺	hydrogen bromide cation	²Π	C_∞v
253	H₂F⁺	dihydrogen fluoride cation	¹A₁	C_2v
254	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
255	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
256	Ne	Neon atom	¹S	K_h
257	Ne	Neon atom
258	Ne⁺	Neon atom cation	²P	K_h
259	Ar	Argon atom	¹S	K_h
260	Kr	Krypton atom	¹S	K_h
261	Kr⁺	Krypton cation	²P	K_h
262	HeLi⁺	Helium Lithium cation
263	NeH	neon hydrogen	²Σ	C_∞v
264	ArH⁺	Argon hydride cation	¹Σ	C_∞v
265	KrH⁺	Protonated Krypton	¹Σ	C_∞v
266	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
267	Li₂	Lithium diatomic	¹Σ_g	D_∞v
268	Li₂^-	lithium diatomic anion	²Σ_u	D_∞h
269	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
270	NaLi	lithium sodium	¹Σ	C_∞v
271	NaLi^-	lithium sodium anion	²Σ	C_∞v
272	NaLi⁺	lithium sodium cation	²Σ	C_∞v
273	LiK	Lithium Potassium	¹Σ	C_∞v
274	Na₂	Sodium diatomic	¹Σ_g	D_∞h
275	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
276	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
277	NaK	Sodium Potassium	¹Σ	C_∞v
278	NaK⁺	Sodium Potassium diatomic cation		1
279	K₂	Potassium diatomic	¹Σ_g	D_∞h
280	Cu₂	Copper diatomic	¹Σ_g	D_∞h
281	LiBe	Lithium Beryllium	²Σ	C_∞v
282	LiMg	Lithium magnesium	²Σ	C_∞v
283	NaBe	Sodium Beryllium	²Σ	C_∞v
284	NaMg	Sodium Magnesium	²Σ	C_∞v
285	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
286	Be₂	Beryllium diatomic	³Π_g	D_∞h
287	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
288	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
289	BeMg	Beryllium Magnesium	¹Σ	C_∞v
290	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
291	Mg₂^-	magnesium diatomic anion	²Π_U	D_∞h
292	Mg₂⁺	magnesium diatomic cation	²Σ_u	D_∞h
293	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
294	LiB	Lithium boride	³Π	C_∞v
295	LiAl	Lithium Aluminum
296	NaAl	Sodium aluminum	¹Σ	C_∞v
297	BeB	Beryllium monoboride	²Π	C_∞v
298	B₂	Boron diatomic	³Σ_g	D_∞h
299	B₂	Boron diatomic	¹Σ_g	D_∞h
300	B₂	Boron diatomic	⁵Σ_u	D_∞h
301	B₂^-	Boron diatomic anion	⁴Σ_g	D_∞h
302	B₂⁺	Boron diatomic cation	²Π	D_∞h
303	BAl	Boron Aluminum	³Σ	C_∞v
304	Al₂	Aluminum diatomic	³Σ_g	D_∞h
305	Al₂	Aluminum diatomic	¹Σ_g	D_∞h
306	Al₂^-	aluminum diatomic anion	⁴Σ_g	D_∞h
307	Al₂⁺	aluminum diatomic cation	²Σ_g	D_∞h
308	BGa	Boron Gallium	³Σ	C_∞v
309	AlGa	Aluminum Gallium	³Σ	C_∞v
310	AlGa	Aluminum Gallium	¹Σ	C_∞v
311	Ga₂	Gallium diatomic	³P_iu
312	HBBH	Diborane(2)	³Σ_G	D_∞h
313	LiBH₄	Lithium borohydride	¹A₁	C_3v
314	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
315	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
316	B₂H₆	Diborane	¹A_g	D_2h
317	B₂H₆⁺	Diborane cation
318	Al₂H₆	dialane	¹A_G	D_2h
319	Ga₂H₆	digallane	¹A_G	D_2h
320	LiC	Lithium Carbide	⁴Σ	C_∞v
321	BeC	Beryllium Carbide	³Σ^-	C_∞v
322	BeC	Beryllium Carbide
323	CaC	Calcium monocarbide
324	BC	boron monocarbide	⁴Σ^-	C_∞v
325	BC	boron monocarbide	²Π	C_∞v
326	BC^-	boron monocarbide anion	³Π_u	C_∞v
327	BC^-	boron monocarbide anion	¹Σ_g⁺	C_∞v
328	BC⁺	boron monocarbide cation	³Σ	C_∞v
329	BC⁺	boron monocarbide cation	¹Σ	C_∞v
330	AlC	Aluminum carbide	⁴Σ	C_∞v
331	BSi	Boron silicide	⁴Σ	C_∞v
332	BSi	Boron silicide	²Σ	C_∞v
333	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
334	C₂	Carbon diatomic	³Π_u	D_∞h
335	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
336	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
337	SiC	silicon monocarbide	³Σ	C_∞v
338	SiC	silicon monocarbide	¹Σ	C_∞v
339	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
340	SiC⁺	silicon monocarbide cation	²Π	C_∞v
341	Si₂	Silicon diatomic	³Σ_g	D_∞h
342	Si₂	Silicon diatomic	¹Σ_g	D_∞h
343	Si₂^-	silcon diatomic anion	²Σ_g	D_∞h
344	Si₂⁺	silcon diatomic cation	²Π	D_∞h
345	GeC	Germanium monocarbide	¹Σ	C_∞v
346	GeC	Germanium monocarbide
347	SiGe	Silicon Germanium
348	Ge₂	Germanium diatomic	³Σ_g	D_∞h
349	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
350	C₂H	Ethynyl radical	²Σ	C_∞v
351	C₂H	Ethynyl radical
352	C₂H^-	Ethynyl anion	¹Σ	C_∞v
353	C₂H⁺	Ethynyl cation	³Π	C_∞v
354	ZnCH₂	Zinc methylene	³B₁	C_2v
355	ZnCH₂	Zinc methylene	¹A₁	C_2v
356	ZnCH₂	Zinc methylene	¹A^'	C_s
357	C₂H₂	Acetylene	¹Σ_g	D_∞h
358	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
359	C₂H₂⁺	acetylene cation
360	CCH₂	vinylidene	³B₂	C_2v
361	H₂CC^-	vinylidene anion
362	HCCH^-	acetylene anion
363	HCCH^-	acetylene anion
364	Si₂H₂	disilyne
365	Si₂H₂	disilyne
366	Si₂H₂	disilyne
367	Si₂H₂	disilyne
368	CH₃Li	methyl lithium	¹A₁	C_3v
369	ZnCH₃	Zinc monomethyl	²A₁	C_3v
370	CH₂BH	methyleneborane	¹A₁	C_2v
371	C₂H₃	vinyl	²A^'	C_s
372	C₂H₃^-	vinyl anion	¹A^'	C_s
373	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
374	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
375	C₂H₄	Ethylene	¹A_g	D_2h
376	C₂H₄^-	Ethylene anion	²B_2g	D_2h
377	C₂H₄^-	Ethylene anion	²A_g	C_2h
378	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
379	C₂H₄⁺	Ethylene cation	²B₃	D₂
380	CH₃CH	methylmethylene	³A^"	C_s
381	CH₂SiH₂	silaethylene	¹A₁	C_2v
382	Si₂H₄	Disilene
383	Si₂H₄	Disilene
384	Si₂H₄	Disilene
385	CH₃BH₂	methylborane	¹A^'	C_s
386	C₂H₅	Ethyl radical	²A^'	C_s
387	C₂H₅^-	Ethyl anion	¹A^'	C_s
388	C₂H₅⁺	Ethyl cation	¹A₁	C_2v
389	C₂H₆	Ethane	¹A_1g	D_3d
390	C₂H₆	Ethane	¹A₁^'	D_3h
391	C₂H₆⁺	ethane cation	²B_g	C_2h
392	C₂H₆⁺	ethane cation	²A_g	C_i
393	CH₃SiH₃	methyl silane	¹A₁	C₃
394	Si₂H₆	disilane	¹E_u	D_3d
395	GeH₃CH₃	methyl germane	¹A₁	C_3v
396	C₂H₇⁺	Ethane, protonated	¹A	C₂
397	LiN	Lithium Nitride	³Σ	C_∞v
398	LiP	Lithium monophosphide
399	LiP	Lithium monophosphide
400	BeN	Beryllium mononitride	⁴Σ	C_∞v
401	BeN	Beryllium mononitride	²Π	C_∞v
402	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
403	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
404	MgN	Magnesium Nitride
405	MgN	Magnesium Nitride
406	BN^-	boron nitride anion	²Σ	C_∞v
407	AlN^-	aluminum mononitride anion	²Σ	C_∞v
408	AlN⁺	aluminum mononitride cation	²Π	C_∞v
409	BP	Boron monophosphide	³Π	C_∞v
410	BP	Boron monophosphide	¹Σ	C_∞v
411	AlP	Aluminum monophosphide	³Σ	C_∞v
412	AlP	Aluminum monophosphide	³Π	C_∞v
413	AlP	Aluminum monophosphide	¹Σ	C_∞v
414	GaN	Gallium mononitride	³Π	C_∞v
415	GaN	Gallium mononitride	¹Σ	C_∞v
416	GaP	Gallium monophosphide	³Σ	C_∞v
417	GaP	Gallium monophosphide	¹Σ	C_∞v
418	GaAs	Gallium arsenide	³Π
419	GaAs	Gallium arsenide	¹Σ
420	BN	boron nitride	³Π	C_∞v
421	BN	boron nitride	¹Σ	C_∞v
422	BN⁺	boron nitride cation	²Π	C_∞v
423	AlN	Aluminum nitride	³Π_i	C_∞v
424	AlN	Aluminum nitride	¹Σ	C_∞v
425	CN	Cyano radical	²Σ	C_∞v
426	CN^-	cyanide anion	¹Σ	C_∞v
427	CN⁺	Cyano cation	¹Σ	C_∞v
428	CP	Carbon monophosphide	²Σ	C_∞v
429	CP^-	carbon monophosphide anion	¹Σ	C_∞v
430	CP⁺	carbon monophosphide cation	³Σ	C_∞v
431	CP⁺	carbon monophosphide cation	¹Σ	C_∞v
432	SiN	Silicon nitride	²Σ	C_∞v
433	SiN^-	silicon mononitride anion	¹Σ	C_∞v
434	SiN⁺	silicon mononitride cation	³Π	C_∞v
435	SiP	Silicon monophosphide	²Π	C_∞v
436	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
437	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
438	SiP⁺	Silicon monophosphide cation	¹Σ	C_∞v
439	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
440	N₂	Nitrogen diatomic
441	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
442	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
443	PN	Phosphorus mononitride	¹Σ	C_∞v
444	PN^-	phosphorus nitride anion	²Π	C_∞v
445	PN⁺	phosphorus nitride cation	²Π	C_∞v
446	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
447	P₂^-	phosphorus diatomic anion	²Π_g	D_∞h
448	P₂⁺	phosphorus diatomic cation	²Π_U	D_∞h
449	AsN	Arsenic mononitride	¹Σ	C_∞v
450	AsP	Arsenic monophosphide	¹Σ	C_∞v
451	HNB	hydrogen nitrogen boron	²Σ	C_∞v
452	HNC	hydrogen isocyanide	¹Σ	C_∞v
453	HCN	Hydrogen cyanide	¹Σ	C_∞v
454	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
455	HNC⁺	hydrogen isocyanide cation
456	HCP	Phosphaethyne	¹Σ	C_∞v
457	HCP⁺	Phosphaethyne cation
458	NNH	Dinitrogen monohydride	²A^'	C_s
459	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
460	HPO	Hydrogen phosphorus oxide	¹A^'	C_s
461	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
462	LiNH₂	lithium amide
463	HBNH	Boranimine	¹Σ	C_∞v
464	CNH₂	Aminomethylidyne radical	²B₂	C_2v
465	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
466	HCNH	methyleneazane	²A^'	CS cis
467	HCNH	methyleneazane	²A^'	CS trans
468	H₂NN	Isodiazene
469	N₂H₂	(E)-diazene	¹A_g	C_2h
470	N₂H₂	(Z)-Diazene	¹A₁	C_2v
471	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
472	CH₂NH	Methanimine	¹A^'	C_s
473	CH₂NH⁺	Methanimine cation
474	CHNH₂	aminomethylene
475	CHNH₂⁺	Aminocarbene cation
476	CH₂PH	Phosphaethene	¹A^'	C_s
477	BH₂NH₂	Boranamine
478	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
479	N₂H₄	Hydrazine	¹A	C₂
480	N₂H₄⁺	hydrazine cation	²A_G	C_2h
481	P₂H₄	Diphosphine	¹A	C₂
482	CH₃NH₂	methyl amine	¹A^'	C_s
483	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
484	CH₃PH₂	Methyl phosphine	¹A^'	C_s
485	SiH₃NH₂	Silane, amino
486	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
487	BH₃PH₃	borane phosphine
488	BH₃NH₃	borane ammonia	¹A₁	C_3v
489	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
490	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
491	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
492	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
493	N₂H₇⁺	ammonia ammonium dimer
494	LiO	lithium oxide	²Σ	C_∞v
495	LiO^-	lithium oxide anion	¹Σ	C_∞v
496	LiO⁺	lithium oxide cation	³Σ	C_∞v
497	LiO⁺	lithium oxide cation	¹Σ	C_∞v
498	LiS	Lithium monosulfide	²Π	C_∞v
499	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
500	NaO	sodium monoxide	²Σ	C_∞v
501	NaO^-	sodium oxide anion	¹Σ	C_∞v
502	NaO⁺	sodium oxide cation	³Σ	C_∞v
503	KO	Potassium monoxide	²Σ	C_∞v
504	KO⁺	Potassium monoxide cation	³Σ	C_∞v
505	NaS	Sodium sulfide	²Π	C_∞v
506	CuO	Copper Monoxide	²Π	C_∞v
507	LiSe	Lithium monoselenide
508	BeO	beryllium oxide	¹Σ	C_∞v
509	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
510	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
511	BeS	beryllium sulfide	¹Σ	C_∞v
512	MgO	magnesium oxide	¹Σ⁺	C_∞v
513	MgO^-	magnesium oxide anion	²Σ	C_∞v
514	MgO⁺	magnesium oxide cation	²Π	C_∞v
515	CaO	Calcium monoxide	¹Σ	C_∞v
516	MgS	magnesium sulfide	¹Σ	C_∞v
517	MgS^-	magnesium sulfide anion	²Σ	C_∞v
518	MgS⁺	magnesium sulfide cation	²Π	C_∞v
519	CaS	Calcium sulfide	¹Σ	C_∞v
520	ZnO	zinc monoxide	¹Σ	C_∞v
521	BeS^-	Beryllium monosulfide anion	²Σ	C_∞v
522	BeS⁺	Beryllium monosulfide cation	²Π	C_∞v
523	BO	boron monoxide	²Σ	C_∞v
524	BO^-	boron monoxide anion	¹Σ	C_∞v
525	AlO	Aluminum monoxide	²Σ	C_∞v
526	AlO^-	Aluminum monoxide anion	¹Σ	C_∞v
527	AlO⁺	aluminum monoxide cation	¹Σ	C_∞v
528	BS	boron sulfide	²Σ	C_∞v
529	BS^-	boron monosulfide anion	¹Σ	C_∞v
530	BS⁺	boron monosulfide cation	¹Σ	C_∞v
531	AlS	Aluminum sulfide	²Σ	C_∞v
