CCCBDB List of Species with completed calculations

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List of which calculations are completed at QCISD(TQ) /cc-pVQZ

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count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
3	He	Helium atom	¹S	K_h
4	He	Helium atom
5	Li	Lithium atom	²S	K_h
6	MgH	magnesium monohydride	²Σ	C_∞v
7	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
8	B	Boron atom	²P	K_h
9	Al^-	Aluminum atom anion	³P	K_h
10	Sc	Scandium atom	²D	K_h
11	Sc⁺	Scandium cation	³D	K_h
12	BH	Boron monohydride	¹Σ	C_∞v
13	ScH	Scandium monohydride	¹Σ	C_∞v
14	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
15	BH₃⁺	boron trihydride cation	²B₂	C_2v
16	BH₃⁺	boron trihydride cation		C_2v
17	AlH₃	aluminum trihydride	¹A₁^'	D_3h
18	AlH₃^-	aluminum trihydride anion		C_3v
19	ScH₃	Scandium trihydride	¹A₁^'	D_3h
20	ScH₃	Scandium trihydride	¹A₁	C_3v
21	BH₄	borohydride	²B₂	C_2v
22	BH₄^-	borohydride anion	¹A₁	T_d
23	C	Carbon atom	³P₀	K_h
24	C	Carbon atom	³P₁	K_h
25	C^-	Carbon atom anion	²D	K_h
26	Si	Silicon atom	¹S	K_h
27	Si^-	Silicon atom anion	⁴S	K_h
28	SiH	Silylidyne	²Π	C_∞v
29	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
30	GeH	germylidene	²Π	C_∞v
31	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
32	CH₂	Methylene	³B₁	C_2v
33	CH₂	Methylene	³Σ_G	D_∞h
34	CH₂	Methylene	¹A₁	C_2v
35	CH₂^-	methylene anion	²B₁	C_2v
36	CH₂⁺	methylene cation	²A₁	C_2v
37	CH₂⁺	methylene cation	²Π	D_∞h
38	GeH₂	germylene	¹A₁	C_2v
39	CH₃	Methyl radical	²A₁	D_3h
40	CH₃^-	methyl anion	¹A₁	C_3v
41	CH₃⁺	methyl cation	¹A₁^'	D_3h
42	SiH₃	Silyl radical	²A₁	C_3v
43	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
44	CH₄	Methane	¹A₁	T_d
45	CH₄^-	Methane anion	²A₁	T_d
46	CH₄^-	Methane anion	²A₁	C_3v
47	SiH₂D₂	silane-d2
48	SiH₄	Silane	¹A₁	T_d
49	GeH₄	Germane	¹A₁	T_d
50	SiH₅⁺	Silane, protonated
51	N	Nitrogen atom	⁴S	K_h
52	N	Nitrogen atom	²D	K_h
53	P	Phosphorus atom	⁴S	K_h
54	V	Vanadium atom	⁴F	K_h
55	V⁺	Vanadium atom cation	⁵D	K_h
56	As	Arsenic atomic	⁴S	K_h
57	As^-	Arsenic anion	³P	K_h
58	As⁺	Arsenic cation	³P	K_h
59	PH	phosphorus monohydride	³Σ^-	C_∞v
60	NH₂	Amino radical	²B₁	C_2v
61	NH₂⁺	Amino cation	³B₁	C_2v
62	NH₂⁺	Amino cation	¹A₁	C_2v
63	NH₃	Ammonia	¹A₁	C_3v
64	NH₃^-	Ammonia anion	²A₁	C_3v
65	NH₃⁺	ammonia cation	²A₂^"	D_3h
66	PH₃	Phosphine	¹A₁	C_3v
67	PH₃⁺	Phosphine cation	²A₁	C_3v
68	NH₄⁺	ammonium cation	¹A₁	T_d
69	PH₄	Phosphoranyl radical
70	PH₄⁺	phosphonium cation
71	O	Oxygen atom	³S	K_h
72	O⁺	Oxygen atom cation	⁴S	K_h
73	S	Sulfur atom	³P	K_h
74	S^-	Sulfur atom anion	²P	K_h
75	S⁺	Sulfur atom cation	⁴S	K_h
76	OH	Hydroxyl radical	²Π	C_∞v
77	OH^-	hydroxide anion	¹Σ	C_∞v
78	OH⁺	hydoxyl cation	³Σ	C_∞v
79	HS	Mercapto radical	²Π	C_∞v
80	HS^-	mercapto anion	¹Σ	C_∞v
81	HS⁺	sulfur monohydride cation	³Σ	C_∞v
82	HSe⁺	selenium monohydride cation	³Σ	C_∞v
83	H₂O	Water	¹A₁	C_2v
84	H₂O^-	water anion	²A₁	C_2v
85	H₂O^-	water anion	²A^'	C_s
86	H₂O⁺	water cation	²B₁	C_2v
87	HDO	Water-d1	¹A₁	C_2v
88	H₂S	Hydrogen sulfide	¹A₁	C_2v
89	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
90	H₂Se	Hydrogen selenide	¹A₁	C_2v
91	H₃O⁺	hydronium cation	¹A₁	C_3v
92	H₃S⁺	Sulfonium cation	¹A₁	C_3v
93	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
94	F	Fluorine atom	²P	K_h
95	F^-	Fluorine atom anion	¹S	K_h
96	F⁺	Fluorine atom cation	³S	K_h
97	F⁺	Fluorine atom cation	¹D	K_h
98	Cl	Chlorine atom	²P	K_h
99	Cl^-	Chlorine atom anion	¹S	K_h
100	Cl⁺	Chlorine atom cation	³P	K_h
101	Cl⁺	Chlorine atom cation	¹D	K_h
102	HF	Hydrogen fluoride	¹Σ	C_∞v
103	HCl	Hydrogen chloride	¹Σ	C_∞v
104	HCl⁺	hydrogen chloride cation	²Π	C_∞v
105	HBr	hydrogen bromide	¹Σ	C_∞v
106	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
107	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
108	Ne	Neon atom	¹S	K_h
109	Ne	Neon atom
110	Ne⁺	Neon atom cation	²P	K_h
111	Ar	Argon atom	¹S	K_h
112	Kr	Krypton atom	¹S	K_h
113	Kr⁺	Krypton cation	²P	K_h
114	ArH⁺	Argon hydride cation	¹Σ	C_∞v
115	KrH⁺	Protonated Krypton	¹Σ	C_∞v
116	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
117	Na₂	Sodium diatomic	¹Σ_g	D_∞h
118	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
119	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
120	BeMg	Beryllium Magnesium	¹Σ	C_∞v
121	NaAl	Sodium aluminum	¹Σ	C_∞v
122	BeB	Beryllium monoboride	²Π	C_∞v
123	B₂	Boron diatomic	¹Σ_g	D_∞h
124	B₂⁺	Boron diatomic cation	²Π	D_∞h
125	BAl	Boron Aluminum	³Σ	C_∞v
126	BGa	Boron Gallium	³Σ	C_∞v
127	AlGa	Aluminum Gallium	³Σ	C_∞v
128	AlGa	Aluminum Gallium	¹Σ	C_∞v
129	Ga₂	Gallium diatomic	³P_iu
130	HBBH	Diborane(2)	³Σ_G	D_∞h
131	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
132	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
133	B₂H₆	Diborane	¹A_g	D_2h
134	B₂H₆⁺	Diborane cation
135	BeC	Beryllium Carbide	³Σ^-	C_∞v
136	BeC	Beryllium Carbide
137	CaC	Calcium monocarbide
138	AlC	Aluminum carbide	⁴Σ	C_∞v
139	BSi	Boron silicide	⁴Σ	C_∞v
140	BSi	Boron silicide	²Σ	C_∞v
141	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
142	C₂	Carbon diatomic	³Σ_g^-
143	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
144	SiGe	Silicon Germanium
145	C₂H	Ethynyl radical	²Σ	C_∞v
146	C₂H^-	Ethynyl anion	¹Σ	C_∞v
147	C₂H₂	Acetylene	¹Σ_g	D_∞h
148	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
149	H₂CC^-	vinylidene anion
150	CH₃Li	methyl lithium	¹A₁	C_3v
151	CH₂BH	methyleneborane	¹A₁	C_2v
152	C₂H₄	Ethylene	¹A_g	D_2h
153	C₂H₄⁺	Ethylene cation	²B₃	D₂
154	CH₃BH₂	methylborane	¹A^'	C_s
155	C₂H₅	Ethyl radical	²A^'	C_s
156	C₂H₆	Ethane	¹A_1g	D_3d
157	LiP	Lithium monophosphide
158	LiP	Lithium monophosphide
159	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
160	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
161	MgN	Magnesium Nitride
162	BP	Boron monophosphide	³Π	C_∞v
163	BP	Boron monophosphide	¹Σ	C_∞v
164	AlP	Aluminum monophosphide	³Σ	C_∞v
165	AlP	Aluminum monophosphide	³Π	C_∞v
166	AlP	Aluminum monophosphide	¹Σ	C_∞v
167	GaN	Gallium mononitride	¹Σ	C_∞v
168	GaP	Gallium monophosphide	³Σ	C_∞v
169	GaP	Gallium monophosphide	¹Σ	C_∞v
170	GaAs	Gallium arsenide	³Π
171	GaAs	Gallium arsenide	¹Σ
172	BN	boron nitride	³Π	C_∞v
173	BN	boron nitride	¹Σ	C_∞v
174	CN	Cyano radical	²Σ	C_∞v
175	CN^-	cyanide anion	¹Σ	C_∞v
176	SiP	Silicon monophosphide	²Π	C_∞v
177	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
178	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
179	HCN	Hydrogen cyanide	¹Σ	C_∞v
180	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
181	HNC⁺	hydrogen isocyanide cation
182	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
183	N₂H₂	(Z)-Diazene	¹A₁	C_2v
184	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
185	BH₃PH₃	borane phosphine
186	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
187	LiO	lithium oxide	²Σ	C_∞v
188	LiS	Lithium monosulfide	²Π	C_∞v
189	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
190	NaO	sodium monoxide	²Σ	C_∞v
191	NaS	Sodium sulfide	²Π	C_∞v
192	BO	boron monoxide	²Σ	C_∞v
193	ScO	Scandium monoxide	²Σ	C_∞v
194	CO	Carbon monoxide	¹Σ	C_∞v
195	CO^-	carbon monoxide anion	²Π	C_∞v
196	CO⁺	carbon monoxide cation	²Σ	C_∞v
197	TiO	Titanium monoxide	³Δ	C_∞v
198	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
199	GeS	Germanium monosulfide	¹Σ	C_∞v
200	SiSe	Silicon Monoselenide
201	SiSe⁺	Silicon Monoselenide cation
202	NO	Nitric oxide	²Π	C_∞v
203	NO^-	nitric oxide anion	³Σ	C_∞v
204	NO⁺	nitric oxide cation	¹Σ	C_∞v
205	NS	Mononitrogen monosulfide	²Π	C_∞v
206	PO	Phosphorus monoxide	²Π	C_∞v
207	PS	phosphorus sulfide	²Σ	C_∞v
208	VO	Vanadium monoxide	⁴Σ^-
209	NSe	Nitrogen monoselenide	²Π	C_∞v
210	AsS	Arsenic monosulfide	²Π	C_∞v
211	PSe	Phosphorus monoselenide	²Π	C_∞v
212	AsSe	Arsenic monoselenide	²Π	C_∞v
213	O₂	Oxygen diatomic	³Σ_g	D_∞h
214	O₂^-	oxygen diatomic anion	²Π	D_∞h
215	SO⁺	sulfur monoxide cation	²Π	C_∞v
216	S₂	Sulfur diatomic	³Σ_g	D_∞h
217	LiOH	lithium hydroxide	¹Σ	C_∞v
218	BeOH	beryllium monohydroxide	²Σ	C_∞v
219	HBO	Boron hydride oxide	¹Σ	C_∞v
220	COH	Hydroxymethylidyne
221	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
222	HCO^-	formyl anion	¹A^'	C_s
223	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
224	NOH	Hydroxyimidogen	³A^"	C_s
225	NOH⁺	O-protonated nitric oxide	²A^'	C_s
226	HO₂	Hydroperoxy radical	²A^"	C_s
227	HO₂⁺	Hydroperoxy cation	³A^"	C_s
228	HSO⁺	Sulfur Monoxide, S-protonated
229	SOH⁺	Sulfur Monoxide, protonated
230	H₂CO	Formaldehyde	¹A₁	C_2v
231	H₂CO^-	formaldehyde anion	²A^'	C_s
232	H₂CO⁺	formaldehyde cation	²B₂	C_2v
233	H₂NO	nitroxide	²B₁	C_2v
234	H₂NO	nitroxide	²A^'	C_s
235	H₂O₂	Hydrogen peroxide	¹A	C₂
236	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
237	H₂S₂	Disulfane	¹A	C₂
238	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
239	CH₂OH	Hydroxymethyl radical	²A	C₁
240	CH₃O⁺	Methoxy cation	³A₁	C_3v
241	NH₂OH	hydroxylamine	¹A^'	C_s
242	H₂OH₂O	water dimer	¹A^'	C_s
243	LiCl	lithium chloride	¹Σ	C_∞v
244	NaF	sodium fluoride	¹Σ	C_∞v
245	NaCl	Sodium Chloride	¹Σ	C_∞v
246	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
247	BF	Boron monofluoride	¹Σ	C_∞v
248	ScF	Scandium monofluoride	¹Σ	C_∞v
249	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
250	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
251	CF	Fluoromethylidyne	²Π	C_∞v
252	SiF	silicon monofluoride	²Π	C_∞v
253	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
254	CBr	Carbon monobromide	²Π	C_∞v
255	SiBr	Silicon monobromide	²Π	C_∞v
256	NCl	nitrogen monochloride	³Σ	C_∞v
257	AsF	Arsenic monofluoride	³Σ	C_∞v
258	AsCl	Arsenic monochloride	³Σ	C_∞v
259	FO	Oxygen monofluoride	²Π	C_∞v
260	SF	Monosulfur monofluoride	²Π	C_∞v
261	SeF	Selenium monofluoride	²Π	C_∞v
262	SeCl	Selenium monochloride	²Π	C_∞v
263	F₂	Fluorine diatomic	¹Σ_g	D_∞h
264	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
265	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
266	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
267	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
268	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
269	HCF	Fluoromethylene	¹A^'	C_s
270	HCF	Fluoromethylene	³A^"	C_s
271	HOCl⁺	hypochlorous acid cation
272	ClFH⁺	Chlorine fluoride, F-protonated
273	FClH⁺	Chlorine fluoride, Cl-protonated
274	CH₂F	fluoromethyl radical	²A	C_s
275	CH₃F	Methyl fluoride	¹A₁	C_3v
276	CH₃Cl	Methyl chloride	¹A₁	C_3v
277	LiNe⁺	Lithium Neon cation
278	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
279	Ar₂	Argon diatomic	¹S_g	D_∞h
280	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
281	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
282	C₃	carbon trimer	¹Σ_g	D_∞h
283	C₃	carbon trimer	¹A₁	C_2v
284	LiCN	lithium cyanide	¹Σ	C*V LiCN
285	LiCN	lithium cyanide	¹A^'	C_s
286	LiCN	lithium cyanide	¹Σ	C*V LiNC
287	NaCN	Sodium Cyanide	¹Σ	C_∞v
288	NaCN	Sodium Cyanide	¹A	C_s
289	N₃	azide radical	²Π_g	D_∞h
290	N₃⁺	azide cation	³Σ_g	D_∞h
291	Li₂O	dilithium oxide	¹Σ_g	D_∞h
292	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
293	Li₂S	dilithium sulfide	¹A₁	C_2v
294	Na₂O	disodium monoxide	¹Σ_g	Linear
295	CCO	Dicarbon monoxide	³Σ	C_∞v
296	CCO	Dicarbon monoxide	¹Π	C_∞v
297	NCO	isocyanato radical	²Π	C_∞v
298	N₂O	Nitrous oxide	¹Σ	C_∞v
299	N₂O^-	Nitrous oxide anion	²A^'	C_s
300	CO₂	Carbon dioxide	¹Σ_g	D_∞h
301	OCS	Carbonyl sulfide	¹Σ	C_∞v
302	TiO₂	Titanium dioxide	¹A₁	C_2v
303	NO₂	Nitrogen dioxide	²A₁	C_2v
304	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
305	O₃	Ozone	¹A₁	C_s
306	S₃	Sulfur trimer	¹A₁	C_2v
307	O₃H⁺	protonated ozone	¹A^'	C_s
308	Be(OH)₂	Beryllium hydroxide
309	H₂COO	Dioxymethyl radical	²A^'	C_s
310	HCOOH	Formic acid	¹A^'	C_s
311	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
312	FCO	Carbonyl fluoride	²A^'	C_s
313	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
314	BF₂	Boron difluoride radical	²A₁	C_2v
315	FSN	Thiazyl fluoride	¹A^'	C_s
316	CF₂	Difluoromethylene	¹A₁	D_∞h
317	OClO^-	Chlorine dioxide anion	¹A^'	C_s
318	C₄H₄	Tetrahedrane
319	Li₃N	trilithium nitride	¹A^'	D_3h
320	C₂N₂	Cyanogen	¹Σ_g	D_∞h
321	C₃O	Tricarbon monoxide	¹Σ	C_∞v
322	ONNO	NO dimer	¹A_g	trans C2H

