CCCBDB List of Species with completed calculations

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List of which calculations are completed at G3MP2

Jump to calculations not yet done

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 anion	²S	K_h
11	He⁺	Helium atom cation	²S	K_h
12	HeH⁺	Helium hydride cation	¹Σ	C_∞v
13	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
14	Li	Lithium atom	²S	K_h
15	Li^-	Lithium atom anion	¹S	K_h
16	Li⁺	Lithium atom cation	¹S	K_h
17	Na	Sodium atom	²S	K_h
18	Na^-	Sodium atom anion	¹S	K_h
19	Na⁺	Sodium atom cation	¹S	K_h
20	K	Potassium atom	²S	K_h
21	K^-	Potassium atom anion	¹S	K_h
22	K⁺	Potassium atom cation	¹S	K_h
23	LiH	Lithium Hydride	¹Σ	C_∞v
24	LiH^-	lithium hydride anion	²Σ	C_∞v
25	LiH⁺	lithium hydride cation	²Σ	C_∞v
26	NaH	sodium hydride	¹Σ	C_∞v
27	NaH^-	sodium hydride anion	²Σ	C_∞v
28	NaH⁺	sodium hydride cation	²Σ	C_∞v
29	KH	Potassium hydride	¹Σ	C_∞v
30	Be	Beryllium atom	¹S	K_h
31	Be^-	Beryllium atom anion	²P	K_h
32	Be⁺	Beryllium atom cation	²S	K_h
33	Mg	Magnesium atom	¹S	K_h
34	Mg^-	Magnesium atom anion	²P	K_h
35	Mg⁺	Magnesium atom cation	²S	K_h
36	Ca	Calcium atom	¹S	K_h
37	Ca⁺	Calcium atom cation	²S	K_h
38	BeH	beryllium monohydride	²Σ	C_∞v
39	BeH^-	berylium monohydride anion	¹Σ	C_∞v
40	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
41	MgH	magnesium monohydride	²Σ	C_∞v
42	MgH^-	magnesium monohydride anion	¹Σ	C_∞v
43	MgH⁺	magnesium monohydride cation	¹Σ	C_∞v
44	CaH	Calcium monohydride	²Σ	C_∞v
45	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
46	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
47	B	Boron atom	²P	K_h
48	B^-	Boron atom anion	³P	K_h
49	B⁺	Boron atom cation	¹S	K_h
50	Al	Aluminum atom	²P	K_h
51	Al^-	Aluminum atom anion	³P	K_h
52	Al⁺	Aluminum atom cation	¹S	K_h
53	BH	Boron monohydride	¹Σ	C_∞v
54	BH^-	boron monohydride anion	²Π	C_∞v
55	BH⁺	boron monohydride cation	²Σ	C_∞v
56	AlH	aluminum monohydride	¹Σ	C_∞v
57	AlH^-	aluminum monohydride anion	²Π	C_∞v
58	AlH⁺	aluminum monohydride cation	²Σ	C_∞v
59	BH₂	boron dihydride	²A₁	C_2v
60	AlH₂	aluminum dihydride	²A₁	C_2v
61	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
62	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
63	BH₃	boron trihydride	¹A₁^'	D_3h
64	BH₃^-	boron trihydride anion	²A₁	C_3v
65	BH₃⁺	boron trihydride cation	²E^'	D_3h
66	AlH₃	aluminum trihydride	¹A₁^'	D_3h
67	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
68	AlH₃⁺	aluminum trihydride cation	²E	D_3h
69	BH₄^-	borohydride anion	¹A₁	T_d
70	AlH₄^-	Aluminum tetrahydride anion	¹A₁	T_d
71	C	Carbon atom	³P₀	K_h
72	C^-	Carbon atom anion	²D	K_h
73	C⁺	Carbon atom cation	²P	K_h
74	Si	Silicon atom	³P	K_h
75	Si^-	Silicon atom anion	⁴S	K_h
76	Si⁺	Silicon atom cation	²P	K_h
77	CH	Methylidyne	²Π_1/2	C_∞v
78	CH^-	methylidyne anion	³Σ	C_∞v
79	CH⁺	Methylidyne cation	¹Σ	C_∞v
80	SiH	Silylidyne	²Π	C_∞v
81	SiH^-	silicon monohydride anion	³Σ	C_∞v
82	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
83	CH₂	Methylene	³B₁	C_2v
84	CH₂^-	methylene anion	²B₁	C_2v
85	CH₂⁺	methylene cation	²A₁	C_2v
86	SiH₂	silicon dihydride	¹A₁	C_2v
87	SiH₂^-	silicon dihydride anion	²B₁	C_2v
88	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
89	CH₃	Methyl radical	²A₁	D_3h
90	CH₃^-	methyl anion	¹A₁	C_3v
91	CH₃⁺	methyl cation	¹A₁^'	D_3h
92	SiH₃	Silyl radical	²A₁	C_3v
93	SiH₃^-	Silyl anion	¹A₁	C_3v
94	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
95	CH₄	Methane	¹A₁	T_d
96	CH₄⁺	Methane cation	²T₂	T_d
97	SiH₄	Silane	¹A₁	T_d
98	N	Nitrogen atom	⁴S	K_h
99	N^-	Nitrogen atom anion	³S	K_h
100	N⁺	Nitrogen atom cation	³P	K_h
101	P	Phosphorus atom	⁴S	K_h
102	P^-	Phosphorus atom anion	³P	K_h
103	P⁺	Phosphorus atom cation	³P	K_h
104	As	Arsenic atomic	⁴S	K_h
105	NH	Imidogen	³Σ^-	C_∞v
106	NH^-	Imidogen anion	²Π	C_∞v
107	NH⁺	imidogen cation	²Π	C_∞v
108	PH	phosphorus monohydride	³Σ^-	C_∞v
109	PH^-	phosphorus monohydride anion	²Π	C_∞v
110	PH⁺	phosphorus monohydride cation	²Π	C_∞v
111	AsH	Arsenic monohydride	³Σ	C_∞v
112	ND₂	Amidogen-d2	²B₁	C_2v
113	NH₂	Amino radical	²B₁	C_2v
114	NH₂^-	amino anion	¹A₁	C_2v
115	PH₂	Phosphino radical	²B₁	C_2v
116	PH₂^-	Phosphino anion	¹A₁	C_2v
117	PH₂⁺	Phosphino cation	¹A₁	C_2v
118	AsH₂	Arsenic dihydride	²A₁	C_2v
119	ND₃	Ammonia-d3	¹A₁	C_3v
120	NH₃	Ammonia	¹A₁	C_3v
121	NH₃⁺	ammonia cation	²A₂^"	D_3h
122	PH₃	Phosphine	¹A₁	C_3v
123	PH₃⁺	Phosphine cation	²A₁	C_3v
124	AsH₃	Arsine	¹A₁	C_3v
125	AsH₃⁺	Arsine cation	²A₁	C_3v
126	NH₄⁺	ammonium cation	¹A₁	T_d
127	PH₄⁺	phosphonium cation
128	O	Oxygen atom	³S	K_h
129	O^-	Oxygen atom anion	²P	K_h
130	O⁺	Oxygen atom cation	⁴S	K_h
131	S	Sulfur atom	³P	K_h
132	S^-	Sulfur atom anion	²P	K_h
133	S⁺	Sulfur atom cation	⁴S	K_h
134	Se	Selenium atom	³P	K_h
135	Se^-	Selenium atom anion	²P	K_h
136	Se⁺	Selenium atom cation	⁴S	K_h
137	DO	Hydroxyl-d	²Π	C_∞v
138	OH	Hydroxyl radical	²Π	C_∞v
139	OH^-	hydroxide anion	¹Σ	C_∞v
140	OH⁺	hydoxyl cation	³Σ	C_∞v
141	DS	Mercapto-d	²Π	C_∞v
142	HS	Mercapto radical	²Π	C_∞v
143	HS^-	mercapto anion	¹Σ	C_∞v
144	HS⁺	sulfur monohydride cation	³Σ	C_∞v
145	HSe	Selenium monohydride	²Π	C_∞v
146	HSe^-	selenium monohydride anion	¹Σ	C_∞v
147	HSe⁺	selenium monohydride cation	³Σ	C_∞v
148	D₂O	Deuterium oxide	¹A₁	C_2v
149	H₂O	Water	¹A₁	C_2v
150	H₂O^-	water anion	²A^'	C_s
151	H₂O⁺	water cation	²B₁	C_2v
152	HDO	Water-d1	¹A₁	C_2v
153	D₂S	Hydrogen sulfide-d2	¹A₁	C_2v
154	H₂S	Hydrogen sulfide	¹A₁	C_2v
155	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
156	H₂Se	Hydrogen selenide	¹A₁	C_2v
157	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
158	H₃O⁺	hydronium cation	¹A₁	C_3v
159	H₃S⁺	Sulfonium cation	¹A₁	C_3v
160	F	Fluorine atom	²P	K_h
161	F^-	Fluorine atom anion	¹S	K_h
162	F⁺	Fluorine atom cation	³S	K_h
163	Cl	Chlorine atom	²P	K_h
164	Cl^-	Chlorine atom anion	¹S	K_h
165	Cl⁺	Chlorine atom cation	³P	K_h
166	Br	Bromine atom	²P	K_h
167	Br^-	Bromine atom anion	¹S	K_h
168	Br⁺	Bromine atom cation	³P	K_h
169	DF	Hydrofluoric acid-d	¹Σ	C_∞v
170	HF	Hydrogen fluoride	¹Σ	C_∞v
171	HF^-	hydrogen fluoride anion	²Σ	C_∞v
172	HF⁺	hydrogen fluoride cation	²Π	C_∞v
173	DCl	Hydrochloric acid-d	¹Σ	C_∞v
174	HCl	Hydrogen chloride	¹Σ	C_∞v
175	HCl^-	hydrogen chloride anion	²Σ	C_∞v
176	HCl⁺	hydrogen chloride cation	²Π	C_∞v
177	HBr	hydrogen bromide	¹Σ	C_∞v
178	HBr^-	hydrogen bromide anion	²Σ	C_∞v
179	HBr⁺	hydrogen bromide cation	²Π	C_∞v
180	H₂F⁺	dihydrogen fluoride cation	¹A₁	C_2v
181	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
182	Ne	Neon atom	¹S	K_h
183	Ne^-	Neon atom anion	²S	K_h
184	Ne⁺	Neon atom cation	²P	K_h
185	Ar	Argon atom	¹S	K_h
186	Ar^-	Argon atom anion	²S	K_h
187	Ar⁺	Argon atom cation	²P	K_h
188	NeH⁺	neon hydrogen cation	¹Σ	C_∞v
189	ArH⁺	Argon hydride cation	¹Σ	C_∞v
190	Li₂	Lithium diatomic	¹Σ_g	D_∞v
191	Li₂^-	lithium diatomic anion	²Σ_u	D_∞h
192	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
193	NaLi	lithium sodium	¹Σ	C_∞v
194	NaLi^-	lithium sodium anion	²Σ	C_∞v
195	NaLi⁺	lithium sodium cation	²Σ	C_∞v
196	Na₂	Sodium diatomic	¹Σ_g	D_∞h
197	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
198	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
199	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
200	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
201	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
202	Mg₂^-	magnesium diatomic anion	²Π_U	D_∞h
203	Mg₂⁺	magnesium diatomic cation	²Σ_u	D_∞h
204	B₂	Boron diatomic	³Σ_g	D_∞h
205	B₂^-	Boron diatomic anion	⁴Σ_g	D_∞h
206	B₂⁺	Boron diatomic cation	²Π	D_∞h
207	Al₂	Aluminum diatomic	³Σ_g	D_∞h
208	Al₂^-	aluminum diatomic anion	⁴Σ_g	D_∞h
209	Al₂⁺	aluminum diatomic cation	²Σ_g	D_∞h
210	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
211	B₂H₆	Diborane	¹A_g	D_2h
212	BC	boron monocarbide	⁴Σ^-	C_∞v
213	BC	boron monocarbide	²Π	C_∞v
214	BC^-	boron monocarbide anion	³Π_u	C_∞v
215	BC⁺	boron monocarbide cation	³Σ	C_∞v
216	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
217	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
218	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
219	SiC	silicon monocarbide	³Σ	C_∞v
220	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
221	SiC⁺	silicon monocarbide cation	²Π	C_∞v
222	Si₂	Silicon diatomic	³Σ_g	D_∞h
223	Si₂^-	silcon diatomic anion	²Σ_g	D_∞h
224	Si₂⁺	silcon diatomic cation	²Π	D_∞h
225	C₂H	Ethynyl radical	²Σ	C_∞v
226	C₂H^-	Ethynyl anion	¹Σ	C_∞v
227	C₂H⁺	Ethynyl cation	³Π	C_∞v
228	C₂H₂	Acetylene	¹Σ_g	D_∞h
229	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
230	CCH₂	vinylidene	¹A₁	C_2v
231	CH₃Li	methyl lithium	¹A₁	C_3v
232	C₂H₃	vinyl	²A^'	C_s
233	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
234	C₂H₄	Ethylene	¹A_g	D_2h
235	C₂H₄^-	Ethylene anion	²B_2g	D_2h
236	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
237	CH₃CH	methylmethylene	³A^"	C_s
238	CH₂SiH₂	silaethylene	¹A₁	C_2v
239	C₂H₅	Ethyl radical	²A^'	C_s
240	C₂H₅⁺	Ethyl cation	¹A^'	C_s
241	C₂H₆	Ethane	¹A_1g	D_3d
242	CH₃SiH₃	methyl silane	¹A₁	C₃
243	Si₂H₆	disilane	¹E_u	D_3d
244	LiN	Lithium Nitride	³Σ	C_∞v
245	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
246	BeN	Beryllium mononitride	⁴Σ	C_∞v
247	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
248	BN^-	boron nitride anion	²Σ	C_∞v
249	AlN⁺	aluminum mononitride cation	²Π	C_∞v
250	BN	boron nitride	³Π	C_∞v
251	BN⁺	boron nitride cation	²Π	C_∞v
252	AlN	Aluminum nitride	³Π_i	C_∞v
253	CN	Cyano radical	²Σ	C_∞v
254	CN^-	cyanide anion	¹Σ	C_∞v
255	CN⁺	Cyano cation	¹Σ	C_∞v
256	CP	Carbon monophosphide	²Σ	C_∞v
257	CP^-	carbon monophosphide anion	¹Σ	C_∞v
258	CP⁺	carbon monophosphide cation	³Σ	C_∞v
259	SiN	Silicon nitride	²Σ	C_∞v
260	SiN^-	silicon mononitride anion	¹Σ	C_∞v
261	SiN⁺	silicon mononitride cation	³Π	C_∞v
262	SiP	Silicon monophosphide	²Π	C_∞v
263	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
264	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
265	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
266	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
267	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
268	PN	Phosphorus mononitride	¹Σ	C_∞v
269	PN^-	phosphorus nitride anion	²Π	C_∞v
270	PN⁺	phosphorus nitride cation	²Π	C_∞v
271	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
272	P₂^-	phosphorus diatomic anion	²Π_g	D_∞h
273	P₂⁺	phosphorus diatomic cation	²Π_U	D_∞h
274	As₂	Arsenic diatomic	¹Σ_g	D_∞h
275	HNB	hydrogen nitrogen boron	²Σ	C_∞v
276	HNC	hydrogen isocyanide	¹Σ	C_∞v
277	HCN	Hydrogen cyanide	¹Σ	C_∞v
278	HCN^-	Hydrogen cyanide anion	²A^'	C_s
279	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
280	HCP	Phosphaethyne	¹Σ	C_∞v
281	NNH	Dinitrogen monohydride	²A^'	C_s
282	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
283	HPO	Hydrogen phosphorus oxide	¹A^'	C_s
284	N₂H₂	(E)-diazene	¹A_g	C_2h
285	CH₂NH	Methanimine	¹A^'	C_s
286	CH₂PH	Phosphaethene	¹A^'	C_s
287	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
288	N₂H₄	Hydrazine	¹A	C₂
289	P₂H₄	Diphosphine	¹A	C₂
290	CH₃NH₂	methyl amine	¹A^'	C_s
291	CH₃PH₂	Methyl phosphine	¹A^'	C_s
292	BH₃NH₃	borane ammonia	¹A₁	C_3v
293	CH₃NH₃⁺	protonated methylamine	¹A₁	C_3v
294	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
295	LiO	lithium oxide	²Σ	C_∞v
296	LiO⁺	lithium oxide cation	³Σ	C_∞v
297	NaO	sodium monoxide	²Σ	C_∞v
298	NaO⁺	sodium oxide cation	³Σ	C_∞v
299	BeO	beryllium oxide	¹Σ	C_∞v
300	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
301	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
302	BeS	beryllium sulfide	¹Σ	C_∞v
303	MgO	magnesium oxide	¹Σ⁺	C_∞v
304	MgO^-	magnesium oxide anion	²Σ	C_∞v
305	MgO⁺	magnesium oxide cation	²Π	C_∞v
306	CaO	Calcium monoxide	¹Σ	C_∞v
307	MgS	magnesium sulfide	¹Σ	C_∞v
308	MgS^-	magnesium sulfide anion	²Σ	C_∞v
309	MgS⁺	magnesium sulfide cation	²Π	C_∞v
310	BeS^-	Beryllium monosulfide anion	²Σ	C_∞v
311	BeS⁺	Beryllium monosulfide cation	²Π	C_∞v
312	BO	boron monoxide	²Σ	C_∞v
313	BO^-	boron monoxide anion	¹Σ	C_∞v
314	AlO	Aluminum monoxide	²Σ	C_∞v
315	AlO^-	Aluminum monoxide anion	¹Σ	C_∞v
316	AlO⁺	aluminum monoxide cation	¹Σ	C_∞v
317	BS	boron sulfide	²Σ	C_∞v
318	BS^-	boron monosulfide anion	¹Σ	C_∞v
319	BS⁺	boron monosulfide cation	¹Σ	C_∞v
320	AlS	Aluminum sulfide	²Σ	C_∞v
321	AlS^-	aluminum monosulfide anion	¹Σ	C_∞v
322	AlS⁺	aluminum monosulfide cation	¹Σ	C_∞v
323	BO⁺	boron monoxide cation	¹Σ	C_∞v
324	CO	Carbon monoxide	¹Σ	C_∞v
325	CO^-	carbon monoxide anion	²Π	C_∞v
326	CO⁺	carbon monoxide cation	²Σ	C_∞v
327	CS	carbon monosulfide	¹Σ	C_∞v
328	CS^-	carbon monosulfide anion	²Π	C_∞v
329	CS⁺	carbon monosulfide cation	²Σ	C_∞v
330	SiO	Silicon monoxide	¹Σ	C_∞v
331	SiO^-	silicon monoxide anion	²Π	C_∞v
332	SiO⁺	silicon monoxide cation	²Σ	C_∞v
333	SiS	silicon monosulfide	¹Σ	C_∞v
334	SiS^-	silicon monosulfide anion	²Π	C_∞v
335	SiS⁺	silicon monosulfide cation	²Σ	C_∞v
336	CSe	Carbon monoselenide	¹Σ	C_∞v
337	CSe^-	Carbon monoselenide anion	²Π	C_∞v
338	CSe⁺	Carbon monoselenide cation	²Σ	C_∞v
339	NO	Nitric oxide	²Π	C_∞v
340	NO^-	nitric oxide anion	³Σ	C_∞v
341	NO⁺	nitric oxide cation	¹Σ	C_∞v
342	NS	Mononitrogen monosulfide	²Π	C_∞v
343	NS^-	nitrogen sulfide anion	³Σ	C_∞v
344	NS⁺	nitrogen sulfide cation	¹Σ	C_∞v
345	PO	Phosphorus monoxide	²Π	C_∞v
346	PO^-	phosphorus monoxide anion	³Σ	C_∞v
347	PO⁺	phosphorus monoxide cation	¹Σ	C_∞v
348	PS	phosphorus sulfide	²Σ	C_∞v
349	PS^-	phosphorus monosulfide anion	³Σ	C_∞v
350	PS⁺	phosphorus monosulfide cation	¹Σ	C_∞v
351	AsO	Arsenic monoxide	²Π	C_∞v
352	O₂	Oxygen diatomic	³Σ_g	D_∞h
353	O₂^-	oxygen diatomic anion	²Π	D_∞h
354	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
355	SO	Sulfur monoxide	³Σ	C_∞v
356	SO^-	sulfur monoxide anion	²Π	C_∞v
357	SO⁺	sulfur monoxide cation	²Π	C_∞v
358	S₂	Sulfur diatomic	³Σ_g	D_∞h
359	S₂^-	sulfur diatomic anion	²Π	D_∞h
360	S₂⁺	sulfur diatomic cation	²Π	D_∞h
361	SeO	Selenium monoxide	³Σ	C_∞v
362	SeO^-	selenium monoxide anion	²Π	C_∞v
363	SeO⁺	selenium monoxide cation	²Π	C_∞v
364	SeS	Selenium monosulfide	³Σ	C_∞v
365	SeS^-	selenium monosulfide anion	²Π	C_∞v
366	SeS⁺	selenium monosulfide cation	²Π	C_∞v
367	Se₂	Selenium diatomic	³Σ_g	D_∞h
368	Se₂^-	selenium diatomic anion	²Π	D_∞h
369	Se₂⁺	selenium diatomic cation	²Π_g	D_∞h
370	LiOH	lithium hydroxide	¹Σ	C_∞v
371	NaOH	sodium hydroxide	¹Σ	C_∞v
372	BeOH	beryllium monohydroxide	²A^'	C_s
373	MgOH	magnesium hydroxide	²A^'	C_s
374	CaOH	Calcium monohydroxide	²Σ⁺	C_∞v
375	HBO	Boron hydride oxide	¹Σ	C_∞v
376	HBS	hydrogen boron sulfide	¹Σ	C_∞v
377	HCO	Formyl radical	²A^'	C_s
378	HCO^-	formyl anion	¹A^'	C_s
379	HCO⁺	Formyl cation	¹Σ	C_∞v
380	HCS	Thioformyl radical	²A^'	C_s
381	HCS^-	Thioformyl anion	¹A^'	C_s
382	HCS⁺	Thioformyl cation	¹Σ	C_∞v
383	HNO	Nitrosyl hydride	¹A^'	C_s
384	HNO^-	Nitrosyl hydride anion	²A^"	C_s
385	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
386	HNS	Sulfur imide	¹A^'	C_s
387	HO₂	Hydroperoxy radical	²A^"	C_s
388	HO₂^-	Hydroperoxy anion	¹A^'	C_s
389	H₂CO	Formaldehyde	¹A₁	C_2v
390	H₂CO^-	formaldehyde anion	²A^'	C_s
391	H₂CO⁺	formaldehyde cation	²B₂	C_2v
392	H₂CS	Thioformaldehyde	¹A₁	C_2v
393	H₂O₂	Hydrogen peroxide	¹A	C₂
394	H₂S₂	Disulfane	¹A	C₂
395	CH₂OH	Hydroxymethyl radical	²A	C₁
396	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
397	CH₃O	Methoxy radical	²A^'	C₁
398	CH₃S	thiomethoxy	²A^'	C_3v
399	NH₂OH	hydroxylamine	¹A^'	C_s
400	CH₃OH	Methyl alcohol	¹A^'	C_s
401	CH₃SH	Methanethiol	¹A^'	C_s
402	CH₃SeH	Methane selenol	¹A^'	C_s
403	H₂OH₂O	water dimer	¹A^'	C_s
404	H₂ONH₃	Water Ammonia Dimer	¹A^'	C₁
405	LiF	lithium fluoride	¹Σ	C_∞v
406	LiCl	lithium chloride	¹Σ	C_∞v
407	LiCl^-	lithium chloride anion	²Σ	C_∞v
408	LiCl⁺	lithium chloride cation	²Π	C_∞v
409	NaF	sodium fluoride	¹Σ	C_∞v
410	NaF^-	sodium fluoride anion	²Σ	C_∞v
411	NaF⁺	sodium fluoride cation	²Σ	C_∞v
412	KF	Potassium Fluoride	¹Σ	C_∞v
413	NaCl	Sodium Chloride	¹Σ	C_∞v
414	NaCl^-	sodium chloride anion	²Σ	C_∞v
415	NaCl⁺	sodium chloride cation	²Π	C_∞v
416	KCl	Potassium Chloride	¹Σ	C_∞v
417	LiBr	Lithium Bromide	¹Σ	C_∞v
418	LiBr^-	lithium bromide anion	²Σ	C_∞v
419	LiBr⁺	lithium bromide cation	²Π	C_∞v
420	NaBr	Sodium Bromide	¹Σ	C_∞v
421	NaBr^-	sodium bromide anion	²Σ	C_∞v
422	NaBr⁺	sodium bromide cation	²Π	C_∞v
423	KBr	Potassium Bromide	¹Σ	C_∞v
424	LiF^-	lithium fluoride anion	²Σ	C_∞v
425	LiF⁺	lithium fluoride cation	²Π	C_∞v
426	BeF	Beryllium monofluoride	²Σ	C_∞v
427	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
428	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
429	BeCl	beryllium monochloride	²Σ	C_∞v
430	MgF	Magnesium monofluoride	²Σ	C_∞v
431	MgF^-	magnesium fluoride anion	¹Σ	C_∞v
432	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
433	CaF	Calcium monofluoride	²Σ	C_∞v
434	MgCl	magnesium monochloride	²Σ	C_∞v
435	MgCl^-	magnesium monochloride anion	¹Σ	C_∞v
436	MgCl⁺	magnesium monochloride cation	¹Σ	C_∞v
437	CaCl	calcium monochloride	²Σ	C_∞v
438	BeCl^-	beryllium monochloride anion	¹Σ	C_∞v
439	BeCl⁺	beryllium monochloride cation	¹Σ	C_∞v
440	BF	Boron monofluoride	¹Σ	C_∞v
441	BF^-	Boron monofluoride anion	²Π	C_∞v
442	BF⁺	Boron monofluoride cation	²Σ	C_∞v
443	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
444	AlF^-	Aluminum monofluoride anion	²Π	C_∞v
445	AlF⁺	Aluminum monofluoride cation	²Σ	C_∞v
446	BCl	boron monochloride	¹Σ	C_∞v
447	BCl^-	boron monochloride anion	²Π	C_∞v
448	BCl⁺	boron monochloride cation	²Σ	C_∞v
449	AlCl	Aluminum monochloride	¹Σ	C_∞v
450	AlCl^-	aluminum monochloride anion	²Π	C_∞v
451	AlCl⁺	aluminum monochloride cation	²Σ	C_∞v
452	CF	Fluoromethylidyne	²Π	C_∞v
453	CF^-	carbon monofluoride anion	³Σ	C_∞v
454	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
455	CCl	carbon monochloride	²Π	C_∞v
456	CCl^-	carbon monochloride anion	³Σ	C_∞v
457	CCl⁺	carbon monochloride cation	¹Σ	C_∞v
458	SiF	silicon monofluoride	²Π	C_∞v
459	SiF^-	silicon monofluoride anion	³Σ	C_∞v
460	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
461	SiCl	Clorosilylidyne	²Π	C_∞v
462	SiCl^-	silicon monochloride anion	³Σ	C_∞v
463	SiCl⁺	silicon monochloride cation	¹Σ	C_∞v
464	NF	nitrogen fluoride	³Σ	C_∞v
465	NF^-	nitrogen monofluorine anion	²Π	C_∞v
466	NF⁺	nitrogen monofluoirde cation	²Π	C_∞v
467	NCl	nitrogen monochloride	³Σ	C_∞v
468	NCl^-	nitrogen monochloride anion	²Π	C_∞v
469	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
470	PF	phosphorus monofluoride	³Σ	C_∞v
471	PF^-	phosphorus monofluoride anion	²Π	C_∞v
472	PF⁺	phosphorus monofluoride cation	²Π	C_∞v
473	PCl	phosphorus chloride	³Σ	C_∞v
474	PCl^-	phosphorus monochloride anion	²Π	C_∞v
475	PCl⁺	phosphorus monochloride cation	²Π	C_∞v
476	AsF	Arsenic monofluoride	³Σ	C_∞v
477	FO	Oxygen monofluoride	²Π	C_∞v
478	FO^-	flourine oxide anion	¹Σ	C_∞v
479	FO⁺	fluorine monoxide cation	³Σ	C_∞v
480	ClO	Monochlorine monoxide	²Π	C_∞v
481	ClO^-	chlorine monoxide anion	¹Σ	C_∞v
482	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
483	SF	Monosulfur monofluoride	²Π	C_∞v
484	SF^-	sulfur monofluoride anion	¹Σ	C_∞v
485	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
486	SCl	sulfur monochloride	²Π	C_∞v
487	SCl^-	sulfur monochloride anion	¹Σ	C_∞v
488	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
489	BrCl	Bromine monochloride	¹Σ	C_∞v
490	F₂	Fluorine diatomic	¹Σ_g	D_∞h
491	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
492	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
493	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
494	ClF⁺	clorine monofluoride cation	²Π	C_∞v
495	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
496	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
497	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
498	BrF	Bromine monofluoride	¹Σ	C_∞v
499	BrF⁺	bromine fluoride cation	²Π	C_∞v
500	BrCl^-	bromine chloride anion	²Σ	C_∞v