532	AlS^-	aluminum monosulfide anion	¹Σ	C_∞v
533	AlS⁺	aluminum monosulfide cation	¹Σ	C_∞v
534	ScO	Scandium monoxide	²Σ	C_∞v
535	GaO	Gallium monoxide	²Σ	C_∞v
536	GaS	Gallium monosulfide
537	BO⁺	boron monoxide cation	¹Σ	C_∞v
538	CO	Carbon monoxide	¹Σ	C_∞v
539	CO	Carbon monoxide	³Π	C_∞v
540	CO^-	carbon monoxide anion	²Π	C_∞v
541	CO⁺	carbon monoxide cation	²Σ	C_∞v
542	CS	carbon monosulfide	¹Σ	C_∞v
543	CS^-	carbon monosulfide anion	²Π	C_∞v
544	CS⁺	carbon monosulfide cation	²Σ	C_∞v
545	SiO	Silicon monoxide	¹Σ	C_∞v
546	SiO^-	silicon monoxide anion	²Π	C_∞v
547	SiO⁺	silicon monoxide cation	²Σ	C_∞v
548	SiS	silicon monosulfide	¹Σ	C_∞v
549	SiS^-	silicon monosulfide anion	²Π	C_∞v
550	SiS⁺	silicon monosulfide cation	²Σ	C_∞v
551	TiO	Titanium monoxide	³Δ	C_∞v
552	CSe	Carbon monoselenide	¹Σ	C_∞v
553	CSe^-	Carbon monoselenide anion	²Π	C_∞v
554	CSe⁺	Carbon monoselenide cation	²Σ	C_∞v
555	GeO	Germanium monoxide	¹Σ	C_∞v
556	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
557	GeS	Germanium monosulfide	¹Σ	C_∞v
558	SiSe	Silicon Monoselenide
559	SiSe⁺	Silicon Monoselenide cation
560	GeSe	Germanium monoselenide
561	NO	Nitric oxide	²Π	C_∞v
562	NO^-	nitric oxide anion	³Σ	C_∞v
563	NO^-	nitric oxide anion	¹Δ	C_∞v
564	NO⁺	nitric oxide cation	¹Σ	C_∞v
565	NS	Mononitrogen monosulfide	²Π	C_∞v
566	NS^-	nitrogen sulfide anion	³Σ	C_∞v
567	NS^-	nitrogen sulfide anion	¹Σ	C_∞v
568	NS⁺	nitrogen sulfide cation	¹Σ	C_∞v
569	PO	Phosphorus monoxide	²Π	C_∞v
570	PO^-	phosphorus monoxide anion	³Σ	C_∞v
571	PO⁺	phosphorus monoxide cation	¹Σ	C_∞v
572	PS	phosphorus sulfide	²Σ	C_∞v
573	PS^-	phosphorus monosulfide anion	³Σ	C_∞v
574	PS^-	phosphorus monosulfide anion	¹Σ	C_∞v
575	PS⁺	phosphorus monosulfide cation	¹Σ	C_∞v
576	VO	Vanadium monoxide	⁴Σ^-
577	NSe	Nitrogen monoselenide	²Π	C_∞v
578	AsS	Arsenic monosulfide	²Π	C_∞v
579	PSe	Phosphorus monoselenide	²Π	C_∞v
580	AsSe	Arsenic monoselenide	²Π	C_∞v
581	O₂	Oxygen diatomic	³Σ_g	D_∞h
582	O₂	Oxygen diatomic	¹Δ_g	D_∞h
583	O₂^-	oxygen diatomic anion	²Π	D_∞h
584	O₂^--	dioxygen dianion
585	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
586	SO	Sulfur monoxide	³Σ	C_∞v
587	SO	Sulfur monoxide	¹Σ	C_∞v
588	SO^-	sulfur monoxide anion	²Π	C_∞v
589	SO⁺	sulfur monoxide cation	²Π	C_∞v
590	S₂	Sulfur diatomic	³Σ_g	D_∞h
591	S₂	Sulfur diatomic	¹Σ	D_∞h
592	S₂^-	sulfur diatomic anion	²Π	D_∞h
593	S₂⁺	sulfur diatomic cation	²Π	D_∞h
594	SeO	Selenium monoxide	³Σ	C_∞v
595	SeO	Selenium monoxide	¹?	C_∞v
596	SeO^-	selenium monoxide anion	²Π	C_∞v
597	SeO⁺	selenium monoxide cation	²Π	C_∞v
598	SeS	Selenium monosulfide	³Σ	C_∞v
599	SeS^-	selenium monosulfide anion	²Π	C_∞v
600	SeS⁺	selenium monosulfide cation	²Π	C_∞v
601	Se₂	Selenium diatomic	³Σ_g	D_∞h
602	Se₂	Selenium diatomic	¹Σ_g⁺	D_∞h
603	Se₂^-	selenium diatomic anion	²Π	D_∞h
604	Se₂⁺	selenium diatomic cation	²Π_g	D_∞h
605	LiOH	lithium hydroxide	¹Σ	C_∞v
606	NaOH	sodium hydroxide	¹Σ	C_∞v
607	KOH	Potassium hydroxide	¹Σ	C_∞v
608	BeOH	beryllium monohydroxide	²A^'	C_s
609	BeOH	beryllium monohydroxide	²Σ	C_∞v
610	MgOH	magnesium hydroxide	²A^'	C_s
611	CaOH	Calcium monohydroxide	²Σ⁺	C_∞v
612	HBO	Boron hydride oxide	¹Σ	C_∞v
613	HBS	hydrogen boron sulfide	¹Σ	C_∞v
614	COH	Hydroxymethylidyne
615	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
616	HCO	Formyl radical	²A^'	C_s
617	HCO^-	formyl anion	¹A^'	C_s
618	HCO⁺	Formyl cation	¹Σ	C_∞v
619	HCS	Thioformyl radical	²A^'	C_s
620	HNO	Nitrosyl hydride	¹A^'	C_s
621	HNO^-	Nitrosyl hydride anion	²A^"	C_s
622	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
623	NOH	Hydroxyimidogen	³A^"	C_s
624	NOH⁺	O-protonated nitric oxide	²A^'	C_s
625	HNS^-	Sulfur imide anion	²A	C_s
626	HO₂	Hydroperoxy radical	²A^"	C_s
627	HO₂^-	Hydroperoxy anion	¹A^'	C_s
628	HO₂⁺	Hydroperoxy cation	³A^"	C_s
629	HSO⁺	Sulfur Monoxide, S-protonated
630	SOH	Sulfur Hydroxide
631	SOH⁺	Sulfur Monoxide, protonated
632	HS₂	Thiosulfeno radical	²A^"	C_s
633	H₂CO	Formaldehyde	¹A₁	C_2v
634	H₂CO^-	formaldehyde anion	²A^'	C_s
635	H₂CO^-	formaldehyde anion
636	H₂CO⁺	formaldehyde cation	²B₂	C_2v
637	HOCH	hydroxycarbene	¹A^'	CS trans
638	HOCH	hydroxycarbene	¹A^'	CS cis
639	H₂CS	Thioformaldehyde	¹A₁	C_2v
640	H₂CS^-	thioformaldehyde anion
641	H₂CS^-	thioformaldehyde anion
642	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
643	H₂CSe	Selenoformaldehyde
644	H₂NO	nitroxide	²B₁	C_2v
645	H₂NO	nitroxide	²A^'	C_s
646	H₂O₂	Hydrogen peroxide	¹A	C₂
647	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
648	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
649	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
650	H₂OO	water oxide
651	HOSH	hydrogen thioperoxide
652	H₂S₂	Disulfane	¹A	C₂
653	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
654	H₂Se₂	hydrogen diselenide
655	CH₂OH	Hydroxymethyl radical	²A	C₁
656	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
657	CH₃O	Methoxy radical	²A^'	C₁
658	CH₃O^-	methoxy anion	¹A₁	C_3v
659	CH₃O⁺	Methoxy cation	³A₁	C_3v
660	CH₃S	thiomethoxy	²A^'	C_3v
661	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
662	NH₂OH	hydroxylamine	¹A^'	C_s
663	NH₂OH⁺	Hydroxylamine cation
664	NH₃O	Ammonia Oxide	¹A₁	C_3v
665	H₂POH	Phosphinous acid	¹A₁^'	CS trans
666	H₂POH	Phosphinous acid	¹A₁^'	CS cis
667	H₃PO	Phosphine oxide	¹A₁	C_3v
668	NH₂SH	Thiohydroxylamine
669	NH₂SH	Thiohydroxylamine
670	NH₃S	sulfidoazane
671	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
672	CH₃OH	Methyl alcohol	¹A^'	C_s
673	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
674	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
675	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
676	CH₃OH⁺	Methyl alcohol cation	²A	C₁
677	CH₃SH	Methanethiol	¹A^'	C_s
678	CH₃SH⁺	Methanethiol cation	²A^"	C_s
679	SiH₃OH	silanol
680	CH₃SeH	Methane selenol	¹A^'	C_s
681	NH₂OH₂⁺	protonated hydroxylamine
682	NH₃OH⁺	N-protonated hydroxylamine
683	H₂OH₂O	water dimer	¹A^'	C_s
684	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
685	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
686	H₂ONH₃	Water Ammonia Dimer	¹A^'	C₁
687	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
688	LiF	lithium fluoride	¹Σ	C_∞v
689	LiCl	lithium chloride	¹Σ	C_∞v
690	LiCl^-	lithium chloride anion	²Σ	C_∞v
691	LiCl⁺	lithium chloride cation	²Π	C_∞v
692	NaF	sodium fluoride	¹Σ	C_∞v
693	NaF^-	sodium fluoride anion	²Σ	C_∞v
694	NaF⁺	sodium fluoride cation	²Σ	C_∞v
695	KF	Potassium Fluoride	¹Σ	C_∞v
696	NaCl	Sodium Chloride	¹Σ	C_∞v
697	NaCl^-	sodium chloride anion	²Σ	C_∞v
698	NaCl⁺	sodium chloride cation	²Π	C_∞v
699	KCl	Potassium Chloride	¹Σ	C_∞v
700	CuF	Copper monofluoride	¹Σ	C_∞v
701	LiBr	Lithium Bromide	¹Σ	C_∞v
702	LiBr^-	lithium bromide anion	²Σ	C_∞v
703	LiBr⁺	lithium bromide cation	²Π	C_∞v
704	CuCl	Copper monochloride	¹Σ	C_∞v
705	NaBr	Sodium Bromide	¹Σ	C_∞v
706	NaBr^-	sodium bromide anion	²Σ	C_∞v
707	NaBr⁺	sodium bromide cation	²Π	C_∞v
708	KBr	Potassium Bromide	¹Σ	C_∞v
709	LiF^-	lithium fluoride anion	²Σ	C_∞v
710	LiF⁺	lithium fluoride cation	²Π	C_∞v
711	BeF	Beryllium monofluoride	²Σ	C_∞v
712	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
713	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
714	BeCl	beryllium monochloride	²Σ	C_∞v
715	MgF	Magnesium monofluoride	²Σ	C_∞v
716	MgF^-	magnesium fluoride anion	¹Σ	C_∞v
717	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
718	CaF	Calcium monofluoride	²Σ	C_∞v
719	MgCl	magnesium monochloride	²Σ	C_∞v
720	MgCl^-	magnesium monochloride anion	¹Σ	C_∞v
721	MgCl⁺	magnesium monochloride cation	¹Σ	C_∞v
722	CaCl	calcium monochloride	²Σ	C_∞v
723	TiCl	Titanium Monochloride	⁴Σ	C_∞v
724	ZnF	Zinc monofluoride	²Σ	C_∞v
725	ZnCl	Zinc monochloride	²Σ	C_∞v
726	CaBr	Calcium monobromide
727	BeCl^-	beryllium monochloride anion	¹Σ	C_∞v
728	BeCl⁺	beryllium monochloride cation	¹Σ	C_∞v
729	BF	Boron monofluoride	¹Σ	C_∞v
730	BF^-	Boron monofluoride anion	²Π	C_∞v
731	BF⁺	Boron monofluoride cation	²Σ	C_∞v
732	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
733	AlF^-	Aluminum monofluoride anion	²Π	C_∞v
734	AlF⁺	Aluminum monofluoride cation	²Σ	C_∞v
735	BCl	boron monochloride	¹Σ	C_∞v
736	BCl^-	boron monochloride anion	²Π	C_∞v
737	BCl⁺	boron monochloride cation	²Σ	C_∞v
738	AlCl	Aluminum monochloride	¹Σ	C_∞v
739	AlCl^-	aluminum monochloride anion	²Π	C_∞v
740	AlCl⁺	aluminum monochloride cation	²Σ	C_∞v
741	ScF	Scandium monofluoride	¹Σ	C_∞v
742	BBr	Boron monobromide	¹Σ	C_∞v
743	GaF	Gallium monofluoride	¹Σ	C_∞v
744	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
745	AlBr	Aluminum monobromide
746	GaCl	Gallium monochloride	¹Σ_G	C_∞v
747	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
748	GaBr	Gallium monobromide
749	CF	Fluoromethylidyne	²Π	C_∞v
750	CF^-	carbon monofluoride anion	³Σ	C_∞v
751	CF^-	carbon monofluoride anion	¹Σ	C_∞v
752	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
753	CCl	carbon monochloride	²Π	C_∞v
754	CCl^-	carbon monochloride anion	³Σ	C_∞v
755	CCl⁺	carbon monochloride cation	¹Σ	C_∞v
756	SiF	silicon monofluoride	²Π	C_∞v
757	SiF^-	silicon monofluoride anion	³Σ	C_∞v
758	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
759	SiCl	Clorosilylidyne	²Π	C_∞v
760	SiCl^-	silicon monochloride anion	³Σ	C_∞v
761	SiCl⁺	silicon monochloride cation	¹Σ	C_∞v
762	CBr	Carbon monobromide	²Π	C_∞v
763	GeF	Germanium monofluoride	²Π	C_∞v
764	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
765	GeCl	Germanium monochloride	²Π	C_∞v
766	GeCl⁺	Germanium monochloride cation
767	SiBr	Silicon monobromide	²Π	C_∞v
768	SiBr⁺	Silicon monobromide cation
769	NF	nitrogen fluoride	³Σ	C_∞v
770	NF	nitrogen fluoride	¹Σ	C_∞v
771	NF^-	nitrogen monofluorine anion	²Π	C_∞v
772	NF⁺	nitrogen monofluoirde cation	²Π	C_∞v
773	NCl	nitrogen monochloride	³Σ	C_∞v
774	NCl	nitrogen monochloride	¹Σ	C_∞v
775	NCl^-	nitrogen monochloride anion	²Π	C_∞v
776	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
777	PF	phosphorus monofluoride	³Σ	C_∞v
778	PF	phosphorus monofluoride	¹Δ	C_∞v
779	PF^-	phosphorus monofluoride anion	²Π	C_∞v
780	PF⁺	phosphorus monofluoride cation	²Π	C_∞v
781	PCl	phosphorus chloride	³Σ	C_∞v
782	PCl	phosphorus chloride	¹Σ	C_∞v
783	PCl^-	phosphorus monochloride anion	²Π	C_∞v
784	PCl⁺	phosphorus monochloride cation	²Π	C_∞v
785	AsF	Arsenic monofluoride	³Σ	C_∞v
786	AsF	Arsenic monofluoride	¹Δ	C_∞v
787	NBr	nitrogen monobromide	³Σ^-	C_∞v
788	AsCl	Arsenic monochloride	³Σ	C_∞v
789	PBr	Phosphorus monobromide
790	FO	Oxygen monofluoride	²Π	C_∞v
791	FO^-	flourine oxide anion	¹Σ	C_∞v
792	FO⁺	fluorine monoxide cation	³Σ	C_∞v
793	ClO	Monochlorine monoxide	²Π	C_∞v
794	ClO^-	chlorine monoxide anion	¹Σ	C_∞v
795	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
796	ClO⁺	chlorine monoxide cation	¹Σ	C_∞v
797	SF	Monosulfur monofluoride	²Π	C_∞v
798	SF^-	sulfur monofluoride anion	¹Σ	C_∞v
799	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