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

Helium atom

¹S

K_h

Helium atom

Lithium atom

²S

K_h

MgH

magnesium monohydride

²Σ

C_∞v

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Boron atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Scandium atom

²D

K_h

Sc⁺

Scandium cation

³D

K_h

Boron monohydride

¹Σ

C_∞v

ScH

Scandium monohydride

¹Σ

C_∞v

GaH⁺

Gallium monohydride cation

²Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

ScH₃

Scandium trihydride

¹A₁^'

D_3h

ScH₃

Scandium trihydride

¹A₁

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Carbon atom

³P₁

K_h

C^-

Carbon atom anion

²D

K_h

Silicon atom

¹S

K_h

Si^-

Silicon atom anion

⁴S

K_h

SiH

Silylidyne

²Π

C_∞v

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

GeH

germylidene

²Π

C_∞v

GeH⁺

Germaniun monohyrdide cation

¹Σ

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂

Methylene

¹A₁

C_2v

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

GeH₂

germylene

¹A₁

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 cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄^-

Methane anion

²A₁

T_d

CH₄^-

Methane anion

²A₁

C_3v

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

K_h

Phosphorus atom

⁴S

K_h

Vanadium atom

⁴F

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

Oxygen atom

³S

K_h

O⁺

Oxygen atom cation

⁴S

K_h

Sulfur atom

³P

K_h

S^-

Sulfur atom anion

²P

K_h

S⁺

Sulfur atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

Mercapto radical

²Π

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

H₂O

Water

¹A₁

C_2v

H₂O^-

water anion

²A₁

C_2v

H₂O^-

water anion

²A^'

C_s

H₂O⁺

water cation

²B₁

C_2v

HDO

Water-d1

¹A₁

C_2v

H₂S

Hydrogen sulfide

¹A₁

C_2v

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₃O⁺

hydronium cation

¹A₁

C_3v

H₃S⁺

Sulfonium cation

¹A₁

C_3v

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

Fluorine atom

²P

K_h

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

Cl^-

Chlorine atom anion

¹S

K_h

100

Cl⁺

Chlorine atom cation

³P

K_h

101

Cl⁺

Chlorine atom cation

¹D

K_h

102

Hydrogen fluoride

¹Σ

C_∞v

103

HCl

Hydrogen chloride

¹Σ

C_∞v

104

HCl⁺

hydrogen chloride cation

²Π

C_∞v

105

HBr

hydrogen bromide

¹Σ

C_∞v

106

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

107

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

108

Neon atom

¹S

K_h

109

Neon atom

110

Ne⁺

Neon atom cation

²P

K_h

111

Argon atom

¹S

K_h

112

Krypton atom

¹S

K_h

113

Kr⁺

Krypton cation

²P

K_h

114

ArH⁺

Argon hydride cation

¹Σ

C_∞v

115

KrH⁺

Protonated Krypton

¹Σ

C_∞v

116

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

117

Na₂

Sodium diatomic

¹Σ_g

D_∞h

118

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

119

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

120

BeMg

Beryllium Magnesium

¹Σ

C_∞v

121

NaAl

Sodium aluminum

¹Σ

C_∞v

122

BeB

Beryllium monoboride

²Π

C_∞v

123

B₂

Boron diatomic

¹Σ_g

D_∞h

124

B₂⁺

Boron diatomic cation

²Π

D_∞h

125

BAl

Boron Aluminum

³Σ

C_∞v

126

BGa

Boron Gallium

³Σ

C_∞v

127

AlGa

Aluminum Gallium

³Σ

C_∞v

128

AlGa

Aluminum Gallium

¹Σ

C_∞v

129

Ga₂

Gallium diatomic

³P_iu

130

HBBH

Diborane(2)

³Σ_G

D_∞h

131

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

132

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

133

B₂H₆

Diborane

¹A_g

D_2h

134

B₂H₆⁺

Diborane cation

135

BeC

Beryllium Carbide

³Σ^-

C_∞v

136

BeC

Beryllium Carbide

137

CaC

Calcium monocarbide

138

AlC

Aluminum carbide

⁴Σ

C_∞v

139

BSi

Boron silicide

⁴Σ

C_∞v

140

BSi

Boron silicide

²Σ

C_∞v

141

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

142

C₂

Carbon diatomic

³Σ_g^-

143

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

144

SiGe

Silicon Germanium

145

C₂H

Ethynyl radical

²Σ

C_∞v

146

C₂H^-

Ethynyl anion

¹Σ

C_∞v

147

C₂H₂

Acetylene

¹Σ_g

D_∞h

148

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

149

H₂CC^-

vinylidene anion

150

CH₃Li

methyl lithium

¹A₁

C_3v

151

CH₂BH

methyleneborane

¹A₁

C_2v

152

C₂H₄

Ethylene

¹A_g

D_2h

153

C₂H₄⁺

Ethylene cation

²B₃

D₂

154

CH₃BH₂

methylborane

¹A^'

C_s

155

C₂H₅

Ethyl radical

²A^'

C_s

156

C₂H₆

Ethane

¹A_1g

D_3d

157

LiP

Lithium monophosphide

158

LiP

Lithium monophosphide

159

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

160

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

161

MgN

Magnesium Nitride

162

Boron monophosphide

³Π

C_∞v

163

Boron monophosphide

¹Σ

C_∞v

164

AlP

Aluminum monophosphide

³Σ

C_∞v

165

AlP

Aluminum monophosphide

³Π

C_∞v

166

AlP

Aluminum monophosphide

¹Σ

C_∞v

167

GaN

Gallium mononitride

¹Σ

C_∞v

168

GaP

Gallium monophosphide

³Σ

C_∞v

169

GaP

Gallium monophosphide

¹Σ

C_∞v

170

GaAs

Gallium arsenide

³Π

171

GaAs

Gallium arsenide

¹Σ

172

boron nitride

³Π

C_∞v

173

boron nitride

¹Σ

C_∞v

174

Cyano radical

²Σ

C_∞v

175

CN^-

cyanide anion

¹Σ

C_∞v

176

SiP

Silicon monophosphide

²Π

C_∞v

177

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

178

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

179

HCN

Hydrogen cyanide

¹Σ

C_∞v

180

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

181

HNC⁺

hydrogen isocyanide cation

182

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

183

N₂H₂

(Z)-Diazene

¹A₁

C_2v

184

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

185

BH₃PH₃

borane phosphine

186

NH₃NH₃

Ammonia Dimer

¹A_g

C_2h

187

LiO

lithium oxide

²Σ

C_∞v

188

LiS

Lithium monosulfide

²Π

C_∞v

189

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

190

NaO

sodium monoxide

²Σ

C_∞v

191

NaS

Sodium sulfide

²Π

C_∞v

192

boron monoxide

²Σ

C_∞v

193

ScO

Scandium monoxide

²Σ

C_∞v

194

Carbon monoxide

¹Σ

C_∞v

195

CO^-

carbon monoxide anion

²Π

C_∞v

196

CO⁺

carbon monoxide cation

²Σ

C_∞v

197

TiO

Titanium monoxide

³Δ

C_∞v

198

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

199

GeS

Germanium monosulfide

¹Σ

C_∞v

200

SiSe

Silicon Monoselenide

201

SiSe⁺

Silicon Monoselenide cation

202

Nitric oxide

²Π

C_∞v

203

NO^-

nitric oxide anion

³Σ

C_∞v

204

NO⁺

nitric oxide cation

¹Σ

C_∞v

205

Mononitrogen monosulfide

²Π

C_∞v

206

Phosphorus monoxide

²Π

C_∞v

207

phosphorus sulfide

²Σ

C_∞v

208

Vanadium monoxide

⁴Σ^-

209

NSe

Nitrogen monoselenide

²Π

C_∞v

210

AsS

Arsenic monosulfide

²Π

C_∞v

211

PSe

Phosphorus monoselenide

²Π

C_∞v

212

AsSe

Arsenic monoselenide

²Π

C_∞v

213

O₂

Oxygen diatomic

³Σ_g

D_∞h

214

O₂^-

oxygen diatomic anion

²Π

D_∞h

215

SO⁺

sulfur monoxide cation

²Π

C_∞v

216

S₂

Sulfur diatomic

³Σ_g

D_∞h

217

LiOH

lithium hydroxide

¹Σ

C_∞v

218

BeOH

beryllium monohydroxide

²Σ

C_∞v

219

HBO

Boron hydride oxide

¹Σ

C_∞v

220

COH

Hydroxymethylidyne

221

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

222

HCO^-

formyl anion

¹A^'