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H^-

Hydrogen atom anion

²S

K_h

D₂

Deuterium diatomic

¹Σ_g

D_∞h

H₂

Hydrogen diatomic

¹Σ_g

D_∞h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

H₂⁺

Hydrogen cation

²Σ_g⁺

D_∞h

Deuterium hydride

¹Σ_g

D_∞h

H₃⁺

hydrogen trimer cation

¹A₁^'

D_3h

Helium atom

¹S

K_h

He^-

Helium atom anion

²S

K_h

He⁺

Helium atom cation

²S

K_h

HeH⁺

Helium hydride cation

¹Σ

C_∞v

He₂⁺

helium diatomic cation

²Σ_u

D_∞h

Lithium atom

²S

K_h

Li^-

Lithium atom anion

¹S

K_h

Li⁺

Lithium atom cation

¹S

K_h

Sodium atom

²S

K_h

Na^-

Sodium atom anion

¹S

K_h

Na⁺

Sodium atom cation

¹S

K_h

Potassium atom

²S

K_h

K^-

Potassium atom anion

¹S

K_h

K⁺

Potassium atom cation

¹S

K_h

LiH

Lithium Hydride

¹Σ

C_∞v

LiH^-

lithium hydride anion

²Σ

C_∞v

LiH⁺

lithium hydride cation

²Σ

C_∞v

NaH

sodium hydride

¹Σ

C_∞v

NaH^-

sodium hydride anion

²Σ

C_∞v

NaH⁺

sodium hydride cation

²Σ

C_∞v

Potassium hydride

¹Σ

C_∞v

Beryllium atom

¹S

K_h

Be^-

Beryllium atom anion

²P

K_h

Be⁺

Beryllium atom cation

²S

K_h

Magnesium atom

¹S

K_h

Mg^-

Magnesium atom anion

²P

K_h

Mg⁺

Magnesium atom cation

²S

K_h

Calcium atom

¹S

K_h

Ca⁺

Calcium atom cation

²S

K_h

BeH

beryllium monohydride

²Σ

C_∞v

BeH^-

berylium monohydride anion

¹Σ

C_∞v

BeH⁺

beryllium monohydride cation

¹Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

MgH^-

magnesium monohydride anion

¹Σ

C_∞v

MgH⁺

magnesium monohydride cation

¹Σ

C_∞v

CaH

Calcium monohydride

²Σ

C_∞v

BeH₂

beryllium dihydride

¹Σ_g

D_∞h

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Boron atom

²P

K_h

B^-

Boron atom anion

³P

K_h

B⁺

Boron atom cation

¹S

K_h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Boron monohydride

¹Σ

C_∞v

BH^-

boron monohydride anion

²Π

C_∞v

BH⁺

boron monohydride cation

²Σ

C_∞v

AlH

aluminum monohydride

¹Σ

C_∞v

AlH^-

aluminum monohydride anion

²Π

C_∞v

AlH⁺

aluminum monohydride cation

²Σ

C_∞v

BH₂

boron dihydride

²A₁

C_2v

AlH₂

aluminum dihydride

²A₁

C_2v

AlH₂^-

aluminum dihydride anion

¹A₁

C_2v

AlH₂⁺

aluminum dihydride cation

¹Σ_g

D_∞h

BH₃

boron trihydride

¹A₁^'

D_3h

BH₃^-

boron trihydride anion

²A₁

C_3v

BH₃⁺

boron trihydride cation

²E^'

D_3h

AlH₃

aluminum trihydride

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

²A₂^"

D_3h

AlH₃⁺

aluminum trihydride cation

²E

D_3h

BH₄^-

borohydride anion

¹A₁

T_d

AlH₄^-

Aluminum tetrahydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

C^-

Carbon atom anion

²D

K_h

C⁺

Carbon atom cation

²P

K_h

Silicon atom

³P

K_h

Si^-

Silicon atom anion

⁴S

K_h

Si⁺

Silicon atom cation

²P

K_h

Methylidyne

²Π_1/2

C_∞v

CH^-

methylidyne anion

³Σ

C_∞v

CH⁺

Methylidyne cation

¹Σ

C_∞v

SiH

Silylidyne

²Π

C_∞v

SiH^-

silicon monohydride anion

³Σ

C_∞v

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

SiH₂

silicon dihydride

¹A₁

C_2v

SiH₂^-

silicon dihydride anion

²B₁

C_2v

SiH₂⁺

silicon dihydride cation

²A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

CH₃^-

methyl anion

¹A₁

C_3v

CH₃⁺

methyl cation

¹A₁^'

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃^-

Silyl anion

¹A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄⁺

Methane cation

²T₂

T_d

SiH₄

Silane

¹A₁

T_d

Nitrogen atom

⁴S

K_h

N^-

Nitrogen atom anion

³S

K_h

100

N⁺

Nitrogen atom cation

³P

K_h

101

Phosphorus atom

⁴S

K_h

102

P^-

Phosphorus atom anion

³P

K_h

103

P⁺

Phosphorus atom cation

³P

K_h

104

Arsenic atomic

⁴S

K_h

105

Imidogen

³Σ^-

C_∞v

106

NH^-

Imidogen anion

²Π

C_∞v

107

NH⁺

imidogen cation

²Π

C_∞v

108

phosphorus monohydride

³Σ^-

C_∞v

109

PH^-

phosphorus monohydride anion

²Π

C_∞v

110

PH⁺

phosphorus monohydride cation

²Π

C_∞v

111

AsH

Arsenic monohydride

³Σ

C_∞v

112

ND₂

Amidogen-d2

²B₁

C_2v

113

NH₂

Amino radical

²B₁

C_2v

114

NH₂^-

amino anion

¹A₁

C_2v

115

PH₂

Phosphino radical

²B₁

C_2v

116

PH₂^-

Phosphino anion

¹A₁

C_2v

117

PH₂⁺

Phosphino cation

¹A₁

C_2v

118

AsH₂

Arsenic dihydride

²A₁

C_2v

119

ND₃

Ammonia-d3

¹A₁

C_3v

120

NH₃

Ammonia

¹A₁

C_3v

121

NH₃⁺

ammonia cation

²A₂^"

D_3h

122

PH₃

Phosphine

¹A₁

C_3v

123

PH₃⁺

Phosphine cation

²A₁

C_3v

124

AsH₃

Arsine

¹A₁

C_3v

125

AsH₃⁺

Arsine cation

²A₁

C_3v

126

NH₄⁺

ammonium cation

¹A₁

T_d

127

PH₄⁺

phosphonium cation

128

Oxygen atom

³S

K_h

129

O^-

Oxygen atom anion

²P

K_h

130

O⁺

Oxygen atom cation

⁴S

K_h

131

Sulfur atom

³P

K_h

132

S^-

Sulfur atom anion

²P

K_h

133

S⁺

Sulfur atom cation

⁴S

K_h

134

Selenium atom

³P

K_h

135

Se^-

Selenium atom anion

²P

K_h

136

Se⁺

Selenium atom cation

⁴S

K_h

137

Hydroxyl-d

²Π

C_∞v

138

Hydroxyl radical

²Π

C_∞v

139

OH^-

hydroxide anion

¹Σ

C_∞v

140

OH⁺

hydoxyl cation

³Σ

C_∞v

141

Mercapto-d

²Π

C_∞v

142

Mercapto radical

²Π

C_∞v

143

HS^-

mercapto anion

¹Σ

C_∞v

144

HS⁺

sulfur monohydride cation

³Σ

C_∞v

145

HSe

Selenium monohydride

²Π

C_∞v

146

HSe^-

selenium monohydride anion

¹Σ

C_∞v

147

HSe⁺

selenium monohydride cation

³Σ

C_∞v

148

D₂O

Deuterium oxide

¹A₁

C_2v

149

H₂O

Water

¹A₁

C_2v

150

H₂O^-

water anion

²A^'

C_s

151

H₂O⁺

water cation

²B₁

C_2v

152

HDO

Water-d1

¹A₁

C_2v

153

D₂S

Hydrogen sulfide-d2

¹A₁

C_2v

154

H₂S

Hydrogen sulfide

¹A₁

C_2v

155

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

156

H₂Se

Hydrogen selenide

¹A₁

C_2v

157

H₂Se⁺

Hydrogen selenide cation

²B₁

C_2v

158

H₃O⁺

hydronium cation

¹A₁

C_3v

159

H₃S⁺

Sulfonium cation

¹A₁

C_3v

160

Fluorine atom

²P

K_h

161

F^-

Fluorine atom anion

¹S

K_h

162

F⁺

Fluorine atom cation

³S

K_h

163

Chlorine atom

²P

K_h

164

Cl^-

Chlorine atom anion

¹S

K_h

165

Cl⁺

Chlorine atom cation

³P

K_h

166

Bromine atom

²P

K_h

167

Br^-

Bromine atom anion

¹S

K_h

168

Br⁺

Bromine atom cation

³P

K_h

169

Hydrofluoric acid-d

¹Σ

C_∞v

170

Hydrogen fluoride

¹Σ

C_∞v

171

HF^-

hydrogen fluoride anion

²Σ

C_∞v

172

HF⁺

hydrogen fluoride cation

²Π

C_∞v

173

DCl

Hydrochloric acid-d

¹Σ

C_∞v

174

HCl

Hydrogen chloride

¹Σ

C_∞v

175

HCl^-

hydrogen chloride anion

²Σ

C_∞v

176

HCl⁺

hydrogen chloride cation

²Π

C_∞v

177

HBr

hydrogen bromide

¹Σ

C_∞v

178

HBr^-

hydrogen bromide anion

²Σ

C_∞v

179

HBr⁺

hydrogen bromide cation

²Π

C_∞v

180

H₂F⁺

dihydrogen fluoride cation

¹A₁

C_2v

181

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

182

Neon atom

¹S

K_h

183

Ne^-

Neon atom anion

²S

K_h

184

Ne⁺

Neon atom cation

²P

K_h

185

Argon atom

¹S

K_h

186

Ar^-

Argon atom anion

²S

K_h

187

Ar⁺

Argon atom cation

²P

K_h

188

NeH⁺

neon hydrogen cation

¹Σ

C_∞v

189

ArH⁺

Argon hydride cation

¹Σ

C_∞v

190

Li₂

Lithium diatomic

¹Σ_g

D_∞v

191

Li₂^-

lithium diatomic anion

²Σ_u

D_∞h

192

Li₂⁺

lithium diatomic cation

²Σ_g

D_∞h

193

NaLi

lithium sodium

¹Σ

C_∞v

194

NaLi^-

lithium sodium anion

²Σ

C_∞v

195

NaLi⁺

lithium sodium cation

²Σ

C_∞v

196

Na₂

Sodium diatomic

¹Σ_g

D_∞h

197

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

198

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

199

Be₂^-

Beryllium diatomic anion

²Π_u

D_∞h

200

Be₂⁺

Beryllium diatomic cation

²Σ_u

D_∞h

201

Mg₂

Magnesium diatomic

¹Σ_g

D_∞h

202

Mg₂^-

magnesium diatomic anion

²Π_U

D_∞h

203

Mg₂⁺

magnesium diatomic cation

²Σ_u

D_∞h

204

B₂

Boron diatomic

³Σ_g

D_∞h

205

B₂^-

Boron diatomic anion

⁴Σ_g

D_∞h

206

B₂⁺

Boron diatomic cation

²Π

D_∞h

207

Al₂

Aluminum diatomic

³Σ_g

D_∞h

208

Al₂^-

aluminum diatomic anion

⁴Σ_g

D_∞h

209

Al₂⁺

aluminum diatomic cation

²Σ_g

D_∞h

210

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

211

B₂H₆

Diborane

¹A_g

D_2h

212

boron monocarbide

⁴Σ^-

C_∞v

213

boron monocarbide

²Π

C_∞v

214

BC^-

boron monocarbide anion

³Π_u

C_∞v

215

BC⁺

boron monocarbide cation

³Σ

C_∞v

216

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

217

C₂^-

carbon diatomic anion

²Σ_g

D_∞h

218

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

219

SiC

silicon monocarbide

³Σ

C_∞v

220

SiC^-

silicon monocarbide anion

²Σ_g

C_∞v

221

SiC⁺

silicon monocarbide cation

²Π

C_∞v

222

Si₂

Silicon diatomic

³Σ_g

D_∞h

223

Si₂^-

silcon diatomic anion

²Σ_g

D_∞h

224

Si₂⁺

silcon diatomic cation

²Π

D_∞h

225

C₂H

Ethynyl radical

²Σ

C_∞v

226

C₂H^-

Ethynyl anion

¹Σ

C_∞v

227

C₂H⁺

Ethynyl cation

³Π

C_∞v

228

C₂H₂

Acetylene

¹Σ_g

D_∞h

229

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

230

CCH₂

vinylidene

¹A₁

C_2v

231

CH₃Li

methyl lithium

¹A₁

C_3v

232

C₂H₃

vinyl

²A^'

C_s

233

C₂H₃⁺

vinyl cation

¹A₁

C2V HCCH2

234

C₂H₄

Ethylene

¹A_g

D_2h

235

C₂H₄^-

Ethylene anion

²B_2g

D_2h

236

C₂H₄⁺

Ethylene cation

²B_3u

D_2h

237

CH₃CH

methylmethylene

³A^"

C_s

238

CH₂SiH₂

silaethylene

¹A₁

C_2v

239

C₂H₅

Ethyl radical

²A^'

C_s

240

C₂H₅⁺

Ethyl cation

¹A^'

C_s

241

C₂H₆

Ethane

¹A_1g

D_3d

242

CH₃SiH₃

methyl silane

¹A₁

C₃

243

Si₂H₆

disilane

¹E_u

D_3d

244

LiN

Lithium Nitride

³Σ

C_∞v

245

LiN⁺

Lithium Nitride cation

⁴Σ

C_∞v

246

BeN

Beryllium mononitride

⁴Σ

C_∞v

247

BeN^-

Beryllium mononitride anion

¹Σ

C_∞v

248

BN^-

boron nitride anion

²Σ

C_∞v

249

AlN⁺

aluminum mononitride cation

²Π

C_∞v

250

boron nitride

³Π

C_∞v

251

BN⁺

boron nitride cation

²Π

C_∞v

252

AlN

Aluminum nitride

³Π_i

C_∞v

253

Cyano radical

²Σ

C_∞v

254

CN^-

cyanide anion

¹Σ

C_∞v

255

CN⁺

Cyano cation

¹Σ

C_∞v

256

Carbon monophosphide

²Σ

C_∞v

257

CP^-

carbon monophosphide anion

¹Σ

C_∞v

258

CP⁺

carbon monophosphide cation

³Σ

C_∞v

259

SiN

Silicon nitride

²Σ

C_∞v

260

SiN^-

silicon mononitride anion

¹Σ

C_∞v

261

SiN⁺

silicon mononitride cation

³Π

C_∞v

262

SiP

Silicon monophosphide

²Π

C_∞v

263

SiP^-

Silicon monophosphide anion

¹Σ

C_∞v

264

SiP⁺

Silicon monophosphide cation

³Σ

C_∞v

265

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

266

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

267

N₂⁺

diatomic nitrogen cation

²Σ_g

D_∞h

268

Phosphorus mononitride

¹Σ

C_∞v

269

PN^-

phosphorus nitride anion

²Π

C_∞v

270

PN⁺

phosphorus nitride cation

²Π

C_∞v

271

P₂

Phosphorus diatomic

¹Σ_g

D_∞h

272

P₂^-

phosphorus diatomic anion

²Π_g

D_∞h

273

P₂⁺

phosphorus diatomic cation

²Π_U

D_∞h

274

As₂

Arsenic diatomic

¹Σ_g

D_∞h

275

HNB

hydrogen nitrogen boron

²Σ

C_∞v

276

HNC

hydrogen isocyanide

¹Σ

C_∞v

277

HCN

Hydrogen cyanide

¹Σ

C_∞v

278

HCN^-

Hydrogen cyanide anion

²A^'

C_s

279

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

280

HCP

Phosphaethyne

¹Σ

C_∞v

281

NNH

Dinitrogen monohydride

²A^'

C_s

282

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

283

HPO

Hydrogen phosphorus oxide

¹A^'

C_s

284

N₂H₂

(E)-diazene

¹A_g

C_2h

285

CH₂NH

Methanimine

¹A^'

C_s

286

CH₂PH

Phosphaethene

¹A^'

C_s

287

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

288

N₂H₄

Hydrazine

¹A

C₂

289

P₂H₄

Diphosphine

¹A

C₂

290

CH₃NH₂

methyl amine

¹A^'

C_s

291

CH₃PH₂

Methyl phosphine

¹A^'