800	SF⁺	sulfur monofluoride cation	¹Σ	C_∞v
801	SCl	sulfur monochloride	²Π	C_∞v
802	SCl^-	sulfur monochloride anion	¹Σ	C_∞v
803	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
804	SCl⁺	sulfur monochloride cation	¹Σ	C_∞v
805	BrO	Bromine monoxide	²Π	C_∞v
806	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
807	BrO⁺	Bromine monoxide cation
808	SeF	Selenium monofluoride	²Π	C_∞v
809	SBr	Sulfur monobromide radical
810	SBr⁺	Sulfur monobromide cation
811	SeCl	Selenium monochloride	²Π	C_∞v
812	SeBr	Selenium monobromide
813	BrCl	Bromine monochloride	¹Σ	C_∞v
814	F₂	Fluorine diatomic	¹Σ_g	D_∞h
815	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
816	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
817	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
818	ClF^-	clorine monofluoride anion	²Σ	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	DOCl	Hypochlorous acid-d	¹A^'	C_s
842	HOCl	hypochlorous acid	¹A^'	C_s
843	HOCl⁺	hypochlorous acid cation
844	HOBr	Hypobromous acid	¹A^'	C_s
845	HOBr⁺	Hypobromous acid cation	²A^"	C_s
846	F₂H⁺	Fluorine, protonated	¹A^'	C_s
847	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
848	ClFH⁺	Chlorine fluoride, F-protonated
849	FClH⁺	Chlorine fluoride, Cl-protonated
850	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
851	CH₂Br	bromomethyl radical	²A^'	C_s
852	CH₂Br	bromomethyl radical
853	CH₂F	fluoromethyl radical	²A	C_s
854	CH₂F⁺	fluoromethyl cation
855	CH₂Cl⁺	chloromethyl cation
856	CH₂Cl	chloromethyl radical	²A^'	C_s
857	CH₂Cl	chloromethyl radical	²B₁	C_2v
858	NH₂F	monofluoroamine	¹A^'	C_s
859	NH₂Cl	chloramine	¹A^'	C_s
860	CH₃F⁺	methyl fluoride cation
861	CD₃F	methylfluoride-d3	¹A₁	C_3v
862	CH₃F	Methyl fluoride	¹A₁	C_3v
863	CD₃Cl	methyl chloride d3	¹A₁	C_3v
864	CH₃Cl	Methyl chloride	¹A₁	C_3v
865	CH₃Cl⁺	Methyl chloride cation
866	SiH₃F	monofluorosilane	¹A₁	C_3v
867	SiH₃Cl	chlorosilane	¹A₁	C₁
868	CH₃Br	methyl bromide	¹A₁	C_3v
869	GeH₃F	monofluorogermane
870	GeH₃Cl	monochlorogermane
871	SiH₃Br	bromosilane	¹A₁	C_3v
872	NH₃Cl⁺	protonated monochloroammonia
873	CH₃ClH⁺	methyl chloride, protonated
874	NH₄Cl	Ammonium chloride
875	LiNe⁺	Lithium Neon cation
876	Ne₂	Neon diatomic	¹Σ_g	D_∞h
877	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
878	Ar₂	Argon diatomic	¹S_g	D_∞h
879	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
880	Li₃	Lithium trimer	²B₂	C_2v
881	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
882	C₃	carbon trimer	¹Σ_g	D_∞h
883	C₃	carbon trimer	¹A₁	C_2v
884	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
885	SiC₂	Silicon dicarbide
886	C₃H₃	cyclopropenyl radical	²A^'	C_s
887	C₃H₃	Propargyl radical	²B₁	C_s
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 cation	¹A₁	C_2v
894	CH₃CHCH	1-propenyl radical	²A^'	C_s
895	Zn(CH₃)₂	dimethyl zinc	¹A₁^'	D_3h
896	C₃H₆	Cyclopropane	¹A₁^'	D_3h
897	CH₂CHCH₃	Propene	¹A^'	C_s
898	C₃H₇	n-Propyl radical	²A^"	C₁
899	C₃H₇⁺	cyclopropane, protonated
900	CH₃CHCH₃	Isopropyl radical	²A	C₂
901	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
902	C₃H₈	Propane	¹A₁	C_2v
903	SiH₂(CH₃)₂	dimethylsilane	¹A₁	C_2v
904	Si₃H₈	trisilane
905	LiCN	lithium cyanide	¹Σ	C*V LiCN
906	LiCN	lithium cyanide	¹A^'	C_s
907	LiCN	lithium cyanide	¹Σ	C*V LiNC
908	NaCN	Sodium Cyanide	¹Σ	C_∞v
909	NaCN	Sodium Cyanide	¹A	C_s
910	NaCN	Sodium Cyanide	¹Σ	C_∞v
911	KCN	Potassium cyanide	¹Σ	C_∞v
912	KCN	Potassium cyanide	¹Σ	C_∞v
913	KCN	Potassium cyanide	¹A^'	C_s
914	ZnCN	Zinc monocyanide	²Σ	C_∞v
915	ZnNC	Zinc isocyanide	²Σ	C_∞v
916	AlCN	Aluminum monocyanide
917	AlNC	Aluminum isocyanide
918	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
919	CNN	Diazocarbene
920	NCN	Cyanoimidogen	³Σ_g	D_∞h
921	NCN	Cyanoimidogen	¹Σ_g	D_∞h
922	N₃	azide radical	²Π_g	D_∞h
923	N₃^-	azide anion	¹Σ_G	D_∞h
924	N₃⁺	azide cation	³Σ_g	D_∞h
925	N₃⁺	azide cation	³Σ	C_∞v
926	HCCN	cyanomethylene	³A^"	C_s
927	HCCN	cyanomethylene	³Σ	C_∞v
928	HCCN	cyanomethylene
929	HN₃	hydrogen azide	¹A^'	C_s
930	HN₃⁺	Hydrazoic acid cation
931	HNCNH	diiminomethane	¹A	C₂
932	CH₂N₂	diazirine	¹A₁	C_2v
933	CH₂NN	diazomethane	¹A₁	C_2v
934	NH₂CN	cyanamide	¹A^'	C_s
935	NH₂CN	cyanamide	¹A₁	C_2v
936	HNNNH⁺	1,2-Triazadienium
937	NH₂NN⁺	hydrazoic acid, protonated
938	CH₃CN	Acetonitrile	¹A₁	C_3v
939	CH₃CN^-	acetonitrile anion	²E	C_3v
940	CH₃CN^-	acetonitrile anion	²A^'	C_s
941	CH₃CN⁺	Acetonitrile cation	²E	C_3v
942	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
943	CH₃NC	methyl isocyanide	¹A₁	C_3v
944	CHNCH₂	2H-Azirine
945	CHNHCH	1H-Azirine
946	H₂CCNH	Ethenimine
947	H₂CNCH	methyleneaminomethylene
948	HCCNH₂	Ethynamine
949	HCNCH₂⁺	2H-Azirine cation
950	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
951	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
952	NH₂CNH⁺	cyanamide, cn protonated
953	NH₃CN⁺	cyanamide, amine protonated
954	CH₂CHNH	vinylazine	²A^"	CS cis
955	CH₂CHNH	vinylazine	²A^"	CS trans
956	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
957	NHCHNH₂	aminomethanimine	¹A	C₁
958	C₂H₅N	Aziridine	¹A^'	C₁
959	CH₂CHNH₂	aminoethene	¹A	C₁
960	CH₃CHNH	ethanimine	¹A^'	CS NH up
961	CH₃CHNH	ethanimine	¹A^'	CS NH down
962	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
963	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
964	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
965	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
966	CH₃CH₂NH₂	Ethylamine
967	CH₃NHCH₃	Dimethylamine	¹A^'	C_s
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	NCO	isocyanato radical	²Π	C_∞v
984	SCN	thiocyanato radical	²Π	C_∞v
985	BO₂	Boron dioxide	²A^'	D_∞h
986	N₂O	Nitrous oxide	¹Σ	C_∞v
987	N₂O^-	Nitrous oxide anion	²A^'	C_s
988	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
989	NNS	Nitrogen sulfide	¹Σ	C_∞v
990	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
991	CO₂	Carbon dioxide	¹Σ_g	D_∞h
992	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
993	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
994	OCS	Carbonyl sulfide	¹Σ	C_∞v
995	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
996	SiO₂	silicon dioxide	¹Σ_g	D_∞h
997	CS₂	Carbon disulfide	¹Σ_g	D_∞h
998	CS₂^-	Carbon disulfide anion	²A₁	C_2v
999	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
1000	TiO₂	Titanium dioxide	¹A₁	C_2v
1001	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
1002	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
1003	OCSe	Carbonyl selenide	¹Σ	C_∞v
1004	SCSe	Carbon sulfide selenide
1005	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
1006	CSe₂	Carbon diselenide	¹A₁	D_∞h
1007	NO₂	Nitrogen dioxide	²A₁	C_2v
1008	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
1009	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
1010	NSO	sulfinyl amidogen
1011	PO₂	Phosphorus dioxide	²A₁	C_2v
1012	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
1013	SNO	Nitrogen oxide sulfide
1014	AsO₂	Aresenic dioxide	²A₁	C_2v
1015	O₃	Ozone	¹A₁	C_s
1016	O₃^-	Ozone anion	²B₁	C_2v
1017	O₃⁺	Ozone cation	²A₁	C_2v
1018	SO₂	Sulfur dioxide	¹A₁	C_2v
1019	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
1020	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
1021	SSO	Disulfur monoxide	¹A^'	C_s
1022	S₃	Sulfur trimer	¹A₁	C_2v
1023	S₃	Sulfur trimer
1024	S₃^-	Sulfur trimer anion	²B₁	C_2v
1025	S₃⁺	Sulfur trimer cation	²B₂	C_2v
1026	SeO₂	Selenium dioxide	¹A₁	C_2v
1027	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
1028	HCCO	ketenyl radical	²Π	C_∞v
1029	HCCO	ketenyl radical	²A^"	C_s
1030	HCNO	fulminic acid	¹Σ	C_∞v
1031	HCNO	fulminic acid	¹A^'	C_s
1032	HNCO	Isocyanic acid	¹A^'	C_s
1033	HOCN	cyanic acid	¹A^'	C_s
1034	HNCS	Isothiocyanic acid
1035	HNCS	Isothiocyanic acid
1036	HSCN	thiocyanic acid	¹A^'	C_s
1037	HCO₂^-	formate anion	¹A₁	C_2v
1038	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
1039	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
1040	HCOO	formate neutral radical	²A^'	C_s
1041	HOCO	Hydrocarboxyl radical	¹A^'	cis
1042	HOCO	Hydrocarboxyl radical	¹A^'	trans
1043	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
1044	HNO₂	Nitrous acid	¹A^'	C_s
1045	HNO₂⁺	nitrous acid cation	²A^'	C_s
1046	O₃H⁺	protonated ozone	¹A^'	C_s
1047	O₃H⁺	protonated ozone
1048	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
1049	C₂H₂O	Oxirene	¹A₁	C_2v
1050	CH₂CO	Ketene	¹A₁	C_2v
1051	CH₂CO⁺	Ketene cation	²B₁	C_2v
1052	HCCOH	ethynol	¹A^'	C_s
1053	CH₂CS	Thioketene
1054	Be(OH)₂	Beryllium hydroxide
1055	Be(OH)₂	Beryllium hydroxide
1056	Be(OH)₂	Beryllium hydroxide
1057	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
1058	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
1059	NH₂NO	Nitrosamide	¹A	C₁
1060	CH₂O₂	Dioxirane	¹A₁	C_2v
1061	H₂COO	Dioxymethyl radical	²A^'	C_s
1062	H₂COO⁺	dioxymethyl cation	²A^'	C_s
1063	HCOOH	Formic acid	¹A^'	C_s
1064	HCOOH	Formic acid
1065	H₂O₃	Hydrogen trioxide	¹A	C₂
1066	HSSSH	trisulfane	¹A	C₂
1067	HSSSH	trisulfane	¹A^'	C_s
1068	NaOCH₃	Sodium methoxide	¹A₁	C_3v
1069	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
1070	BH₃CO	Borane carbonyl	¹A₁	C_3v
1071	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
1072	CH₂COH⁺	ketene, protonated
1073	CH₃CO	Acetyl radical	²A^'	C_s
1074	CH₃CO^-	Acetyl anion	¹A^'	C_s
1075	CH₃CO⁺	acetyl cation	¹A₁	C_3v
1076	CH₂NOH	formaldoxime	¹A^'	C_s
1077	CH₃NO	nitrosomethane	¹A^'	C_s
1078	CHONH₂	formamide	¹A^'	Planar
1079	CHONH₂	formamide	¹A	Non-Planar
1080	CNOH₃	1,2-oxaziridine	¹A	C₁
1081	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
1082	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
1083	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
1084	CHSNH₂	thioformamide
1085	NHCHSH	Methanimidothioic acid
1086	CH₃OO	methylperoxy radical	²A^"	C_s
1087	CH₃OO^-	methylperoxy anion	¹A^'	C_s
1088	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
1089	C₂H₄O	Ethylene oxide	¹A₁	C_2v
1090	C₂H₄O⁺	ethylene oxide cation
1091	CH₂CHOH	ethenol	¹A^'	C_s
1092	CH₃CHO	Acetaldehyde	¹A^'	C_s
1093	CH₃CHO⁺	acetaldehyde cation
1094	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
1095	C₂H₄S	Thiirane	¹A₁	C_2v
1096	CH₂CHSH	Ethenethiol
1097	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
1098	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
1099	NH₂CHOH⁺	Formamide, O-protonated
1100	CH₂(OH)₂	methanediol	¹A	C₂
1101	CH₃OOH	Methyl peroxide	¹A	C₁
1102	CH₃SSH	Hydrogen methyl disulfide
1103	HSCH₂SH	Methanedithiol
1104	H₂OH₂CO	water formaldehyde dimer	¹A	C₁
1105	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
1106	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
1107	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
1108	CH₃CH₂O	Ethoxy radical	²A^'	C_s
1109	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
1110	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