C_s

223

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

224

NOH

Hydroxyimidogen

³A^"

C_s

225

NOH⁺

O-protonated nitric oxide

²A^'

C_s

226

HO₂

Hydroperoxy radical

²A^"

C_s

227

HO₂⁺

Hydroperoxy cation

³A^"

C_s

228

HSO⁺

Sulfur Monoxide, S-protonated

229

SOH⁺

Sulfur Monoxide, protonated

230

H₂CO

Formaldehyde

¹A₁

C_2v

231

H₂CO^-

formaldehyde anion

²A^'

C_s

232

H₂CO⁺

formaldehyde cation

²B₂

C_2v

233

H₂NO

nitroxide

²B₁

C_2v

234

H₂NO

nitroxide

²A^'

C_s

235

H₂O₂

Hydrogen peroxide

¹A

C₂

236

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

237

H₂S₂

Disulfane

¹A

C₂

238

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

239

CH₂OH

Hydroxymethyl radical

²A

C₁

240

CH₃O⁺

Methoxy cation

³A₁

C_3v

241

NH₂OH

hydroxylamine

¹A^'

C_s

242

H₂OH₂O

water dimer

¹A^'

C_s

243

LiCl

lithium chloride

¹Σ

C_∞v

244

NaF

sodium fluoride

¹Σ

C_∞v

245

NaCl

Sodium Chloride

¹Σ

C_∞v

246

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

247

Boron monofluoride

¹Σ

C_∞v

248

ScF

Scandium monofluoride

¹Σ

C_∞v

249

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

250

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

251

Fluoromethylidyne

²Π

C_∞v

252

SiF

silicon monofluoride

²Π

C_∞v

253

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

254

CBr

Carbon monobromide

²Π

C_∞v

255

SiBr

Silicon monobromide

²Π

C_∞v

256

NCl

nitrogen monochloride

³Σ

C_∞v

257

AsF

Arsenic monofluoride

³Σ

C_∞v

258

AsCl

Arsenic monochloride

³Σ

C_∞v

259

Oxygen monofluoride

²Π

C_∞v

260

Monosulfur monofluoride

²Π

C_∞v

261

SeF

Selenium monofluoride

²Π

C_∞v

262

SeCl

Selenium monochloride

²Π

C_∞v

263

F₂

Fluorine diatomic

¹Σ_g

D_∞h

264

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

265

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

266

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

267

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

268

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

269

HCF

Fluoromethylene

¹A^'

C_s

270

HCF

Fluoromethylene

³A^"

C_s

271

HOCl⁺

hypochlorous acid cation

272

ClFH⁺

Chlorine fluoride, F-protonated

273

FClH⁺

Chlorine fluoride, Cl-protonated

274

CH₂F

fluoromethyl radical

²A

C_s

275

CH₃F

Methyl fluoride

¹A₁

C_3v

276

CH₃Cl

Methyl chloride

¹A₁

C_3v

277

LiNe⁺

Lithium Neon cation

278

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

279

Ar₂

Argon diatomic

¹S_g

D_∞h

280

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

281

Li₃⁺

Lithium trimer cation

¹A₁^'

D_3h

282

C₃

carbon trimer

¹Σ_g

D_∞h

283

C₃

carbon trimer

¹A₁

C_2v

284

LiCN

lithium cyanide

¹Σ

C*V LiCN

285

LiCN

lithium cyanide

¹A^'

C_s

286

LiCN

lithium cyanide

¹Σ

C*V LiNC

287

NaCN

Sodium Cyanide

¹Σ

C_∞v

288

NaCN

Sodium Cyanide

¹A

C_s

289

N₃

azide radical

²Π_g

D_∞h

290

N₃⁺

azide cation

³Σ_g

D_∞h

291

Li₂O

dilithium oxide

¹Σ_g

D_∞h

292

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

293

Li₂S

dilithium sulfide

¹A₁

C_2v

294

Na₂O

disodium monoxide

¹Σ_g

Linear

295

CCO

Dicarbon monoxide

³Σ

C_∞v

296

CCO

Dicarbon monoxide

¹Π

C_∞v

297

NCO

isocyanato radical

²Π

C_∞v

298

N₂O

Nitrous oxide

¹Σ

C_∞v

299

N₂O^-

Nitrous oxide anion

²A^'

C_s

300

CO₂

Carbon dioxide

¹Σ_g

D_∞h

301

OCS

Carbonyl sulfide

¹Σ

C_∞v

302

TiO₂

Titanium dioxide

¹A₁

C_2v

303

NO₂

Nitrogen dioxide

²A₁

C_2v

304

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

305

O₃

Ozone

¹A₁

C_s

306

S₃

Sulfur trimer

¹A₁

C_2v

307

O₃H⁺

protonated ozone

¹A^'

C_s

308

Be(OH)₂

Beryllium hydroxide

309

H₂COO

Dioxymethyl radical

²A^'

C_s

310

HCOOH

Formic acid

¹A^'

C_s

311

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

312

FCO

Carbonyl fluoride

²A^'

C_s

313

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

314

BF₂

Boron difluoride radical

²A₁

C_2v

315

FSN

Thiazyl fluoride

¹A^'

C_s

316

CF₂

Difluoromethylene

¹A₁

D_∞h

317

OClO^-

Chlorine dioxide anion

¹A^'

C_s

318

C₄H₄

Tetrahedrane

319

Li₃N

trilithium nitride

¹A^'