C_s

292

BH₃NH₃

borane ammonia

¹A₁

C_3v

293

CH₃NH₃⁺

protonated methylamine

¹A₁

C_3v

294

NH₃NH₃

Ammonia Dimer

¹A_g

C_2h

295

LiO

lithium oxide

²Σ

C_∞v

296

LiO⁺

lithium oxide cation

³Σ

C_∞v

297

NaO

sodium monoxide

²Σ

C_∞v

298

NaO⁺

sodium oxide cation

³Σ

C_∞v

299

BeO

beryllium oxide

¹Σ

C_∞v

300

BeO^-

Beryllium monoxide anion

²Σ

C_∞v

301

BeO⁺

Beryllium monoxide cation

²Π

C_∞v

302

BeS

beryllium sulfide

¹Σ

C_∞v

303

MgO

magnesium oxide

¹Σ⁺

C_∞v

304

MgO^-

magnesium oxide anion

²Σ

C_∞v

305

MgO⁺

magnesium oxide cation

²Π

C_∞v

306

CaO

Calcium monoxide

¹Σ

C_∞v

307

MgS

magnesium sulfide

¹Σ

C_∞v

308

MgS^-

magnesium sulfide anion

²Σ

C_∞v

309

MgS⁺

magnesium sulfide cation

²Π

C_∞v

310

BeS^-

Beryllium monosulfide anion

²Σ

C_∞v

311

BeS⁺

Beryllium monosulfide cation

²Π

C_∞v

312

boron monoxide

²Σ

C_∞v

313

BO^-

boron monoxide anion

¹Σ

C_∞v

314

AlO

Aluminum monoxide

²Σ

C_∞v

315

AlO^-

Aluminum monoxide anion

¹Σ

C_∞v

316

AlO⁺

aluminum monoxide cation

¹Σ

C_∞v

317

boron sulfide

²Σ

C_∞v

318

BS^-

boron monosulfide anion

¹Σ

C_∞v

319

BS⁺

boron monosulfide cation

¹Σ

C_∞v

320

AlS

Aluminum sulfide

²Σ

C_∞v

321

AlS^-

aluminum monosulfide anion

¹Σ

C_∞v

322

AlS⁺

aluminum monosulfide cation

¹Σ

C_∞v

323

BO⁺

boron monoxide cation

¹Σ

C_∞v

324

Carbon monoxide

¹Σ

C_∞v

325

CO^-

carbon monoxide anion

²Π

C_∞v

326

CO⁺

carbon monoxide cation

²Σ

C_∞v

327

carbon monosulfide

¹Σ

C_∞v

328

CS^-

carbon monosulfide anion

²Π

C_∞v

329

CS⁺

carbon monosulfide cation

²Σ

C_∞v

330

SiO

Silicon monoxide

¹Σ

C_∞v

331

SiO^-

silicon monoxide anion

²Π

C_∞v

332

SiO⁺

silicon monoxide cation

²Σ

C_∞v

333

SiS

silicon monosulfide

¹Σ

C_∞v

334

SiS^-

silicon monosulfide anion

²Π

C_∞v

335

SiS⁺

silicon monosulfide cation

²Σ

C_∞v

336

CSe

Carbon monoselenide

¹Σ

C_∞v

337

CSe^-

Carbon monoselenide anion

²Π

C_∞v

338

CSe⁺

Carbon monoselenide cation

²Σ

C_∞v

339

Nitric oxide

²Π

C_∞v

340

NO^-

nitric oxide anion

³Σ

C_∞v

341

NO⁺

nitric oxide cation

¹Σ

C_∞v

342

Mononitrogen monosulfide

²Π

C_∞v

343

NS^-

nitrogen sulfide anion

³Σ

C_∞v

344

NS⁺

nitrogen sulfide cation

¹Σ

C_∞v

345

Phosphorus monoxide

²Π

C_∞v

346

PO^-

phosphorus monoxide anion

³Σ

C_∞v

347

PO⁺

phosphorus monoxide cation

¹Σ

C_∞v

348

phosphorus sulfide

²Σ

C_∞v

349

PS^-

phosphorus monosulfide anion

³Σ

C_∞v

350

PS⁺

phosphorus monosulfide cation

¹Σ

C_∞v

351

AsO

Arsenic monoxide

²Π

C_∞v

352

O₂

Oxygen diatomic

³Σ_g

D_∞h

353

O₂^-

oxygen diatomic anion

²Π

D_∞h

354

O₂⁺

diatomic oxygen cation

²Π_g

D_∞h

355

Sulfur monoxide

³Σ

C_∞v

356

SO^-

sulfur monoxide anion

²Π

C_∞v

357

SO⁺

sulfur monoxide cation

²Π

C_∞v

358

S₂

Sulfur diatomic

³Σ_g

D_∞h

359

S₂^-

sulfur diatomic anion

²Π

D_∞h

360

S₂⁺

sulfur diatomic cation

²Π

D_∞h

361

SeO

Selenium monoxide

³Σ

C_∞v

362

SeO^-

selenium monoxide anion

²Π

C_∞v

363

SeO⁺

selenium monoxide cation

²Π

C_∞v

364

SeS

Selenium monosulfide

³Σ

C_∞v

365

SeS^-

selenium monosulfide anion

²Π

C_∞v

366

SeS⁺

selenium monosulfide cation

²Π

C_∞v

367

Se₂

Selenium diatomic

³Σ_g

D_∞h

368

Se₂^-

selenium diatomic anion

²Π

D_∞h

369

Se₂⁺

selenium diatomic cation

²Π_g

D_∞h

370

LiOH

lithium hydroxide

¹Σ

C_∞v

371

NaOH

sodium hydroxide

¹Σ

C_∞v

372

BeOH

beryllium monohydroxide

²A^'

C_s

373

MgOH

magnesium hydroxide

²A^'

C_s

374

CaOH

Calcium monohydroxide

²Σ⁺

C_∞v

375

HBO

Boron hydride oxide

¹Σ

C_∞v

376

HBS

hydrogen boron sulfide

¹Σ

C_∞v

377

HCO

Formyl radical

²A^'

C_s

378

HCO^-

formyl anion

¹A^'

C_s

379

HCO⁺

Formyl cation

¹Σ

C_∞v

380

HCS

Thioformyl radical

²A^'

C_s

381

HCS^-

Thioformyl anion

¹A^'

C_s

382

HCS⁺

Thioformyl cation

¹Σ

C_∞v

383

HNO

Nitrosyl hydride

¹A^'

C_s

384

HNO^-

Nitrosyl hydride anion

²A^"

C_s

385

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

386

HNS

Sulfur imide

¹A^'

C_s

387

HO₂

Hydroperoxy radical

²A^"

C_s

388

HO₂^-

Hydroperoxy anion

¹A^'

C_s

389

H₂CO

Formaldehyde

¹A₁

C_2v

390

H₂CO^-

formaldehyde anion

²A^'

C_s

391

H₂CO⁺

formaldehyde cation

²B₂

C_2v

392

H₂CS

Thioformaldehyde

¹A₁

C_2v

393

H₂O₂

Hydrogen peroxide

¹A

C₂

394

H₂S₂

Disulfane

¹A

C₂

395

CH₂OH

Hydroxymethyl radical

²A

C₁

396

CH₂OH⁺

hydroxymethyl cation

¹A^'

C_s

397

CH₃O

Methoxy radical

²A^'

C₁

398

CH₃S

thiomethoxy

²A^'

C_3v

399

NH₂OH

hydroxylamine

¹A^'

C_s

400

CH₃OH

Methyl alcohol

¹A^'

C_s

401

CH₃SH

Methanethiol

¹A^'

C_s

402

CH₃SeH

Methane selenol

¹A^'

C_s

403

H₂OH₂O

water dimer

¹A^'

C_s

404

H₂ONH₃

Water Ammonia Dimer

¹A^'

C₁

405

LiF

lithium fluoride

¹Σ

C_∞v

406

LiCl

lithium chloride

¹Σ

C_∞v

407

LiCl^-

lithium chloride anion

²Σ

C_∞v

408

LiCl⁺

lithium chloride cation

²Π

C_∞v

409

NaF

sodium fluoride

¹Σ

C_∞v

410

NaF^-

sodium fluoride anion

²Σ

C_∞v

411

NaF⁺

sodium fluoride cation

²Σ

C_∞v

412

Potassium Fluoride

¹Σ

C_∞v

413

NaCl

Sodium Chloride

¹Σ

C_∞v

414

NaCl^-

sodium chloride anion

²Σ

C_∞v

415

NaCl⁺

sodium chloride cation

²Π

C_∞v

416

KCl

Potassium Chloride

¹Σ

C_∞v

417

LiBr

Lithium Bromide

¹Σ

C_∞v

418

LiBr^-

lithium bromide anion

²Σ

C_∞v

419

LiBr⁺

lithium bromide cation

²Π

C_∞v

420

NaBr

Sodium Bromide

¹Σ

C_∞v

421

NaBr^-

sodium bromide anion

²Σ

C_∞v

422

NaBr⁺

sodium bromide cation

²Π

C_∞v

423

KBr

Potassium Bromide

¹Σ

C_∞v

424

LiF^-

lithium fluoride anion

²Σ

C_∞v

425

LiF⁺

lithium fluoride cation

²Π

C_∞v

426

BeF

Beryllium monofluoride

²Σ

C_∞v

427

BeF^-

Beryllium monofluoride anion

¹Σ

C_∞v

428

BeF⁺

Beryllium monofluoride cation

¹Σ

C_∞v

429

BeCl

beryllium monochloride

²Σ

C_∞v

430

MgF

Magnesium monofluoride

²Σ

C_∞v

431

MgF^-

magnesium fluoride anion

¹Σ

C_∞v

432

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

433

CaF

Calcium monofluoride

²Σ

C_∞v

434

MgCl

magnesium monochloride

²Σ

C_∞v

435

MgCl^-

magnesium monochloride anion

¹Σ

C_∞v

436

MgCl⁺

magnesium monochloride cation

¹Σ

C_∞v

437

CaCl

calcium monochloride

²Σ

C_∞v

438

BeCl^-

beryllium monochloride anion

¹Σ

C_∞v

439

BeCl⁺

beryllium monochloride cation

¹Σ

C_∞v

440

Boron monofluoride

¹Σ

C_∞v

441

BF^-

Boron monofluoride anion

²Π

C_∞v

442

BF⁺

Boron monofluoride cation

²Σ

C_∞v

443

AlF

Aluminum monofluoride

¹Σ⁺

C_∞v

444

AlF^-

Aluminum monofluoride anion

²Π

C_∞v

445

AlF⁺

Aluminum monofluoride cation

²Σ

C_∞v

446

BCl

boron monochloride

¹Σ

C_∞v

447

BCl^-

boron monochloride anion

²Π

C_∞v

448

BCl⁺

boron monochloride cation

²Σ

C_∞v

449

AlCl

Aluminum monochloride

¹Σ

C_∞v

450

AlCl^-

aluminum monochloride anion

²Π

C_∞v

451

AlCl⁺

aluminum monochloride cation

²Σ

C_∞v

452

Fluoromethylidyne

²Π

C_∞v

453

CF^-

carbon monofluoride anion

³Σ

C_∞v

454

CF⁺

carbon monofluoride cation

¹Σ

C_∞v

455

CCl

carbon monochloride

²Π

C_∞v

456

CCl^-

carbon monochloride anion

³Σ

C_∞v

457

CCl⁺

carbon monochloride cation

¹Σ

C_∞v

458

SiF

silicon monofluoride

²Π

C_∞v

459

SiF^-

silicon monofluoride anion

³Σ

C_∞v

460

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

461

SiCl

Clorosilylidyne

²Π

C_∞v

462

SiCl^-

silicon monochloride anion

³Σ

C_∞v

463

SiCl⁺

silicon monochloride cation

¹Σ

C_∞v

464

nitrogen fluoride

³Σ

C_∞v

465

NF^-

nitrogen monofluorine anion

²Π

C_∞v

466

NF⁺

nitrogen monofluoirde cation

²Π

C_∞v

467

NCl

nitrogen monochloride

³Σ

C_∞v

468

NCl^-

nitrogen monochloride anion

²Π

C_∞v

469

NCl⁺

nitrogen monochloride cation

²Π

C_∞v

470

phosphorus monofluoride

³Σ

C_∞v

471

PF^-

phosphorus monofluoride anion

²Π

C_∞v

472

PF⁺

phosphorus monofluoride cation

²Π

C_∞v

473

PCl

phosphorus chloride

³Σ

C_∞v

474

PCl^-

phosphorus monochloride anion

²Π

C_∞v

475

PCl⁺

phosphorus monochloride cation

²Π

C_∞v

476

AsF

Arsenic monofluoride

³Σ

C_∞v

477

Oxygen monofluoride

²Π

C_∞v

478

FO^-

flourine oxide anion

¹Σ

C_∞v

479

FO⁺

fluorine monoxide cation

³Σ

C_∞v

480

ClO

Monochlorine monoxide

²Π

C_∞v

481

ClO^-

chlorine monoxide anion

¹Σ

C_∞v

482

ClO⁺

chlorine monoxide cation

³Σ

C_∞v

483

Monosulfur monofluoride

²Π

C_∞v

484

SF^-

sulfur monofluoride anion

¹Σ

C_∞v

485

SF⁺

sulfur monofluoride cation

³Σ

C_∞v

486

SCl

sulfur monochloride

²Π

C_∞v

487

SCl^-

sulfur monochloride anion

¹Σ

C_∞v

488

SCl⁺

sulfur monochloride cation

³Σ_g

C_∞v

489

BrCl

Bromine monochloride

¹Σ

C_∞v

490

F₂

Fluorine diatomic

¹Σ_g

D_∞h

491

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

492

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

493

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

494

ClF⁺

clorine monofluoride cation

²Π

C_∞v

495

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

496

Cl₂^-

chlorine diatomic anion

²Σ_u

D_∞h

497

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

498

BrF

Bromine monofluoride

¹Σ

C_∞v

499

BrF⁺

bromine fluoride cation

²Π

C_∞v

500

BrCl^-

bromine chloride anion

²Σ

C_∞v

501

BrCl⁺

bromine chloride cation

²Π

C_∞v

502

Br₂

Bromine diatomic

¹Σ_g

D_∞h

503

Br₂^-

bromine diatomic anion

²Σ_u

D_∞h

504

Br₂⁺

bromine diatomic cation

²Π_g

D_∞h

505

HCF

Fluoromethylene

¹A^'

C_s

506

HOF

Hypofluorous acid

¹A^'

C_s

507

DOCl

Hypochlorous acid-d

¹A^'

C_s

508

HOCl

hypochlorous acid

¹A^'

C_s

509

HOBr

Hypobromous acid

¹A^'

C_s

510

CH₂F

fluoromethyl radical

²A

C_s

511

NH₂F

monofluoroamine

¹A^'

C_s

512

NH₂Cl

chloramine

¹A^'

C_s

513

CH₃F

Methyl fluoride

¹A₁

C_3v

514

CH₃Cl

Methyl chloride

¹A₁

C_3v

515

SiH₃F

monofluorosilane

¹A₁

C_3v

516

SiH₃Cl

chlorosilane

¹A₁

C₁

517

CH₃Br

methyl bromide

¹A₁

C_3v

518

C₃

carbon trimer

¹Σ_g

D_∞h

519

C₃H₃

Propargyl radical

²B₁

C_s

520

C₃H₃⁺

cyclopropenyl cation

¹A₁

D_3h

521

C₃H₃⁺

Propargyl cation

¹A₁

C_2v

522

CH₂CCH₂

allene

¹A₁

D_2d

523

CH₃CCH

propyne

¹A^'

C_3v

524

C₃H₅

Allyl radical

²A₂

C_2v

525

C₃H₆

Cyclopropane

¹A₁^'

D_3h

526

CH₂CHCH₃

Propene

¹A^'

C_s

527

C₃H₇

n-Propyl radical

²A^"

C₁

528

CH₃CHCH₃

Isopropyl radical

²A

C₂

529

C₃H₈

Propane

¹A₁

C_2v

530

SiH₂(CH₃)₂

dimethylsilane

¹A₁

C_2v

531

N₃

azide radical

²Π_g

D_∞h

532

N₃^-

azide anion

¹Σ_G

D_∞h

533

HN₃

hydrogen azide

¹A^'

C_s

534

HNCNH

diiminomethane

¹A

C₂

535

CH₂N₂

diazirine

¹A₁

C_2v

536

CH₂NN

diazomethane

¹A₁

C_2v

537

NH₂CN

cyanamide

¹A₁

C_2v

538

CH₃CN

Acetonitrile

¹A₁

C_3v

539

CH₃NC

methyl isocyanide

¹A₁

C_3v

540

NHCHNH₂

aminomethanimine

¹A

C₁

541

C₂H₅N

Aziridine

¹A^'

C₁

542

CH₂CHNH₂

aminoethene

¹A

C₁

543

CH₂NCH₃

N-methylmethanimine

¹A^'

C_s

544

CH₃CHNH

ethanimine

¹A^'

CS NH up

545

CH₃CH₂NH₂

Ethylamine

¹A^'

C_s

546

CH₃NHCH₃

Dimethylamine

¹A^'

C_s

547

CNO^-

fulminate

¹Σ

C_∞v

548

NCO

isocyanato radical

²Π

C_∞v

549

NCO^-

cyanate

¹Σ

C_∞v

550

SCN

thiocyanato radical

²Π

C_∞v

551

SCN^-

thiocyanide anion

¹Σ

C_∞v

552

BO₂

Boron dioxide

²A^'

D_∞h

553

BO₂^-

Boron dioxide anion

¹Σ_g

D_∞h

554

BO₂⁺

Boron dioxide cation

³Σ_g

D_∞h

555

N₂O

Nitrous oxide

¹Σ

C_∞v

556

N₂O^-

Nitrous oxide anion

²A^'

C_s

557

N₂O⁺

Nitrous oxide cation

²Π

C_∞v

558

CO₂

Carbon dioxide

¹Σ_g

D_∞h

559

CO₂^-

Carbon dioxide anion

²Π_u

D_∞h

560

CO₂⁺

Carbon dioxide cation

²Π_g

D_∞h

561

OCS

Carbonyl sulfide

¹Σ

C_∞v

562

OCS⁺

Carbonyl sulfide cation

²Π

C_∞v

563

SiO₂

silicon dioxide

¹Σ_g

D_∞h

564

CS₂

Carbon disulfide

¹Σ_g

D_∞h

565

CS₂⁺

Carbon disulfide cation

²Π

D_∞h

566

OCSe

Carbonyl selenide

¹Σ

C_∞v

567

NO₂

Nitrogen dioxide

²A₁

C_2v

568

NO₂^-

Nitrogen dioxide anion

¹A₁

C_2v

569

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

570

PO₂

Phosphorus dioxide

²A₁

C_2v

571

PO₂^-

Phosphorus dioxide anion

¹A₁

C_2v

572

PO₂⁺

Phosphorus dioxide cation

¹Σ_G

D_∞h

573

O₃

Ozone

¹A₁

C_s

574

O₃^-

Ozone anion

²B₁

C_2v

575

O₃⁺

Ozone cation

²A₁

C_2v

576

SO₂

Sulfur dioxide

¹A₁

C_2v

577

SO₂^-

Sulfur dioxide anion

²B₁

C_2v

578

SO₂⁺

Sulfur dioxide cation

²A₁

C_2v

579

SSO

Disulfur monoxide

¹A^'

C_s

580

S₃

Sulfur trimer

¹A₁

C_2v

581

SeO₂

Selenium dioxide

¹A₁

C_2v

582

HCCO

ketenyl radical

²Π

C_∞v

583

HCNO

fulminic acid

¹Σ

C_∞v

584

HNCO

Isocyanic acid

¹A^'

C_s

585

HOCN

cyanic acid

¹A^'

C_s

586

HCO₂^-

formate anion

¹A₁

C_2v

587

HOCO

Hydrocarboxyl radical

¹A^'

trans

588

HOCO⁺

Hydrocarboxyl cation

¹A^'

C_s

589

HNO₂

Nitrous acid

¹A^'

C_s

590

HNO₂⁺

nitrous acid cation

²A^'

C_s

591

C₂H₂O

Oxirene

¹A₁

C_2v

592

CH₂CO

Ketene

¹A₁

C_2v

593

CH₂CO⁺

Ketene cation

²B₁

C_2v

594

HCCOH

ethynol

¹A^'

C_s

595

CH₂O₂

Dioxirane

¹A₁

C_2v

596

HCOOH

Formic acid

¹A^'

C_s

597

CH₃CO

Acetyl radical

²A^'

C_s

598

CH₃CO⁺

acetyl cation

¹A₁

C_3v

599

CHONH₂

formamide

¹A^'

Planar

600

CH₃OO

methylperoxy radical

²A^"

C_s

601

CH₃OO^-

methylperoxy anion

¹A^'

C_s

602

CH₃OO⁺

methylperoxy cation

¹A^'

C_s

603

C₂H₄O

Ethylene oxide

¹A₁

C_2v

604

CH₂CHOH

ethenol

¹A^'

C_s

605

CH₃CHO

Acetaldehyde

¹A^'

C_s

606

C₂H₄S

Thiirane

¹A₁

C_2v

607

CH₃CHS

Thioacetaldehyde

¹A^'

C₁

608

CH₃OOH

Methyl peroxide

¹A

C₁

609

H₂OH₂CO

water formaldehyde dimer

¹A

C₁

610

CH₃CH₂O

Ethoxy radical

²A^'

C_s

611

CH₃CH₂OH

Ethanol

¹A^'

C_s

612

CH₃OCH₃

Dimethyl ether

¹A₁

C_2v

613

CH₃CH₂SH

ethanethiol

¹A^'

C_s

614

CH₃SCH₃

Dimethyl sulfide

¹A₁

C_2v

615

CH₃OHH₂O

methanol water dimer

¹A^'

C₁

616

H₂OCH₃OH

water methanol dimer

¹A

C₁

617

FCN

Cyanogen fluoride

¹Σ

C_∞v

618

ClCN

chlorocyanogen

¹Σ

C_∞v

619

BrCN

Cyanogen bromide

¹Σ

C_∞v

620

MgCl₂

Magnesium dichloride

¹Σ_g

C_2v

621

FNO

Nitrosyl fluoride

¹A^'

C_s

622

ClNO

Nitrosyl chloride

¹A^'

C_s

623

CF₂

Difluoromethylene

¹A₁

D_∞h

624

CF₂^-

Difluoromethylene anion

²B₁

C_2v

625

CF₂⁺

Difluoromethylene cation

²A₁

C_2v

626

CCl₂

dichloromethylene

¹A₁

C_2v

627

CCl₂^-

dichloromethylene anion

²B₁

C_2v

628

CCl₂⁺

dichloromethylene cation

²A₁

C_2v

629

SiCl₂

Dichlorosilylene

¹A₁

C_2v

630

ClOO

chloroperoxy radical

²A^"

C_s

631

ClOO⁺

chloroperoxy cation

¹A^'

C_s

632

OClO

Chlorine dioxide

²B₁

D_∞h

633

OClO^-

Chlorine dioxide anion

¹A^'

C_s

634

OClO⁺

Chlorine dioxide cation

¹A₁

C_2v

635

ClS₂

Sulfur chloride

²A^"

C_s

636

NF₂

Difluoroamino radical

²B₁

C_2v

637

NF₂⁺

Difluoroamino cation

¹A₁

C_2v

638

F₂O

Difluorine monoxide

¹A₁

C_2v

639

SF₂

sulfur difluoride

¹A₁

C_2v

640

SF₂⁺

sulfur difluoride cation

²B₁

C_2v

641

Cl₂O

Dichlorine monoxide

¹A₁

C_2v

642

SCl₂

Sulfur dichloride

¹A₁

C_2v

643

HCCF

Fluoroacetylene

¹Σ

C_∞v

644

HCCF⁺

fluoroacetylene cation

²Π

C_∞v

645

HFCO

formyl fluoride

¹A^'

C_s

646

BHF₂

Difluoroborane

¹A₁

C_2v

647

BHCl₂

Borane, dichloro-

¹A₁

C_2v

648

CH₂F₂

Methane, difluoro-

¹A₁

C_2v

649

CH₂FCl

fluorochloromethane

¹A^'