1111	CH₃OCH₂	methoxymethyl radical	²A	C₁
1112	NH₂CH₂OH	aminomethanol
1113	CH₃CH₂OH	Ethanol	¹A^'	C_s
1114	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
1115	CH₃CH₂SH	ethanethiol	¹A^'	C_s
1116	CH₃CH₂SH	ethanethiol	¹A	C₁
1117	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
1118	CH₃SCH₃⁺	dimethyl sulfide cation
1119	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
1120	CH₃OHH₂O	methanol water dimer	¹A^'	C₁
1121	H₂OCH₃OH	water methanol dimer	¹A	C₁
1122	CuF₂	Copper difluoride	²Π_g	D_∞h
1123	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
1124	CNF	iso cyanogen fluoride	¹Σ	C_∞v
1125	FCN	Cyanogen fluoride	¹Σ	C_∞v
1126	ClCN	chlorocyanogen	¹Σ	C_∞v
1127	BrCN	Cyanogen bromide	¹Σ	C_∞v
1128	FBO	Boron monofluoride monoxide
1129	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
1130	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
1131	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
1132	MgCl₂	Magnesium dichloride	¹Σ_g	C_2v
1133	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
1134	BeBr₂	Beryllium bromide
1135	CaBr₂	Calcium dibromide
1136	CaF₂	Calcium difluoride	¹Σ_g	C_2v
1137	FCO	Carbonyl fluoride	²A^'	C_s
1138	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
1139	ClCO	carbonyl monochloride	²A^'	C_s
1140	BF₂	Boron difluoride radical	²A₁	C_2v
1141	FNO	Nitrosyl fluoride	¹A^'	C_s
1142	ClNO	Nitrosyl chloride	¹A^'	C_s
1143	FNS	Thionitrosyl fluoride	¹A^'	C_s
1144	FSN	Thiazyl fluoride	¹A^'	C_s
1145	OPCl	Phosphorus oxychloride
1146	CF₂	Difluoromethylene	¹A₁	D_∞h
1147	CF₂^-	Difluoromethylene anion	²B₁	C_2v
1148	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
1149	CFCl	chlorofluoromethylene	¹A^'	C_s
1150	SiF₂	Silicon difluoride	¹A₁	C_2v
1151	SiF₂	Silicon difluoride	³B₁	C_2v
1152	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
1153	CCl₂	dichloromethylene	¹A₁	C_2v
1154	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
1155	SiCl₂	Dichlorosilylene	¹A₁	C_2v
1156	GeF₂	Germanium difluoride	¹A₁	C_2v
1157	GeCl₂	Germanium dichloride	¹A₁	C_2v
1158	CBr₂	dibromomethylene	¹A₁	C_2v
1159	CBr₂	dibromomethylene	³B₁	C_2v
1160	FOO	Dioxygen monofluoride radical	²A^"	C_s
1161	FOO⁺	Fluorine dioxide cation
1162	ClOO	chloroperoxy radical	²A^"	C_s
1163	ClOO⁺	chloroperoxy cation	¹A^'	C_s
1164	OClO	Chlorine dioxide	²B₁	D_∞h
1165	OClO^-	Chlorine dioxide anion	¹A^'	C_s
1166	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
1167	ClSO	Sulfur chloride oxide	²A^"	C_s
1168	ClS₂	Sulfur chloride	²A^"	C_s
1169	BrOO	Bromine dioxide
1170	OBrO	Bromine dioxide radical	²B₁	C_2v
1171	NF₂	Difluoroamino 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	F₂O	Difluorine monoxide	¹A₁	C_2v
1177	ClOF	Chlorine hypofluorite	¹A^'	C_s
1178	SF₂	sulfur difluoride	¹A₁	C_2v
1179	SF₂^-	sulfur difluoride anion	²A^'	C_s
1180	SF₂^-	sulfur difluoride anion	²Π	D_∞h
1181	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
1182	Cl₂O	Dichlorine monoxide	¹A₁	C_2v
1183	SCl₂	Sulfur dichloride	¹A₁	C_2v
1184	SeF₂	Selenium difluoride
1185	SeCl₂	Selenium Dichloride
1186	SBr₂	Sulfur dibromide
1187	SeBr₂	Selenium dibromide
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	HCCCl	Chloroacetylene	¹Σ	C_∞v
1194	HCCBr	bromoacetylene	¹Σ	C_∞v
1195	HFCO	formyl fluoride	¹A^'	C_s
1196	HFCO⁺	formyl fluoride cation	²A^'	C_s
1197	BHF₂	Difluoroborane	¹A₁	C_2v
1198	BHCl₂	Borane, dichloro-	¹A₁	C_2v
1199	CHCl₂	dichloromethyl radical	²B₁	C_2v
1200	CHCl₂	dichloromethyl radical	²A^'	C_s
1201	CHF₂	difluoromethyl radical	²A	C_s
1202	CHF₂⁺	difluoromethyl cation
1203	CHFCl	Chlorofluoromethyl radical
1204	CHFCl⁺	Chlorofluoromethyl cation
1205	CHCl₂⁺	dichloromethyl cation
1206	CHBr₂	dibromomethyl radical
1207	NHF₂	difluoramine
1208	NHCl₂	dichloroamine
1209	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
1210	CH₂FCl	fluorochloromethane	¹A^'	C_s
1211	SiH₂F₂	difluorosilane
1212	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
1213	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
1214	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
1215	CH₂Br₂	dibromomethane	¹A₁	C_2v
1216	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
1217	CH₃MgBr	Methyl Magnesium Bromide
1218	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
1219	CH₂CHF⁺	fluoroethene cation	²A^"	C_s
1220	C₂H₃Cl	Ethene, chloro-	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	CH₃CH₂Cl	Ethyl chloride	¹A^'	C_s
1228	C₂H₅Br	Ethyl bromide	¹A^'	C_s
1229	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
1230	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
1231	C₄	Carbon tetramer	³Σ_g	D_∞h
1232	C₄	Carbon tetramer
1233	C₄⁺	Carbon tetramer cation	²Π_g	D_∞h
1234	C₄H₂	Diacetylene	¹Σ_g	D_∞h
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	C₄H₆	Cyclobutene	¹A₁	C_2v
1242	C₄H₆	Methylenecyclopropane	¹A₁	C_2v
1243	CH₂CCHCH₃	1,2-Butadiene	¹A^'	C₁
1244	CH₂CHCHCH₂	1,3-Butadiene	¹A_g	C_2h
1245	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
1246	CH₃CCCH₃	2-Butyne	¹A₁^'	D_3h
1247	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
1248	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
1249	C₄H₈	methylcyclopropane	¹A^'	C_s
1250	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	¹A₁	C_2v
1251	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
1252	CH₃CHCHCH₃	2-Butene, (E)-	¹A_g	C_2h
1253	CH₃CHCHCH₃	2-Butene, (Z)-	¹A₁	C_2v
1254	Al(CH₃)₃	trimethyl aluminum	¹A^'	C_3h
1255	C(CH₃)₃	Tert-butyl radical	²A^"	C_3v
1256	CH₂CH(CH₃)₂	Isobutyl radical	²A^'	C₁
1257	CH₃CHCH₂CH₃	2-Butyl radical	¹A	C₁
1258	CH₃CH(CH₃)CH₃	Isobutane	¹A₁	C_3v
1259	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
1260	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
1261	SiH(CH₃)₃	trimethylsilane	¹A₁	C_3v
1262	Li₃N	trilithium nitride	¹A^'	D_3h
1263	Li₃N	trilithium nitride	¹A₁	C_3v
1264	C₂N₂	Cyanogen	¹Σ_g	D_∞h
1265	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
1266	P₄	Phosphorus tetramer	¹A₁	T_d
1267	As₄	Arsenic tetramer	¹A₁	T_d
1268	HCCCN	Cyanoacetylene	¹Σ	C_∞v
1269	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
1270	H₂CNCN	cyanamide, methylene
1271	HNCCNH	Ethenediimine
1272	C₃H₃N	acrylonitrile	¹A^'	C_s
1273	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
1274	CH₃N₃	methyl azide	¹A^'	C_s
1275	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
1276	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
1277	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
1278	C₂H₅CN	ethyl cyanide	¹A^'	C_s
1279	CH₅N₃	Guanidine	¹A	C₁
1280	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
1281	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
1282	H₂NCHCHNH₂	diaminoethylene
1283	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
1284	CH₆N₃⁺	guanidinium	¹A₁	D₃
1285	C₃H₇N	Cyclopropylamine	¹A^'	C₁
1286	CH₇N₃	triaminomethane
1287	C₄H₈	cyclobutane	¹A₁	D_2d
1288	C₂H₈N₂	Ethylenediamine	¹A_g	C_2h
1289	CH₃NHNHCH₃	dimethyl hydrazine	¹A	C₂
1290	CH₃CH(NH₂)CH₃	2-Propanamine	¹A^'	C_s
1291	N(CH₃)₃	Trimethylamine	¹A₁	C_3v
1292	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
1293	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
1294	N(SiH₃)₃	trisilylamine
1295	(CH₃)₃NH⁺	protonated trimethyl amine
1296	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
1297	K₂O₂	dipotassium dioxide
1298	C₃O	Tricarbon monoxide	¹Σ	C_∞v
1299	B₂O₂	Diboron dioxide	¹Σ_g	D_∞h
1300	ONNO	NO dimer	¹A_g	trans C2H
1301	ONNO	NO dimer	¹A₁	cis C2V
1302	S₂N₂	Disulfur dinitride	¹A_G	D_2h
1303	CO₃^--	carbonate	¹A₁^'	D_3h
1304	CS₃^--	Carbonotrithioate
1305	NO₃	Nitrogen trioxide	²A₁^'	all bonds equal
1306	NO₃^-	nitrate anion	¹A₁^'	D_3h
1307	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
1308	SO₃	Sulfur trioxide	¹A₁^'	D_3h
1309	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
1310	SO₃^--	Sulfate dianion
1311	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
1312	SeO₃	selenium trioxide	¹A₁^'	D_3h
1313	S₄	Sulfur tetramer
1314	S₄	Sulfur tetramer
1315	S₄	Sulfur tetramer
1316	HCO₃^-	bicarbonate anion	¹A^'	C_s
1317	HNO₃	Nitric acid	¹A^'	C_s
1318	HSO₃	Hydroxysulfonyl radical	²A	C₁
1319	NH₂NO₂	nitramide	¹A^'	C_s
1320	C₃H₂O	Propadienal
1321	C₃H₂O	Propadienal
1322	C₂H₂O₂	Ethanedial	¹A_g	C_2h
1323	C₂H₂O₂⁺	Ethanedial cation	²A_G	C_2h
1324	H₂CO₃	Carbonic acid	¹A₁	C_2v
1325	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
1326	H₂SO₃	Sulfurous acid	¹A^'	C_s
1327	C₂H₃NO	Nitrosoethylene
1328	CH₃NCO	methylisocyante
1329	HOCH₂CN	cyanomethanol
1330	CH₃COO^-	acetate anion	¹A^'	eclipsed
1331	CH₃NO₂	Methane, nitro-	¹A^'	C_s
1332	CH₃ONO	Methyl nitrite	¹A^'	C₁
1333	NH₂COOH	Carbamic acid	¹A^'	C_s
1334	NH₂COOH	Carbamic acid	¹A	C₁
1335	H₃BO₃	Boric acid	¹A^'	C_3h
1336	H₃AlO₃	Aluminum hydroxide
1337	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
1338	C₃H₄O	2-Propyn-1-ol	¹A^'	C_s
1339	C₃H₄O	allenol	¹A^'	C_s
1340	C₃H₄O	Cyclopropanone	¹A₁	C_2v
1341	C₃H₄O	Methylketene	¹A^'	C_s
1342	CH₂CHCHO	Acrolein	¹A^'	C_s
1343	CH₂CHCHO	Acrolein
1344	NH₂CONH₂	Urea	¹A	C₂
1345	NH₂CONH₂	Urea	¹A^'	C_s
1346	NH₂CONH₂	Urea	¹A₁	C_2v
1347	NH₂CONH₂⁺	Urea cation	²A₂	C₂
1348	NH₂CSNH₂	Thiourea	¹A	C₂
1349	C₂H₄O₂	1,3-dioxetane	¹A_g	D_2h
1350	CH₃COOH	Acetic acid	¹A^'	C_s
1351	CH₃OCHO	methyl formate	¹A^'	C_s
1352	CHOCH₂OH	hydroxy acetaldehyde	¹A^'	CS H in
1353	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
1354	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
1355	H₂OHCOOH	Water formic acid dimer 1	¹A	C₁
1356	H₂OHCOOH	Water formic acid dimer 2	¹A	C₁
1357	HCOOHH₂O	Formic acid water dimer	¹A	C₁
1358	CH₃COCH₂	Acetonyl radical	²A^"	C_s
1359	CH₂C(OH)NH₂	1-amino vinyl alchohol
1360	CH₃C(OH)=NH	Ethaninidic acid
1361	CH₃CHNOH	Acetaldoxime	¹A^'	CS trans
1362	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
1363	CH₃CONH₂	Acetamide	¹A^'	C₁
1364	HCONHCH₃	N-methylformamide	¹A^'	CS cis
1365	HCONHCH₃	N-methylformamide	¹A^'	CS trans
1366	CH₃CSNH₂	Ethanethioamide
1367	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
1368	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
1369	C₂H₅OO	ethylperoxy radical	²A^'	C_s
1370	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
1371	C₃H₅OH	Cyclopropanol	¹A	C₁
1372	C₃H₆O	2-Propen-1-ol	¹A	C₁
1373	C₃H₆O	Acetone enol	¹A^'	C_s
1374	C₃H₆O	Oxetane	¹A₁	C_2v
1375	C₃H₆O	Oxetane	¹A^'	C_s
1376	C₃H₆O	Propylene oxide	¹A	C₁
1377	CH₃CH₂CHO	Propanal	¹A^'	C_s
1378	CH₃COCH₃	Acetone	¹A₁	C_2v
1379	CH₃COCH₃	Acetone	³A^"	C_s
1380	CH₃COCH₃^-	acetone anion	²A^'	C_s
1381	C₃H₆S	Thietane	¹A^'	C_s
1382	C₃H₆S	Thiirane, methyl-	¹A	C₁
1383	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
1384	C₂H₆O₂	1,2-Ethanediol	¹A_g	C_2h
1385	CH₃OOCH₃	dimethylperoxide	¹A_g	C_2h
1386	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
1387	CH₂SHCH₂SH	1,2-Ethanedithiol	¹A_g	C_2h
1388	CH₃SSCH₃	Disulfide, dimethyl	¹A	C₂