D_3h

320

C₂N₂

Cyanogen

¹Σ_g

D_∞h

321

C₃O

Tricarbon monoxide

¹Σ

C_∞v

322

ONNO

NO dimer

¹A_g

trans C2H

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 anion	h-
5	H⁺	Hydrogen atom cation	h+
6	D₂	Deuterium diatomic	d2
7	H₂	Hydrogen diatomic	h2
8	H₂⁺	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H₃⁺	hydrogen trimer cation	h3+
11	He^-	Helium atom anion	he-
12	He⁺	Helium atom cation	he+
13	HeH	Helium hydride	heh
14	HeH⁺	Helium hydride cation	heh+
15	He₂⁺	helium diatomic cation	he2+
16	Li^-	Lithium atom anion	li-
17	Li⁺	Lithium atom cation	li+
18	Na^-	Sodium atom anion	na-
19	Na⁺	Sodium atom cation	na+
20	K	Potassium atom	k
21	K^-	Potassium atom anion	k-
22	K⁺	Potassium atom cation	k+
23	Cu	Copper atom	cu
24	Cu^-	Copper atom anion	cu-
25	Cu⁺	Copper atom cation	cu+
26	LiH	Lithium Hydride	lih
27	LiH^-	lithium hydride anion	lih-
28	LiH⁺	lithium hydride cation	lih+
29	NaH	sodium hydride	nah
30	NaH^-	sodium hydride anion	nah-
31	NaH⁺	sodium hydride cation	nah+
32	KH	Potassium hydride	kh
33	KH⁺	Potassium hydrogen cation	kh+
34	CuH	Copper monohydride	cuh
35	Be^-	Beryllium atom anion	be-
36	Be⁺	Beryllium atom cation	be+
37	Mg^-	Magnesium atom anion	mg-
38	Mg⁺	Magnesium atom cation	mg+
39	Ca	Calcium atom	ca
40	Ca^-	Calcium atom anion	ca-
41	Ca⁺	Calcium atom cation	ca+
42	Zn	Zinc atom	zn
43	Zn^-	Zinc atom anion	zn-
44	Zn⁺	Zinc atom cation	zn+
45	BeH	beryllium monohydride	beh
46	BeH^-	berylium monohydride anion	beh-
47	BeH⁺	beryllium monohydride cation	beh+
48	MgH^-	magnesium monohydride anion	mgh-
49	MgH⁺	magnesium monohydride cation	mgh+
50	CaH	Calcium monohydride	cah
51	CaH⁺	Calcium monohydride cation	cah+
52	TiH	Titanium monohydride	tih
53	ZnH	Zinc monohydride	znh
54	ZnH⁺	Zinc, protonated	znh+
55	BeH₂	beryllium dihydride	beh2
56	BeH₂⁺	Beryllium dihydride cation	beh2+
57	CaH₂	Calcium Hydride	cah2
58	ZnH₂	Zinc hydride	znh2
59	B^-	Boron atom anion	b-
60	Al⁺	Aluminum atom cation	al+
61	Ga	Gallium atom	ga
62	Ga^-	Gallium atom anion	ga-
63	Ga⁺	Gallium atom cation	ga+
64	BH^-	boron monohydride anion	bh-
65	BH⁺	boron monohydride cation	bh+
66	AlH	aluminum monohydride	alh
67	AlH^-	aluminum monohydride anion	alh-
68	AlH⁺	aluminum monohydride cation	alh+
69	ScH⁺	Scandium monohydride cation	sch+
70	GaH	Gallium monohydride	gah
71	BH₂	boron dihydride	bh2
72	BH₂^-	boron dihydride anion	bh2-
73	BH₂⁺	Boron dihydride cation	bh2+
74	AlH₂	aluminum dihydride	alh2
75	AlH₂^-	aluminum dihydride anion	alh2-
76	AlH₂⁺	aluminum dihydride cation	alh2+
77	BH₃	boron trihydride	bh3
78	BH₃^-	boron trihydride anion	bh3-
79	AlH₃⁺	aluminum trihydride cation	alh3+
80	GaH₃	Gallium trihydride	gah3
81	AlH₄^-	Aluminum tetrahydride anion	alh4-
82	C^-	Carbon atom anion	c-
83	C⁺	Carbon atom cation	c+
84	Si⁺	Silicon atom cation	si+
85	Ti	Titanium atom	ti
86	Ti^-	Titanium atom anion	ti-
87	Ti⁺	Titanium atom cation	ti+
88	Ge	Germanium atom	ge
89	Ge^-	Germanium anion	ge-
90	Ge⁺	Germanium cation	ge+
91	Sn	Tin atom	sn
92	Sn⁺	Tin cation	sn+
93	CH	Methylidyne	ch
94	CH^-	methylidyne anion	ch-
95	CH⁺	Methylidyne cation	ch+
96	SiH^-	silicon monohydride anion	sih-
97	SiH₂	silicon dihydride	sih2
98	SiH₂^-	silicon dihydride anion	sih2-
99	SiH₂⁺	silicon dihydride cation	sih2+
100	GeH₂^-	germylene anion	geh2-
101	SiH₃^-	Silyl anion	sih3-
102	GeH₃	Germyl radical	geh3
103	GeH₃⁺	germyl cation	geh3+
104	CD₄	methane-d4	cd4
105	CH₂D₂	methane-d2	ch2d2
106	CH₃D	methane-d	ch3d
107	CH₄⁺	Methane cation	ch4+
108	CHD₃	methane-d3	chd3
109	SiH₄⁺	Silane cation	sih4+
110	SnH₄	Stannane	snh4
111	N^-	Nitrogen atom anion	n-
112	N⁺	Nitrogen atom cation	n+
113	P^-	Phosphorus atom anion	p-
114	P⁺	Phosphorus atom cation	p+
115	Sb	Antimony atom	sb
116	NH	Imidogen	nh
117	NH^-	Imidogen anion	nh-
118	NH⁺	imidogen cation	nh+
119	PH^-	phosphorus monohydride anion	ph-
120	PH⁺	phosphorus monohydride cation	ph+
121	AsH	Arsenic monohydride	ash
122	AsH⁺	Arsenic monohydride cation	ash+
123	SbH	Antimony monohydride	sbh
124	ND₂	Amidogen-d2	nd2
125	NH₂^-	amino anion	nh2-
126	PH₂	Phosphino radical	ph2
127	PH₂^-	Phosphino anion	ph2-
128	PH₂⁺	Phosphino cation	ph2+
129	AsH₂	Arsenic dihydride	ash2
130	AsH₂⁺	Arsenic dihydride cation	ash2+
131	ND₃	Ammonia-d3	nd3
132	AsH₃	Arsine	ash3
133	AsH₃⁺	Arsine cation	ash3+
134	SbH₃	Stibine	sbh3
135	AsH₄⁺	Arsonium	ash4+
136	NH₄	Ammonium radical	nh4
137	O^-	Oxygen atom anion	o-
138	Cr	Chromium atom	cr
139	Se	Selenium atom	se
140	Se^-	Selenium atom anion	se-
141	Se⁺	Selenium atom cation	se+
142	Te	Tellurium atom	te
143	Te⁺	Tellurium atom cation	te+
144	DO	Hydroxyl-d	od
145	DS	Mercapto-d	ds
146	CrH	Chromium hydride	crh
147	CrH⁺	Chromium hydride cation	crh+
148	HSe	Selenium monohydride	hse
149	HSe^-	selenium monohydride anion	hse-
150	TeH	Telluryl radical	teh
151	D₂O	Deuterium oxide	d2o
152	D₂S	Hydrogen sulfide-d2	d2s
153	H₂S^-	Hydrogen sulfide anion	h2s-
154	H₂Se⁺	Hydrogen selenide cation	h2se+
155	H₂Te	Hydrogen Telluride	h2te
156	Mn	Manganese atom	mn
157	Br	Bromine atom	br
158	Br^-	Bromine atom anion	br-
159	Br⁺	Bromine atom cation	br+
160	I	Iodine atom	iodine
161	I^-	Iodine atom anion	iodine-
162	I⁺	Iodine atom cation	iodine+
163	DF	Hydrofluoric acid-d	df
164	HF^-	hydrogen fluoride anion	hf-
165	HF⁺	hydrogen fluoride cation	hf+
166	DCl	Hydrochloric acid-d	dcl
167	HCl^-	hydrogen chloride anion	hcl-
168	HBr^-	hydrogen bromide anion	hbr-
169	HBr⁺	hydrogen bromide cation	hbr+
170	HI	Hydrogen iodide	hi
171	HI⁺	Hydrogen iodide cation	hi+
172	H₂F⁺	dihydrogen fluoride cation	h2f+
173	H₂I⁺	Iodonium	h2i+
174	Ne^-	Neon atom anion	ne-
175	Ar^-	Argon atom anion	ar-
176	Ar⁺	Argon atom cation	ar+
177	Fe	Iron atom	fe
178	Xe	Xenon atom	xe
179	HeLi⁺	Helium Lithium cation	heli+
180	NeH	neon hydrogen	neh
181	NeH⁺	neon hydrogen cation	neh+
182	XeH⁺	Xenon, protonated	xeh+
183	Co	Cobalt atom	cobalt
184	Ni	Nickel atom	ni
185	Li₂	Lithium diatomic	li2
186	Li₂^-	lithium diatomic anion	li2-
187	Li₂⁺	lithium diatomic cation	li2+
188	NaLi	lithium sodium	lina
189	NaLi^-	lithium sodium anion	lina-
190	NaLi⁺	lithium sodium cation	lina+
191	LiK	Lithium Potassium	lik
192	NaK	Sodium Potassium	nak
193	NaK⁺	Sodium Potassium diatomic cation	nak+
194	K₂	Potassium diatomic	k2
195	Cu₂	Copper diatomic	cu2
196	LiBe	Lithium Beryllium	libe
197	LiMg	Lithium magnesium	limg
198	NaBe	Sodium Beryllium	nabe
199	NaMg	Sodium Magnesium	namg
200	Be₂	Beryllium diatomic	be2
201	Be₂^-	Beryllium diatomic anion	be2-
202	Be₂⁺	Beryllium diatomic cation	be2+
203	Mg₂	Magnesium diatomic	mg2
204	Mg₂^-	magnesium diatomic anion	mg2-
205	Mg₂⁺	magnesium diatomic cation	mg2+
206	Ca₂	Calcium diatomic	ca2
207	LiB	Lithium boride	lib
208	LiAl	Lithium Aluminum	lial
209	B₂	Boron diatomic	b2
210	B₂^-	Boron diatomic anion	b2-
211	Al₂	Aluminum diatomic	al2
212	Al₂^-	aluminum diatomic anion	al2-
213	Al₂⁺	aluminum diatomic cation	al2+
214	LiBH₄	Lithium borohydride	libh4
215	Al₂H₆	dialane	al2h6
216	Ga₂H₆	digallane	ga2h6
217	LiC	Lithium Carbide	lic
218	BC	boron monocarbide	bc
219	BC^-	boron monocarbide anion	bc-
220	BC⁺	boron monocarbide cation	bc+
221	C₂^-	carbon diatomic anion	c2-
222	SiC	silicon monocarbide	sic
223	SiC^-	silicon monocarbide anion	sic-
224	SiC⁺	silicon monocarbide cation	sic+
225	Si₂	Silicon diatomic	si2
226	Si₂^-	silcon diatomic anion	si2-
227	Si₂⁺	silcon diatomic cation	si2+
228	GeC	Germanium monocarbide	gec
229	Ge₂	Germanium diatomic	ge2
230	C₂H⁺	Ethynyl cation	c2h+
231	ZnCH₂	Zinc methylene	znch2
232	CCH₂	vinylidene	vinylidene
233	HCCH^-	acetylene anion	c2h2-
234	Si₂H₂	disilyne	si2h2
235	CuCH₃	monomethyl copper	cuch3
236	ZnCH₃	Zinc monomethyl	znch3
237	C₂H₃	vinyl	c2h3
238	C₂H₃^-	vinyl anion	c2h3-
239	C₂H₃⁺	vinyl cation	c2h3+
240	C₂H₄^-	Ethylene anion	c2h4-
241	CH₃CH	methylmethylene	ch3ch
242	CH₂SiH₂	silaethylene	ch2sih2
243	Si₂H₄	Disilene	si2h4
244	C₂H₅^-	Ethyl anion	c2h5-
245	C₂H₅⁺	Ethyl cation	c2h5+
246	C₂H₆⁺	ethane cation	c2h6+
247	CH₃SiH₃	methyl silane	ch3sih3
248	Si₂H₆	disilane	si2h6
249	GeH₃CH₃	methyl germane	geh3ch3
250	C₂H₇⁺	Ethane, protonated	c2h7+
251	LiN	Lithium Nitride	lin
252	LiN⁺	Lithium Nitride cation	lin+
253	BeN	Beryllium mononitride	ben
254	BeN^-	Beryllium mononitride anion	ben-
255	BN^-	boron nitride anion	bn-
256	AlN^-	aluminum mononitride anion	aln-
257	AlN⁺	aluminum mononitride cation	aln+
258	BN⁺	boron nitride cation	bn+
259	AlN	Aluminum nitride	aln
260	CN⁺	Cyano cation	cn+
261	CP	Carbon monophosphide	cp
262	CP^-	carbon monophosphide anion	cp-
263	CP⁺	carbon monophosphide cation	cp+
264	SiN	Silicon nitride	sin
265	SiN^-	silicon mononitride anion	sin-