C_s

650

CH₂Cl₂

Methylene chloride

¹A₁

C_2v

651

CH₂Br₂

dibromomethane

¹A₁

C_2v

652

SiH₂Cl₂

dichlorosilane

¹A₁

C_2v

653

CH₂CHF

Ethene, fluoro-

¹A^'

C_s

654

C₂H₃Cl

Ethene, chloro-

¹A^'

C_s

655

C₂H₃Br

vinyl bromide

¹A^'

C_s

656

C₂H₅F

fluoroethane

¹A^'

C_s

657

CH₃CH₂Cl

Ethyl chloride

¹A^'

C_s

658

C₂H₅Br

Ethyl bromide

¹A^'

C_s

659

C₄

Carbon tetramer

³Σ_g

D_∞h

660

C₄⁺

Carbon tetramer cation

²Π_g

D_∞h

661

C₄H₂

Diacetylene

¹Σ_g

D_∞h

662

C₄H₂⁺

diacetlyene cation

663

C₂H₃CCH

1-Buten-3-yne

¹A^'

C₁

664

H₂CCCCH₂

Butatriene

¹A_g

D_2h

665

C₄H₆

1-Methylcyclopropene

¹A

C₁

666

C₄H₆

Cyclobutene

¹A₁

C_2v

667

C₄H₆

Methylenecyclopropane

¹A₁

C_2v

668

CH₂CCHCH₃

1,2-Butadiene

¹A^'

C₁

669

CH₂CHCHCH₂

1,3-Butadiene

¹A_g

C_2h

670

CH₃CCCH₃

2-Butyne

¹A₁^'

D_3h

671

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

¹A₁

C_2v

672

CH₂CHCH₂CH₃

1-Butene

¹A

C₁

673

CH₃CHCHCH₃

2-Butene, (E)-

¹A_g

C_2h

674

CH₃CHCHCH₃

2-Butene, (Z)-

¹A₁

C_2v

675

C(CH₃)₃

Tert-butyl radical

²A^"

C_3v

676

CH₂CH(CH₃)₂

Isobutyl radical

²A^'

C₁

677

CH₃CHCH₂CH₃

2-Butyl radical

¹A

C₁

678

CH₃CH(CH₃)CH₃

Isobutane

¹A₁

C_3v

679

CH₃CH₂CH₂CH₃

Butane

¹A

Gauche

680

C₂N₂

Cyanogen

¹Σ_g

D_∞h

681

C₂N₂⁺

Cyanogen cation

²Π_g

D_∞h

682

P₄

Phosphorus tetramer

¹A₁

T_d

683

HCCCN

Cyanoacetylene

¹Σ

C_∞v

684

C₃H₃N

acrylonitrile

¹A^'

C_s

685

C₃H₃N⁺

acrylonitrile cation

²A^"

C_s

686

C₃H₇N

Cyclopropylamine

¹A^'

C₁

687

C₄H₈

cyclobutane

¹A₁

D_2d

688

C₂H₈N₂

Ethylenediamine

¹A_g

C_2h

689

CH₃NHNHCH₃

dimethyl hydrazine

¹A

C₂

690

CH₃CH(NH₂)CH₃

2-Propanamine

¹A^'

C_s

691

N(CH₃)₃

Trimethylamine

¹A₁

C_3v

692

As(CH₃)₃

trimethyl arsine

¹A₁

C_3v

693

B₂O₂

Diboron dioxide

¹Σ_g

D_∞h

694

ONNO

NO dimer

¹A₁

cis C2V

695

CO₃^--

carbonate

¹A₁^'

D_3h

696

NO₃

Nitrogen trioxide

²B₂

one long, two short

697

SO₃

Sulfur trioxide

¹A₁^'

D_3h

698

SO₃^-

Sulfur trioxide anion

²A₂^"

planar

699

SO₃⁺

Sulfur trioxide cation

²A₂^'

D_3h

700

HCO₃^-

bicarbonate anion

¹A^'

C_s

701

HNO₃

Nitric acid

¹A^'

C_s

702

C₂H₂O₂

Ethanedial

¹A_g

C_2h

703

CH₃COO^-

acetate anion

¹A^'

eclipsed

704

CH₃NO₂

Methane, nitro-

¹A^'

C_s

705

CH₃ONO

Methyl nitrite

¹A^'

C₁

706

H₃BO₃

Boric acid

¹A^'

C_3h

707

C₃H₄O

2-Propyn-1-ol

¹A^'

C_s

708

C₃H₄O

allenol

¹A^'

C_s

709

C₃H₄O

Cyclopropanone

¹A₁

C_2v

710

C₃H₄O

Methylketene

¹A^'

C_s

711

CH₂CHCHO

Acrolein

¹A^'

C_s

712

NH₂CONH₂

Urea

¹A

C₂

713

NH₂CSNH₂

Thiourea

¹A

C₂

714

C₂H₄O₂

1,3-dioxetane

¹A_g

D_2h

715

CH₃COOH

Acetic acid

¹A^'

C_s

716

CH₃OCHO

methyl formate

¹A^'

C_s

717

CHOCH₂OH

hydroxy acetaldehyde

¹A^'

CS H in

718

H₂OHCOOH

Water formic acid dimer 1

¹A

C₁

719

H₂OHCOOH

Water formic acid dimer 2

¹A

C₁

720

HCOOHH₂O

Formic acid water dimer

¹A

C₁

721

CH₃CHNOH

Acetaldoxime

¹A^'

CS trans

722

CH₃CONH₂

Acetamide

¹A^'

C₁

723

C₃H₆O

Propylene oxide

¹A

C₁

724

CH₃CH₂CHO

Propanal

¹A^'

C_s

725

CH₃COCH₃

Acetone

¹A₁

C_2v

726

C₃H₆S

Thietane

¹A^'

C_s

727

C₃H₆S

Thiirane, methyl-

¹A

C₁

728

C₂H₆O₂

1,2-Ethanediol

¹A_g

C_2h

729

CH₃OOCH₃

dimethylperoxide

¹A_g

C_2h

730

CH₃SOCH₃

Dimethyl sulfoxide

¹A^'

C_s

731

CH₂SHCH₂SH

1,2-Ethanedithiol

¹A_g

C_2h

732

CH₃SSCH₃

Disulfide, dimethyl

¹A

C₂

733

C₃H₇OH

1-Propanol

¹A^'

C_s

734

CH₃CHOHCH₃

Isopropyl alcohol

¹A

C₁

735

CH₃OC₂H₅

Ethane, methoxy-

¹A^'

C_s

736

C₃H₇SH

1-Propanethiol

¹A^'

C_s

737

CH₃CHSHCH₃

2-Propanethiol

¹A^'

C_s

738

CH₃SCH₂CH₃

Ethane, (methylthio)-

¹A^'

C_s

739

H₂OCH₃OCH₃

water dimethylether dimer

¹A

C₁

740

C₂F₂

difluoroacetylene

¹Σ_g

D_∞h

741

C₂Cl₂

dichloroacetylene

¹Σ_g

C_2h

742

C₂Cl₂⁺

dichloroacetylene cation

²Π_U

D_∞h

743

ClNO₂

Nitryl chloride

¹A₁

C_2v

744

N₂F₂

(Z)-Difluorodiazene

¹A₁

C_2v

745

N₂F₂

Dinitrogen difluoride, (E)-

¹A_g

C_2h

746

CF₂O

Carbonic difluoride

¹A₁

C_2v

747

CCl₂O

Phosgene

¹A₁

C_2v

748

BF₃

Borane, trifluoro-

¹A^'

D_3h

749

BF₃^-

Borane, trifluoro- anion

²A₁

D_3h

750

BF₃⁺

boron trifluoride cation

²A₂^'

D_3h

751

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

752

AlF₂Cl

Aluminum chloride difluoride

¹A₁

C_2v

753

AlFCl₂

Aluminum dichloride fluoride

¹A₁

C_2v

754

BCl₃

Borane, trichloro-

¹A₁^'

D_3h

755

AlCl₃

Aluminum trichloride

¹A₁^'

D_3h

756

ClO₃^-

chlorate anion

¹A₁

C_3v

757

CF₃

Trifluoromethyl radical

²A₁

C_3v

758

CF₃^-

Trifluoromethyl anion

¹A₁

C_3v

759

CF₃⁺

Trifluoromethyl cation

¹A₁^'

D_3h

760

CCl₃

Trichloromethyl radical

²A₁

C₃

761

CCl₃^-

Trichloromethyl anion

¹A₁

C_3v

762

CCl₃⁺

Trichloromethyl cation

¹A₁^'

D_3h

763

SiCl₃

trichlorosilyl radical

²A₁

C_3v

764

SiCl₃⁺

trichlorosilyl cation

¹A₁^'

D_3h

765

FSSF

Difluorodisulfane

¹A

C₂

766

S₂F₂

Thio-thionyl fluoride

¹A^'

C_s

767

SOCl₂

thionyl chloride

¹A^'

C_s

768

NF₃

Nitrogen trifluoride

¹A₁

C_3v

769

NF₃^-

Nitrogen trifluoride anion

²A₁

C_3v

770

NF₃⁺

Nitrogen trifluoride cation

²A₁

C_3v

771

PF₃

Phosphorus trifluoride

¹A₁

C_3v

772

NCl₃

nitrogen trichloride

¹A₁

C_3v

773

AsF₃

Arsenic trifluoride

¹A₁

C_3v

774

PCl₃

Phosphorus trichloride

¹A₁

C_3v

775

ClSSCl

Disulfur dichloride

¹A

C₂

776

CHF₃

Methane, trifluoro-

¹A₁

C_3v

777

CHF₂Cl

difluorochloromethane

¹A^'

C_s

778

CHFCl₂

fluorodichloromethane

¹A^'

C_s

779

CHCl₃

Chloroform

¹A₁

C_3v

780

SiHCl₃

Trichlorosilane

¹A₁

C_3v

781

CHBr₃

bromoform

¹A₁

C_3v

782

C₂H₂F₂

Ethene, 1,2-difluoro-, (E)-

¹A_g

C_2h

783

C₂H₂F₂

Ethene, 1,2-difluoro-, (Z)-

¹A₁

C_2v

784

CH₂CF₂

Ethene, 1,1-difluoro-

¹A₁

C_2v

785

CH₂CCl₂

Ethene, 1,1-dichloro-

¹A₁

C_2v

786

CHClCHCl

Ethene, 1,2-dichloro-, (E)-

¹A_g

C_2h

787

CHClCHCl

Ethene, 1,2-dichloro-, (Z)-

¹A₁

C_2v

788

CH₃COF

Acetyl fluoride

¹A^'

NULL

789

CH₃COCl

Acetyl Chloride

¹A^'

C_s

790

C₂H₄F₂

1,2-difluoroethane

¹A

C2 gauche

791

CH₃CHF₂

Ethane, 1,1-difluoro-

¹A^'

C_s

792

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

¹A

C₁

793

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

¹A_g

C_2h

794

CH₃CHCl₂

Ethane, 1,1-dichloro-

¹A^'

C_s

795

C₃H₅Cl

1-Propene, 3-chloro-

¹A

C₁

796

C₃H₅Cl

1-chloro-1-propene(E)

¹A^'

C_s

797

C₃H₅Cl

1-chloro-1-propene(Z)

¹A^'

C_s

798

CH₂ClCH₂CH₃

Propane, 1-chloro-

¹A

gauche

799

CH₃CHClCH₃

Propane, 2-chloro-

¹A^'

C_s

800

C₅H₅^-

cylopentadienyl anion

¹A₁^'

D_5h

801

C₅H₆

1,3-Cyclopentadiene

¹A₁

C_2v

802

C₅H₆

1-Buten-3-yne, 2-methyl-

¹A^'

C_s

803

C₅H₆

3-Penten-1-yne, (E)-

¹A^'

C_s

804

C₅H₆

3-Penten-1-yne, (Z)-

¹A^'

C_s

805

C₅H₆

Bicyclo[2.1.0]pent-2-ene

¹A^'

C_s

806

C₅H₆

Cyclopropylacetylene

¹A^'

C₁

807

C₅H₈

1,2-Butadiene, 3-methyl-

¹A₁

C_2v

808

C₅H₈

1,2-Pentadiene

¹A^'

C₁

809

C₅H₈

1,3-Butadiene, 2-methyl-

¹A^'

C_s

810

C₅H₈

1,3-Pentadiene, (E)-

¹A^'

C₁

811

C₅H₈

1,3-Pentadiene, (Z)-

¹A^'

C_s

812

C₅H₈

1,4-Pentadiene

¹A

C₂

813

C₅H₈

2,3-Pentadiene

¹A

C₁

814

C₅H₈

Cyclobutane, methylene-

¹A^'

C_s

815

C₅H₈

Cyclopentene

¹A^'

C_s

816

C₅H₁₀

1-Butene, 2-methyl-

¹A

C₁

817

C₅H₁₀

2-Butene, 2-methyl-

¹A^'

C_s

818

C₅H₁₀

2-Pentene, (E)-

¹A^'

C_s

819

C₅H₁₀

2-Pentene, (Z)-

¹A

C₁

820

C₅H₁₀

Cyclopentane

¹A

C₁

821

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

¹A₁

C₁

822

CH₂CHCH₂CH₂CH₃

1-pentene

¹A

C₁

823

C₅H₁₁

2-Methylbut-2-yl radical

¹A

C₁

824

C₅H₁₂

Butane, 2-methyl-

¹A

C₁

825

C₅H₁₂

Pentane

¹A₁

C_2v

826

C₅H₁₂

Propane, 2,2-dimethyl-

¹A₁

T_d

827

Si(CH₃)₄

tetramethylsilane

¹A₁

T_d

828

N₂O₃

Dinitrogen trioxide

¹A^'

C_s

829

C₃H₂N₂

Malononitrile

¹A₁

C_s

830

C₃H₄N₂

1H-Imidazole

¹A^'

C_s

831

C₃H₄N₂

1H-Pyrazole

¹A^'

C_s

832

C₃H₄N₂

4H-Imidazole

¹A^'

C_s

833

C₄H₅N

(E)-2-Butenenitrile

¹A^'

C_s

834

C₄H₅N

(Z)-2-Butenenitrile

¹A^'

C_s

835

C₄H₅N

Cyclopropanecarbonitrile

¹A^'

C_s

836

C₄H₅N

Pyrrole

¹A₁

C_2v

837

C₃H₆N₂

3-Aminopropionitrile

¹A^'

C_s

838

C₅H₈

Bicyclo[2.1.0]pentane

¹A^'

C_s

839

C₅H₈

Spiropentane

¹A₁

D_2d

840

C₄H₉N

Cyclobutylamine

¹A^'

C_s

841

C₄H₉N

Pyrrolidine

¹A^'

C_s

842

C₃H₁₀N₂

1,2-Diaminopropane

¹A

C₁

843

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

¹A

C₁

844

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

¹A

C₁

845

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

¹A^'

C_s

846

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

¹A

C₁

847

C₃O₂

Carbon suboxide

¹Σ_G

D_∞h

848

C₃O₂⁺

Carbon suboxide cation

²Π_U

D_∞h

849

CaCO₃

Calcium Carbonate

¹A₁

C_2v

850

PO₄^---

phosphate

¹A₁

T_d

851

SO₄^--

sulfate

¹A₁

T_d

852

H₂SO₄

Sulfuric acid

¹A

C₁

853

C₃H₃NO

Isoxazole

¹A^'

C_s

854

CH₃NO₃

Methyl nitrate

¹A^'

C_s

855

C₄H₄O

Furan

¹A₁

C₂

856

C₄H₄S

Thiophene

¹A₁

C_2v

857

C₃H₄O₂

β–Propiolactone

¹A^'

C_s

858

C₃H₄O₂

2-Propenoic acid

¹A^'

C_s

859

C₃H₄O₂

propanedial

¹A

C₁

860

C₃H₄O₂

propenalol

¹A^'

C_s

861

CH₂CHCONH₂

Acrylamide

¹A

C_s

862

CH₃OCH₂CN

Methoxyacetonitrile

¹A^'

C_s

863

CH₃OCH₂CN

Methoxyacetonitrile

¹A

C₁

864

CH₅N₃S

Hydrazinecarbothioamide

¹A

C₁

865

H₂NCH₂COOH

Glycine

¹A^'

C_s

866

C₄H₆O

cis-2-butenal

¹A

C_s

867

C₄H₆O

Cyclobutanone

¹A₁

C_2v

868

C₄H₆O

Furan, 2,3-dihydro-

¹A

C₁

869

C₄H₆O

Furan, 2,5-dihydro-

¹A₁

C_s

870

CH₂CHOCHCH₂

Vinyl ether

¹A₁

C_2v

871

CHOCHCHCH₃

2-Butenal

¹A^'

C_s

872

C₄H₆S

Thiophene, 2,3-dihydro-

¹A

C₁

873

C₄H₆S

Thiophene, 2,5-dihydro-

¹A₁

C_2v

874

CH₂CHSCHCH₂

Divinyl sulfide

¹A

C_2v

875

C₂H₆N₂O

Urea, methyl-

¹A

C₁

876

C₃H₆O₂

1,3-Dioxolane

¹A

C₂

877

CH₃COOCH₃

methyl acetate

¹A^'

C_s

878

C₂H₆O₂S

Dimethyl sulfone

¹A₁

C_2v

879

CH₃SSSCH₃

dimethyl trisulfide

¹A

C₂

880

C₃H₇NO

dimethylformamide

¹A^'

CS methyls geared

881

C₃H₇NO

Propanamide

¹A^'

C₁

882

C₂H₃OC₂H₅

Ethene, ethoxy-

¹A

C₁

883

C₄H₈O

Cyclobutanol

¹A^'

C₁

884

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

¹A

C₁

885

CH₃COCH₂CH₃

2-Butanone

¹A^'

C_s

886

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

¹A^'

C_s

887

CHOCH₂CH₂CH₃

Butanal

¹A^'

C_s

888

C₄H₈S

Thiophene, tetrahydro-

¹A

C₁

889

C₃H₈O₂

1,3-Propanediol

¹A₁

C₁

890

C₃H₈O₂

Hydroperoxide, 1-methylethyl

¹A

C₁

891

C₃H₈O₂

Methane, dimethoxy-

¹A₁

C_2v

892

C₃H₈O₂

Propylene glycol

¹A

C₁

893

C₃H₈S₂

1,3-Propanedithiol

¹A₁

C₁

894

C₄H₁₀O

1-Butanol

¹A^'

C_s

895

C₄H₁₀O

1-Propanol, 2-methyl-

¹A

C₁

896

C₄H₁₀O

2-Butanol, (.+/-.)-

¹A

C₁

897

C₄H₁₀O

Ethanol, 1,1-dimethyl-

¹A^'

C_s

898

C₄H₁₀O

Ethoxy ethane

¹A₁

C_2v

899

C₄H₁₀O

Propane, 2-methoxy-

¹A^'

C_s

900

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

¹A^'

C_s

901

C₂H₅SC₂H₅

Diethyl sulfide

¹A₁

C_2v

902

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

¹A

C₁

903

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

¹A

C₁

904

CH₃CH(SH)CH₂CH₃

2-Butanethiol

¹A

C₁

905

FNO₃

Fluorine nitrate

¹A^'

C_s

906

ClO₄^-

perchlorate anion

¹A₁

T_d

907

BF₄^-

tetrafluoroboron anion

¹A₁

T_d

908

ClFO₃

Perchloryl fluoride

¹A₁

C_s

909

SO₂Cl₂

Sulfuryl chloride

¹A₁

C_2v

910

F₃NO

Nitrogen trifluoride oxide

¹A₁

C_3v

911

F₃PO

Phosphoryl fluoride

¹A₁

C_3v

912

Cl₃PO

Phosphoryl chloride

¹A₁

C_3v

913

CF₄

Carbon tetrafluoride

¹A₁

T_d

914

CF₃Cl

Methane, chlorotrifluoro-

¹A₁

C_3v

915

SiF₄

Silicon tetrafluoride

¹A₁

T_d

916

CF₂Cl₂

difluorodichloromethane

¹A₁

C_2v

917

CFCl₃

Trichloromonofluoromethane

¹A₁

C_3v

918

CF₃Br

Bromotrifluoromethane

¹A₁

C_3v

919

CCl₄

Carbon tetrachloride

¹A₁

T_d

920

SiCl₄

Silane, tetrachloro-

¹A₁

T_d

921

CBr₄

Carbon tetrabromide

¹A₁

T_d

922

SF₄

Sulfur tetrafluoride

¹A₁

C_2v

923

C₂HF₃

Trifluoroethylene

¹A^'

C_s

924

C₂HF₃⁺

Trifluoroethylene cation

²A^"

C_s

925

CHClCCl₂

Trichloroethylene

¹A^'

C_s

926

HClO₄

perchloric acid

¹A

C_s

927

HSO₃F

Fluorosulfonic acid

¹A

C₁

928

CH₃CF₃

Ethane, 1,1,1-trifluoro-

¹A₁

C_3v

929

CH₂ClCHCl₂

1,1,2-trichloroethane

¹A

C₁

930

CH₃CCl₃

Ethane, 1,1,1-trichloro-

¹A₁

C_3v

931

C₃H₅ClO

Oxirane, (chloromethyl)-

¹A

C₁

932

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

¹A

C₁

933

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

¹A₁

C_2v

934

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

¹A^'

C_s

935

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

¹A

C₁

936

CH₂CHCHClCH₃

1-Butene, 3-chloro-

¹A

C₁

937

CH₃CClCHCH₃

2-Butene, 2-chloro-, (E)-

¹A^'

C_s

938

CH₃CClCHCH₃

2-Butene, 2-chloro-, (Z)-

¹A^'

C_s

939

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

¹A

C₁

940

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

¹A^'

C_s

941

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

¹A^'

C_s

942

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

¹A₁

C_3v

943

CH₃CHClCH₂CH₃

Butane, 2-chloro-

¹A

C₁

944

C₆H₄

(E)-Hexa-1,5-diyne-3-ene

¹A_g

C_s

945

C₆H₄

(Z)-Hexa-1,5-diyne-3-ene

¹A₁

C_2v

946

C₆H₄

Benzyne

¹A₁

C_2v

947

C₆H₆

2,4-Hexadiyne

¹A₁^'

D_3h

948

C₆H₆

Benzene

¹A_1g

D_6h

949

C₆H₈

(E)-hexa-1,3,5-triene

¹A_g

C_s

950

C₆H₈

(E)-hexa-2,3,4-triene

¹A^'

C_2h

951

C₆H₈

(Z)-hexa-1,3,5-triene

¹A₁

C_2v

952

C₆H₈

(Z)-hexa-2,3,4-triene

¹A₁

C_2v

953

C₆H₈

1,4-Cyclohexadiene

¹A_g

C_2v

954

C₆H₈

3-Methylenecyclopentene

¹A

C₁

955

C₆H₈

Bicyclo[2.1.1]hex-2-ene

¹A₁

C_2v

956

C₆H₈

Bicyclo[2.2.0]hex-1(4)-ene

¹A_g

D_2h

957

C₆H₈

Bicyclo[3.1.0]hex-2-ene

¹A

C₁

958

C₆H₁₀

1,3-Hexadiene, (E)-

¹A^'

C_s

959

C₆H₁₀

1,3-Hexadiene, (Z)-

¹A^'

C_s

960

C₆H₁₀

1,4-Hexadiene, (E)-

¹A

C₁

961

C₆H₁₀

1,4-Hexadiene, (Z)-

¹A

C₁

962

C₆H₁₀

1-Butyne, 3,3-dimethyl-

¹A₁

C_3v

963

C₆H₁₀

1-Hexyne

¹A^'