1389	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
1390	C₃H₇OH	1-Propanol	¹A^'	C_s
1391	C₃H₇OH	1-Propanol
1392	CH₃CHOHCH₃	Isopropyl alcohol	¹A	C₁
1393	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
1394	C₃H₇SH	1-Propanethiol	¹A^'	C_s
1395	CH₃CHSHCH₃	2-Propanethiol	¹A^'	C_s
1396	CH₃SCH₂CH₃	Ethane, (methylthio)-	¹A^'	C_s
1397	H₂OCH₃OCH₃	water dimethylether dimer	¹A	C₁
1398	Li₂F₂	Lithium fluoride dimer
1399	Na₂Cl₂	Disodium dichloride	¹A_g	C_2h
1400	C₂F₂	difluoroacetylene	¹Σ_g	D_∞h
1401	C₂Cl₂	dichloroacetylene	¹Σ_g	C_2h
1402	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
1403	FNO₂	Nitryl fluoride	¹A₁	C_2v
1404	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
1405	ClNO₂	Nitryl chloride	¹A₁	C_2v
1406	ClONO	chlorine nitrite	¹A^'	CS cis
1407	N₂F₂	(Z)-Difluorodiazene	¹A₁	C_2v
1408	N₂F₂	Dinitrogen difluoride, (E)-	¹A_g	C_2h
1409	CF₂O	Carbonic difluoride	¹A₁	C_2v
1410	CF₂O⁺	Carbonic difluoride cation
1411	CCl₂O	Phosgene	¹A₁	C_2v
1412	Cl₂CS	Thiophosgene	¹A₁	C_2v
1413	BF₃	Borane, trifluoro-	¹A^'	D_3h
1414	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
1415	BF₃⁺	boron trifluoride cation	²B₂	C_2v
1416	BF₃⁺	boron trifluoride cation
1417	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1418	BClF₂	Chlorodifluoroborane
1419	AlF₂Cl	Aluminum chloride difluoride	¹A₁	C_2v
1420	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
1421	AlFCl₂	Aluminum dichloride fluoride	¹A₁	C_2v
1422	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1423	BCl₃⁺	Boron Trichloride cation
1424	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1425	AlCl₃	Aluminum trichloride	¹A₁^'	D_3h
1426	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1427	BBr₃	Boron tribromide	¹A₁^'	D_3h
1428	ClO₃^-	chlorate anion	¹A₁	C_3v
1429	CF₃	Trifluoromethyl radical	²A₁	C_3v
1430	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1431	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1432	CF₂Cl	difluorochloromethyl radical
1433	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1434	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1435	CFCl₂	dichlorofluoromethyl radical
1436	CCl₃	Trichloromethyl radical	²A₁	C₃
1437	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
1438	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
1439	SiCl₃	trichlorosilyl radical	²A₁	C_3v
1440	SiCl₃⁺	trichlorosilyl cation	¹A₁^'	D_3h
1441	CBr₃	tribromomethyl radical
1442	FOOF	Perfluoroperoxide	¹A	C₂
1443	ClO₂F	Chloryl fluoride	¹A^'	C_s
1444	F₂SO	Thionyl Fluoride	¹A^'	C_s
1445	ClOOCl	Dichlorine dioxide	¹A	C₂
1446	FSSF	Difluorodisulfane	¹A	C₂
1447	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
1448	SOCl₂	thionyl chloride	¹A^'	C_s
1449	SSCl₂	Thiothionyl chloride
1450	SeOCl₂	selenium oxychloride	¹A^'	C_s
1451	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1452	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
1453	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
1454	PF₃	Phosphorus trifluoride	¹A₁	C_3v
1455	NCl₃	nitrogen trichloride	¹A₁	C_3v
1456	PCl₃	Phosphorus trichloride	¹A₁	C_3v
1457	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1458	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1459	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1460	ClSSCl	Disulfur dichloride	¹A	C₂
1461	SF₃	Sulfur trifluoride	²A^'	C_s
1462	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1463	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1464	BrF₃	Bromine trifluoride	¹A₁	C_2v
1465	HClO₃	Chloric Acid	¹A^'	C_s
1466	HClO₃	Chloric Acid	¹A	C₁
1467	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1468	CHF₂Cl	difluorochloromethane	¹A^'	C_s
1469	SiHF₃	trifluorosilane
1470	CHFCl₂	fluorodichloromethane	¹A^'	C_s
1471	CDCl₃	trichloromethane-d	¹A₁	C_3v
1472	CHCl₃	Chloroform	¹A₁	C_3v
1473	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1474	SiHCl₃	Trichlorosilane	¹A₁	C_3v
1475	CHFClBr	fluorochlorobromomethane	¹A	C₁
1476	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1477	CHBr₂F	dibromofluoromethane
1478	CHBr₃	bromoform	¹A₁	C_3v
1479	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1480	AsF₃H⁺	Arsenic trifluoride, protonated
1481	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	¹A_g	C_2h
1482	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	¹A₁	C_2v
1483	CH₂CF₂	Ethene, 1,1-difluoro-	¹A₁	C_2v
1484	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1485	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1486	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1487	CH₂CCl₂	Ethene, 1,1-dichloro-	¹A₁	C_2v
1488	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	¹A_g	C_2h
1489	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	¹A₁	C_2v
1490	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1491	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1492	CH₃COF	Acetyl fluoride	¹A^'	NULL
1493	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
1494	CH₂ClCHO	chloroacetaldehyde	¹A^'	CS eclipsed, cis
1495	CH₃COCl	Acetyl Chloride	¹A^'	C_s
1496	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1497	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1498	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1499	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1500	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1501	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	¹A	C₁
1502	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A_g	C_2h
1503	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1504	CH₃CHCl₂	Ethane, 1,1-dichloro-	¹A^'	C_s
1505	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1506	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1507	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1508	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1509	CH₂CHCH₂F	Allyl Fluoride
1510	CH₂CHCH₂F	Allyl Fluoride
1511	CH₃CHCHF	trans-1-Fluoro-1-propene
1512	C₃H₅Cl	1-Propene, 3-chloro-	¹A	C₁
1513	C₃H₅Cl	1-chloro-1-propene(E)	¹A^'	C_s
1514	C₃H₅Cl	1-chloro-1-propene(Z)	¹A^'	C_s
1515	CH₂FCH₂OH	2-fluoroethanol
1516	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1517	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1518	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1519	CH₂FCH₂CH₃	1-Fluoropropane
1520	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1521	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A^'	anti
1522	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1523	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
1524	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
1525	B₅H₉	pentaborane9
1526	C₅H₄	pentatetraene
1527	C₅H₅	cyclopentadienyl radical	²E₁^"	D_5h
1528	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1529	C₅H₅^-	cylopentadienyl anion	¹A₁^'	D_5h
1530	C₅H₆	1,3-Cyclopentadiene	¹A₁	C_2v
1531	C₅H₆	1-Buten-3-yne, 2-methyl-	¹A^'	C_s
1532	C₅H₆	3-Penten-1-yne, (E)-	¹A^'	C_s
1533	C₅H₆	3-Penten-1-yne, (Z)-	¹A^'	C_s
1534	C₅H₆	Bicyclo[2.1.0]pent-2-ene	¹A^'	C_s
1535	C₅H₆	Cyclopropylacetylene	¹A^'	C₁
1536	C₅H₆	Propellane	¹A₁	D_3h
1537	C₅H₇	1,3-pentadienyl radical	²B₁	C_2v
1538	C₅H₇	cyclopentenyl radical	²A₂	C_2v
1539	C₅H₈	1,2-Butadiene, 3-methyl-	¹A₁	C_2v
1540	C₅H₈	1,2-Pentadiene	¹A^'	C₁
1541	C₅H₈	1,3-Butadiene, 2-methyl-	¹A^'	C_s
1542	C₅H₈	1,3-Pentadiene, (E)-	¹A^'	C₁
1543	C₅H₈	1,3-Pentadiene, (Z)-	¹A^'	C_s
1544	C₅H₈	1,4-Pentadiene	¹A	C₂
1545	C₅H₈	1-pentyne	¹A^'	C_s
1546	C₅H₈	2,3-Pentadiene	¹A	C₁
1547	C₅H₈	Bicyclo[1.1.1]pentane
1548	C₅H₈	Cyclobutane, methylene-	¹A^'	C_s
1549	C₅H₈	Cyclopentene	¹A^'	C_s
1550	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1551	C₅H₁₀	1-Butene, 2-methyl-	¹A	C₁
1552	C₅H₁₀	2-Butene, 2-methyl-	¹A^'	C_s
1553	C₅H₁₀	2-Pentene, (E)-	¹A^'	C_s
1554	C₅H₁₀	2-Pentene, (Z)-	¹A	C₁
1555	C₅H₁₀	Cyclopentane	¹A	C₁
1556	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	¹A₁	C₁
1557	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1558	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1559	C₅H₁₁	2-Methylbut-2-yl radical	¹A	C₁
1560	C₅H₁₂	Butane, 2-methyl-	¹A	C₁
1561	C₅H₁₂	Pentane	¹A₁	C_2v
1562	C₅H₁₂	Propane, 2,2-dimethyl-	¹A₁	T_d
1563	Si(CH₃)₄	tetramethylsilane	¹A₁	T_d
1564	N₂O₃	Dinitrogen trioxide	¹A^'	C_s
1565	C₃H₂N₂	Malononitrile	¹A₁	C_s
1566	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1567	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1568	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1569	C₄H₄N	pyrrolide radical	²A₂	C_2v
1570	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1571	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1572	C₃H₄N₂	1H-Pyrazole	¹A^'	C_s
1573	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1574	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1575	C₄H₅N	(E)-2-Butenenitrile	¹A^'	C_s
1576	C₄H₅N	(Z)-2-Butenenitrile	¹A^'	C_s
1577	C₄H₅N	Cyclopropanecarbonitrile	¹A^'	C_s
1578	C₄H₅N	Pyrrole	¹A₁	C_2v
1579	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1580	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1581	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1582	C₃H₆N₂	3-Aminopropionitrile	¹A^'	C_s
1583	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1584	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1585	C₅H₈	Bicyclo[2.1.0]pentane	¹A^'	C_s
1586	C₅H₈	Spiropentane	¹A₁	D_2d
1587	C₄H₉N	Cyclobutylamine	¹A^'	C_s
1588	C₄H₉N	Pyrrolidine	¹A^'	C_s
1589	C₃H₁₀N₂	1,2-Diaminopropane	¹A	C₁
1590	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	¹A	C₁
1591	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	¹A	C₁
1592	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	¹A^'	C_s
1593	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	¹A	C₁
1594	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1595	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1596	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1597	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
1598	B₂O₃	diboron trioxide
1599	B₂O₃	diboron trioxide
1600	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1601	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1602	CaCO₃	Calcium Carbonate	¹A₁	C_2v
1603	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1604	PO₄^---	phosphate	¹A₁	T_d
1605	SO₄^--	sulfate	¹A₁	T_d
1606	HOONO₂	peroxy nitric acid	¹A	C₁
1607	HSO₄^-	bisulfate anion	¹A^'	C_s
1608	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1609	CHOCOOH	oxo acetic acid	¹A^'	C_s
1610	CHOOCHO	diformyl ether
1611	H₂SO₄	Sulfuric acid	¹A	C₁
1612	H₂SeO₄	Selenic acid	¹A	C₂
1613	C₃H₃NO	Isoxazole	¹A^'	C_s
1614	C₃H₃NO	Oxazole	¹A^'	C_s
1615	C₃H₃NS	Thiazole
1616	CH₃NO₃	Methyl nitrate	¹A^'	C_s
1617	H₃PO₄	Phosphoric Acid	¹A	C₃
1618	C₄H₄O	Furan	¹A₁	C₂
1619	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1620	C₄H₄S	Thiophene	¹A₁	C_2v
1621	C₄H₄Se	selenophene