266	SiN⁺	silicon mononitride cation	sin+
267	SiP^-	Silicon monophosphide anion	sip-
268	SiP⁺	Silicon monophosphide cation	sip+
269	TiN	Titanium mononitride	tin
270	N₂⁺	diatomic nitrogen cation	n2+
271	PN	Phosphorus mononitride	pn
272	PN^-	phosphorus nitride anion	pn-
273	PN⁺	phosphorus nitride cation	pn+
274	P₂	Phosphorus diatomic	p2
275	P₂^-	phosphorus diatomic anion	p2-
276	P₂⁺	phosphorus diatomic cation	p2+
277	AsN	Arsenic mononitride	asn
278	AsP	Arsenic monophosphide	asp
279	SbN	Antimony nitride	sbn
280	As₂	Arsenic diatomic	as2
281	HNB	hydrogen nitrogen boron	hnb
282	HNC	hydrogen isocyanide	hnc
283	HCN^-	Hydrogen cyanide anion	hcn-
284	HCP	Phosphaethyne	hcp
285	HCP⁺	Phosphaethyne cation	hcp+
286	NNH	Dinitrogen monohydride	nnh
287	HPO	Hydrogen phosphorus oxide	hpo
288	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
289	LiNH₂	lithium amide	linh2
290	HBNH	Boranimine	hbnh
291	CNH₂	Aminomethylidyne radical	cnh2
292	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
293	H₂CN	Dihydrogen cyanide radical	h2cn
294	H₂CN⁺	hydrocyanonium cation	h2cn+
295	HCNH	methyleneazane	hcnh
296	HCNH⁺	N-protonated HCN	hcnh+
297	H₂NN	Isodiazene	h2nn
298	N₂H₂	(E)-diazene	n2h2
299	CH₂NH	Methanimine	ch3n
300	CH₂NH⁺	Methanimine cation	ch2nh+
301	CHNH₂	aminomethylene	chnh2
302	CHNH₂⁺	Aminocarbene cation	chnh2+
303	CH₂PH	Phosphaethene	ch3p
304	BH₂NH₂	Boranamine	bh2nh2
305	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
306	N₂H₄	Hydrazine	n2h4
307	N₂H₄⁺	hydrazine cation	n2h4+
308	P₂H₄	Diphosphine	p2h4
309	CH₃NH₂	methyl amine	ch3nh2
310	CH₃NH₂⁺	methyl amine cation	ch3nh2+
311	CH₃PH₂	Methyl phosphine	ch3ph2
312	SiH₃NH₂	Silane, amino	sih3nh2
313	N₂H₅⁺	protonated hydrazine	n2h5+
314	BH₃NH₃	borane ammonia	bh3nh3
315	CH₃NH₃	methyl ammonium radical	ch3nh3
316	CH₃NH₃⁺	protonated methylamine	ch3nh3+
317	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
318	N₂H₇⁺	ammonia ammonium dimer	n2h7+
319	LiO^-	lithium oxide anion	lio-
320	LiO⁺	lithium oxide cation	lio+
321	NaO^-	sodium oxide anion	nao-
322	NaO⁺	sodium oxide cation	nao+
323	KO	Potassium monoxide	ko
324	KO⁺	Potassium monoxide cation	ko+
325	CuO	Copper Monoxide	cuo
326	LiSe	Lithium monoselenide	lise
327	BeO	beryllium oxide	beo
328	BeO^-	Beryllium monoxide anion	beo-
329	BeO⁺	Beryllium monoxide cation	beo+
330	BeS	beryllium sulfide	bes
331	MgO	magnesium oxide	mgo
332	MgO^-	magnesium oxide anion	mgo-
333	MgO⁺	magnesium oxide cation	mgo+
334	CaO	Calcium monoxide	cao
335	MgS	magnesium sulfide	mgs
336	MgS^-	magnesium sulfide anion	mgs-
337	MgS⁺	magnesium sulfide cation	mgs+
338	CaS	Calcium sulfide	cas
339	ZnO	zinc monoxide	zno
340	ZnS	Zinc sulfide	zns
341	BeS^-	Beryllium monosulfide anion	bes-
342	BeS⁺	Beryllium monosulfide cation	bes+
343	BO^-	boron monoxide anion	bo-
344	AlO	Aluminum monoxide	alo
345	AlO^-	Aluminum monoxide anion	alo-
346	AlO⁺	aluminum monoxide cation	alo+
347	BS	boron sulfide	bs
348	BS^-	boron monosulfide anion	bs-
349	BS⁺	boron monosulfide cation	bs+
350	AlS	Aluminum sulfide	als
351	AlS^-	aluminum monosulfide anion	als-
352	AlS⁺	aluminum monosulfide cation	als+
353	GaO	Gallium monoxide	gao
354	GaS	Gallium monosulfide	gas
355	BO⁺	boron monoxide cation	bo+
356	CS	carbon monosulfide	cs
357	CS^-	carbon monosulfide anion	cs-
358	CS⁺	carbon monosulfide cation	cs+
359	SiO	Silicon monoxide	sio
360	SiO^-	silicon monoxide anion	sio-
361	SiO⁺	silicon monoxide cation	sio+
362	SiS	silicon monosulfide	sis
363	SiS^-	silicon monosulfide anion	sis-
364	SiS⁺	silicon monosulfide cation	sis+
365	CSe	Carbon monoselenide	cse
366	CSe^-	Carbon monoselenide anion	cse-
367	CSe⁺	Carbon monoselenide cation	cse+
368	GeO	Germanium monoxide	geo
369	GeSe	Germanium monoselenide	gese
370	NS^-	nitrogen sulfide anion	ns-
371	NS⁺	nitrogen sulfide cation	ns+
372	PO^-	phosphorus monoxide anion	po-
373	PO⁺	phosphorus monoxide cation	po+
374	PS^-	phosphorus monosulfide anion	ps-
375	PS⁺	phosphorus monosulfide cation	ps+
376	AsO	Arsenic monoxide	aso
377	O₂^--	dioxygen dianion	o2--
378	O₂⁺	diatomic oxygen cation	o2+
379	SO	Sulfur monoxide	so
380	SO^-	sulfur monoxide anion	so-
381	S₂^-	sulfur diatomic anion	s2-
382	S₂⁺	sulfur diatomic cation	s2+
383	SeO	Selenium monoxide	seo
384	SeO^-	selenium monoxide anion	seo-
385	SeO⁺	selenium monoxide cation	seo+
386	SeS	Selenium monosulfide	ses
387	SeS^-	selenium monosulfide anion	ses-
388	SeS⁺	selenium monosulfide cation	ses+
389	TeO	Tellurium monoxide	teo
390	Se₂	Selenium diatomic	se2
391	Se₂^-	selenium diatomic anion	se2-
392	Se₂⁺	selenium diatomic cation	se2+
393	Te₂	Tellurium diatomic	te2
394	NaOH	sodium hydroxide	naoh
395	KOH	Potassium hydroxide	koh
396	MgOH	magnesium hydroxide	mgoh
397	CaOH	Calcium monohydroxide	caoh
398	HBS	hydrogen boron sulfide	hbs
399	HCO	Formyl radical	hco
400	HCO⁺	Formyl cation	hco+
401	HCS	Thioformyl radical	hcs
402	HCS^-	Thioformyl anion	hcs-
403	HCS⁺	Thioformyl cation	hcs+
404	HNO	Nitrosyl hydride	hno
405	HNO^-	Nitrosyl hydride anion	hno-
406	HNS	Sulfur imide	hns
407	HNS^-	Sulfur imide anion	hns-
408	HO₂^-	Hydroperoxy anion	ho2-
409	SOH	Sulfur Hydroxide	soh
410	HS₂	Thiosulfeno radical	hs2
411	HOCH	hydroxycarbene	hoch
412	H₂CS	Thioformaldehyde	h2cs
413	H₂CS^-	thioformaldehyde anion	h2cs-
414	H₂CS⁺	thioformaldehyde cation	h2cs+
415	H₂CSe	Selenoformaldehyde	h2cse
416	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
417	H₂OO	water oxide	h2oo
418	HOSH	hydrogen thioperoxide	hosh
419	H₂Se₂	hydrogen diselenide	h2se2
420	CH₂OH⁺	hydroxymethyl cation	ch2oh+
421	CH₃O	Methoxy radical	ch3o
422	CH₃O^-	methoxy anion	ch3o-
423	CH₃S	thiomethoxy	ch3s
424	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
425	NH₂OH⁺	Hydroxylamine cation	nh2oh+
426	NH₃O	Ammonia Oxide	nh3o
427	H₂POH	Phosphinous acid	h2poh
428	H₃PO	Phosphine oxide	h3po
429	NH₂SH	Thiohydroxylamine	nh2sh
430	NH₃S	sulfidoazane	nh3s
431	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
432	CH₃OH	Methyl alcohol	ch3oh
433	CH₃OH^-	Methyl alcohol anion	ch3oh-
434	CH₃OH⁺	Methyl alcohol cation	ch3oh+
435	CH₃SH	Methanethiol	ch3sh
436	CH₃SH⁺	Methanethiol cation	ch3sh+
437	SiH₃OH	silanol	sih3oh
438	CH₃SeH	Methane selenol	ch3seh
439	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
440	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
441	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
442	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
443	H₂ONH₃	Water Ammonia Dimer	h2onh3
444	H₅O₂⁺	Dihydroxonium ion	h5o2+
445	LiF	lithium fluoride	lif
446	LiCl^-	lithium chloride anion	licl-
447	LiCl⁺	lithium chloride cation	licl+
448	NaF^-	sodium fluoride anion	naf-
449	NaF⁺	sodium fluoride cation	naf+
450	KF	Potassium Fluoride	kf
451	NaCl^-	sodium chloride anion	nacl-
452	NaCl⁺	sodium chloride cation	nacl+
453	KCl	Potassium Chloride	kcl
454	CuF	Copper monofluoride	cuf
455	LiBr	Lithium Bromide	libr
456	LiBr^-	lithium bromide anion	libr-
457	LiBr⁺	lithium bromide cation	libr+
458	CuCl	Copper monochloride	cucl
459	NaBr	Sodium Bromide	nabr
460	NaBr^-	sodium bromide anion	nabr-
461	NaBr⁺	sodium bromide cation	nabr+
462	KBr	Potassium Bromide	kbr
463	LiI	Lithium Iodide	lii
464	NaI	Sodium Iodide	nai
465	KI	Potassium Iodide	ki
466	LiF^-	lithium fluoride anion	lif-
467	LiF⁺	lithium fluoride cation	lif+
468	BeF	Beryllium monofluoride	bef
469	BeF^-	Beryllium monofluoride anion	bef-
470	BeF⁺	Beryllium monofluoride cation	bef+
471	BeCl	beryllium monochloride	becl
472	MgF	Magnesium monofluoride	mgf
473	MgF^-	magnesium fluoride anion	mgf-
474	CaF	Calcium monofluoride	caf
475	MgCl	magnesium monochloride	mgcl
476	MgCl^-	magnesium monochloride anion	mgcl-
477	MgCl⁺	magnesium monochloride cation	mgcl+
478	CaCl	calcium monochloride	cacl
479	TiCl	Titanium Monochloride	ticl
480	ZnF	Zinc monofluoride	znf
481	ZnF^-	Zinc monofluoride anion	znf-
482	ZnF⁺	Zinc monofluoride cation	znf+
483	ZnCl	Zinc monochloride	zncl
484	CaBr	Calcium monobromide	cabr
485	BeCl^-	beryllium monochloride anion	becl-
486	BeCl⁺	beryllium monochloride cation	becl+
487	BF^-	Boron monofluoride anion	bf-
488	BF⁺	Boron monofluoride cation	bf+
489	AlF	Aluminum monofluoride	alf
490	AlF^-	Aluminum monofluoride anion	alf-
491	AlF⁺	Aluminum monofluoride cation	alf+
492	BCl	boron monochloride	bcl
493	BCl^-	boron monochloride anion	bcl-
494	BCl⁺	boron monochloride cation	bcl+
495	AlCl	Aluminum monochloride	alcl
496	AlCl^-	aluminum monochloride anion	alcl-
497	AlCl⁺	aluminum monochloride cation	alcl+
498	BBr	Boron monobromide	bbr
499	GaF	Gallium monofluoride	gaf
500	AlBr	Aluminum monobromide	albr