C_s

964

C₆H₁₀

2,4-Hexadiene, (E,E)-

¹A_g

C_2h

965

C₆H₁₀

2,4-Hexadiene, (E,Z)-

¹A^'

C_s

966

C₆H₁₀

2,4-Hexadiene, (Z,Z)-

¹A^'

C_s

967

C₆H₁₀

2-Hexyne

¹A^'

C₁

968

C₆H₁₀

3-Hexyne

¹A₁

C_2v

969

C₆H₁₀

cyclohexene

¹A

C₂

970

C₆H₁₀

Cyclopentene, 1-methyl-

¹A

C₁

971

C₆H₁₀

Cyclopentene, 3-methyl-

¹A

C₁

972

C₆H₁₀

Cyclopentene, 4-methyl-

¹A

C₁

973

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

¹A^'

C_s

974

C₆H₁₂

(E)-3-methylpent-2-ene

¹A

C₁

975

C₆H₁₂

(Z)-3-methylpent-2-ene

¹A

C₁

976

C₆H₁₂

3-methylenepentane

¹A

C₁

977

C₆H₁₂

Cyclohexane

¹A

twist boat

978

C₆H₁₂

Cyclopentane, methyl-

¹A

C₁

979

C₆H₁₂

Ethylcyclobutane

¹A

C₁

980

C₆H₁₂

hex-1-ene

¹A^'

C_s

981

C₆H₁₄

Butane, 2,2-dimethyl-

¹A^'

C₁

982

C₆H₁₄

Butane, 2,3-dimethyl-

¹A_g

C_2h

983

C₆H₁₄

Hexane

¹A_g

C_2h

984

C₆H₁₄

Pentane, 2-methyl-

¹A

C₁

985

C₆H₁₄

Pentane, 3-methyl-

¹A^'

C_s

986

C₄N₂

2-Butynedinitrile

¹Σ_g

D_∞h

987

C₂H₂N₄

sym-tetrazine

¹A_g

D_2h

988

C₃H₃N₃

1,3,5-Triazine

¹A₁^'

D_3h

989

CH₃N₅

5-Aminotetrazole

¹A

C₁

990

C₄H₄N₂

1,3-Diazine

¹A₁

C_2v

991

C₄H₄N₂

Pyrazine

¹A_g

D_2h

992

C₄H₄N₂

Pyridazine

¹A₁

C_2v

993

C₄H₄N₂

Succinonitrile

¹A_g

C_2h

994

C₂H₄N₄

1H-Tetrazole, 1-methyl-

¹A^'

C_s

995

C₂H₄N₄

1H-Tetrazole, 5-methyl-

¹A^'

C₁

996

C₂H₄N₄

2H-Tetrazole, 2-methyl-

¹A

C₁

997

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

¹A^'

C_s

998

C₅H₅N

Pyridine

¹A₁

C_2v

999

B₃N₃H₆

borazine

¹A₁^'

D_3h

1000

C₆H₆

Fulvene

¹A₁

C_2v

1001

C₄H₆N₂

1H-Imidazole, 2-methyl-

¹A^'

C_s

1002

C₅H₇N

(E)-2-Pentenenitrile

¹A^'

C_s

1003

C₅H₇N

(E)-3-Pentenenitrile

¹A

C₁

1004

C₅H₇N

(Z)-2-Pentenenitrile

¹A

C₁

1005

C₅H₇N

1H-Pyrrole, 1-methyl-

¹A

C₁

1006

C₅H₇N

Cyclobutanecarbonitrile

¹A^'

C_s

1007

C₅H₉N

1,2,3,6-Tetrahydropyridine

¹A

C₁

1008

C₅H₉N

Butanenitrile, 2-methyl-

¹A

C₁

1009

C₅H₉N

Pentanenitrile

¹A^'

C_s

1010

C₅H₉N

Propanenitrile, 2,2-dimethyl-

¹A₁

C₁

1011

C₆H₁₀

Bicyclo[3.1.0]hexane

¹A^'

C_s

1012

C₅H₁₁N

Cyclopentanamine

¹A^'

C_s

1013

C₅H₁₁N

Piperidine

¹A^'

NH axial

1014

C₄H₁₂N₂

1,2-Butanediamine

¹A

C₁

1015

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

¹A^'

C₁

1016

C₂O₄^--

oxalate anion

¹A₁

D_2d

1017

N₂O₄

Dinitrogen tetroxide

¹A_g

D_2d

1018

C₂H₃NO₃

Oxamic acid

¹A^'

H in

1019

C₄H₄O₂

2-Oxetanone, 4-methylene-

¹A

C₁

1020

C₂H₄N₂O₂

Oxalamide

¹A_g

C_2h

1021

C₃H₄O₂S

2H-Thiete-1,1-dioxide

¹A^'

C₁

1022

C₃H₄S₃

1,3-Dithiolane-2-thione

¹A

C₁

1023

C₄H₅NO

3-Methylisoxazole

¹A

C₁

1024

C₄H₅NO

Isoxazole, 5-methyl-

¹A

C₁

1025

C₄H₅NS

4-Methylthiazole

¹A

C₁

1026

C₅H₆S

Thiophene, 2-methyl-

¹A^'

C_s

1027

C₅H₆S

Thiophene, 3-methyl-

¹A^'

C_s

1028

C₄H₆O₂

γ–Butyrolactone

¹A

C₁

1029

C₄H₆O₂

2,3-Butanedione

¹A_g

C_i

1030

C₄H₆O₂

2-Propenoic acid, methyl ester

¹A

C₁

1031

C₄H₆OS

2,3-dihydrothiophene-2-ol

¹A

C₁

1032

C₄H₆OS

2,5-dihydrothiophene-3-ol

¹A

C₁

1033

C₄H₆OS

4,5-dihydrothiophene-2-ol

¹A

C₁

1034

C₄H₆OS

4,5-dihydrothiophene-3-ol

¹A

C₁

1035

C₄H₆OS

Dihydro-2-(3H)-thiophenone

¹A

C₁

1036

C₄H₆OS

Dihydro-3-(2H)-thiophenone

¹A

C₁

1037

C₄H₆OS

Vinyl sulfoxide

¹A^'

C_s

1038

CH₆N₄S

Carbonothioic dihydrazide

¹A

C₂

1039

C₂H₆N₂O₂

(E)-Azodioxymethane

¹A_g

C_2h

1040

C₂H₆N₂O₂

Dimethylnitroamine

¹A

C₁

1041

C₃H₆O₃

1,3,5-Trioxane

¹A₁

C₁

1042

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

¹A₁

C₁

1043

C₂H₆O₃S

Sulfurous acid, dimethyl ester

¹A^'

C₁

1044

C₄H₇NO

2-Pyrrolidinone

¹A

C₁

1045

C₄H₇NO

Ethoxyacetonitrile

¹A^'

C_s

1046

C₄H₇NO

Methacrylamide

¹A

C₁

1047

C₄H₇NO

Oxazole, 4,5-dihydro-2-methyl-

¹A^'

C₁

1048

HCONH₂CN₂H₄

formamide aminomethanimine dimer

¹A

C₁

1049

C₃H₇ONO

Propyl nitrite

¹A^'

C_s

1050

CH₃CH(CH₃)ONO

Isopropyl nitrite

¹A

C₁

1051

CH₃CH(NH₂)COOH

Alanine

¹A

C₁

1052

CH₃NHCH₂COOH

Sarcosine

¹A

C₁

1053

NH₂CH₂CH₂COOH

β–alanine

¹A

C₁

1054

NH₂COOC₂H₅

Urethane

¹A

C₁

1055

C₅H₈O

2H-Pyran, 3,4-dihydro-

¹A

C₁

1056

C₅H₈O

Furan, 2,3-dihydro-5-methyl-

¹A

C₁

1057

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

¹A

C₁

1058

NH₂CONHC₂H₅

Urea, ethyl-

¹A

C₁

1059

C₄H₈O₂

1,3-Dioxane

¹A^'

C_s

1060

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

¹A

C₁

1061

C₄H₈O₂

1,4-Dioxane

¹A_g

C_2h

1062

C₄H₈O₂

Ethene, 1,1-dimethoxy-

¹A₁

C_2v

1063

C₄H₈OS

s-Ethyl thioacetate

¹A

C₁

1064

C₃H₈O₃

1,2,3-Propanetriol

¹A

C₁

1065

C₃H₈O₂S

(Methylsulfonyl)ethane

¹A

C₁

1066

C₄H₉NO

Butanamide

¹A

C₁

1067

C₄H₉NO

Propanamide, 2-methyl-

¹A

C₁

1068

C₅H₁₀O

2-Butanone, 3-methyl-

¹A

C₁

1069

C₅H₁₀O

2H-Pyran, tetrahydro-

¹A^'

C₁

1070

C₅H₁₀O

2-Pentanone

¹A^'

C_s

1071

C₅H₁₀O

3-Pentanone

¹A₁

C_2v

1072

C₅H₁₀O

Cyclopentanol

¹A

C₁

1073

C₅H₁₀O

Oxetane, 3,3-dimethyl-

¹A^'

C_s

1074

C₅H₁₀O

Pentanal

¹A^'

C₁

1075

C₅H₁₀S

2H-Thiopyran, tetrahydro-

¹A^'

C_s

1076

C₅H₁₀S

3-Ethylthio-1-propene

¹A^'

C₁

1077

C₅H₁₀S

Cyclopentanethiol

¹A

C₁

1078

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

¹A

C₁

1079

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

¹A

C₁

1080

C₄H₁₀O₂

1,1-Dimethoxyethane

¹A^'

C_s

1081

C₄H₁₀O₂

1,3-Butanediol

¹A

C₁

1082

C₄H₁₀O₂

1,4-Butanediol

¹A_g

C_2h

1083

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

¹A_g

C_2h

1084

C₄H₁₀OS

Diethyl sulfoxide

¹A

C₁

1085

C₄H₁₀S₂

1,4-Butanedithiol

¹A_g

C_2h

1086

C₄H₁₁NO

Diethylhydroxylamine

¹A^'

C_s

1087

C₅H₁₂O

1-Butanol, 2-methyl-

¹A

C₁

1088

C₅H₁₂O

1-Butanol, 3-methyl-

¹A^'

C_s

1089

C₅H₁₂O

1-Pentanol

¹A^'

C_s

1090

C₅H₁₂O

2-Butanol, 3-methyl-

¹A

C₁

1091

C₅H₁₂O

2-Pentanol

¹A

C₁

1092

C₅H₁₂O

3-Pentanol

¹A

C₁

1093

C₅H₁₂O

Butane, 1-methoxy-

¹A^'

C_s

1094

C₅H₁₂O

Propane, 1-ethoxy-

¹A^'

C_s

1095

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

¹A^'

C₁

1096

C₅H₁₂S

1-Butanethiol, 2-methyl-

¹A

C₁

1097

C₅H₁₂S

1-Butanethiol, 3-methyl-

¹A^'

C₁

1098

C₅H₁₂S

1-Pentanethiol

¹A^'

C₁

1099

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

¹A^'

C₁

1100

C₅H₁₂S

2-Butanethiol, 3-methyl-

¹A

C₁

1101

C₅H₁₂S

Butane, 1-(methylthio)-

¹A^'

C_s

1102

C₅H₁₂S

Ethyl propyl sulfide

¹A^'

C_s

1103

C₅H₁₂S

Propane, 2-(ethylthio)-

¹A^'

C₁

1104

C₅H₁₂S

Propane, 2-methyl-2-(methylthio)-

¹A^'

C₁

1105

CF₃CN

Acetonitrile, trifluoro-

¹A₁

C_3v

1106

B₂F₄

Diboron tetrafluoride

¹A_G

D_2h

1107

B₂Cl₄

Diboron tetrachloride

¹A₁

D₂

1108

C₂F₄

Tetrafluoroethylene

¹A_g

D_2h

1109

C₂Cl₄

Tetrachloroethylene

¹A_g

D_2h

1110

CF₃OF

Trifluoromethylhypofluorite

¹A^'

C_s

1111

PF₅

Phosphorus pentafluoride

¹A₁^'

D_3h

1112

AsF₅

Arsenic pentafluoride

¹A₁^'

D_3h

1113

PCl₅

Phosphorus pentachloride

¹A₁^'

C_4v

1114

BrF₅

bromine pentafluoride

¹A₁

C_4v

1115

ClF₅

chlorinepentafluoride

¹A₁

C_4v

1116

CF₃CH₂F

1,1,1,2-tetrafluoroethane

¹A^'

C_s

1117

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

¹A

C₁

1118

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

¹A^'

C_s

1119

C₄H₈Cl₂

1,4-Dichlorobutane

¹A_g

C_2h

1120

C₄H₈Cl₂

Butane, 1,2-dichloro-

¹A

C₁

1121

C₄H₈Cl₂

Butane, 1,3-dichloro-

¹A

C₁

1122

C₄H₈Cl₂

Butane, 2,3-dichloro-, (r*,s*)-

¹A_g

C_i

1123

C₄H₉ClO

1-Chloro-2-ethoxyethane

¹A^'

C_s

1124

C₅H₁₁Cl

Pentane, 1-chloro-

¹A^'

C_s

1125

C₆H₅CH₂

benzyl radical

²B₁

C_s

1126

C₇H₇⁺

cycloheptatrienyl cation

¹A₁^'

D_7h

1127

C₆H₅CH₃

toluene

¹A^'

C_s

1128

C₇H₈

Norbornadiene

¹A₁

C_2v

1129

C₇H₁₂

Norbornane

¹A₁

C_2v

1130

C₇H₁₆

2-methylhexane

¹A

C₁

1131

C₇H₁₆

3-methylhexane

1132

C₇H₁₆

heptane

¹A₁

C_2v

1133

C₆H₅NH₂

aniline

¹A^'

C_s

1134

N₂O₅

Dinitrogen pentoxide

C₂

1135

C₅H₄O₂

4-Cyclopentene-1,3-dione

¹A₁

C_2v

1136

C₅H₄O₂

furfural

¹A^'

OCCO trans

1137

C₅H₅NO

2(1H)-Pyridinone

¹A^'

C_s

1138

C₅H₅NO

2(3H)-Pyridinone

¹A

C_s

1139

C₅H₅NO

2(5H)-Pyridinone

¹A^'

C_s

1140

C₅H₅NO

2-Pyridinol

¹A^'

C_s

1141

C₅H₅NO

3(2H)-Pyridinone

¹A^'

C_s

1142

C₅H₅NO

3(4H)-Pyridinone

¹A^'

C₁

1143

C₅H₅NO

3(6H)-Pyridinone

¹A^'

C_s

1144

C₅H₅NO

3-Pyridinol

¹A^'

C_s

1145

C₅H₅NO

4(1H)-Pryidinone

¹A^'

C_s

1146

C₅H₅NO

4(3H)-Pryidinone

¹A^'

C_s

1147

C₅H₅NO

4-Pyridinol

¹A^'

C_s

1148

C₆H₅OH

phenol

¹A^'

C_s

1149

C₆H₆O

2,4-Cyclohexadienone

¹A

C_s

1150

C₅H₈O₂

Acetylacetone

1151

C₆H₁₀O

cyclohexanone

¹A^'

C_s

1152

SF₆

Sulfur Hexafluoride

¹A_1G

O_h

1153

C₆H₅F

Fluorobenzene

¹A₁

C_2v

1154

C₆H₅Cl

chlorobenzene

¹A₁

C_2v

1155

C₆H₅Br

bromobenzene

¹A₁

C_2v

1156

C₆H₅CCH

phenylacetylene

¹A₁

C_2v

1157

C₆H₅CHCH₂

Styrene

¹A^'

C_s

1158

C₈H₈

cubane

¹A_1G

O_h

1159

C₈H₈

cyclooctatetraene

¹A₁

D_2d

1160

C₆H₅CH₂CH₃

Ethylbenzene

¹A^'

C_s

1161

C₈H₁₄

Bicyclo[2.2.2]octane

¹A₁

D₃

1162

C₈H₁₈

Octane

¹A_G

C_2h

1163

C₆H₅CN

phenyl cyanide

¹A₁

C_2v

1164

C₆H₁₂N₂

Triethylenediamine

¹A₁^'

D_3h

1165

S₈

Octasulfur

¹A₁

D_4d

1166

C₆H₄O₂

parabenzoquinone

¹A_g

D_2h

1167

C₆H₅CHO

benzaldehyde

¹A^'

C_s

1168

C₆H₅OCH₃

Anisole

¹A^'

C_s

1169

C₂F₆

hexafluoroethane

¹A_1g

D_3d

1170

C₆H₄F₂

orthodifluorobenzene

¹A₁

C_2v

1171

C₆H₄F₂

1,4-difluorobenzene

¹A_g

D_2h

1172

C₆H₅NO₂

Nitrobenzene

¹A₁

C_2v

1173

C₆H₅COOH

benzoic acid

¹A^'