1622	C₃H₄O₂	β–Propiolactone	¹A^'	C_s
1623	C₃H₄O₂	2-Propenoic acid	¹A^'	C_s
1624	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1625	C₃H₄O₂	propanedial	¹A	C₁
1626	C₃H₄O₂	propenalol	¹A^'	C_s
1627	HOCHCCHOH	allenediol	¹A	C₂
1628	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1629	C₂H₄O₃	trioxolane124	¹A	C₂
1630	HOCH₂COOH	Hydroxyacetic acid	¹A	C_s
1631	CH₂CHCONH₂	Acrylamide	¹A	C_s
1632	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1633	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1634	CH₅N₃S	Hydrazinecarbothioamide	¹A	C₁
1635	H₂NCH₂COOH	Glycine	¹A^'	C_s
1636	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1637	C₄H₆O	cis-2-butenal	¹A	C_s
1638	C₄H₆O	Cyclobutanone	¹A₁	C_2v
1639	C₄H₆O	Furan, 2,3-dihydro-	¹A	C₁
1640	C₄H₆O	Furan, 2,5-dihydro-	¹A₁	C_s
1641	CH₂CHOCHCH₂	Vinyl ether	¹A₁	C_2v
1642	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1643	CHOCHCHCH₃	2-Butenal	¹A^'	C_s
1644	C₄H₆S	Thiophene, 2,3-dihydro-	¹A	C₁
1645	C₄H₆S	Thiophene, 2,5-dihydro-	¹A₁	C_2v
1646	CH₂CHSCHCH₂	Divinyl sulfide	¹A	C_2v
1647	CH₂CHSCHCH₂	Divinyl sulfide
1648	C₂H₆N₂O	Urea, methyl-	¹A	C₁
1649	C₃H₆O₂	1,3-Dioxolane	¹A	C₂
1650	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1651	CH₃COOCH₃	methyl acetate	¹A^'	C_s
1652	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1653	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1654	CH₃SSSCH₃	dimethyl trisulfide	¹A	C₂
1655	C₃H₇NO	dimethylformamide	¹A^'	C_s
1656	C₃H₇NO	Propanamide	¹A^'	C₁
1657	C₂H₃OC₂H₅	Ethene, ethoxy-	¹A	C₁
1658	C₄H₈O	Cyclobutanol	¹A^'	C₁
1659	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	¹A	C₁
1660	CH₃COCH₂CH₃	2-Butanone	¹A^'	C_s
1661	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	¹A^'	C_s
1662	CHOCH₂CH₂CH₃	Butanal	¹A^'	C_s
1663	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1664	C₃H₈O₂	1,3-Propanediol	¹A	C₁
1665	C₃H₈O₂	Hydroperoxide, 1-methylethyl	¹A	C₁
1666	C₃H₈O₂	Methane, dimethoxy-	¹A₁	C_2v
1667	C₃H₈O₂	Propylene glycol	¹A	C₁
1668	C₃H₈S₂	1,3-Propanedithiol	¹A₁	C₁
1669	C₄H₁₀O	1-Butanol	¹A^'	C_s
1670	C₄H₁₀O	1-Propanol, 2-methyl-	¹A	C₁
1671	C₄H₁₀O	2-Butanol, (.+/-.)-	¹A	C₁
1672	C₄H₁₀O	Ethanol, 1,1-dimethyl-	¹A^'	C_s
1673	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1674	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1675	C₄H₁₀O	Propane, 2-methoxy-	¹A^'	C_s
1676	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1677	C₂H₅SC₂H₅	Diethyl sulfide	¹A₁	C_2v
1678	C₄H₉SH	1-Butanethiol
1679	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	¹A	C₁
1680	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-
1681	CH₃CH(SH)CH₂CH₃	2-Butanethiol	¹A	C₁
1682	FNO₃	Fluorine nitrate	¹A^'	C_s
1683	ClONO₂	Chlorine nitrate	¹A^'	C_s
1684	BrONO₂	Bromine nitrate	¹A^'	C_s
1685	TiCl₄	Titanium tetrachloride	¹A₁	T_d
1686	ClO₄^-	perchlorate anion	¹A₁	T_d
1687	BF₄^-	tetrafluoroboron anion	¹A₁	T_d
1688	ClFO₃	Perchloryl fluoride	¹A₁	C_s
1689	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1690	SO₂Cl₂	Sulfuryl chloride	¹A₁	C_2v
1691	F₃NO	Nitrogen trifluoride oxide	¹A₁	C_3v
1692	F₃PO	Phosphoryl fluoride	¹A₁	C_3v
1693	Cl₃PO	Phosphoryl chloride	¹A₁	C_3v
1694	CF₄	Carbon tetrafluoride	¹A₁	T_d
1695	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1696	SiF₄	Silicon tetrafluoride	¹A₁	T_d
1697	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1698	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1699	CFCl₃	Trichloromonofluoromethane	¹A₁	C_3v
1700	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1701	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1702	CCl₄	Carbon tetrachloride	¹A₁	T_d
1703	SiCl₄	Silane, tetrachloro-	¹A₁	T_d
1704	CBrCl₂F	bromodichlorofluoromethane
1705	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1706	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1707	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1708	CBr₂ClF	dibromochlorofluoromethane
1709	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1710	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1711	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1712	CBr₄	Carbon tetrabromide	¹A₁	T_d
1713	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1714	GeBr₄	Germanium tetrabromide
1715	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1716	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1717	SeF₄	Selenium tetrafluoride
1718	SCl₄	Sulfur tetrachloride
1719	C₂HF₃	Trifluoroethylene	¹A^'	C_s
1720	CHClCCl₂	Trichloroethylene	¹A^'	C_s
1721	HClO₄	perchloric acid	¹A	C_s
1722	HSO₃F	Fluorosulfonic acid	¹A	C₁
1723	CF₃OH	trifluoromethanol	¹A^'	C_s
1724	CH₂ClCCCl	1,3-dichloropropyne
1725	CHCl₂CCH	3,3-dichloropropyne
1726	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
1727	CHCl₂CHO	dichloroacetaldehyde
1728	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1729	CH₃CF₃	Ethane, 1,1,1-trifluoro-	¹A₁	C_3v
1730	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1731	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1732	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
1733	CH₂ClCHCl₂	1,1,2-trichloroethane	¹A	C₁
1734	CH₃CCl₃	Ethane, 1,1,1-trichloro-	¹A₁	C_3v
1735	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1736	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1737	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1738	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1739	C₃H₅ClO	Oxirane, (chloromethyl)-	¹A	C₁
1740	CH₂FCH₂CH₂F	1,3-difluoropropane
1741	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	¹A	C₁
1742	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1743	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	¹A^'	C_s
1744	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	¹A	C₁
1745	CH₂CHCHClCH₃	1-Butene, 3-chloro-	¹A	C₁
1746	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1747	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1748	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	¹A^'	C_s
1749	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	¹A^'	C_s
1750	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	¹A	C₁
1751	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	¹A^'	C_s
1752	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	¹A^'	C_s
1753	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	¹A₁	C_3v
1754	CH₃CHClCH₂CH₃	Butane, 2-chloro-	¹A	C₁
1755	C₂H₂N₂O	Furazan
1756	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1757	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1758	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1759	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	¹A_g	C_s
1760	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	¹A₁	C_2v
1761	C₆H₄	Benzyne	¹A₁	C_2v
1762	C₆H₅	phenyl	²A₁	C_2v
1763	C₆H₅^-	phenyl anion	¹A₁	C_2v
1764	C₆H₆	Prismane
1765	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1766	C₆H₆	2,4-Hexadiyne	¹A₁^'	D_3h
1767	C₆H₆	Benzene	¹A_1g	D_6h
1768	C₆H₆	Benzvalene	¹A₁	C_2v
1769	C₆H₆	Dewar Benzene
1770	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1771	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1772	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1773	C₆H₈	(E)-hexa-1,3,5-triene	¹A_g	C_s
1774	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1775	C₆H₈	(Z)-hexa-1,3,5-triene	¹A₁	C_2v
1776	C₆H₈	(Z)-hexa-2,3,4-triene	¹A₁	C_2v
1777	C₆H₈	1,4-Cyclohexadiene	¹A_g	C_2v
1778	C₆H₈	3-Methylenecyclopentene	¹A	C₁
1779	C₆H₈	Bicyclo[2.1.1]hex-2-ene	¹A₁	C_2v
1780	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	¹A_g	D_2h
1781	C₆H₈	Bicyclo[3.1.0]hex-2-ene	¹A	C₁
1782	C₆H₁₀	1,3-Hexadiene, (E)-	¹A^'	C_s
1783	C₆H₁₀	1,3-Hexadiene, (Z)-	¹A^'	C_s
1784	C₆H₁₀	1,4-Hexadiene, (E)-	¹A	C₁
1785	C₆H₁₀	1,4-Hexadiene, (Z)-	¹A	C₁
1786	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1787	C₆H₁₀	1-Butyne, 3,3-dimethyl-	¹A₁	C_3v
1788	C₆H₁₀	1-Hexyne	¹A^'	C_s
1789	C₆H₁₀	2,4-Hexadiene, (E,E)-	¹A_g	C_2h
1790	C₆H₁₀	2,4-Hexadiene, (E,Z)-	¹A^'	C_s
1791	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	¹A^'	C_s
1792	C₆H₁₀	2-Hexyne	¹A^'	C₁
1793	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1794	C₆H₁₀	cyclohexene	¹A	C₂
1795	C₆H₁₀	Cyclopentene, 1-methyl-	¹A	C₁
1796	C₆H₁₀	Cyclopentene, 3-methyl-	¹A	C₁
1797	C₆H₁₀	Cyclopentene, 4-methyl-	¹A	C₁
1798	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	¹A	C_s
1799	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A_g	C_2h
1800	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1801	C₆H₁₂	(E)-2-Hexene	¹A	C₁
1802	C₆H₁₂	(E)-3-methylpent-2-ene	¹A	C₁
1803	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1804	C₆H₁₂	(Z)-3-methylpent-2-ene	¹A	C₁
1805	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1806	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1807	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1808	C₆H₁₂	3-methylenepentane	¹A	C₁
1809	C₆H₁₂	cis-1,2-dimethylcyclobutane	¹A^'	C_s
1810	C₆H₁₂	cis-1,3-dimethylcyclobutane	¹A₁	C_2v
1811	C₆H₁₂	Cyclohexane	¹A_1g	Chair
1812	C₆H₁₂	Cyclohexane	¹A	twist boat
1813	C₆H₁₂	Cyclopentane, methyl-	¹A	C₁
1814	C₆H₁₂	Ethylcyclobutane	¹A	C₁
1815	C₆H₁₂	hex-1-ene	¹A^'	C_s
1816	C₆H₁₄	Butane, 2,2-dimethyl-	¹A^'	C₁
1817	C₆H₁₄	Butane, 2,3-dimethyl-	¹A_g	C_2h
1818	C₆H₁₄	Hexane	¹A_g	C_2h
1819	C₆H₁₄	Pentane, 2-methyl-	¹A	C₁
1820	C₆H₁₄	Pentane, 3-methyl-	¹A^'	C_s
1821	C₄N₂	2-Butynedinitrile	¹Σ_g	D_∞h
1822	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1823	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1824	C₂H₂N₄	sym-tetrazine	¹A_g	D_2h
1825	C₃H₃N₃	1,3,5-Triazine	¹A₁^'	D_3h
1826	CH₃N₅	5-Aminotetrazole	¹A	C₁
1827	C₄H₄N₂	1,3-Diazine	¹A₁	C_2v
1828	C₄H₄N₂	Pyrazine	¹A_g	D_2h
1829	C₄H₄N₂	Pyridazine	¹A₁	C_2v
1830	C₄H₄N₂	Succinonitrile	¹A_g	C_2h
1831	C₂H₄N₄	1H-Tetrazole, 1-methyl-	¹A^'	C_s
1832	C₂H₄N₄	1H-Tetrazole, 5-methyl-	¹A^'	C₁
1833	C₂H₄N₄	2H-Tetrazole, 2-methyl-	¹A	C₁
1834	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	¹A^'	C_s
1835	C₅H₅N	Pyridine	¹A₁	C_2v
1836	B₃N₃H₆	borazine	¹A₁^'	D_3h
1837	C₆H₆	Fulvene	¹A₁	C_2v
1838	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1839	C₄H₆N₂	1H-Imidazole, 2-methyl-	¹A^'	C_s
1840	C₅H₇N	(E)-2-Pentenenitrile	¹A^'	C_s
1841	C₅H₇N	(E)-3-Pentenenitrile	¹A	C₁
1842	C₅H₇N	(Z)-2-Pentenenitrile	¹A	C₁
1843	C₅H₇N	1H-Pyrrole, 1-methyl-	¹A	C₁
1844	C₅H₇N	Cyclobutanecarbonitrile	¹A^'	C_s
1845	C₅H₉N	1,2,3,6-Tetrahydropyridine	¹A	C₁
1846	C₅H₉N	Butanenitrile, 2-methyl-	¹A	C₁
1847	C₅H₉N	Pentanenitrile	¹A^'	C_s
1848	C₅H₉N	Propanenitrile, 2,2-dimethyl-	¹A₁	C₁
1849	C₆H₁₀	Bicyclo[3.1.0]hexane	¹A^'	C_s
1850	C₅H₁₁N	Cyclopentanamine	¹A^'	C_s
1851	C₅H₁₁N	Piperidine	¹A^'	NH equatorial
1852	C₅H₁₁N	Piperidine	¹A^'	NH axial
1853	C₄H₁₂N₂	1,2-Butanediamine	¹A	C₁
1854	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	¹A^'	C₁
1855	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1856	C₂O₄^--	oxalate anion	¹A_g	D_2h