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

He⁺

Helium atom cation

he+

HeH

Helium hydride

heh

HeH⁺

Helium hydride cation

heh+

He₂⁺

helium diatomic cation

he2+

Li^-

Lithium atom anion

li-

Li⁺

Lithium atom cation

li+

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH

Lithium Hydride

lih

LiH^-

lithium hydride anion

lih-

LiH⁺

lithium hydride cation

lih+

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

Potassium hydride

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Be^-

Beryllium atom anion

be-

Be⁺

Beryllium atom cation

be+

Mg^-

Magnesium atom anion

mg-

Mg⁺

Magnesium atom cation

mg+

Calcium atom

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH

beryllium monohydride

beh

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

BeH₂⁺

Beryllium dihydride cation

beh2+

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Al⁺

Aluminum atom cation

al+

Gallium atom

Ga^-

Gallium atom anion

ga-

Ga⁺

Gallium atom cation

ga+

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH⁺

Scandium monohydride cation

sch+

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃⁺

aluminum trihydride cation

alh3+

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Si⁺

Silicon atom cation

si+

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+

Methylidyne

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

100

GeH₂^-

germylene anion

geh2-

101

SiH₃^-

Silyl anion

sih3-

102

GeH₃

Germyl radical

geh3

103

GeH₃⁺

germyl cation

geh3+

104

CD₄

methane-d4

cd4

105

CH₂D₂

methane-d2

ch2d2

106

CH₃D

methane-d

ch3d

107

CH₄⁺

Methane cation

ch4+

108

CHD₃

methane-d3

chd3

109

SiH₄⁺

Silane cation

sih4+

110

SnH₄

Stannane

snh4

111

N^-

Nitrogen atom anion

112

N⁺

Nitrogen atom cation

113

P^-

Phosphorus atom anion

114

P⁺

Phosphorus atom cation

115

Antimony atom

116

Imidogen

117

NH^-

Imidogen anion

nh-

118

NH⁺

imidogen cation

nh+

119

PH^-

phosphorus monohydride anion

ph-

120

PH⁺

phosphorus monohydride cation

ph+

121

AsH

Arsenic monohydride

ash

122

AsH⁺

Arsenic monohydride cation

ash+

123

SbH

Antimony monohydride

sbh

124

ND₂

Amidogen-d2

nd2

125

NH₂^-

amino anion

nh2-

126

PH₂

Phosphino radical

ph2

127

PH₂^-

Phosphino anion

ph2-

128

PH₂⁺

Phosphino cation

ph2+

129

AsH₂

Arsenic dihydride

ash2

130

AsH₂⁺

Arsenic dihydride cation

ash2+

131

ND₃

Ammonia-d3

nd3

132

AsH₃

Arsine

ash3

133

AsH₃⁺

Arsine cation

ash3+

134

SbH₃

Stibine

sbh3

135

AsH₄⁺

Arsonium

ash4+

136

NH₄

Ammonium radical

nh4

137

O^-

Oxygen atom anion

138

Chromium atom

139

Selenium atom

140

Se^-

Selenium atom anion

se-

141

Se⁺

Selenium atom cation

se+

142

Tellurium atom

143

Te⁺

Tellurium atom cation

te+

144

Hydroxyl-d

145

Mercapto-d

146

CrH

Chromium hydride

crh

147

CrH⁺

Chromium hydride cation

crh+

148

HSe

Selenium monohydride

hse

149

HSe^-

selenium monohydride anion

hse-

150

TeH

Telluryl radical

teh

151

D₂O

Deuterium oxide

d2o

152

D₂S

Hydrogen sulfide-d2

d2s

153

H₂S^-

Hydrogen sulfide anion

h2s-

154

H₂Se⁺

Hydrogen selenide cation

h2se+

155

H₂Te

Hydrogen Telluride

h2te

156

Manganese atom

157

Bromine atom

158

Br^-

Bromine atom anion

br-

159

Br⁺

Bromine atom cation

br+

160

Iodine atom

iodine

161

I^-

Iodine atom anion

iodine-

162

I⁺

Iodine atom cation

iodine+

163

Hydrofluoric acid-d

164

HF^-

hydrogen fluoride anion

hf-

165

HF⁺

hydrogen fluoride cation

hf+

166

DCl

Hydrochloric acid-d

dcl

167

HCl^-

hydrogen chloride anion

hcl-

168

HBr^-

hydrogen bromide anion

hbr-

169

HBr⁺

hydrogen bromide cation

hbr+

170

Hydrogen iodide

171

HI⁺

Hydrogen iodide cation

hi+

172

H₂F⁺

dihydrogen fluoride cation

h2f+

173

H₂I⁺

Iodonium

h2i+

174

Ne^-

Neon atom anion

ne-

175

Ar^-

Argon atom anion

ar-

176

Ar⁺

Argon atom cation

ar+

177

Iron atom

178

Xenon atom

179

HeLi⁺

Helium Lithium cation

heli+

180

NeH

neon hydrogen

neh

181

NeH⁺

neon hydrogen cation

neh+

182

XeH⁺

Xenon, protonated

xeh+

183

Cobalt atom

cobalt

184

Nickel atom

185

Li₂

Lithium diatomic

li2

186

Li₂^-

lithium diatomic anion

li2-

187

Li₂⁺

lithium diatomic cation

li2+

188

NaLi

lithium sodium

lina

189

NaLi^-

lithium sodium anion

lina-

190

NaLi⁺

lithium sodium cation

lina+

191

LiK

Lithium Potassium

lik

192

NaK

Sodium Potassium

nak

193

NaK⁺

Sodium Potassium diatomic cation

nak+

194

K₂

Potassium diatomic

195

Cu₂

Copper diatomic

cu2

196

LiBe

Lithium Beryllium

libe

197

LiMg

Lithium magnesium

limg

198

NaBe

Sodium Beryllium

nabe

199

NaMg

Sodium Magnesium

namg

200

Be₂

Beryllium diatomic

be2

201

Be₂^-

Beryllium diatomic anion

be2-

202

Be₂⁺

Beryllium diatomic cation

be2+

203

Mg₂

Magnesium diatomic

mg2

204

Mg₂^-

magnesium diatomic anion

mg2-

205

Mg₂⁺

magnesium diatomic cation

mg2+

206

Ca₂

Calcium diatomic

ca2

207

LiB

Lithium boride

lib

208

LiAl

Lithium Aluminum

lial

209

B₂

Boron diatomic

210

B₂^-

Boron diatomic anion

b2-

211

Al₂

Aluminum diatomic

al2

212

Al₂^-

aluminum diatomic anion

al2-

213

Al₂⁺

aluminum diatomic cation

al2+

214

LiBH₄

Lithium borohydride

libh4

215

Al₂H₆

dialane

al2h6

216

Ga₂H₆

digallane

ga2h6

217

LiC

Lithium Carbide

lic

218

boron monocarbide

219

BC^-

boron monocarbide anion

bc-

220

BC⁺

boron monocarbide cation

bc+

221

C₂^-

carbon diatomic anion

c2-

222

SiC

silicon monocarbide

sic

223

SiC^-

silicon monocarbide anion

sic-

224

SiC⁺

silicon monocarbide cation

sic+

225

Si₂

Silicon diatomic

si2

226

Si₂^-

silcon diatomic anion

si2-

227

Si₂⁺

silcon diatomic cation

si2+

228

GeC

Germanium monocarbide

gec

229

Ge₂

Germanium diatomic

ge2

230

C₂H⁺

Ethynyl cation

c2h+

231

ZnCH₂

Zinc methylene

znch2

232

CCH₂

vinylidene

233

HCCH^-

acetylene anion

c2h2-

234

Si₂H₂

disilyne

si2h2

235

CuCH₃

monomethyl copper

cuch3

236

ZnCH₃

Zinc monomethyl

znch3

237

C₂H₃

vinyl

c2h3

238

C₂H₃^-

vinyl anion

c2h3-

239

C₂H₃⁺

vinyl cation

c2h3+

240

C₂H₄^-

Ethylene anion

c2h4-

241

CH₃CH

methylmethylene

ch3ch

242

CH₂SiH₂

silaethylene

ch2sih2

243

Si₂H₄

Disilene

si2h4

244

C₂H₅^-

Ethyl anion

c2h5-

245

C₂H₅⁺

Ethyl cation

c2h5+

246

C₂H₆⁺

ethane cation

c2h6+

247

CH₃SiH₃

methyl silane

ch3sih3

248

Si₂H₆

disilane

si2h6

249

GeH₃CH₃

methyl germane

geh3ch3

250

C₂H₇⁺

Ethane, protonated

c2h7+

251

LiN

Lithium Nitride

lin

252

LiN⁺

Lithium Nitride cation

lin+

253

BeN

Beryllium mononitride

ben

254

BeN^-

Beryllium mononitride anion

ben-

255

BN^-

boron nitride anion

bn-

256

AlN^-

aluminum mononitride anion

aln-

257

AlN⁺

aluminum mononitride cation

aln+

258

BN⁺

boron nitride cation

bn+

259

AlN

Aluminum nitride

aln

260

CN⁺

Cyano cation

cn+

261

Carbon monophosphide

262

CP^-

carbon monophosphide anion

cp-

263

CP⁺

carbon monophosphide cation

cp+

264

SiN

Silicon nitride

sin

265

SiN^-

silicon mononitride anion

sin-

266

SiN⁺

silicon mononitride cation

sin+

267

SiP^-

Silicon monophosphide anion

sip-

268

SiP⁺

Silicon monophosphide cation

sip+

269

TiN

Titanium mononitride

tin

270

N₂⁺

diatomic nitrogen cation

n2+

271

Phosphorus mononitride

272

PN^-

phosphorus nitride anion

pn-

273

PN⁺

phosphorus nitride cation

pn+

274

P₂

Phosphorus diatomic

275

P₂^-

phosphorus diatomic anion

p2-

276

P₂⁺

phosphorus diatomic cation

p2+

277

AsN

Arsenic mononitride

asn

278

AsP

Arsenic monophosphide

asp

279

SbN

Antimony nitride

sbn

280

As₂

Arsenic diatomic

as2

281

HNB

hydrogen nitrogen boron

hnb

282

HNC

hydrogen isocyanide

hnc

283

HCN^-

Hydrogen cyanide anion

hcn-

284

HCP

Phosphaethyne

hcp

285

HCP⁺

Phosphaethyne cation

hcp+

286

NNH

Dinitrogen monohydride

nnh

287

HPO

Hydrogen phosphorus oxide

hpo

288

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

289

LiNH₂

lithium amide

linh2

290

HBNH

Boranimine

hbnh

291

CNH₂

Aminomethylidyne radical

cnh2

292

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

293

H₂CN

Dihydrogen cyanide radical

h2cn

294

H₂CN⁺

hydrocyanonium cation

h2cn+

295

HCNH

methyleneazane

hcnh

296

HCNH⁺

N-protonated HCN

hcnh+

297

H₂NN

Isodiazene

h2nn

298

N₂H₂

(E)-diazene

n2h2

299

CH₂NH

Methanimine

ch3n

300

CH₂NH⁺

Methanimine cation

ch2nh+

301

CHNH₂

aminomethylene

chnh2

302

CHNH₂⁺

Aminocarbene cation

chnh2+

303

CH₂PH

Phosphaethene

ch3p

304

BH₂NH₂

Boranamine

bh2nh2

305

CH₂NH₂⁺

methyleneamine cation

ch2nh2+

306

N₂H₄

Hydrazine

n2h4

307

N₂H₄⁺

hydrazine cation

n2h4+

308

P₂H₄

Diphosphine

p2h4

309

CH₃NH₂

methyl amine

ch3nh2

310

CH₃NH₂⁺

methyl amine cation

ch3nh2+

311

CH₃PH₂

Methyl phosphine

ch3ph2

312

SiH₃NH₂

Silane, amino

sih3nh2

313

N₂H₅⁺

protonated hydrazine

n2h5+

314

BH₃NH₃

borane ammonia

bh3nh3

315

CH₃NH₃

methyl ammonium radical

ch3nh3

316

CH₃NH₃⁺

protonated methylamine

ch3nh3+

317

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

318

N₂H₇⁺

ammonia ammonium dimer

n2h7+

319

LiO^-

lithium oxide anion

lio-

320

LiO⁺

lithium oxide cation

lio+

321

NaO^-

sodium oxide anion

nao-

322

NaO⁺

sodium oxide cation

nao+

323

Potassium monoxide

324

KO⁺

Potassium monoxide cation

ko+

325

CuO

Copper Monoxide

cuo

326

LiSe

Lithium monoselenide

lise

327

BeO

beryllium oxide

beo

328

BeO^-

Beryllium monoxide anion

beo-

329

BeO⁺

Beryllium monoxide cation

beo+

330

BeS

beryllium sulfide

bes

331

MgO

magnesium oxide

mgo

332

MgO^-

magnesium oxide anion

mgo-

333

MgO⁺

magnesium oxide cation

mgo+

334

CaO

Calcium monoxide

cao

335

MgS

magnesium sulfide

mgs

336

MgS^-

magnesium sulfide anion

mgs-

337

MgS⁺

magnesium sulfide cation

mgs+

338

CaS

Calcium sulfide

cas

339

ZnO