C_s

1174

C₁₀H₈

naphthalene

¹A_g

D_2h

1175

C₁₀H₁₆

adamantane

¹A₁

T_d

1176

C₁₂H₁₀

biphenyl

¹A

D₂

1177

C₁₄H₁₀

Anthracene

¹A_g

D_2h

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	HeH	Helium hydride	heh
6	Cu	Copper atom	cu
7	Cu^-	Copper atom anion	cu-
8	Cu⁺	Copper atom cation	cu+
9	KH⁺	Potassium hydrogen cation	kh+
10	CuH	Copper monohydride	cuh
11	Zn	Zinc atom	zn
12	Zn^-	Zinc atom anion	zn-
13	Zn⁺	Zinc atom cation	zn+
14	CaH⁺	Calcium monohydride cation	cah+
15	TiH	Titanium monohydride	tih
16	ZnH	Zinc monohydride	znh
17	ZnH⁺	Zinc, protonated	znh+
18	BeH₂⁺	Beryllium dihydride cation	beh2+
19	CaH₂	Calcium Hydride	cah2
20	ZnH₂	Zinc hydride	znh2
21	Sc	Scandium atom	sc
22	Sc⁺	Scandium cation	sc+
23	Ga	Gallium atom	ga
24	Ga^-	Gallium atom anion	ga-
25	Ga⁺	Gallium atom cation	ga+
26	ScH	Scandium monohydride	sch
27	ScH⁺	Scandium monohydride cation	sch+
28	GaH	Gallium monohydride	gah
29	GaH⁺	Gallium monohydride cation	gah+
30	BH₂^-	boron dihydride anion	bh2-
31	BH₂⁺	Boron dihydride cation	bh2+
32	ScH₃	Scandium trihydride	sch3
33	GaH₃	Gallium trihydride	gah3
34	BH₄	borohydride	bh4
35	Ti	Titanium atom	ti
36	Ti^-	Titanium atom anion	ti-
37	Ti⁺	Titanium atom cation	ti+
38	Ge	Germanium atom	ge
39	Ge^-	Germanium anion	ge-
40	Ge⁺	Germanium cation	ge+
41	Sn	Tin atom	sn
42	Sn⁺	Tin cation	sn+
43	GeH	germylidene	geh
44	GeH⁺	Germaniun monohyrdide cation	geh+
45	GeH₂	germylene	geh2
46	GeH₂^-	germylene anion	geh2-
47	GeH₃	Germyl radical	geh3
48	GeH₃⁺	germyl cation	geh3+
49	CD₄	methane-d4	cd4
50	CH₂D₂	methane-d2	ch2d2
51	CH₃D	methane-d	ch3d
52	CH₄^-	Methane anion	ch4-
53	CHD₃	methane-d3	chd3
54	SiH₂D₂	silane-d2	sih2d2
55	SiH₄⁺	Silane cation	sih4+
56	GeH₄	Germane	geh4
57	SnH₄	Stannane	snh4
58	SiH₅⁺	Silane, protonated	sih5+
59	V	Vanadium atom	v
60	V⁺	Vanadium atom cation	v+
61	As^-	Arsenic anion	as-
62	As⁺	Arsenic cation	as+
63	Sb	Antimony atom	sb
64	AsH⁺	Arsenic monohydride cation	ash+
65	SbH	Antimony monohydride	sbh
66	NH₂⁺	Amino cation	nh2+
67	AsH₂⁺	Arsenic dihydride cation	ash2+
68	NH₃^-	Ammonia anion	nh3-
69	SbH₃	Stibine	sbh3
70	AsH₄⁺	Arsonium	ash4+
71	NH₄	Ammonium radical	nh4
72	PH₄	Phosphoranyl radical	ph4
73	Cr	Chromium atom	cr
74	Te	Tellurium atom	te
75	Te⁺	Tellurium atom cation	te+
76	CrH	Chromium hydride	crh
77	CrH⁺	Chromium hydride cation	crh+
78	TeH	Telluryl radical	teh
79	H₂Te	Hydrogen Telluride	h2te
80	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
81	Mn	Manganese atom	mn
82	I	Iodine atom	iodine
83	I^-	Iodine atom anion	iodine-
84	I⁺	Iodine atom cation	iodine+
85	HI	Hydrogen iodide	hi
86	HI⁺	Hydrogen iodide cation	hi+
87	H₂Br⁺	protonated hydrogen bromide	h2br+
88	H₂I⁺	Iodonium	h2i+
89	Fe	Iron atom	fe
90	Kr	Krypton atom	kr
91	Kr⁺	Krypton cation	kr+
92	Xe	Xenon atom	xe
93	HeLi⁺	Helium Lithium cation	heli+
94	NeH	neon hydrogen	neh
95	KrH⁺	Protonated Krypton	krh+
96	XeH⁺	Xenon, protonated	xeh+
97	H₂Ar	H2 Ar dimer	h2ar
98	Co	Cobalt atom	cobalt
99	Ni	Nickel atom	ni
100	LiK	Lithium Potassium	lik
101	NaK	Sodium Potassium	nak
102	NaK⁺	Sodium Potassium diatomic cation	nak+
103	K₂	Potassium diatomic	k2
104	Cu₂	Copper diatomic	cu2
105	LiBe	Lithium Beryllium	libe
106	LiMg	Lithium magnesium	limg
107	NaBe	Sodium Beryllium	nabe
108	NaMg	Sodium Magnesium	namg
109	Be₂	Beryllium diatomic	be2
110	BeMg	Beryllium Magnesium	bemg
111	Ca₂	Calcium diatomic	ca2
112	LiB	Lithium boride	lib
113	LiAl	Lithium Aluminum	lial
114	NaAl	Sodium aluminum	naal
115	BeB	Beryllium monoboride	beb
116	BAl	Boron Aluminum	bal
117	BGa	Boron Gallium	bga
118	AlGa	Aluminum Gallium	alga
119	Ga₂	Gallium diatomic	ga2
120	HBBH	Diborane(2)	hbbh
121	LiBH₄	Lithium borohydride	libh4
122	HBHHBH	Diborane(4) C2V	hbhhbh
123	B₂H₆⁺	Diborane cation	b2h6
124	Al₂H₆	dialane	al2h6
125	Ga₂H₆	digallane	ga2h6
126	LiC	Lithium Carbide	lic
127	BeC	Beryllium Carbide	bec
128	CaC	Calcium monocarbide	cac
129	AlC	Aluminum carbide	alc
130	BSi	Boron silicide	bsi
131	GeC	Germanium monocarbide	gec
132	SiGe	Silicon Germanium	sige
133	Ge₂	Germanium diatomic	ge2
134	ZnCH₂	Zinc methylene	znch2
135	H₂CC^-	vinylidene anion	h2cc-
136	HCCH^-	acetylene anion	c2h2-
137	Si₂H₂	disilyne	si2h2
138	CuCH₃	monomethyl copper	cuch3
139	ZnCH₃	Zinc monomethyl	znch3
140	CH₂BH	methyleneborane	ch2bh
141	C₂H₃^-	vinyl anion	c2h3-
142	Si₂H₄	Disilene	si2h4
143	CH₃BH₂	methylborane	ch3bh2
144	C₂H₅^-	Ethyl anion	c2h5-
145	C₂H₆⁺	ethane cation	c2h6+
146	GeH₃CH₃	methyl germane	geh3ch3
147	C₂H₇⁺	Ethane, protonated	c2h7+
148	LiP	Lithium monophosphide	lip
149	BeN⁺	Beryllium mononitride cation	ben+
150	MgN	Magnesium Nitride	mgn
151	AlN^-	aluminum mononitride anion	aln-
152	BP	Boron monophosphide	bp
153	AlP	Aluminum monophosphide	alp
154	GaN	Gallium mononitride	gan
155	GaP	Gallium monophosphide	gap
156	GaAs	Gallium arsenide	gaas
157	TiN	Titanium mononitride	tin
158	AsN	Arsenic mononitride	asn
159	AsP	Arsenic monophosphide	asp
160	SbN	Antimony nitride	sbn
161	HNC⁺	hydrogen isocyanide cation	hnc+
162	HCP⁺	Phosphaethyne cation	hcp+
163	LiNH₂	lithium amide	linh2
164	HBNH	Boranimine	hbnh
165	CNH₂	Aminomethylidyne radical	cnh2
166	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
167	H₂CN	Dihydrogen cyanide radical	h2cn
168	H₂CN⁺	hydrocyanonium cation	h2cn+
169	HCNH	methyleneazane	hcnh
170	HCNH⁺	N-protonated HCN	hcnh+
171	H₂NN	Isodiazene	h2nn
172	N₂H₂	(Z)-Diazene	n2h2z
173	N₂H₂⁺	trans-diazene cation	n2h2+
174	CH₂NH⁺	Methanimine cation	ch2nh+
175	CHNH₂	aminomethylene	chnh2
176	CHNH₂⁺	Aminocarbene cation	chnh2+
177	BH₂NH₂	Boranamine	bh2nh2
178	N₂H₄⁺	hydrazine cation	n2h4+
179	CH₃NH₂⁺	methyl amine cation	ch3nh2+
180	SiH₃NH₂	Silane, amino	sih3nh2
181	N₂H₅⁺	protonated hydrazine	n2h5+
182	BH₃PH₃	borane phosphine	bh3ph3
183	CH₃NH₃	methyl ammonium radical	ch3nh3
184	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
185	N₂H₇⁺	ammonia ammonium dimer	n2h7+
186	LiO^-	lithium oxide anion	lio-
187	LiS	Lithium monosulfide	lis
188	LiS⁺	Lithium sulfide cation	lis+
189	NaO^-	sodium oxide anion	nao-
190	KO	Potassium monoxide	ko
191	KO⁺	Potassium monoxide cation	ko+
192	NaS	Sodium sulfide	nas
193	CuO	Copper Monoxide	cuo
194	LiSe	Lithium monoselenide	lise
195	CaS	Calcium sulfide	cas
196	ZnO	zinc monoxide	zno
197	ZnS	Zinc sulfide	zns
198	ScO	Scandium monoxide	sco
199	GaO	Gallium monoxide	gao
200	GaS	Gallium monosulfide	gas
201	TiO	Titanium monoxide	tio
202	GeO	Germanium monoxide	geo
203	GeO⁺	Germanium monoxide cation	geo+
204	GeS	Germanium monosulfide	ges
205	SiSe	Silicon Monoselenide	sise
206	SiSe⁺	Silicon Monoselenide cation	sise+
207	GeSe	Germanium monoselenide	gese
208	VO	Vanadium monoxide	vo
209	NSe	Nitrogen monoselenide	nse
210	AsS	Arsenic monosulfide	ass
211	PSe	Phosphorus monoselenide	pse
212	AsSe	Arsenic monoselenide	asse
213	O₂^--	dioxygen dianion	o2--
214	TeO	Tellurium monoxide	teo
215	Te₂	Tellurium diatomic	te2
216	KOH	Potassium hydroxide	koh
217	COH	Hydroxymethylidyne	coh
218	COH⁺	Carbon Monoxide, protonated	coh+
219	NOH	Hydroxyimidogen	noh
220	NOH⁺	O-protonated nitric oxide	noh+
221	HNS^-	Sulfur imide anion	hns-
222	HO₂⁺	Hydroperoxy cation	ho2+
223	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
224	SOH	Sulfur Hydroxide	soh
225	SOH⁺	Sulfur Monoxide, protonated	soh+
226	HS₂	Thiosulfeno radical	hs2
227	HOCH	hydroxycarbene	hoch
228	H₂CS^-	thioformaldehyde anion	h2cs-
229	H₂CS⁺	thioformaldehyde cation	h2cs+
230	H₂CSe	Selenoformaldehyde	h2cse
231	H₂NO	nitroxide	h2no
232	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
233	H₂OO	water oxide	h2oo
234	HOSH	hydrogen thioperoxide	hosh
235	H₂S₂⁺	hydrogen disulfide cation	h2s2+
236	H₂Se₂	hydrogen diselenide	h2se2
237	CH₃O^-	methoxy anion	ch3o-
238	CH₃O⁺	Methoxy cation	ch3o+
239	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
240	NH₂OH⁺	Hydroxylamine cation	nh2oh+
241	NH₃O	Ammonia Oxide	nh3o
242	H₂POH	Phosphinous acid	h2poh
243	H₃PO	Phosphine oxide	h3po
244	NH₂SH	Thiohydroxylamine	nh2sh
245	NH₃S	sulfidoazane	nh3s
246	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
247	CH₃OH^-	Methyl alcohol anion	ch3oh-
248	CH₃OH⁺	Methyl alcohol cation	ch3oh+
249	CH₃SH⁺	Methanethiol cation	ch3sh+
250	SiH₃OH	silanol	sih3oh
251	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
252	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
253	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
254	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
255	H₅O₂⁺	Dihydroxonium ion	h5o2+
256	CuF	Copper monofluoride	cuf
257	CuCl	Copper monochloride	cucl
258	LiI	Lithium Iodide	lii
259	NaI	Sodium Iodide	nai
260	KI	Potassium Iodide	ki
261	TiCl	Titanium Monochloride	ticl
262	ZnF	Zinc monofluoride	znf
263	ZnF^-	Zinc monofluoride anion	znf-
264	ZnF⁺	Zinc monofluoride cation	znf+
265	ZnCl	Zinc monochloride	zncl
266	CaBr	Calcium monobromide	cabr
267	ScF	Scandium monofluoride	scf
268	BBr	Boron monobromide	bbr
269	GaF	Gallium monofluoride	gaf
270	GaF⁺	Gallium monofluoride cation	gaf+
271	AlBr	Aluminum monobromide	albr
272	GaCl	Gallium monochloride	gacl
273	GaCl⁺	Gallium monochloride cation	gacl+
274	AlI	Aluminum monoiodide	ali
275	GaBr	Gallium monobromide	gabr
276	CBr	Carbon monobromide	cbr
277	GeF	Germanium monofluoride	gef
278	GeF⁺	Germanium monofluoride cation	gef+
279	GeCl	Germanium monochloride	gecl
280	GeCl⁺	Germanium monochloride cation	gecl+
281	SiBr	Silicon monobromide	sibr
282	SiBr⁺	Silicon monobromide cation	sibr+
283	NBr	nitrogen monobromide	nbr
284	AsCl	Arsenic monochloride	ascl
285	PBr	Phosphorus monobromide	pbr
286	SbF	Antimony monofluoride	sbf
287	SbCl	Antimony monochloride	sbcl
288	BrO	Bromine monoxide	bro
289	BrO^-	Bromine monoxide anion	bro-
290	BrO⁺	Bromine monoxide cation	bro+
291	SeF	Selenium monofluoride	sef
292	SBr	Sulfur monobromide radical	sbr
293	SBr⁺	Sulfur monobromide cation	sbr+
294	SeCl	Selenium monochloride	secl
295	IO	Iodine monoxide	io
296	SeBr	Selenium monobromide	sebr
297	ClF^-	clorine monofluoride anion	clf-
298	BrF^-	bromine fluoride anion	brf-
299	IF	Iodine monofluoride	if
300	ICl	Iodine monochloride	icl
301	IBr	Iodine monobromide	ibr
302	I₂	Iodine diatomic	i2
303	I₂⁺	Iodine diatomic cation	i2+
304	HCCl	Chloromethylene	hccl
305	HSiF	fluorosilylene	hsif
306	HSiCl	Chlorosilylene	hsicl
307	HSiBr	monobromosilylene	hsibr
308	CHBr	bromomethylene	chbr
309	HOCl⁺	hypochlorous acid cation	hocl+
310	HOBr⁺	Hypobromous acid cation	hobr+
311	HOI	Hypoiodous acid	hoi
312	F₂H⁺	Fluorine, protonated	f2h+
313	FHF	Hydrogen difluoride	fhf
314	FHF^-	Hydrogen difluoride anion	fhf-
315	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
316	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
317	Cl₂H⁺	Chlorine, protonated	cl2h+
318	CH₂Br	bromomethyl radical	ch2br
319	CH₂F⁺	fluoromethyl cation	ch2f+
320	CH₂Cl⁺	chloromethyl cation	ch2cl+
321	CH₂Cl	chloromethyl radical	ch2cl
322	H₂F₂	Hydrogen fluoride dimer	h2f2
323	CH₃F⁺	methyl fluoride cation	ch3f+
324	CD₃F	methylfluoride-d3	cd3f
325	CD₃Cl	methyl chloride d3	cd3cl
326	CH₃Cl⁺	Methyl chloride cation	ch3cl+
327	GeH₃F	monofluorogermane	geh3f
328	GeH₃Cl	monochlorogermane	geh3cl
329	SiH₃Br	bromosilane	sih3br
330	CH₃I	methyl iodide	ch3i
331	SiH₃I	Silyl Iodide	sih3i
332	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
333	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
334	NH₄Cl	Ammonium chloride	nh4cl
335	LiNe⁺	Lithium Neon cation	line+
336	Ne₂	Neon diatomic	ne2
337	Ne₂⁺	Neon diatomic cation	ne2+
338	Ar₂	Argon diatomic	ar2
339	Ar₂⁺	Argon diatomic cation	ar2+
340	Li₃	Lithium trimer	li3
341	Li₃⁺	Lithium trimer cation	li3+
342	SiC₂	Silicon dicarbide	sic2
343	C₃H₃	cyclopropenyl radical	cpr
344	C₃H₃^-	Propargyl anion	c3h3-
345	C₃H₄	cyclopropene	cprop
346	C₃H₅⁺	Allyl cation	allyl+
347	CH₃CHCH	1-propenyl radical	ch3chch
348	Zn(CH₃)₂	dimethyl zinc	dmz
349	C₃H₇⁺	cyclopropane, protonated	c3h7+
350	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
351	Si₃H₈	trisilane	si3h8
352	LiCN	lithium cyanide	licn
353	NaCN	Sodium Cyanide	nacn
354	KCN	Potassium cyanide	kcn
355	CuCN	Copper cyanide	cucn
356	ZnCN	Zinc monocyanide	zncn
357	ZnNC	Zinc isocyanide	znnc
358	AlCN	Aluminum monocyanide	alcn
359	AlNC	Aluminum isocyanide	alnc
360	CN₂	3H-Diazirin-3-ylidene	cn2
361	CNN	Diazocarbene	cnn
362	NCN	Cyanoimidogen	ncn
363	N₃⁺	azide cation	n3+
364	HCCN	cyanomethylene	hccn
365	HCNN	diazomethyl radical	hcnn
366	HN₃⁺	Hydrazoic acid cation	hn3+
367	HNNNH⁺	1,2-Triazadienium	n2h3+
368	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
369	CH₃CN⁺	Acetonitrile cation	ch3cn+
370	CHNCH₂	2H-Azirine	c157164
371	CHNHCH	1H-Azirine	chnhch
372	H₂CCNH	Ethenimine	ch2cnh
373	H₂CNCH	methyleneaminomethylene	ch2nch
374	HCCNH₂	Ethynamine	hccnh2
375	HCNCH₂⁺	2H-Azirine cation	hcnch2+
376	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
377	NCNH₃⁺	Cyanamide, protonated	ncnh3+
378	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
379	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
380	CH₂CHNH	vinylazine	ch2chnh
381	CH₃CHN	methylmethaniminyl radical	ch3chn
382	NH₂BHNH₂	diaminoborane	nh2bhnh2
383	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
384	C₂H₆N⁺	aziridine, protonated	c2h6n+
385	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
386	CH₃PHCH₃	dimethylphosphine	ch3phch3
387	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
388	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
389	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
390	Li₂O⁺	dilithium oxide cation	li2o+
391	Li₂S	dilithium sulfide	li2s
392	Na₂S	Sodium sulfide	na2s
393	LiO₂	Lithium dioxide	lio2
394	NaO₂	Sodium superoxide	nao2
395	CCO	Dicarbon monoxide	cco
396	NNS	Nitrogen sulfide	nns
397	PPO	Phosphorus oxide phosphide	ppo
398	CS₂^-	Carbon disulfide anion	cs2-
399	TiO₂	Titanium dioxide	tio2
400	SiS₂	Silicon disulfide	sis2
401	GeO₂	Germanium dioxide	geo2
402	SCSe	Carbon sulfide selenide	scse
403	GeS₂	Germanium disulfide	ges2
404	CSe₂	Carbon diselenide	cse2
405	SCTe	Carbon sulfide Telluride	scte
406	NSO	sulfinyl amidogen	NSO
407	SNO	Nitrogen oxide sulfide	sno
408	AsO₂	Aresenic dioxide	aso2
409	S₃^-	Sulfur trimer anion	s3-
410	S₃⁺	Sulfur trimer cation	s3+
411	SeO₂⁺	Selenium dioxide cation	seo2+
412	TeO₂	Tellurium Dioxide	teo2
413	CS₂H⁺	Carbon disulfide, protonated	cs2h+
414	HNCS	Isothiocyanic acid	hncs
415	HSCN	thiocyanic acid	hscn
416	HNNO	nitrosoazane	hnno
417	HNNO⁺	Nitrous oxide, N-protonated	hnno+
418	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
419	HCOO	formate neutral radical	hcoo
420	O₃H⁺	protonated ozone	o3h+
421	SO₂H⁺	protonated sulfur dioxide	so2h+
422	CH₂CS	Thioketene	ch2cs
423	Be(OH)₂	Beryllium hydroxide	beo2h2
424	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
425	NH₂NO	Nitrosamide	nh2no
426	H₂COO	Dioxymethyl radical	h2coo
427	H₂COO⁺	dioxymethyl cation	h2coo+
428	H₂O₃	Hydrogen trioxide	h2o3
429	HSSSH	trisulfane	hsssh
430	NaOCH₃	Sodium methoxide	naoch3
431	CH₂BOH	hydroxy(methylene)borane	ch2boh
432	BH₃CO	Borane carbonyl	bh3co
433	CH₃BO	Borane, methyloxo-	ch3bo
434	CH₂CHO	Vinyloxy radical	ch2cho
435	CH₂COH⁺	ketene, protonated	ch2coh+
436	CH₃CO^-	Acetyl anion	ch3co-
437	CH₂NOH	formaldoxime	ch2noh
438	CH₃NO	nitrosomethane	ch3no
439	CNOH₃	1,2-oxaziridine	cnoh3
440	HOCHNH	hydroxymethylimine	hochnh
441	CHSNH₂	thioformamide	chsnh2
442	NHCHSH	Methanimidothioic acid	nhchsh
443	CH₂OOH	CH2OOH radical	ch2ooh
444	C₂H₄O⁺	ethylene oxide cation	c2h4o+
445	CH₃CHO⁺	acetaldehyde cation	ch3cho+
446	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-	h2coch2+
447	CH₂CHSH	Ethenethiol	ch2chsh
448	H₂CONH₂⁺	protonated formamide	h2conh2+
449	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
450	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
451	CH₂(OH)₂	methanediol	ch2o2h2
452	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
453	HSCH₂SH	Methanedithiol	ch4s2
454	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
455	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
456	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
457	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
458	CH₃OCH₂	methoxymethyl radical	ch3och2
459	NH₂CH₂OH	aminomethanol	nh2ch2oh
460	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
461	CH₃SeCH₃	dimethylselenide	dmse
462	CuF₂	Copper difluoride	cuf2
463	ZnF₂	Zinc difluoride	znf2
464	CNF	iso cyanogen fluoride	cnf
465	ICN	Cyanogen iodide	icn
466	FBO	Boron monofluoride monoxide	fbo
467	BeF₂	Beryllium fluoride	bef2
468	MgF₂	Magnesium fluoride	mgf2
469	BeCl₂	Beryllium chloride	becl2
470	CaCl₂	Calcium Chloride	cacl2
471	ZnCl₂	Zinc dichloride	zncl2
472	BeBr₂	Beryllium bromide	bebr2
473	CaBr₂	Calcium dibromide	cabr2
474	CaF₂	Calcium difluoride	caf2
475	FCO	Carbonyl fluoride	fco
476	FCO⁺	Carbonyl fluoride cation	fco+
477	ClCO	carbonyl monochloride	clco
478	BF₂	Boron difluoride radical	bf2
479	FNS	Thionitrosyl fluoride	fns
480	FSN	Thiazyl fluoride	fsn
481	OPCl	Phosphorus oxychloride	opcl
482	BrNO	Nitrosyl bromide	brno
483	INO	Nitrosyl iodide	ino
484	CFCl	chlorofluoromethylene	cfcl
485	SiF₂	Silicon difluoride	sif2
486	SiF₂⁺	Silicon difluoride cation	sif2+
487	GeF₂	Germanium difluoride	gef2
488	GeCl₂	Germanium dichloride	gecl2
489	CBr₂	dibromomethylene	cbr2
490	FOO⁺	Fluorine dioxide cation	foo+
491	ClSO	Sulfur chloride oxide	clso
492	BrOO	Bromine dioxide	broo
493	OBrO	Bromine dioxide radical	obro
494	PF₂	Phosphorus difluoride	pf2
495	PF₂⁺	Phosphorus difluoride cation	pf2+
496	FClO	chlorosyl fluoride	fclo
497	ClOF	Chlorine hypofluorite	clof
498	SF₂^-	sulfur difluoride anion	sf2-
499	SeF₂	Selenium difluoride	sef2
500	BrOCl	Bromine hypochlorite	brocl

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H⁺

Hydrogen atom cation

HeH

Helium hydride

heh

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂⁺

Beryllium dihydride cation

beh2+

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

Scandium atom

Sc⁺

Scandium cation

sc+

Gallium atom

Ga^-

Gallium atom anion

ga-

Ga⁺

Gallium atom cation

ga+

ScH

Scandium monohydride

sch

ScH⁺

Scandium monohydride cation

sch+

GaH

Gallium monohydride

gah

GaH⁺

Gallium monohydride cation

gah+

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

ScH₃

Scandium trihydride

sch3

GaH₃

Gallium trihydride

gah3

BH₄

borohydride

bh4

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Germanium atom

Ge^-

Germanium anion

ge-

Ge⁺

Germanium cation

ge+

Tin atom

Sn⁺

Tin cation

sn+

GeH

germylidene

geh

GeH⁺

Germaniun monohyrdide cation

geh+

GeH₂

germylene

geh2

GeH₂^-

germylene anion

geh2-

GeH₃

Germyl radical

geh3

GeH₃⁺

germyl cation

geh3+

CD₄

methane-d4

cd4

CH₂D₂

methane-d2

ch2d2

CH₃D

methane-d

ch3d

CH₄^-

Methane anion

ch4-

CHD₃

methane-d3

chd3

SiH₂D₂

silane-d2

sih2d2

SiH₄⁺

Silane cation

sih4+

GeH₄

Germane

geh4

SnH₄

Stannane

snh4

SiH₅⁺

Silane, protonated

sih5+

Vanadium atom

V⁺

Vanadium atom cation

As^-

Arsenic anion

as-

As⁺

Arsenic cation

as+

Antimony atom

AsH⁺

Arsenic monohydride cation

ash+

SbH

Antimony monohydride

sbh

NH₂⁺

Amino cation

nh2+

AsH₂⁺

Arsenic dihydride cation

ash2+

NH₃^-

Ammonia anion

nh3-

SbH₃

Stibine

sbh3

AsH₄⁺

Arsonium

ash4+

NH₄

Ammonium radical

nh4

PH₄

Phosphoranyl radical

ph4

Chromium atom

Tellurium atom

Te⁺

Tellurium atom cation

te+

CrH

Chromium hydride

crh

CrH⁺

Chromium hydride cation

crh+

TeH

Telluryl radical

teh

H₂Te

Hydrogen Telluride

h2te

H₃Se⁺

Hydrogen Selenide, protonated

h3se+

Manganese atom

Iodine atom

iodine

I^-

Iodine atom anion

iodine-

I⁺

Iodine atom cation

iodine+

Hydrogen iodide

HI⁺

Hydrogen iodide cation

hi+

H₂Br⁺

protonated hydrogen bromide

h2br+

H₂I⁺

Iodonium

h2i+

Iron atom

Krypton atom

Kr⁺

Krypton cation

kr+

Xenon atom

HeLi⁺

Helium Lithium cation

heli+

NeH

neon hydrogen

neh

KrH⁺

Protonated Krypton

krh+

XeH⁺

Xenon, protonated

xeh+

H₂Ar

H2 Ar dimer

h2ar

Cobalt atom

cobalt

Nickel atom

100

LiK

Lithium Potassium

lik

101

NaK

Sodium Potassium

nak

102

NaK⁺

Sodium Potassium diatomic cation

nak+

103

K₂

Potassium diatomic

104

Cu₂

Copper diatomic

cu2

105

LiBe

Lithium Beryllium

libe

106

LiMg

Lithium magnesium

limg

107

NaBe

Sodium Beryllium

nabe

108

NaMg

Sodium Magnesium

namg

109

Be₂

Beryllium diatomic

be2

110

BeMg

Beryllium Magnesium

bemg

111

Ca₂

Calcium diatomic

ca2

112

LiB

Lithium boride

lib

113

LiAl

Lithium Aluminum

lial

114

NaAl

Sodium aluminum

naal

115

BeB

Beryllium monoboride

beb

116

BAl

Boron Aluminum

bal

117

BGa

Boron Gallium

bga

118

AlGa

Aluminum Gallium

alga

119

Ga₂

Gallium diatomic

ga2

120

HBBH

Diborane(2)