1857	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1858	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1859	C₃H₂O₃	vinylene carbonate
1860	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1861	C₂H₃NO₃	Oxamic acid	¹A^'	H out
1862	C₄H₄O₂	2-Oxetanone, 4-methylene-	¹A	C₁
1863	C₂H₄N₂O₂	Oxalamide	¹A_g	C_2h
1864	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1865	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1866	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1867	C₃H₄O₂S	2H-Thiete-1,1-dioxide	¹A^'	C₁
1868	C₃H₄S₃	1,3-Dithiolane-2-thione	¹A	C₁
1869	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1870	C₄H₅NO	3-Methylisoxazole	¹A	C₁
1871	C₄H₅NO	Isoxazole, 5-methyl-	¹A	C₁
1872	C₄H₅NS	4-Methylthiazole	¹A	C₁
1873	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1874	C₅H₆O	2H-Pyran
1875	C₅H₆O	2-methylfuran	¹A^'	C_s
1876	C₅H₆O	3-Methylfuran	¹A^'	C_s
1877	C₅H₆O	Pentadienal
1878	C₅H₆S	Thiophene, 2-methyl-	¹A^'	C_s
1879	C₅H₆S	Thiophene, 3-methyl-	¹A^'	C_s
1880	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1881	C₄H₆O₂	2,3-Butanedione	¹A_g	C_2h
1882	C₄H₆O₂	2-Propenoic acid, methyl ester	¹A	C₁
1883	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1884	C₄H₆OS	Dihydro-2-(3H)-thiophenone	¹A	C₁
1885	C₄H₆OS	Dihydro-3-(2H)-thiophenone	¹A	C₁
1886	C₄H₆OS	Vinyl sulfoxide	¹A^'	C_s
1887	CH₆N₄S	Carbonothioic dihydrazide	¹A	C₂
1888	C₂H₆N₂O₂	(E)-Azodioxymethane	¹A_g	C_2h
1889	C₂H₆N₂O₂	Dimethylnitroamine	¹A	C₁
1890	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1891	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1892	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	¹A₁	C₁
1893	C₂H₆O₃S	Sulfurous acid, dimethyl ester	¹A^'	C₁
1894	C₄H₇NO	2-Pyrrolidinone	¹A	C₁
1895	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1896	C₄H₇NO	Methacrylamide	¹A	C₁
1897	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	¹A^'	C₁
1898	HCONH₂CN₂H₄	formamide aminomethanimine dimer	¹A	C₁
1899	C₃H₇ONO	Propyl nitrite	¹A	C₁
1900	CH₃CH(CH₃)ONO	Isopropyl nitrite	¹A	C₁
1901	CH₃CH(NH₂)COOH	Alanine	¹A	C₁
1902	CH₃NHCH₂COOH	Sarcosine	¹A	C₁
1903	NH₂CH₂CH₂COOH	β–alanine	¹A	C₁
1904	NH₂COOC₂H₅	Urethane	¹A	C₁
1905	C₅H₈O	2H-Pyran, 3,4-dihydro-	¹A	C₁
1906	C₅H₈O	Cyclopentanone	¹A	C₂
1907	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	¹A	C₁
1908	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1909	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	¹A	C₁
1910	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1911	NH₂CONHC₂H₅	Urea, ethyl-	¹A	C₁
1912	C₄H₈O₂	1,3-Dioxane	¹A^'	C_s
1913	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	¹A	C₁
1914	C₄H₈O₂	1,4-Dioxane	¹A_g	C_2h
1915	C₄H₈O₂	Ethene, 1,1-dimethoxy-	¹A₁	C_2v
1916	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1917	C₄H₈OS	s-Ethyl thioacetate	¹A	C₁
1918	C₃H₈O₃	1,2,3-Propanetriol	¹A	C₁
1919	C₃H₈O₂S	(Methylsulfonyl)ethane	¹A	C₁
1920	C₄H₉NO	Butanamide	¹A	C₁
1921	C₄H₉NO	Propanamide, 2-methyl-	¹A	C₁
1922	C₅H₁₀O	2-Butanone, 3-methyl-	¹A	C₁
1923	C₅H₁₀O	2H-Pyran, tetrahydro-	¹A^'	C₁
1924	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1925	C₅H₁₀O	2-Pentanone	¹A^'	C_s
1926	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1927	C₅H₁₀O	Cyclopentanol	¹A	C₁
1928	C₅H₁₀O	Oxetane, 3,3-dimethyl-	¹A^'	C_s
1929	C₅H₁₀O	Pentanal	¹A^'	C₁
1930	C₅H₁₀S	2H-Thiopyran, tetrahydro-	¹A^'	C_s
1931	C₅H₁₀S	3-Ethylthio-1-propene	¹A^'	C₁
1932	C₅H₁₀S	Cyclopentanethiol	¹A	C₁
1933	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	¹A	C₁
1934	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	¹A	C₁
1935	C₄H₁₀O₂	1,1-Dimethoxyethane	¹A^'	C_s
1936	C₄H₁₀O₂	1,3-Butanediol	¹A	C₁
1937	C₄H₁₀O₂	1,4-Butanediol	¹A_g	C_2h
1938	C₄H₁₀O₂	1,4-Butanediol
1939	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	¹A_g	C_2h
1940	C₄H₁₀OS	Diethyl sulfoxide	¹A	C₁
1941	C₄H₁₀S₂	1,4-Butanedithiol	¹A_g	C_2h
1942	C₄H₁₁NO	Diethylhydroxylamine	¹A^'	C_s
1943	C₅H₁₂O	1-Butanol, 2-methyl-	¹A	C₁
1944	C₅H₁₂O	1-Butanol, 3-methyl-	¹A^'	C_s
1945	C₅H₁₂O	1-Pentanol	¹A^'	C_s
1946	C₅H₁₂O	2-Butanol, 3-methyl-	¹A	C₁
1947	C₅H₁₂O	2-Pentanol	¹A	C₁
1948	C₅H₁₂O	3-Pentanol	¹A	C₁
1949	C₅H₁₂O	Butane, 1-methoxy-	¹A^'	C_s
1950	C₅H₁₂O	Propane, 1-ethoxy-	¹A^'	C_s
1951	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	¹A^'	C₁
1952	C₅H₁₂S	1-Butanethiol, 2-methyl-	¹A	C₁
1953	C₅H₁₂S	1-Butanethiol, 3-methyl-	¹A^'	C₁
1954	C₅H₁₂S	1-Pentanethiol	¹A^'	C₁
1955	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	¹A^'	C₁
1956	C₅H₁₂S	2-Butanethiol, 3-methyl-	¹A	C₁
1957	C₅H₁₂S	Butane, 1-(methylthio)-	¹A^'	C_s
1958	C₅H₁₂S	Ethyl propyl sulfide	¹A^'	C_s
1959	C₅H₁₂S	Propane, 2-(ethylthio)-	¹A^'	C₁
1960	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	¹A^'	C₁
1961	C₄F₂	difluorobutadiyne
1962	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1963	CF₃CN	Acetonitrile, trifluoro-	¹A₁	C_3v
1964	B₂F₄	Diboron tetrafluoride	¹A₁	D_2d
1965	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1966	C₂F₄	Tetrafluoroethylene	¹A_g	D_2h
1967	C₂ClF₃	Ethene, chlorotrifluoro-
1968	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1969	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1970	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1971	C₂Cl₄	Tetrachloroethylene	¹A_g	D_2h
1972	C₂Br₄	tetrabromoethene
1973	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1974	SiF₅^-	silicon pentafluoride anion
1975	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1976	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1977	AsF₅	Arsenic pentafluoride	¹A₁^'	D_3h
1978	PCl₅	Phosphorus pentachloride	¹A₁^'	C_4v
1979	SF₅	Sulfur pentafluoride	²A₁	C_4v
1980	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1981	BrF₅	bromine pentafluoride	¹A₁	C_4v
1982	ClF₅	chlorinepentafluoride	¹A₁	C_4v
1983	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
1984	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
1985	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1986	CF₃CH₂F	1,1,1,2-tetrafluoroethane	¹A^'	C_s
1987	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1988	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
1989	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1990	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1991	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1992	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1993	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1994	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1995	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1996	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1997	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	¹A	C₁
1998	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	¹A^'	C_s
1999	C₄H₈Cl₂	1,4-Dichlorobutane	¹A_g	C_2h
2000	C₄H₈Cl₂	Butane, 1,2-dichloro-	¹A	C₁
2001	C₄H₈Cl₂	Butane, 1,3-dichloro-	¹A	C₁
2002	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	¹A_g	C_i
2003	C₄H₉ClO	1-Chloro-2-ethoxyethane	¹A^'	C_s
2004	C₅H₁₁Cl	Pentane, 1-chloro-	¹A^'	C_s
2005	C₄H₈O₂	Butanoic acid	¹A	C₁
2006	C₆H₅CH₂	benzyl radical	²B₁	C_s
2007	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
2008	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
2009	C₆H₅CH₃	toluene	¹A^'	C_s
2010	C₇H₈	Norbornadiene	¹A₁	C_2v
2011	C₇H₁₂	Norbornane	¹A₁	C_2v
2012	C₇H₁₄	cycloheptane	¹A	C₂
2013	C₇H₁₆	2-methylhexane	¹A	C₁
2014	C₇H₁₆	3-methylhexane	¹A	C₁
2015	C₇H₁₆	heptane	¹A₁	C_2v
2016	CH(CN)₃	tricyanomethane
2017	HN=C=C(CN)₂	Dicyanoketenimine
2018	C₆H₇N	2-Methylpyridine	¹A^'	C_s
2019	C₆H₅NH₂	aniline	¹A^'	C_s
2020	C₆H₁₅N	triethylamine	¹A	C₃
2021	N₂O₅	Dinitrogen pentoxide	¹A^'	C_s
2022	C₅H₄O₂	4-Cyclopentene-1,3-dione	¹A₁	C_2v
2023	C₅H₄O₂	furfural	¹A^'	OCCO cis
2024	C₅H₄O₂	furfural	¹A^'	OCCO trans
2025	C₆H₅O	phenoxy radical	²B₁	C_2v
2026	C₅H₅NO	2(1H)-Pyridinone	¹A^'	C_s
2027	C₅H₅NO	2(3H)-Pyridinone	¹A	C_s
2028	C₅H₅NO	2(5H)-Pyridinone	¹A^'	C_s
2029	C₅H₅NO	2-Pyridinol	¹A^'	C_s
2030	C₅H₅NO	3(2H)-Pyridinone	¹A^'	C_s
2031	C₅H₅NO	3(4H)-Pyridinone	¹A^'	C₁
2032	C₅H₅NO	3(6H)-Pyridinone	¹A^'	C_s
2033	C₅H₅NO	3-Pyridinol	¹A^'	C_s
2034	C₅H₅NO	4(1H)-Pryidinone	¹A^'	C_s
2035	C₅H₅NO	4(3H)-Pryidinone	¹A^'	C_s
2036	C₅H₅NO	4-Pyridinol	¹A^'	C_s
2037	C₆H₅OH	phenol	¹A^'	C_s
2038	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
2039	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
2040	C₅H₈O₂	Acetylacetone
2041	C₇H₁₀	Norbornene
2042	C₆H₁₀O	cyclohexanone	¹A^'	C_s
2043	C₆H₁₂O	Oxepane
2044	C₃H₇OC₃H₇	di-n-propyl ether	¹A₁	C_2v
2045	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
2046	F₂CCCF₂	tetrafluoroallene
2047	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
2048	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
2049	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
2050	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
2051	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
2052	SeF₆	Selenium hexafluoride	¹A_1G	O_h
2053	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
2054	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
2055	C₆H₅F	Fluorobenzene	¹A₁	C_2v
2056	C₆H₅Cl	chlorobenzene	¹A₁	C_2v
2057	C₆H₅Br	bromobenzene	¹A₁	C_2v
2058	C₈H₆	Calicene	¹A₁	C_2v
2059	C₆H₅CCH	phenylacetylene	¹A₁	C_2v
2060	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
2061	C₈H₆	Pentalene	¹A_g	C_2h
2062	C₆H₅CHCH₂	Styrene	¹A^'	C_s
2063	C₈H₈	cubane	¹A_1G	O_h
2064	C₈H₈	cyclooctatetraene	¹A₁	D_2d
2065	CH₃C₆H₄CH₃	meta-xylene	¹A^'	C_s
2066	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
2067	C₈H₁₆	cyclooctane	¹A₁	D_4d
2068	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
2069	C₈H₁₈	Octane	¹A_G	C_2h
2070	C₆H₁₂N₂	Triethylenediamine	¹A₁^'	D_3h
2071	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
2072	S₄N₄	Tetrasulfur tetranitride
2073	S₈	Octasulfur	¹A₁	D_4d
2074	C₆H₄O₂	parabenzoquinone	¹A_g	D_2h
2075	C₆H₅CHO	benzaldehyde	¹A^'	C_s
2076	C₆H₅OCH₃	Anisole	¹A^'	C_s
2077	C₅H₉NO₂	Proline	¹A	C₁
2078	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
2079	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
2080	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
2081	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
2082	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h
2083	C₂F₆	hexafluoroethane	¹A_1g	D_3d
2084	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
2085	C₆H₄F₂	orthodifluorobenzene	¹A₁	C_2v
2086	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
2087	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
2088	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
2089	C₆H₄Cl₂	1,4-dichlorobenzene
2090	C₆H₅NO	nitrosobenzene	¹A^'	C_s
2091	C₉H₈	Indene	¹A^'	C_s
2092	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
2093	C₉H₁₂	n-propyl benzene	¹A^'	C_s
2094	C₉H₂₀	Nonane	¹A₁	C_2v