zinc monoxide

zno

340

ZnS

Zinc sulfide

zns

341

BeS^-

Beryllium monosulfide anion

bes-

342

BeS⁺

Beryllium monosulfide cation

bes+

343

BO^-

boron monoxide anion

bo-

344

AlO

Aluminum monoxide

alo

345

AlO^-

Aluminum monoxide anion

alo-

346

AlO⁺

aluminum monoxide cation

alo+

347

boron sulfide

348

BS^-

boron monosulfide anion

bs-

349

BS⁺

boron monosulfide cation

bs+

350

AlS

Aluminum sulfide

als

351

AlS^-

aluminum monosulfide anion

als-

352

AlS⁺

aluminum monosulfide cation

als+

353

GaO

Gallium monoxide

gao

354

GaS

Gallium monosulfide

gas

355

BO⁺

boron monoxide cation

bo+

356

carbon monosulfide

357

CS^-

carbon monosulfide anion

cs-

358

CS⁺

carbon monosulfide cation

cs+

359

SiO

Silicon monoxide

sio

360

SiO^-

silicon monoxide anion

sio-

361

SiO⁺

silicon monoxide cation

sio+

362

SiS

silicon monosulfide

sis

363

SiS^-

silicon monosulfide anion

sis-

364

SiS⁺

silicon monosulfide cation

sis+

365

CSe

Carbon monoselenide

cse

366

CSe^-

Carbon monoselenide anion

cse-

367

CSe⁺

Carbon monoselenide cation

cse+

368

GeO

Germanium monoxide

geo

369

GeSe

Germanium monoselenide

gese

370

NS^-

nitrogen sulfide anion

ns-

371

NS⁺

nitrogen sulfide cation

ns+

372

PO^-

phosphorus monoxide anion

po-

373

PO⁺

phosphorus monoxide cation

po+

374

PS^-

phosphorus monosulfide anion

ps-

375

PS⁺

phosphorus monosulfide cation

ps+

376

AsO

Arsenic monoxide

aso

377

O₂^--

dioxygen dianion

o2--

378

O₂⁺

diatomic oxygen cation

o2+

379

Sulfur monoxide

380

SO^-

sulfur monoxide anion

so-

381

S₂^-

sulfur diatomic anion

s2-

382

S₂⁺

sulfur diatomic cation

s2+

383

SeO

Selenium monoxide

seo

384

SeO^-

selenium monoxide anion

seo-

385

SeO⁺

selenium monoxide cation

seo+

386

SeS

Selenium monosulfide

ses

387

SeS^-

selenium monosulfide anion

ses-

388

SeS⁺

selenium monosulfide cation

ses+

389

TeO

Tellurium monoxide

teo

390

Se₂

Selenium diatomic

se2

391

Se₂^-

selenium diatomic anion

se2-

392

Se₂⁺

selenium diatomic cation

se2+

393

Te₂

Tellurium diatomic

te2

394

NaOH

sodium hydroxide

naoh

395

KOH

Potassium hydroxide

koh

396

MgOH

magnesium hydroxide

mgoh

397

CaOH

Calcium monohydroxide

caoh

398

HBS

hydrogen boron sulfide

hbs

399

HCO

Formyl radical

hco

400

HCO⁺

Formyl cation

hco+

401

HCS

Thioformyl radical

hcs

402

HCS^-

Thioformyl anion

hcs-

403

HCS⁺

Thioformyl cation

hcs+

404

HNO

Nitrosyl hydride

hno

405

HNO^-

Nitrosyl hydride anion

hno-

406

HNS

Sulfur imide

hns

407

HNS^-

Sulfur imide anion

hns-

408

HO₂^-

Hydroperoxy anion

ho2-

409

SOH

Sulfur Hydroxide

soh

410

HS₂

Thiosulfeno radical

hs2

411

HOCH

hydroxycarbene

hoch

412

H₂CS

Thioformaldehyde

h2cs

413

H₂CS^-

thioformaldehyde anion

h2cs-

414

H₂CS⁺

thioformaldehyde cation

h2cs+

415

H₂CSe

Selenoformaldehyde

h2cse

416

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

417

H₂OO

water oxide

h2oo

418

HOSH

hydrogen thioperoxide

hosh

419

H₂Se₂

hydrogen diselenide

h2se2

420

CH₂OH⁺

hydroxymethyl cation

ch2oh+

421

CH₃O

Methoxy radical

ch3o

422

CH₃O^-

methoxy anion

ch3o-

423

CH₃S

thiomethoxy

ch3s

424

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

425

NH₂OH⁺

Hydroxylamine cation

nh2oh+

426

NH₃O

Ammonia Oxide

nh3o

427

H₂POH

Phosphinous acid

h2poh

428

H₃PO

Phosphine oxide

h3po

429

NH₂SH

Thiohydroxylamine

nh2sh

430

NH₃S

sulfidoazane

nh3s

431

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

432

CH₃OH

Methyl alcohol

ch3oh

433

CH₃OH^-

Methyl alcohol anion

ch3oh-

434

CH₃OH⁺

Methyl alcohol cation

ch3oh+

435

CH₃SH

Methanethiol

ch3sh

436

CH₃SH⁺

Methanethiol cation

ch3sh+

437

SiH₃OH

silanol

sih3oh

438

CH₃SeH

Methane selenol

ch3seh

439

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

440

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

441

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

442

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

443

H₂ONH₃

Water Ammonia Dimer

h2onh3

444

H₅O₂⁺

Dihydroxonium ion

h5o2+

445

LiF

lithium fluoride

lif

446

LiCl^-

lithium chloride anion

licl-

447

LiCl⁺

lithium chloride cation

licl+

448

NaF^-

sodium fluoride anion

naf-

449

NaF⁺

sodium fluoride cation

naf+

450

Potassium Fluoride

451

NaCl^-

sodium chloride anion

nacl-

452

NaCl⁺

sodium chloride cation

nacl+

453

KCl

Potassium Chloride

kcl

454

CuF

Copper monofluoride

cuf

455

LiBr

Lithium Bromide

libr

456

LiBr^-

lithium bromide anion

libr-

457

LiBr⁺

lithium bromide cation

libr+

458

CuCl

Copper monochloride

cucl

459

NaBr

Sodium Bromide

nabr

460

NaBr^-

sodium bromide anion

nabr-

461

NaBr⁺

sodium bromide cation

nabr+

462

KBr

Potassium Bromide

kbr

463

LiI

Lithium Iodide

lii

464

NaI

Sodium Iodide

nai

465

Potassium Iodide

466

LiF^-

lithium fluoride anion

lif-

467

LiF⁺

lithium fluoride cation

lif+

468

BeF

Beryllium monofluoride

bef

469

BeF^-

Beryllium monofluoride anion

bef-

470

BeF⁺

Beryllium monofluoride cation

bef+

471

BeCl

beryllium monochloride

becl

472

MgF

Magnesium monofluoride

mgf

473

MgF^-

magnesium fluoride anion

mgf-

474

CaF

Calcium monofluoride

caf

475

MgCl

magnesium monochloride

mgcl

476

MgCl^-

magnesium monochloride anion

mgcl-

477

MgCl⁺

magnesium monochloride cation

mgcl+

478

CaCl

calcium monochloride

cacl

479

TiCl

Titanium Monochloride

ticl

480

ZnF

Zinc monofluoride

znf

481

ZnF^-

Zinc monofluoride anion

znf-

482

ZnF⁺

Zinc monofluoride cation

znf+

483

ZnCl

Zinc monochloride

zncl

484

CaBr

Calcium monobromide

cabr

485

BeCl^-

beryllium monochloride anion

becl-

486

BeCl⁺

beryllium monochloride cation

becl+

487

BF^-

Boron monofluoride anion

bf-

488

BF⁺

Boron monofluoride cation

bf+

489

AlF

Aluminum monofluoride

alf

490

AlF^-

Aluminum monofluoride anion

alf-

491

AlF⁺

Aluminum monofluoride cation

alf+

492

BCl

boron monochloride

bcl

493

BCl^-

boron monochloride anion

bcl-

494

BCl⁺

boron monochloride cation

bcl+

495

AlCl

Aluminum monochloride

alcl

496

AlCl^-

aluminum monochloride anion

alcl-

497

AlCl⁺

aluminum monochloride cation

alcl+

498

BBr

Boron monobromide

bbr

499

GaF

Gallium monofluoride

gaf

500

AlBr

Aluminum monobromide

albr

501

GaCl

Gallium monochloride

gacl

502

AlI

Aluminum monoiodide

ali

503

GaBr

Gallium monobromide

gabr

504

CF^-

carbon monofluoride anion

cf-

505

CF⁺

carbon monofluoride cation

cf+

506

CCl

carbon monochloride

ccl

507

CCl^-

carbon monochloride anion

ccl-

508

CCl⁺

carbon monochloride cation

ccl+

509

SiF^-

silicon monofluoride anion

sif-

510

SiCl

Clorosilylidyne

sicl

511

SiCl^-

silicon monochloride anion

sicl-

512

SiCl⁺

silicon monochloride cation

sicl+

513

GeF

Germanium monofluoride

gef

514

GeF⁺

Germanium monofluoride cation

gef+

515

GeCl

Germanium monochloride

gecl

516

GeCl⁺

Germanium monochloride cation

gecl+

517

SiBr⁺

Silicon monobromide cation

sibr+

518

nitrogen fluoride

519

NF^-

nitrogen monofluorine anion

nf-

520

NF⁺

nitrogen monofluoirde cation

nf+

521

NCl^-

nitrogen monochloride anion

ncl-

522

NCl⁺

nitrogen monochloride cation

ncl+

523

phosphorus monofluoride

524

PF^-

phosphorus monofluoride anion

pf-

525

PF⁺

phosphorus monofluoride cation

pf+

526

PCl

phosphorus chloride

pcl

527

PCl^-

phosphorus monochloride anion

pcl-

528

PCl⁺

phosphorus monochloride cation

pcl+

529

NBr

nitrogen monobromide

nbr

530

PBr

Phosphorus monobromide

pbr

531

SbF

Antimony monofluoride

sbf

532

SbCl

Antimony monochloride

sbcl

533

FO^-

flourine oxide anion

fo-

534

FO⁺

fluorine monoxide cation

fo+

535

ClO

Monochlorine monoxide

clo

536

ClO^-

chlorine monoxide anion

clo-

537

ClO⁺

chlorine monoxide cation

clo+

538

SF^-

sulfur monofluoride anion

sf-

539

SF⁺

sulfur monofluoride cation

sf+

540

SCl

sulfur monochloride

scl

541

SCl^-

sulfur monochloride anion

scl-

542

SCl⁺

sulfur monochloride cation

scl+

543

BrO

Bromine monoxide

bro

544

BrO^-

Bromine monoxide anion

bro-

545

BrO⁺

Bromine monoxide cation

bro+

546

SBr

Sulfur monobromide radical

sbr

547

SBr⁺

Sulfur monobromide cation

sbr+

548

Iodine monoxide

549

SeBr

Selenium monobromide

sebr

550

BrCl

Bromine monochloride

brcl

551

ClF^-

clorine monofluoride anion

clf-

552

ClF⁺

clorine monofluoride cation

clf+

553

Cl₂^-

chlorine diatomic anion

cl2-

554

BrF

Bromine monofluoride

brf

555

BrF^-

bromine fluoride anion

brf-

556

BrF⁺

bromine fluoride cation

brf+

557

BrCl^-

bromine chloride anion

brcl-

558

BrCl⁺

bromine chloride cation

brcl+

559

Iodine monofluoride

560

Br₂

Bromine diatomic

br2

561

Br₂^-

bromine diatomic anion

br2-

562

Br₂⁺

bromine diatomic cation

br2+

563

ICl

Iodine monochloride

icl

564

IBr

Iodine monobromide

ibr

565

I₂

Iodine diatomic

566

I₂⁺

Iodine diatomic cation

i2+

567

HCCl

Chloromethylene

hccl

568

HSiF

fluorosilylene

hsif

569

HSiCl

Chlorosilylene

hsicl

570

HSiBr

monobromosilylene

hsibr

571

CHBr

bromomethylene

chbr

572

HOF

Hypofluorous acid

hfo

573

DOCl

Hypochlorous acid-d

docl

574

HOCl

hypochlorous acid

hocl

575

HOBr

Hypobromous acid

hobr

576

HOBr⁺

Hypobromous acid cation

hobr+

577

HOI

Hypoiodous acid

hoi

578

F₂H⁺

Fluorine, protonated

f2h+

579

FHF

Hydrogen difluoride

fhf

580

FHF^-

Hydrogen difluoride anion

fhf-

581

Cl₂H⁺

Chlorine, protonated

cl2h+

582

CH₂Br

bromomethyl radical

ch2br

583

CH₂F⁺

fluoromethyl cation

ch2f+

584

CH₂Cl⁺

chloromethyl cation

ch2cl+

585

CH₂Cl

chloromethyl radical

ch2cl

586

NH₂F

monofluoroamine

nh2f

587

NH₂Cl

chloramine

nh2cl

588

H₂F₂

Hydrogen fluoride dimer

h2f2

589

CH₃F⁺