hbbh

121

LiBH₄

Lithium borohydride

libh4

122

HBHHBH

Diborane(4) C2V

hbhhbh

123

B₂H₆⁺

Diborane cation

b2h6

124

Al₂H₆

dialane

al2h6

125

Ga₂H₆

digallane

ga2h6

126

LiC

Lithium Carbide

lic

127

BeC

Beryllium Carbide

bec

128

CaC

Calcium monocarbide

cac

129

AlC

Aluminum carbide

alc

130

BSi

Boron silicide

bsi

131

GeC

Germanium monocarbide

gec

132

SiGe

Silicon Germanium

sige

133

Ge₂

Germanium diatomic

ge2

134

ZnCH₂

Zinc methylene

znch2

135

H₂CC^-

vinylidene anion

h2cc-

136

HCCH^-

acetylene anion

c2h2-

137

Si₂H₂

disilyne

si2h2

138

CuCH₃

monomethyl copper

cuch3

139

ZnCH₃

Zinc monomethyl

znch3

140

CH₂BH

methyleneborane

ch2bh

141

C₂H₃^-

vinyl anion

c2h3-

142

Si₂H₄

Disilene

si2h4

143

CH₃BH₂

methylborane

ch3bh2

144

C₂H₅^-

Ethyl anion

c2h5-

145

C₂H₆⁺

ethane cation

c2h6+

146

GeH₃CH₃

methyl germane

geh3ch3

147

C₂H₇⁺

Ethane, protonated

c2h7+

148

LiP

Lithium monophosphide

lip

149

BeN⁺

Beryllium mononitride cation

ben+

150

MgN

Magnesium Nitride

mgn

151

AlN^-

aluminum mononitride anion

aln-

152

Boron monophosphide

153

AlP

Aluminum monophosphide

alp

154

GaN

Gallium mononitride

gan

155

GaP

Gallium monophosphide

gap

156

GaAs

Gallium arsenide

gaas

157

TiN

Titanium mononitride

tin

158

AsN

Arsenic mononitride

asn

159

AsP

Arsenic monophosphide

asp

160

SbN

Antimony nitride

sbn

161

HNC⁺

hydrogen isocyanide cation

hnc+

162

HCP⁺

Phosphaethyne cation

hcp+

163

LiNH₂

lithium amide

linh2

164

HBNH

Boranimine

hbnh

165

CNH₂

Aminomethylidyne radical

cnh2

166

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

167

H₂CN

Dihydrogen cyanide radical

h2cn

168

H₂CN⁺

hydrocyanonium cation

h2cn+

169

HCNH

methyleneazane

hcnh

170

HCNH⁺

N-protonated HCN

hcnh+

171

H₂NN

Isodiazene

h2nn

172

N₂H₂

(Z)-Diazene

n2h2z

173

N₂H₂⁺

trans-diazene cation

n2h2+

174

CH₂NH⁺

Methanimine cation

ch2nh+

175

CHNH₂

aminomethylene

chnh2

176

CHNH₂⁺

Aminocarbene cation

chnh2+

177

BH₂NH₂

Boranamine

bh2nh2

178

N₂H₄⁺

hydrazine cation

n2h4+

179

CH₃NH₂⁺

methyl amine cation

ch3nh2+

180

SiH₃NH₂

Silane, amino

sih3nh2

181

N₂H₅⁺

protonated hydrazine

n2h5+

182

BH₃PH₃

borane phosphine

bh3ph3

183

CH₃NH₃

methyl ammonium radical

ch3nh3

184

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

185

N₂H₇⁺

ammonia ammonium dimer

n2h7+

186

LiO^-

lithium oxide anion

lio-

187

LiS

Lithium monosulfide

lis

188

LiS⁺

Lithium sulfide cation

lis+

189

NaO^-

sodium oxide anion

nao-

190

Potassium monoxide

191

KO⁺

Potassium monoxide cation

ko+

192

NaS

Sodium sulfide

nas

193

CuO

Copper Monoxide

cuo

194

LiSe

Lithium monoselenide

lise

195

CaS

Calcium sulfide

cas

196

ZnO

zinc monoxide

zno

197

ZnS

Zinc sulfide

zns

198

ScO

Scandium monoxide

sco

199

GaO

Gallium monoxide

gao

200

GaS

Gallium monosulfide

gas

201

TiO

Titanium monoxide

tio

202

GeO

Germanium monoxide

geo

203

GeO⁺

Germanium monoxide cation

geo+

204

GeS

Germanium monosulfide

ges

205

SiSe

Silicon Monoselenide

sise

206

SiSe⁺

Silicon Monoselenide cation

sise+

207

GeSe

Germanium monoselenide

gese

208

Vanadium monoxide

209

NSe

Nitrogen monoselenide

nse

210

AsS

Arsenic monosulfide

ass

211

PSe

Phosphorus monoselenide

pse

212

AsSe

Arsenic monoselenide

asse

213

O₂^--

dioxygen dianion

o2--

214

TeO

Tellurium monoxide

teo

215

Te₂

Tellurium diatomic

te2

216

KOH

Potassium hydroxide

koh

217

COH

Hydroxymethylidyne

coh

218

COH⁺

Carbon Monoxide, protonated

coh+

219

NOH

Hydroxyimidogen

noh

220

NOH⁺

O-protonated nitric oxide

noh+

221

HNS^-

Sulfur imide anion

hns-

222

HO₂⁺

Hydroperoxy cation

ho2+

223

HSO⁺

Sulfur Monoxide, S-protonated

HSO+

224

SOH

Sulfur Hydroxide

soh

225

SOH⁺

Sulfur Monoxide, protonated

soh+

226

HS₂

Thiosulfeno radical

hs2

227

HOCH

hydroxycarbene

hoch

228

H₂CS^-

thioformaldehyde anion

h2cs-

229

H₂CS⁺

thioformaldehyde cation

h2cs+

230

H₂CSe

Selenoformaldehyde

h2cse

231

H₂NO

nitroxide

h2no

232

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

233

H₂OO

water oxide

h2oo

234

HOSH

hydrogen thioperoxide

hosh

235

H₂S₂⁺

hydrogen disulfide cation

h2s2+

236

H₂Se₂

hydrogen diselenide

h2se2

237

CH₃O^-

methoxy anion

ch3o-

238

CH₃O⁺

Methoxy cation

ch3o+

239

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

240

NH₂OH⁺

Hydroxylamine cation

nh2oh+

241

NH₃O

Ammonia Oxide

nh3o

242

H₂POH

Phosphinous acid

h2poh

243

H₃PO

Phosphine oxide

h3po

244

NH₂SH

Thiohydroxylamine

nh2sh

245

NH₃S

sulfidoazane

nh3s

246

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

247

CH₃OH^-

Methyl alcohol anion

ch3oh-

248

CH₃OH⁺

Methyl alcohol cation

ch3oh+

249

CH₃SH⁺

Methanethiol cation

ch3sh+

250

SiH₃OH

silanol

sih3oh

251

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

252

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

253

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

254

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

255

H₅O₂⁺

Dihydroxonium ion

h5o2+

256

CuF

Copper monofluoride

cuf

257

CuCl

Copper monochloride

cucl

258

LiI

Lithium Iodide

lii

259

NaI

Sodium Iodide

nai

260

Potassium Iodide

261

TiCl

Titanium Monochloride

ticl

262

ZnF

Zinc monofluoride

znf

263

ZnF^-

Zinc monofluoride anion

znf-

264

ZnF⁺

Zinc monofluoride cation

znf+

265

ZnCl

Zinc monochloride

zncl

266

CaBr

Calcium monobromide

cabr

267

ScF

Scandium monofluoride

scf

268

BBr

Boron monobromide

bbr

269

GaF

Gallium monofluoride

gaf

270

GaF⁺

Gallium monofluoride cation

gaf+

271

AlBr

Aluminum monobromide

albr

272

GaCl

Gallium monochloride

gacl

273

GaCl⁺

Gallium monochloride cation

gacl+

274

AlI

Aluminum monoiodide

ali

275

GaBr

Gallium monobromide

gabr

276

CBr

Carbon monobromide

cbr

277

GeF

Germanium monofluoride

gef

278

GeF⁺

Germanium monofluoride cation

gef+

279

GeCl

Germanium monochloride

gecl

280

GeCl⁺

Germanium monochloride cation

gecl+

281

SiBr

Silicon monobromide

sibr

282

SiBr⁺

Silicon monobromide cation

sibr+

283

NBr

nitrogen monobromide

nbr

284

AsCl

Arsenic monochloride

ascl

285

PBr

Phosphorus monobromide

pbr

286

SbF

Antimony monofluoride

sbf

287

SbCl

Antimony monochloride

sbcl

288

BrO

Bromine monoxide

bro

289

BrO^-

Bromine monoxide anion

bro-

290

BrO⁺

Bromine monoxide cation

bro+

291

SeF

Selenium monofluoride

sef

292

SBr

Sulfur monobromide radical

sbr

293

SBr⁺

Sulfur monobromide cation

sbr+

294

SeCl

Selenium monochloride

secl

295

Iodine monoxide

296

SeBr

Selenium monobromide

sebr

297

ClF^-

clorine monofluoride anion

clf-

298

BrF^-

bromine fluoride anion

brf-

299

Iodine monofluoride

300

ICl

Iodine monochloride

icl

301

IBr

Iodine monobromide

ibr

302

I₂

Iodine diatomic

303

I₂⁺

Iodine diatomic cation

i2+

304

HCCl

Chloromethylene

hccl

305

HSiF

fluorosilylene

hsif

306

HSiCl

Chlorosilylene

hsicl

307

HSiBr

monobromosilylene

hsibr

308

CHBr

bromomethylene

chbr

309

HOCl⁺

hypochlorous acid cation

hocl+

310

HOBr⁺

Hypobromous acid cation

hobr+

311

HOI

Hypoiodous acid

hoi

312

F₂H⁺

Fluorine, protonated

f2h+

313

FHF

Hydrogen difluoride

fhf

314

FHF^-

Hydrogen difluoride anion

fhf-

315

ClFH⁺

Chlorine fluoride, F-protonated

clfh+

316

FClH⁺

Chlorine fluoride, Cl-protonated

fclh+

317

Cl₂H⁺

Chlorine, protonated

cl2h+

318

CH₂Br

bromomethyl radical

ch2br

319

CH₂F⁺

fluoromethyl cation

ch2f+

320

CH₂Cl⁺

chloromethyl cation

ch2cl+

321

CH₂Cl

chloromethyl radical

ch2cl

322

H₂F₂

Hydrogen fluoride dimer

h2f2

323

CH₃F⁺

methyl fluoride cation

ch3f+

324

CD₃F

methylfluoride-d3

cd3f

325

CD₃Cl

methyl chloride d3

cd3cl

326

CH₃Cl⁺

Methyl chloride cation

ch3cl+

327

GeH₃F

monofluorogermane

geh3f

328

GeH₃Cl

monochlorogermane

geh3cl

329

SiH₃Br

bromosilane

sih3br

330

CH₃I

methyl iodide

ch3i

331

SiH₃I

Silyl Iodide

sih3i

332

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

333

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

334

NH₄Cl

Ammonium chloride

nh4cl

335

LiNe⁺

Lithium Neon cation

line+

336

Ne₂

Neon diatomic

ne2

337

Ne₂⁺

Neon diatomic cation

ne2+

338

Ar₂

Argon diatomic

ar2

339

Ar₂⁺

Argon diatomic cation

ar2+

340

Li₃

Lithium trimer

li3

341

Li₃⁺

Lithium trimer cation

li3+

342

SiC₂

Silicon dicarbide

sic2

343

C₃H₃

cyclopropenyl radical

cpr

344

C₃H₃^-

Propargyl anion

c3h3-

345

C₃H₄

cyclopropene

cprop

346

C₃H₅⁺

Allyl cation

allyl+

347

CH₃CHCH

1-propenyl radical

ch3chch

348

Zn(CH₃)₂

dimethyl zinc

dmz

349

C₃H₇⁺

cyclopropane, protonated

c3h7+

350

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

351

Si₃H₈

trisilane

si3h8

352

LiCN

lithium cyanide

licn

353

NaCN

Sodium Cyanide

nacn

354

KCN

Potassium cyanide

kcn

355

CuCN

Copper cyanide

cucn

356

ZnCN

Zinc monocyanide

zncn

357

ZnNC

Zinc isocyanide

znnc

358

AlCN

Aluminum monocyanide

alcn

359

AlNC

Aluminum isocyanide

alnc

360

CN₂

3H-Diazirin-3-ylidene

cn2

361

CNN

Diazocarbene

cnn

362

NCN

Cyanoimidogen

ncn

363

N₃⁺

azide cation

n3+

364

HCCN

cyanomethylene

hccn

365

HCNN

diazomethyl radical

hcnn

366

HN₃⁺

Hydrazoic acid cation

hn3+

367

HNNNH⁺

1,2-Triazadienium

n2h3+

368

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

369

CH₃CN⁺

Acetonitrile cation

ch3cn+

370

CHNCH₂

2H-Azirine

c157164

371

CHNHCH

1H-Azirine

chnhch

372

H₂CCNH

Ethenimine

ch2cnh

373

H₂CNCH

methyleneaminomethylene

ch2nch

374

HCCNH₂

Ethynamine

hccnh2

375

HCNCH₂⁺

2H-Azirine cation

hcnch2+

376

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

377

NCNH₃⁺

Cyanamide, protonated

ncnh3+

378

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

379

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

380

CH₂CHNH

vinylazine

ch2chnh

381

CH₃CHN

methylmethaniminyl radical

ch3chn

382

NH₂BHNH₂

diaminoborane

nh2bhnh2

383

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

384

C₂H₆N⁺

aziridine, protonated

c2h6n+

385

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

386

CH₃PHCH₃

dimethylphosphine

ch3phch3

387

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

388

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

389

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

390

Li₂O⁺

dilithium oxide cation

li2o+

391

Li₂S

dilithium sulfide

li2s

392

Na₂S

Sodium sulfide

na2s

393

LiO₂

Lithium dioxide

lio2

394

NaO₂

Sodium superoxide

nao2

395

CCO

Dicarbon monoxide

cco

396

NNS

Nitrogen sulfide

nns

397

PPO

Phosphorus oxide phosphide

ppo

398

CS₂^-

Carbon disulfide anion

cs2-

399

TiO₂

Titanium dioxide

tio2

400

SiS₂

Silicon disulfide

sis2

401

GeO₂

Germanium dioxide

geo2

402

SCSe

Carbon sulfide selenide

scse

403

GeS₂

Germanium disulfide

ges2

404

CSe₂

Carbon diselenide

cse2

405

SCTe

Carbon sulfide Telluride

scte

406

NSO

sulfinyl amidogen

NSO

407

SNO

Nitrogen oxide sulfide

sno

408

AsO₂

Aresenic dioxide

aso2

409

S₃^-

Sulfur trimer anion

s3-

410

S₃⁺

Sulfur trimer cation

s3+

411

SeO₂⁺

Selenium dioxide cation

seo2+

412

TeO₂

Tellurium Dioxide

teo2

413

CS₂H⁺

Carbon disulfide, protonated

cs2h+

414

HNCS

Isothiocyanic acid

hncs

415

HSCN

thiocyanic acid

hscn

416

HNNO

nitrosoazane

hnno

417

HNNO⁺

Nitrous oxide, N-protonated

hnno+

418

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

419

HCOO

formate neutral radical

hcoo

420

O₃H⁺

protonated ozone

o3h+

421

SO₂H⁺

protonated sulfur dioxide

so2h+

422

CH₂CS

Thioketene

ch2cs

423

Be(OH)₂

Beryllium hydroxide

beo2h2

424

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

425

NH₂NO

Nitrosamide

nh2no

426

H₂COO

Dioxymethyl radical

h2coo

427

H₂COO⁺

dioxymethyl cation

h2coo+

428

H₂O₃

Hydrogen trioxide

h2o3

429

HSSSH

trisulfane

hsssh

430

NaOCH₃

Sodium methoxide

naoch3

431

CH₂BOH

hydroxy(methylene)borane

ch2boh

432

BH₃CO

Borane carbonyl

bh3co

433

CH₃BO

Borane, methyloxo-

ch3bo

434

CH₂CHO

Vinyloxy radical

ch2cho

435

CH₂COH⁺

ketene, protonated

ch2coh+

436

CH₃CO^-

Acetyl anion

ch3co-

437

CH₂NOH

formaldoxime

ch2noh

438

CH₃NO

nitrosomethane

ch3no

439

CNOH₃

1,2-oxaziridine

cnoh3

440

HOCHNH

hydroxymethylimine

hochnh

441

CHSNH₂

thioformamide

chsnh2

442

NHCHSH

Methanimidothioic acid

nhchsh

443

CH₂OOH

CH2OOH radical

ch2ooh

444

C₂H₄O⁺

ethylene oxide cation

c2h4o+

445

CH₃CHO⁺

acetaldehyde cation

ch3cho+

446

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

447

CH₂CHSH

Ethenethiol

ch2chsh

448

H₂CONH₂⁺

protonated formamide

h2conh2+

449

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

450

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

451

CH₂(OH)₂

methanediol

ch2o2h2

452

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

453

HSCH₂SH

Methanedithiol

ch4s2

454

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

455

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

456

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

457

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

458

CH₃OCH₂

methoxymethyl radical

ch3och2

459

NH₂CH₂OH

aminomethanol

nh2ch2oh

460

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

461

CH₃SeCH₃

dimethylselenide

dmse

462

CuF₂

Copper difluoride

cuf2

463

ZnF₂

Zinc difluoride

znf2

464

CNF

iso cyanogen fluoride

cnf

465

ICN

Cyanogen iodide

icn

466

FBO

Boron monofluoride monoxide

fbo

467

BeF₂

Beryllium fluoride

bef2

468

MgF₂

Magnesium fluoride

mgf2

469

BeCl₂

Beryllium chloride

becl2

470

CaCl₂

Calcium Chloride

cacl2

471

ZnCl₂

Zinc dichloride

zncl2

472

BeBr₂

Beryllium bromide

bebr2

473

CaBr₂

Calcium dibromide

cabr2

474

CaF₂

Calcium difluoride

caf2

475

FCO

Carbonyl fluoride

fco

476

FCO⁺

Carbonyl fluoride cation

fco+

477

ClCO

carbonyl monochloride

clco

478

BF₂

Boron difluoride radical

bf2

479

FNS

Thionitrosyl fluoride

fns

480

FSN

Thiazyl fluoride

fsn

481

OPCl

Phosphorus oxychloride

opcl

482

BrNO

Nitrosyl bromide

brno

483

INO

Nitrosyl iodide

ino

484

CFCl

chlorofluoromethylene

cfcl

485

SiF₂

Silicon difluoride

sif2

486

SiF₂⁺

Silicon difluoride cation

sif2+

487

GeF₂

Germanium difluoride

gef2

488

GeCl₂

Germanium dichloride

gecl2

489

CBr₂

dibromomethylene

cbr2

490

FOO⁺

Fluorine dioxide cation

foo+

491

ClSO

Sulfur chloride oxide

clso

492

BrOO

Bromine dioxide

broo

493

OBrO

Bromine dioxide radical

obro

494

PF₂

Phosphorus difluoride

pf2

495

PF₂⁺

Phosphorus difluoride cation

pf2+

496

FClO

chlorosyl fluoride

fclo

497

ClOF

Chlorine hypofluorite

clof

498

SF₂^-

sulfur difluoride anion

sf2-

499

SeF₂

Selenium difluoride

sef2

500

BrOCl

Bromine hypochlorite

brocl

501

SeCl₂

Selenium Dichloride

secl2

502

SBr₂

Sulfur dibromide

sbr2

503

SeBr₂

Selenium dibromide

sebr2

504

BrOBr

Bromine oxide

brobr

505

F₃^-

trifluoride anion

f3-

506

Cl₃^-

trichloride anion

cl3-

507

Br₃^-

tribromide anion

br3-

508

I₃^-

triiodide

i3-

509

SFCl

Sulfur chloride fluoride

sfcl

510

HCCCl

Chloroacetylene

hcccl

511

HCCBr

bromoacetylene

hccbr

512

HFCO⁺

formyl fluoride cation

hfco+

513

COHCl

Formyl chloride

cohcl

514

COHBr

Formyl bromide

cohbr

515

CHCl₂

dichloromethyl radical

chcl2

516

CHF₂

difluoromethyl radical

chf2

517

CHF₂⁺

difluoromethyl cation

chf2+

518

CHFCl

Chlorofluoromethyl radical

chfcl

519

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

520

CHCl₂⁺

dichloromethyl cation

chcl2+

521

CHBr₂

dibromomethyl radical

chbr2

522

HOClO

Chlorous acid

hoclo

523

NHF₂

difluoramine

nhf2

524

NHCl₂

dichloroamine

nhcl2

525

SiH₂F₂

difluorosilane

sih2f2

526

CH₂BrF

Methane, bromofluoro-

ch2fbr

527

CH₂BrCl

Methane, bromochloro-

ch2clbr

528

CH₂FI

fluoroiodomethane

ch2fi

529

CH₂ClI

chloroiodomethane

ch2cli

530

CH₂BrI

bromoiodomethane

ch2bri

531

CH₂I₂

Diiodomethane

ch2i2

532

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

533

CH₂CHF⁺

fluoroethene cation

ch2chf+

534

C₂H₃I

Vinyl iodide

c2h3i

535

CH₂FOH

fluoromethanol

ch2foh

536

CH₃OCl

methyl hypochlorite

ch3ocl

537

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

538

CHClCH₃

1-chloroethyl radical

chclch3

539

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

540

C₂H₅I

Ethyl iodide

c2h5i

541

KrF₂

Krypton difluoride

krf2

542

XeF₂

Xenon difluoride

xef2

543

B₄H₁₀

Tetraborane(10)