2095	C(CN)₄	tetracyanomethane	¹A₁	T_d
2096	C₅H₄N₄	purine	¹A	C_s
2097	C₈H₇N	Indole	¹A^'	C_s
2098	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
2099	C₆H₅NO₂	Nitrobenzene	¹A₁	C_2v
2100	C₆H₅COOH	benzoic acid	¹A^'	C_s
2101	CH₃COC₆H₅	acetophenone	¹A	C₁
2102	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	¹A₁^'	D_3h
2103	C₃F₆	hexafluoropropene
2104	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
2105	C₈H₁₈O	1-Octanol
2106	C₁₀H₈	Azulene	¹A₁	C_2v
2107	C₁₀H₈	naphthalene	¹A_g	D_2h
2108	C₁₀H₁₀	bullvalene
2109	C₁₀H₁₆	adamantane	¹A₁	T_d
2110	C₆N₄	Tetracyanoethylene	¹A_G	D_2h
2111	C₁₀H₂₂	Decane	¹A_G	C_2h
2112	C₄F₆	perfluorobutadiene	¹A_g	C_2h
2113	C₄F₆	perfluorobutadiene	¹A	C₂
2114	C₃F₈	perfluoropropane	¹A₁	C_2v
2115	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
2116	C₁₂H₈	biphenylene	¹A_g	D_2h
2117	C₁₂H₁₀	biphenyl	¹A	D₂
2118	C₁₂H₁₀	Heptalene	¹A	C₂
2119	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
2120	C₆F₆	hexafluorobenzene	¹A_1G	D_6h
2121	S₂F₁₀	disulphur decafluoride
2122	C₁₃H₁₀	Fluorene
2123	C₁₄H₁₀	Anthracene	¹A_g	D_2h
2124	C₁₄H₁₄	Bibenzyl	¹A	C₂
2125	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
2126	C₆H₅COC₆H₅	benzophenone	¹A	C₂
2127	C₁₆H₁₀	Pyrene	¹A_g	D_2h
2128	C₁₉H₁₆	Triphenylmethane	¹A	C₃
2129	C₂₄H₁₂	Coronene	¹A_1G	D_6h
2130	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	He^-	Helium atom anion	he-
6	HeH⁺	Helium hydride cation	heh+
7	Na^-	Sodium atom anion	na-
8	K^-	Potassium atom anion	k-
9	K⁺	Potassium atom cation	k+
10	Cu^-	Copper atom anion	cu-
11	Cu⁺	Copper atom cation	cu+
12	Be^-	Beryllium atom anion	be-
13	Mg^-	Magnesium atom anion	mg-
14	Ca^-	Calcium atom anion	ca-
15	Ca⁺	Calcium atom cation	ca+
16	Zn^-	Zinc atom anion	zn-
17	Zn⁺	Zinc atom cation	zn+
18	CaH₂	Calcium Hydride	cah2
19	B^-	Boron atom anion	b-
20	BH₃^-	boron trihydride anion	bh3-
21	C^-	Carbon atom anion	c-
22	Ti^-	Titanium atom anion	ti-
23	Ti⁺	Titanium atom cation	ti+
24	Sn	Tin atom	sn
25	Sn⁺	Tin cation	sn+
26	SnH₄	Stannane	snh4
27	N^-	Nitrogen atom anion	n-
28	P^-	Phosphorus atom anion	p-
29	P⁺	Phosphorus atom cation	p+
30	Sb	Antimony atom	sb
31	SbH	Antimony monohydride	sbh
32	SbH₃	Stibine	sbh3
33	O^-	Oxygen atom anion	o-
34	Cr	Chromium atom	cr
35	Te	Tellurium atom	te
36	Te⁺	Tellurium atom cation	te+
37	TeH	Telluryl radical	teh
38	H₂Te	Hydrogen Telluride	h2te
39	Mn	Manganese atom	mn
40	I	Iodine atom	iodine
41	I^-	Iodine atom anion	iodine-
42	I⁺	Iodine atom cation	iodine+
43	HI	Hydrogen iodide	hi
44	HI⁺	Hydrogen iodide cation	hi+
45	H₂I⁺	Iodonium	h2i+
46	Ne^-	Neon atom anion	ne-
47	Ar^-	Argon atom anion	ar-
48	Ar⁺	Argon atom cation	ar+
49	Fe	Iron atom	fe
50	Xe	Xenon atom	xe
51	NeH⁺	neon hydrogen cation	neh+
52	XeH⁺	Xenon, protonated	xeh+
53	Co	Cobalt atom	cobalt
54	Ni	Nickel atom	ni
55	CCH₂	vinylidene	vinylidene
56	CuCH₃	monomethyl copper	cuch3
57	LiN⁺	Lithium Nitride cation	lin+
58	BeN⁺	Beryllium mononitride cation	ben+
59	TiN	Titanium mononitride	tin
60	SbN	Antimony nitride	sbn
61	As₂	Arsenic diatomic	as2
62	HCN^-	Hydrogen cyanide anion	hcn-
63	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
64	H₂CN⁺	hydrocyanonium cation	h2cn+
65	HCNH⁺	N-protonated HCN	hcnh+
66	CH₃NH₃⁺	protonated methylamine	ch3nh3+
67	ZnS	Zinc sulfide	zns
68	AsO	Arsenic monoxide	aso
69	TeO	Tellurium monoxide	teo
70	Te₂	Tellurium diatomic	te2
71	HCS^-	Thioformyl anion	hcs-
72	HCS⁺	Thioformyl cation	hcs+
73	HNS	Sulfur imide	hns
74	LiI	Lithium Iodide	lii
75	NaI	Sodium Iodide	nai
76	KI	Potassium Iodide	ki
77	ZnF^-	Zinc monofluoride anion	znf-
78	ZnF⁺	Zinc monofluoride cation	znf+
79	AlI	Aluminum monoiodide	ali
80	SbF	Antimony monofluoride	sbf
81	SbCl	Antimony monochloride	sbcl
82	IO	Iodine monoxide	io
83	IF	Iodine monofluoride	if
84	ICl	Iodine monochloride	icl
85	IBr	Iodine monobromide	ibr
86	I₂	Iodine diatomic	i2
87	I₂⁺	Iodine diatomic cation	i2+
88	HOI	Hypoiodous acid	hoi
89	FHF	Hydrogen difluoride	fhf
90	H₂F₂	Hydrogen fluoride dimer	h2f2
91	CH₃I	methyl iodide	ch3i
92	SiH₃I	Silyl Iodide	sih3i
93	C₃H₃^-	Propargyl anion	c3h3-
94	C₃H₃⁺	cyclopropenyl cation	cpr+
95	CuCN	Copper cyanide	cucn
96	HCNN	diazomethyl radical	hcnn
97	CH₂NCH₃	N-methylmethanimine	nmm
98	NH₂BHNH₂	diaminoborane	nh2bhnh2
99	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
100	CNO^-	fulminate	cno-
101	NCO^-	cyanate	nco-
102	SCN^-	thiocyanide anion	scn-
103	BO₂^-	Boron dioxide anion	bo2-
104	BO₂⁺	Boron dioxide cation	bo2+
105	CO₂^-	Carbon dioxide anion	co2-
106	SCTe	Carbon sulfide Telluride	scte
107	PO₂^-	Phosphorus dioxide anion	po2-
108	TeO₂	Tellurium Dioxide	teo2
109	CS₂H⁺	Carbon disulfide, protonated	cs2h+
110	HNNO	nitrosoazane	hnno
111	CH₂CHO	Vinyloxy radical	ch2cho
112	CH₂OOH	CH2OOH radical	ch2ooh
113	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
114	ICN	Cyanogen iodide	icn
115	ZnCl₂	Zinc dichloride	zncl2
116	BrNO	Nitrosyl bromide	brno
117	INO	Nitrosyl iodide	ino
118	CCl₂^-	dichloromethylene anion	ccl2-
119	BrOCl	Bromine hypochlorite	brocl
120	BrOBr	Bromine oxide	brobr
121	I₃^-	triiodide	i3-
122	HCCF⁺	fluoroacetylene cation	hccf+
123	COHCl	Formyl chloride	cohcl
124	COHBr	Formyl bromide	cohbr
125	HOClO	Chlorous acid	hoclo
126	CH₂FI	fluoroiodomethane	ch2fi
127	CH₂ClI	chloroiodomethane	ch2cli
128	CH₂BrI	bromoiodomethane	ch2bri
129	CH₂I₂	Diiodomethane	ch2i2
130	C₂H₃I	Vinyl iodide	c2h3i
131	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
132	C₂H₅I	Ethyl iodide	c2h5i
133	XeF₂	Xenon difluoride	xef2
134	B(CH₃)₃	trimethylborane	bme3
135	C₃H₇N	Azetidine	azet
136	As(CH₃)₃	trimethyl arsine	tmas
137	Li₂O₂	dilithium dioxide	li2o2
138	Na₂O₂	disodium dioxide	na2o2
139	CO₃	Carbon trioxide	co3
140	TeO₃	Tellurium trioxide	teo3
141	C₂H₂CO	cyclopropenone	c2h2co
142	HCCCHO	2-propynal	hcccho
143	H₂CS₃	thiocarbonic acid	h2cs3
144	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
145	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
146	Na₂F₂	Sodium Fluoride Dimer	na2f2
147	BrONO	Bromine nitrite	brono
148	COFCl	Carbonic chloride fluoride	cofcl
149	COBr₂	Carbonic dibromide	cobr2
150	AlBr₃	Aluminum Bromide	albr3
151	ClO₃	Chlorine trioxide	clo3
152	BrO₃^-	Bromate anion	bro3-
153	AsF₃	Arsenic trifluoride	asf3
154	SbF₃	Antimony Trifluoride	sbf3
155	SbCl₃	Antimony Trichloride	sbcl3
156	AsBr₃	Arsenic tribromide	asbr3
157	NI₃	Nitrogen triiodide	ni3
158	PI₃	Phosphorus triiodide	pi3
159	IF₃	iodone trifluoride	if3
160	CHF₂I	difluoroiodomethane	chf2i
161	CHFClI	fluorochloroiodomethane	chfcli
162	CHCl₂I	dichloroiodomethane	chcl2i
163	CHClBr₂	Methane, dibromochloro-	chclbr2
164	CHI₃	Iodoform	chi3
165	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
166	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
167	CH₂CFCH₃	2-fluoropropene	2fpro
168	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
169	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
170	C₂H₃N₃	1H-1,2,4-Triazole	c288880
171	C₄H₅N	2H-pyrrole	pyrrole2
172	C₄H₅N	3H-pyrrole	pyrrole3
173	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
174	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
175	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
176	C₄H₄O⁺	Furan cation	furan+
177	C₄H₈O	Furan, tetrahydro-	thf
178	C₄H₁₀O⁺	1-Butanol cation	butanol1+
179	CCl₄⁺	Carbon tetrachloride cation	ccl4+
180	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
181	CF₃I	trifluoroiodomethane	cf3i
182	CCl₃I	trichloroiodomethane	ccl3i
183	CFClBrI	fluorochlorobromoiodomethane	cfclbri
184	CF₂I₂	difluorodiiodomethane	cf2i2
185	CCl₂I₂	dichlorodiiodomethane	ccl2i2
186	CBr₃I	tribromoiododmethane	cbr3i
187	CI₄	tetraiodomethane	ci4
188	SiI₄	silicon tetraiodide	sii4
189	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
190	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
191	CHClCCHCl	1,3-dichloroallene	chclcchcl
192	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
193	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
194	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
195	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
196	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
197	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
198	C₄H₉F	1-fluorobutane	butaf1
199	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
200	XeF₄	Xenon tetrafluoride	xef4
201	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
202	C₆H₆⁺	Benzene cation	c6h6+
203	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
204	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
205	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
206	C₅H₅N	E-2,4-pentadienenitrile	bdcn
207	Li₂CO₃	Lithium Carbonate	li2co3
208	C₄H₄O₂	2(5H)-Furanone	furanone
209	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
210	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
211	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
212	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
213	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
214	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
215	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
216	C₂FCl₃	fluorotrichloroethene	c2fcl3
217	SbCl₅	Antimony pentachloride	sbcl5
218	IF₅	pentafluoroiodine	if5
219	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
220	C₇H₈	cycloheptatriene	cht
221	C₇H₈	Quadricyclane	qucy
222	C₆H₁₃N	2-Methylpiperidine	pip2m
223	C₆H₁₃N	cyclohexanamine	cham
224	C₄H₂O₃	Maleic Anhydride	malan
225	C₆H₆O	2,4-Cyclohexadienone	c24599573
226	C₆H₅SH	Benzenethiol	phsh
227	C₄H₈O₂S	Sulfolane	sulfolane
228	CH(C₂H₃)₃	trivinyl methane	tvm
229	C₆H₁₂O	hexanal	c6h12o
230	CF₃COCl	trifluoroacetyl chloride	cf3cocl
231	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
232	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
233	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
234	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
235	C₆H₅CH₂CH₃	Ethylbenzene	etbz
236	CH₃C₆H₄CH₃	paraxylene	pxylene
237	C₆H₅CN	phenyl cyanide	phcn
238	C₄O₄^--	squarate dianion	c4o4--
239	C₄H₄N₂O₂	Uracil	uracil
240	C₆H₁₂O₂	Methyl pivalate	c598981
241	C₆H₁₂O₂	Hexanoic acid	hexa
242	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
243	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
244	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
245	IF₇	Iodine heptafluoride	if7
246	C₆H₄F₂	metadifluorobenzene	mdfb
247	C₆N₄^-	tetracyanoethylene anion	tcne-
248	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
249	Fe(CO)₅	Iron pentacarbonyl	ipc
250	Fe(C₅H₅)₂	ferrocene	fecp2
251	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
252	C₁₂H₈	Acenaphthylene	acenaph
253	C₁₄H₁₀	Phenanthrene	phenanthrene
254	C₁₈H₁₂	Tetracene	tetracene

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

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