b4h10

544

C₄H₄

cyclobutadiene

cbd

545

C₄H₄

Tetrahedrane

c4h4

546

CHCCH₂CH₃

1-Butyne

c107006

547

CH₃CHCHCH₂

methylallyl radical

c4h7

548

C₄H₈

methylcyclopropane

mcp

549

B(CH₃)₃

trimethylborane

bme3

550

Al(CH₃)₃

trimethyl aluminum

tma

551

SiH(CH₃)₃

trimethylsilane

trimsi

552

Li₃N

trilithium nitride

li3n

553

As₄

Arsenic tetramer

as4

554

H₂CNCN

cyanamide, methylene

ch2ncn

555

HNCCNH

Ethenediimine

hnccnh

556

CH₃N₃

methyl azide

ch3n3

557

NH₂CCNH₂

Diaminoacetylene

daa

558

NH₂CH₂CN

Aminoacetonitrile

aan

559

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

560

C₂H₅CN

ethyl cyanide

c2h5cn

561

CH₅N₃

Guanidine

guanidine

562

C₄H₆

Bicyclo[1.1.0]butane

c157335

563

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

564

H₂NCHCHNH₂

diaminoethylene

dae

565

CH₆N₃⁺

guanidinium

ch6n3+

566

CH₇N₃

triaminomethane

tam

567

C₃H₇N

Azetidine

azet

568

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

569

P(CH₃)₃

trimethylphosphine

tmp

570

N(SiH₃)₃

trisilylamine

tsa

571

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

572

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

573

Li₂O₂

dilithium dioxide

li2o2

574

Na₂O₂

disodium dioxide

na2o2

575

K₂O₂

dipotassium dioxide

k2o2

576

C₃O

Tricarbon monoxide

c3o

577

S₂N₂

Disulfur dinitride

s2n2

578

CO₃

Carbon trioxide

co3

579

CS₃^--

Carbonotrithioate

cs3--

580

NO₃^-

nitrate anion

no3-

581

NO₃⁺

nitrogen trioxide cation

no3+

582

SO₃^--

Sulfate dianion

so3--

583

SeO₃

selenium trioxide

seo3

584

S₄

Sulfur tetramer

585

TeO₃

Tellurium trioxide

teo3

586

HSO₃

Hydroxysulfonyl radical

hso3

587

NH₂NO₂

nitramide

nh2no2

588

C₂H₂CO

cyclopropenone

c2h2co

589

C₃H₂O

Propadienal

c3h2o

590

HCCCHO

2-propynal

hcccho

591

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

592

H₂CO₃

Carbonic acid

h2co3

593

H₂CS₃

thiocarbonic acid

h2cs3

594

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

595

H₂SO₃

Sulfurous acid

h2so3

596

C₂H₃NO

Nitrosoethylene

c2h3no

597

CH₃NCO

methylisocyante

ch3nco

598

HOCH₂CN

cyanomethanol

hoch2cn

599

NH₂COOH

Carbamic acid

nh2cooh

600

H₃AlO₃

Aluminum hydroxide

h3alo3

601

H₃CO₃⁺

carbonic acid, protonated

h3co3+

602

NH₂CONH₂⁺

Urea cation

urea+

603

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

604

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

605

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

606

CH₃COCH₂

Acetonyl radical

ch3coch2

607

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

608

CH₃C(OH)=NH

Ethaninidic acid

eia

609

HCONHCH₃

N-methylformamide

nmfa

610

CH₃CSNH₂

Ethanethioamide

ch3csnh2

611

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

612

H₂NCOHNH₂⁺

urea, protonated

ureah+

613

C₂H₅OO

ethylperoxy radical

c2h5oo

614

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

615

C₃H₅OH

Cyclopropanol

cproh

616

C₃H₆O

2-Propen-1-ol

c107186

617

C₃H₆O

Acetone enol

enol

618

C₃H₆O

Oxetane

oxetane

619

CH₃COCH₃^-

acetone anion

ch3coch3-

620

CH₃CSCH₃

Thioacetone

ch3csch3

621

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

622

HOCH₂CH₂NH₂

monoethanolamine

mea

623

Li₂F₂

Lithium fluoride dimer

li2f2

624

Na₂F₂

Sodium Fluoride Dimer

na2f2

625

Na₂Cl₂

Disodium dichloride

na2cl2

626

FNO₂

Nitryl fluoride

fno2

627

FONO

Nitrosyl hypofluorite

fono

628

ClONO

chlorine nitrite

clono

629

BrONO

Bromine nitrite

brono

630

CF₂O⁺

Carbonic difluoride cation

f2co+

631

COFCl

Carbonic chloride fluoride

cofcl

632

Cl₂CS

Thiophosgene

cl2cs

633

COBr₂

Carbonic dibromide

cobr2

634

BClF₂

Chlorodifluoroborane

bclf2

635

ScF₃

Scandium trifluoride

ScF3

636

BCl₃⁺

Boron Trichloride cation

bcl3+

637

GaF₃

Gallium trifluoride

gaf3

638

GaCl₃

Gallium trichloride

gacl3

639

BBr₃

Boron tribromide

bbr3

640

AlBr₃

Aluminum Bromide

albr3

641

ClO₃

Chlorine trioxide

clo3

642

BrO₃^-

Bromate anion

bro3-

643

CF₂Cl

difluorochloromethyl radical

cf2cl

644

SiF₃

Silicon trifluoride radical

sif3

645

SiF₃⁺

Silicon trifluoride cation

sif3+

646

CFCl₂

dichlorofluoromethyl radical

cfcl2

647

CBr₃

tribromomethyl radical

cbr3

648

FOOF

Perfluoroperoxide

foof

649

ClO₂F

Chloryl fluoride

clo2f

650

F₂SO

Thionyl Fluoride

f2so

651

ClOOCl

Dichlorine dioxide

cloocl

652

SSCl₂

Thiothionyl chloride

sscl2

653

SeOCl₂

selenium oxychloride

seocl2

654

SbF₃

Antimony Trifluoride

sbf3

655

AsCl₃

Arsenous trichloride

ascl3

656

SbCl₃

Antimony Trichloride

sbcl3

657

NBr₃

Nitrogen Tribromide

nbr3

658

PBr₃

Phosphorus tribromide

pbr3

659

AsBr₃

Arsenic tribromide

asbr3

660

NI₃

Nitrogen triiodide

ni3

661

PI₃

Phosphorus triiodide

pi3

662

SF₃

Sulfur trifluoride

sf3

663

ClF₃

Chlorine trifluoride

clf3

664

BrF₃

Bromine trifluoride

brf3

665

IF₃

iodone trifluoride

if3

666

HClO₃

Chloric Acid

hclo3

667

SiHF₃

trifluorosilane

sihf3

668

CDCl₃

trichloromethane-d

cdcl3

669

CHBrF₂

Methane, bromodifluoro-

chbrf2

670

CHFClBr

fluorochlorobromomethane

chfclbr

671

CHBrCl₂

Methane, bromodichloro-

chbrcl2

672

CHF₂I

difluoroiodomethane

chf2i

673

CHBr₂F

dibromofluoromethane

chbr2f

674

CHFClI

fluorochloroiodomethane

chfcli

675

CHCl₂I

dichloroiodomethane

chcl2i

676

CHClBr₂

Methane, dibromochloro-

chclbr2

677

CHI₃

Iodoform

chi3

678

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

679

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

680

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

681

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

682

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

683

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

684

CHBrCHBr

Ethene, 1,2-dibromo-, (E)-

chbrchbre

685

CHBrCHBr

Ethene, 1,2-dibromo-, (Z)-

chbrchbrz

686

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

687

CH₂ClCHO

chloroacetaldehyde

ch2clcho

688

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

689

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

690

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

691

CH₂CFCH₃

2-fluoropropene

2fpro

692

CH₂CHCH₂F

Allyl Fluoride

allylf

693

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

694

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

695

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

696

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

697

CH₂FCH₂CH₃

1-Fluoropropane

prf1

698

CH₃CHFCH₃

2-Fluoropropane

prf2

699

CH₃CH₂CH₂Br

n-propyl bromide

prbr

700

CH₃CHBrCH₃

i-propyl bromide

iprbr

701

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

702

B₅H₉

pentaborane9

b5h9

703

C₅H₄

pentatetraene

ptrene

704

C₅H₅

cyclopentadienyl radical

c5h5

705

C₅H₆

Propellane

propellane

706

C₅H₇

1,3-pentadienyl radical

pdyl

707

C₅H₇

cyclopentenyl radical

cpyl

708

C₅H₈

1-pentyne

a1pentyne

709

C₅H₈

Bicyclo[1.1.1]pentane

bcp

710

C₅H₈

Ethenylcyclopropane

c693867

711

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

712

CH₂N₄

1H-Tetrazole

1htz

713

C₃H₃N₂

imidazolyl radical

714

C₃H₃N₂^-

imidizolyl anion

im-

715

C₂H₃N₃

1H-1,2,4-Triazole

c288880

716

C₄H₄N

pyrrolide radical

c4h4n

717

C₄H₄N^-

pyrrolide anion

c4h4n-

718

C₃H₄N₂

2H-Imidazole

imid2h

719

C₄H₅N

2H-pyrrole

pyrrole2

720

C₄H₅N

3H-pyrrole

pyrrole3

721

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

722

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

723

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

724

C₄H₆N⁺

pyrrole, protonated

ppyr

725

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

726

CH₃CH₂CH₂CN

Butanenitrile

c109740

727

NH(C₂H₅)₂

diethylamine

dea

728

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

729

B₂O₃

diboron trioxide

b2o3

730

MgCO₃

Magnesium Carbonate

mgco3

731

BeCO₃

Beryllium Carbonate

beco3

732

ONONO

Nitrosyl nitrite

onono

733

HOONO₂

peroxy nitric acid

hoono2

734

HSO₄^-

bisulfate anion

hso4-

735

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

736

C₃H₂O₂

Propiolic acid

c3h2o2

737

CHOCOOH

oxo acetic acid

oaa

738

CHOOCHO

diformyl ether

choocho

739

H₂SeO₄

Selenic acid

h2seo4

740

C₃H₃NO

Oxazole

oxazole

741

C₃H₃NS

Thiazole

thiazole

742

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

743

H₃PO₄

Phosphoric Acid

h3po4

744

C₄H₄O⁺

Furan cation

furan+

745

CH₃COCCH

3-butyn-2-one

c1423605

746

C₄H₄Se

selenophene

c4h4se

747

C₃H₄O₂

Methyl glyoxal

megly

748

HOCHCCHOH

allenediol

aldiol

749

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

750

C₂H₄O₃

trioxolane124

triox

751

HOCH₂COOH

Hydroxyacetic acid

hac

752

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

753

CH₃CH₂COOH

Propanoic Acid

propanoic

754

HCOOC₂H₅

Ethyl formate

faee

755

C₄H₈O

Furan, tetrahydro-

thf

756

C₄H₁₀O

Methyl propyl ether

meopr

757

C₄H₁₀O⁺

1-Butanol cation

butanol1+

758

C₄H₉SH

1-Butanethiol

bush

759

ClONO₂

Chlorine nitrate

clono2

760

BrONO₂

Bromine nitrate

brono2

761

TiCl₄

Titanium tetrachloride

ticl4

762

SO₂F₂

Sulfuryl fluoride

so2f2

763

TiF₄

Titanium tetrafluoride

tif4

764

GeF₄

Germanium tetrafluoride

gef4

765

CCl₄⁺

Carbon tetrachloride cation

ccl4+

766

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

767

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

768

CF₃I

trifluoroiodomethane

cf3i

769

CBrCl₃

Methane, bromotrichloro-

cbrcl3

770

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

771

GeCl₄

Germanium Tetrachloride

gecl4

772

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

773

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

774

CCl₃I

trichloroiodomethane

ccl3i

775

CFBr₃

fluorotribromomethane

cfbr3

776

CFClBrI

fluorochlorobromoiodomethane

cfclbri

777

CBr₃Cl

tribromochloromethane

cbr3cl

778

CF₂I₂

difluorodiiodomethane

cf2i2

779

CCl₂I₂

dichlorodiiodomethane

ccl2i2

780

SiBr₄

Silicon tetrabromide

sibr4

781

CBr₃I

tribromoiododmethane

cbr3i

782

GeBr₄

Germanium tetrabromide

gebr4

783

CI₄

tetraiodomethane

ci4

784

SiI₄

silicon tetraiodide

sii4

785

ClOF₃

Chlorine trifluoride oxide

clof3

786

SeF₄

Selenium tetrafluoride

sef4

787

SCl₄

Sulfur tetrachloride

scl4

788

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

789

CF₃OH

trifluoromethanol

cf3oh

790

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

791

CHClCCHCl

1,3-dichloroallene

chclcchcl

792

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

793

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

794

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

795

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

796

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

797

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

798

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

799

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

800

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

801

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

802

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

803

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

804

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

805

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

806

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

807

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

808

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

809

C₄H₉F

1-fluorobutane

butaf1

810

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

811

XeF₄

Xenon tetrafluoride

xef4

812

C₂H₂N₂O

Furazan

furazan

813

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

814

NH₃BF₃

Amminetrifluoroboron

nh3bf3

815

C₆H₂

hexatriyne

c6h2

816

C₆H₅

phenyl

817

C₆H₅^-

phenyl anion

phenyl-

818

C₆H₆

Prismane

prismane

819

C₆H₆

1,2,4,5-Hexatetraene

ht1245

820

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

821

C₆H₆

Benzvalene

822

C₆H₆

Dewar Benzene

dewar

823

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

824

C₆H₆

Trimethylenecycopropane

tmcp

825

C₆H₆⁺

Benzene cation

c6h6+

826

C₆H₇⁺

benzene, protonated

c6h7+

827

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

828

C₆H₁₀

1,5-Hexadiene

c592427

829

C₆H₁₂

(1R,2R)-1,2-dimethylcyclobutane

dmcb12t

830

C₆H₁₂

(1r,3r)-1,3-dimethylcyclobutane

dmcb13t

831

C₆H₁₂

(E)-2-Hexene

e2hexene

832

C₆H₁₂

(E)-hex-3-ene

e3hexene

833

C₆H₁₂

(Z)-hex-2-ene

z2hexene

834

C₆H₁₂

(Z)-hex-3-ene

z3hexene

835

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

836

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

837

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

838

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

839

N₃P₃

1,3,5,2,4,6-Triazatriphosphorine

n3p3

840

C₄H₂N₂

Fumaronitrile

c4h2n2

841

C₅H₅N

E-2,4-pentadienenitrile

bdcn

842

C₅H₆N⁺

Pyridinium

c5h6n

843

Li₂CO₃

Lithium Carbonate

li2co3

844

Na₂CO₃

Sodium Carbonate

na2co3

845

MgSO₄

Magnesium Sulfate

mgso4

846

C₃H₂O₃

vinylene carbonate

vica

847

C₂H₂O₄

Oxalic Acid

oxalic

848

C₄H₄O₂

2(5H)-Furanone

furanone

849

C₂H₄N₂S₂

Ethanedithioamide

c79403

850

C₂H₄CO₃

Ethylene carbonate

etco3

851

C₂H₄O₄

Formic acid dimer

fadimer

852

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

853

C₅H₆O

2H-Pyran

pyran2

854

C₅H₆O

2-methylfuran

furan2m

855

C₅H₆O

3-Methylfuran

furan3m

856

C₅H₆O

Pentadienal

pdal

857

C₄H₆O₂

Crotonic Acid

crot

858

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

859

C₅H₈O

Cyclopentanone

c120923

860

C₅H₈O

Methyl cyclopropyl ketone

c765435

861

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

862

C₄H₈O₂

Ethyl acetate

c141786

863

C₅H₁₀O

2-methylbutyraldehyde

2meba

864

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

865

C₄F₂

difluorobutadiyne

c4f2

866

ClCOClCO

Oxalyl chloride

oxcl

867

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

868

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

869

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

870

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

871

CFClCClF

trans-1,2-dichloro-1,2-difluoroethylene

cfclcclf

872

CFClCFCl

cis-1,2-dichloro-1,2-difluoroethylene

cfclcfcl

873

C₂FCl₃

fluorotrichloroethene

c2fcl3

874

C₂Br₄

tetrabromoethene

c2br4

875

SiF₅^-

silicon pentafluoride anion

sif5-

876

SOF₄

Sulfur tetrafluoride oxide

sof4

877

SF₅

Sulfur pentafluoride

sf5

878

SF₅⁺

pentafluoro sulfur cation

sf5+

879

SbCl₅

Antimony pentachloride

sbcl5

880

IF₅

pentafluoroiodine

if5

881

CF₃CHO

trifluoroacetaldehyde

cf3cho

882

CCl₃CHO

trichloroacetaldehyde

ccl3cho

883

CHFClCHClF

ethane, 1,2-dichloro-1,2-difluoro-

chfclchclf

884

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

885

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

886

CHFClCHFCl

1,2-dichloro-1,2-difluoroethane RR

chfclchfcl

887

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

888

CHCl₂CHCl₂

Ethane, 1,1,2,2-tetrachloro-

chcl2chcl2

889

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

890

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

891

CF₃COOH

trifluoroacetic acid

cf3cooh

892

C₄H₃ClO

Furan, 2-chloro

fur2cl

893

C₄H₃ClO

Furan,3-chloro

fur3cl

894

C₄H₈Cl₂

Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-

c2211678

895

C₄H₈O₂

Butanoic acid

bua

896

C₇H₇

cycloheptatrienyl radical

c7h7

897

C₇H₈

cycloheptatriene

cht

898

C₇H₈

Quadricyclane

qucy

899

C₇H₁₄

cycloheptane

c7h14

900

CH(CN)₃

tricyanomethane

mecn3

901

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

902

C₆H₇N

2-Methylpyridine

903

C₆H₁₃N

2-Methylpiperidine

pip2m

904

C₆H₁₃N

cyclohexanamine

cham

905

C₆H₁₅N

triethylamine

tea

906

C₄H₂O₃

Maleic Anhydride

malan

907

C₆H₅O

phenoxy radical

phenoxy

908

C₆H₆O

2,5-Cyclohexadienone

c5664335

909

C₆H₅SH

Benzenethiol

phsh

910

HO₂CCHNH₂CH₂OH

Serine

serine

911

C₄H₈O₂S

Sulfolane

sulfolane

912

C₇H₁₀

Norbornene

norbornene

913

CH(C₂H₃)₃

trivinyl methane

tvm

914

C₆H₁₂O

hexanal

c6h12o

915

C₆H₁₂O

Oxepane

oxepane

916

C₃H₇OC₃H₇

di-n-propyl ether

propr

917

F₂CCCF₂

tetrafluoroallene

pfa

918

CF₃COO^-

trifluoro acetate anion

cf3coo-

919

CF₃COF

trifluoroacetyl fluoride

cf3cof

920

CF₃COCl

trifluoroacetyl chloride

cf3cocl

921

PF₆

Hexafluorophosphate neutral

pf6

922

PF₆^-

Hexafluorophosphate ion

pf6-

923

SeF₆

Selenium hexafluoride

sef6

924

SF₅Cl

sulfur chloropentafluoride

sf5cl

925

CF₃CHF₂

pentafluoroethane

cf3chf2

926

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

927

CF₃CHCl₂

1,1-Dichloro-2,2,2-trifluoroethane

cf3chcl2

928

CHCl₂CClF₂

Ethane, 1,2,2-trichloro-1,1-difluoro-

chcl2cclf2

929

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

930

C₈H₆

Calicene

calicene

931

C₈H₆

benzocyclobutadiene

bcbd

932

C₈H₆

Pentalene

pentalene

933

CH₃C₆H₄CH₃

meta-xylene

mxylene

934

CH₃C₆H₄CH₃

paraxylene

pxylene

935

C₈H₁₆

cyclooctane

cyclooct

936

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

937

C₄O₄^--

squarate dianion

c4o4--

938

S₄N₄

Tetrasulfur tetranitride

s4n4

939

C₄H₄N₂O₂

Uracil

uracil

940

C₅H₉NO₂

Proline

proline

941

C₆H₁₂O₂

Methyl pivalate

c598981

942

C₆H₁₂O₂

Hexanoic acid

hexa

943

C₄F₄

tetrafluorcyclobutadiene

c4f4

944

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

945

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

946

CF₂ClCF₂Cl

1,2-Dichloro-1,1,2,2-tetrafluoroethane

cf2clcf2cl

947

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

948

CF₂ClCFCl₂

Ethane, 1,1,2-trichloro-1,2,2-trifluoro-

cf2clcfcl2

949

CF₃CCl₃

1,1,1-trifluoro-2,2,2-trichloroethane

cf3ccl3

950

C₂Cl₆

hexachloroethane

c2cl6

951

IF₇

Iodine heptafluoride

if7

952

C₆H₄F₂

metadifluorobenzene

mdfb

953

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

954

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

955

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

956

C₆H₅NO

nitrosobenzene

bzno

957

C₉H₈

Indene

indene

958

C₉H₈

spiro[4.4]nona-1,3,6,8-tetraene

snt

959

C₉H₁₂

n-propyl benzene

prbz

960

C₉H₂₀

Nonane

nonane

961

C(CN)₄

tetracyanomethane

c5n4

962

C₅H₄N₄

purine

963

C₈H₇N

Indole

indole

964

C₃H₃N₃O₃

cyanuric acid

cyanuric

965

CH₃COC₆H₅

acetophenone

acph

966

C₃Cl₃N₃

1,3,5-Triazine, 2,4,6-trichloro-

c3cl3n3

967

C₃F₆

hexafluoropropene

c3f6

968

C₆H₃F₃

Benzene trifluoride 123

bzf3a

969

C₈H₁₈O

1-Octanol

octanol

970

C₁₀H₈

Azulene

azu

971

C₁₀H₁₀

bullvalene

bullv

972

C₆N₄

Tetracyanoethylene

tcne

973

C₆N₄^-

tetracyanoethylene anion

tcne-

974

C₁₀H₂₂

Decane

decane

975

C₄F₆

perfluorobutadiene

c4f6

976

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

977

C₃F₈

perfluoropropane

c3f8

978

Fe(CO)₅

Iron pentacarbonyl

ipc

979

Fe(C₅H₅)₂

ferrocene

fecp2

980

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

981

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

982

C₁₂H₈

Acenaphthylene

acenaph

983

C₁₂H₈

biphenylene

biph

984

C₁₂H₁₀

Heptalene

heptalene

985

C₆H₁₂O₆

Inositol

inositol

986

C₆F₆

hexafluorobenzene

c6f6

987

S₂F₁₀

disulphur decafluoride

s2f10

988

C₁₃H₁₀

Fluorene

fluorene

989

C₁₄H₁₀

Phenanthrene

phenanthrene

990

C₁₄H₁₄

Bibenzyl

bibenzyl

991

C₁₂H₁₀N₂

azobenzene

992

C₆H₅COC₆H₅

benzophenone

993

C₁₆H₁₀

Pyrene

pyrene

994

C₁₈H₁₂

Tetracene

tetracene

995

C₁₉H₁₆

Triphenylmethane

tpm

996

C₂₄H₁₂

Coronene

coronene

997

C₆₀

Buckminsterfullerene

c60

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
	Home All data for one species Geometry Experimental Experimental Geometries Same bond/angle many molecules Internal Coordinates by type Bond angles Calculated Calculated geometry Rotational constant Moments of inertia Products of moments of inertia BSE Bond lengths Show me a calculated geometry Comparisons Bonds, angles Rotational Constants Products of moments of inertia Point group Bad Calculations Bad moment of inertia Tutorials and Explanations Angle formulas Vibrations Experimental Vibrational frequencies Calculated Frequencies Scale factors Reactions Entropies Ions List Ions Energy Calculated Ionization Energy Compare Ionzation energy Electron Affinity Calculated Electron affinity Compare Electron affinity Proton Affinity Calculated Proton affinity Compare Proton affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Enthalpy of formation Entropy Integrated Heat Capacity Heat Capacity Rotational Constants Vibrational Frequencies Dipole moment Ionization Energy Polarizability Quadrupole Point Groups Geometry Experimental Geometries Internal Coordinates by type Bond angles Rotational Constants Point Groups Diatomic bond lengths Vibrations Vibrational frequencies Diatomic Triatomics Energy Atomization Energy Internal Rotation Electrostatics Dipole Quadrupole Polarizability Reference Data Reference states Spin Splittings Molecules with good enthalpy Enthalpy at 0 Kelvin Calculated Energy Optimized Energy Energy 298K Minimum conformation Hydrogen bonds H bond with counterpoise Reaction Reaction Energy 0K Reaction Energy 298K Internal Rotation Barriers to internal rotation Rotational barrier and dipole Rotational Barrier 2 molecules Orbital HOMO LUMO gap HOMO Orbital Energies Nuclear repulsion energy Correlation Full vs Frozen core energies Partial correlation energies Ion Calculated Ionization Energy Vertical ionization Energy Calculated Electron affinity Calculated Proton affinity Atom charge differences Excited State Singlet triplet gap Electronic state Transition state Basis Set Extrapolation BSE energy BSE Bond lengths Geometry Calculated geometry AIM bond orders One type of bond Rotation Rotational constant Products of moments of inertia Moments of inertia Inertial defects Second moments Point group State symmetry <r2> Sorted by r2 Z-matrix Bad Calculations Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Frequencies Animated vibrations Anharmonic Zero point energy (ZPE) Scale Factors Scale factors Scale factor uncertainty Calculate a scale factor Why scale vibrations Set scaling factors Bad Calculations Bad Vib. 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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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