methyl fluoride cation

ch3f+

590

CD₃F

methylfluoride-d3

cd3f

591

CD₃Cl

methyl chloride d3

cd3cl

592

CH₃Cl⁺

Methyl chloride cation

ch3cl+

593

SiH₃F

monofluorosilane

sih3f

594

SiH₃Cl

chlorosilane

sih3cl

595

CH₃Br

methyl bromide

ch3br

596

GeH₃F

monofluorogermane

geh3f

597

GeH₃Cl

monochlorogermane

geh3cl

598

SiH₃Br

bromosilane

sih3br

599

CH₃I

methyl iodide

ch3i

600

SiH₃I

Silyl Iodide

sih3i

601

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

602

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

603

NH₄Cl

Ammonium chloride

nh4cl

604

Ne₂

Neon diatomic

ne2

605

Li₃

Lithium trimer

li3

606

C₃⁺

carbon trimer cation

c3+

607

SiC₂

Silicon dicarbide

sic2

608

C₃H₃

cyclopropenyl radical

cpr

609

C₃H₃

Propargyl radical

propargyl

610

C₃H₃^-

Propargyl anion

c3h3-

611

C₃H₃⁺

cyclopropenyl cation

cpr+

612

C₃H₃⁺

Propargyl cation

c3h3+

613

C₃H₄

cyclopropene

cprop

614

CH₂CCH₂

allene

615

CH₃CCH

propyne

616

C₃H₅

Allyl radical

allyl

617

C₃H₅⁺

Allyl cation

allyl+

618

CH₃CHCH

1-propenyl radical

ch3chch

619

Zn(CH₃)₂

dimethyl zinc

dmz

620

C₃H₆

Cyclopropane

c3h6

621

CH₂CHCH₃

Propene

propene

622

C₃H₇

n-Propyl radical

npropyl

623

C₃H₇⁺

cyclopropane, protonated

c3h7+

624

CH₃CHCH₃

Isopropyl radical

isopropyl

625

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

626

C₃H₈

Propane

propane

627

SiH₂(CH₃)₂

dimethylsilane

dms

628

Si₃H₈

trisilane

si3h8

629

KCN

Potassium cyanide

kcn

630

CuCN

Copper cyanide

cucn

631

ZnCN

Zinc monocyanide

zncn

632

ZnNC

Zinc isocyanide

znnc

633

AlCN

Aluminum monocyanide

alcn

634

AlNC

Aluminum isocyanide

alnc

635

CN₂

3H-Diazirin-3-ylidene

cn2

636

CNN

Diazocarbene

cnn

637

NCN

Cyanoimidogen

ncn

638

N₃^-

azide anion

n3-

639

HCCN

cyanomethylene

hccn

640

HCNN

diazomethyl radical

hcnn

641

HN₃

hydrogen azide

hn3

642

HN₃⁺

Hydrazoic acid cation

hn3+

643

HNCNH

diiminomethane

hncnh

644

CH₂N₂

diazirine

ch2n2

645

CH₂NN

diazomethane

ch2nn

646

NH₂CN

cyanamide

647

HNNNH⁺

1,2-Triazadienium

n2h3+

648

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

649

CH₃CN

Acetonitrile

ch3cn

650

CH₃CN^-

acetonitrile anion

ch3cn-

651

CH₃CN⁺

Acetonitrile cation

ch3cn+

652

CH₃NC

methyl isocyanide

ch3nc

653

CHNCH₂

2H-Azirine

c157164

654

CHNHCH

1H-Azirine

chnhch

655

H₂CCNH

Ethenimine

ch2cnh

656

H₂CNCH

methyleneaminomethylene

ch2nch

657

HCCNH₂

Ethynamine

hccnh2

658

HCNCH₂⁺

2H-Azirine cation

hcnch2+

659

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

660

NCNH₃⁺

Cyanamide, protonated

ncnh3+

661

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

662

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

663

CH₂CHNH

vinylazine

ch2chnh

664

CH₃CHN

methylmethaniminyl radical

ch3chn

665

NHCHNH₂

aminomethanimine

cn2h4

666

C₂H₅N

Aziridine

c2h5n

667

CH₂CHNH₂

aminoethene

668

CH₂NCH₃

N-methylmethanimine

nmm

669

CH₃CHNH

ethanimine

670

NH₂BHNH₂

diaminoborane

nh2bhnh2

671

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

672

C₂H₆N⁺

aziridine, protonated

c2h6n+

673

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

674

CH₃CH₂NH₂

Ethylamine

etam

675

CH₃NHCH₃

Dimethylamine

ch3nhch3

676

CH₃PHCH₃

dimethylphosphine

ch3phch3

677

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

678

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

679

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

680

Li₂O⁺

dilithium oxide cation

li2o+

681

Na₂S

Sodium sulfide

na2s

682

LiO₂

Lithium dioxide

lio2

683

NaO₂

Sodium superoxide

nao2

684

CNO^-

fulminate

cno-

685

NCO^-

cyanate

nco-

686

SCN

thiocyanato radical

scn

687

SCN^-

thiocyanide anion

scn-

688

BO₂

Boron dioxide

bo2

689

BO₂^-

Boron dioxide anion

bo2-

690

BO₂⁺

Boron dioxide cation

bo2+

691

N₂O⁺

Nitrous oxide cation

n2o+

692

NNS

Nitrogen sulfide

nns

693

PPO

Phosphorus oxide phosphide

ppo

694

CO₂^-

Carbon dioxide anion

co2-

695

CO₂⁺

Carbon dioxide cation

co2+

696

OCS⁺

Carbonyl sulfide cation

cos+

697

SiO₂

silicon dioxide

sio2

698

CS₂

Carbon disulfide

cs2

699

CS₂^-

Carbon disulfide anion

cs2-

700

CS₂⁺

Carbon disulfide cation

cs2+

701

SiS₂

Silicon disulfide

sis2

702

GeO₂

Germanium dioxide

geo2

703

OCSe

Carbonyl selenide

ocse

704

SCSe

Carbon sulfide selenide

scse

705

GeS₂

Germanium disulfide

ges2

706

CSe₂

Carbon diselenide

cse2

707

SCTe

Carbon sulfide Telluride

scte

708

NO₂^-

Nitrogen dioxide anion

no2-

709

NSO

sulfinyl amidogen

NSO

710

PO₂

Phosphorus dioxide

po2

711

PO₂^-

Phosphorus dioxide anion

po2-

712

PO₂⁺

Phosphorus dioxide cation

po2+

713

SNO

Nitrogen oxide sulfide

sno

714

AsO₂

Aresenic dioxide

aso2

715

O₃^-

Ozone anion

o3-

716

O₃⁺

Ozone cation

o3+

717

SO₂

Sulfur dioxide

so2

718

SO₂^-

Sulfur dioxide anion

so2-

719

SO₂⁺

Sulfur dioxide cation

so2+

720

SSO

Disulfur monoxide

sso

721

S₃^-

Sulfur trimer anion

s3-

722

S₃⁺

Sulfur trimer cation

s3+

723

SeO₂

Selenium dioxide

seo2

724

SeO₂⁺

Selenium dioxide cation

seo2+

725

TeO₂

Tellurium Dioxide

teo2

726

HCCO

ketenyl radical

ketenyl

727

CS₂H⁺

Carbon disulfide, protonated

cs2h+

728

HCNO

fulminic acid

hcno

729

HNCO

Isocyanic acid

hnco

730

HOCN

cyanic acid

hocn

731

HNCS

Isothiocyanic acid

hncs

732

HSCN

thiocyanic acid

hscn

733

HCO₂^-

formate anion

hco2-

734

HNNO

nitrosoazane

hnno

735

HNNO⁺

Nitrous oxide, N-protonated

hnno+

736

NNOH⁺

Nitrous Oxide, O-protonated

nnoh+

737

HCOO

formate neutral radical

hcoo

738

HOCO

Hydrocarboxyl radical

hoco

739

HOCO⁺

Hydrocarboxyl cation

hoco+

740

HNO₂

Nitrous acid

hno2

741

HNO₂⁺

nitrous acid cation

hno2+

742

SO₂H⁺

protonated sulfur dioxide

so2h+

743

C₂H₂O

Oxirene

oxirene

744

CH₂CO

Ketene

ch2co

745

CH₂CO⁺

Ketene cation

ch2co+

746

HCCOH

ethynol

hccoh

747

CH₂CS

Thioketene

ch2cs

748

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

749

NH₂NO

Nitrosamide

nh2no

750

CH₂O₂

Dioxirane

diox

751

H₂COO⁺

dioxymethyl cation

h2coo+

752

H₂O₃

Hydrogen trioxide

h2o3

753

HSSSH

trisulfane

hsssh

754

NaOCH₃

Sodium methoxide

naoch3

755

CH₂BOH

hydroxy(methylene)borane

ch2boh

756

BH₃CO

Borane carbonyl

bh3co

757

CH₂CHO

Vinyloxy radical

ch2cho

758

CH₂COH⁺

ketene, protonated

ch2coh+

759

CH₃CO

Acetyl radical

ch3co

760

CH₃CO^-

Acetyl anion

ch3co-

761

CH₃CO⁺

acetyl cation

ch3co+

762

CH₂NOH

formaldoxime

ch2noh

763

CH₃NO

nitrosomethane

ch3no

764

CHONH₂

formamide

765

CNOH₃

1,2-oxaziridine

cnoh3

766

HOCHNH

hydroxymethylimine

hochnh

767

CHSNH₂

thioformamide

chsnh2

768

NHCHSH

Methanimidothioic acid

nhchsh

769

CH₂OOH

CH2OOH radical

ch2ooh

770

CH₃OO

methylperoxy radical

ch3oo

771

CH₃OO^-

methylperoxy anion

ch3oo-

772

CH₃OO⁺

methylperoxy cation

ch3oo+

773

C₂H₄O

Ethylene oxide

c2h4o

774

C₂H₄O⁺

ethylene oxide cation

c2h4o+

775

CH₂CHOH

ethenol

ch2choh

776

CH₃CHO

Acetaldehyde

ch3cho

777

CH₃CHO⁺

acetaldehyde cation

ch3cho+

778

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

779

C₂H₄S

Thiirane

thiirane

780

CH₂CHSH

Ethenethiol

ch2chsh

781

CH₃CHS

Thioacetaldehyde

ch3chs

782

H₂CONH₂⁺

protonated formamide

h2conh2+

783

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

784

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

785

CH₂(OH)₂

methanediol

ch2o2h2

786

CH₃OOH

Methyl peroxide

ch3ooh

787

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

788

HSCH₂SH

Methanedithiol

ch4s2

789

H₂OH₂CO

water formaldehyde dimer

h2oh2co

790

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

791

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

792

CH₃CH₂O

Ethoxy radical

ethoxy

793

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

794

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

795

CH₃OCH₂

methoxymethyl radical

ch3och2

796

NH₂CH₂OH

aminomethanol

nh2ch2oh

797

CH₃CH₂OH

Ethanol

etoh

798

CH₃OCH₃

Dimethyl ether

meome

799

CH₃CH₂SH

ethanethiol

etsh

800

CH₃SCH₃

Dimethyl sulfide

mesme

801

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

802

CH₃SeCH₃

dimethylselenide

dmse

803

CH₃OHH₂O

methanol water dimer

ch3ohh2o

804

H₂OCH₃OH

water methanol dimer

h2och3oh

805

CuF₂

Copper difluoride

cuf2

806

ZnF₂

Zinc difluoride

znf2

807

CNF

iso cyanogen fluoride

cnf

808

FCN

Cyanogen fluoride

fcn

809

ClCN

chlorocyanogen

clcn

810

BrCN

Cyanogen bromide

brcn

811

ICN

Cyanogen iodide

icn

812

FBO

Boron monofluoride monoxide

fbo

813

BeF₂

Beryllium fluoride

bef2

814

MgF₂

Magnesium fluoride

mgf2

815

BeCl₂

Beryllium chloride

becl2

816

MgCl₂

Magnesium dichloride

mgcl2

817

CaCl₂

Calcium Chloride

cacl2

818

ZnCl₂

Zinc dichloride

zncl2

819

BeBr₂

Beryllium bromide

bebr2

820

CaBr₂

Calcium dibromide

cabr2

821

CaF₂

Calcium difluoride

caf2

822

ClCO

carbonyl monochloride

clco

823

FNO

Nitrosyl fluoride

fno

824

ClNO

Nitrosyl chloride

clno

825

FNS

Thionitrosyl fluoride

fns

826

OPCl

Phosphorus oxychloride

opcl

827

BrNO

Nitrosyl bromide

brno

828

INO

Nitrosyl iodide

ino

829

CF₂^-

Difluoromethylene anion

cf2-

830

CF₂⁺

Difluoromethylene cation

cf2+

831

CFCl

chlorofluoromethylene

cfcl

832

SiF₂

Silicon difluoride

sif2

833

SiF₂⁺

Silicon difluoride cation

sif2+

834

CCl₂

dichloromethylene

ccl2

835

CCl₂^-

dichloromethylene anion

ccl2-

836

CCl₂⁺

dichloromethylene cation

ccl2+

837

SiCl₂

Dichlorosilylene

sicl2

838

GeF₂

Germanium difluoride

gef2

839

GeCl₂

Germanium dichloride

gecl2

840

CBr₂

dibromomethylene

cbr2

841

FOO

Dioxygen monofluoride radical

foo

842

FOO⁺

Fluorine dioxide cation

foo+

843

ClOO

chloroperoxy radical

cloo

844

ClOO⁺

chloroperoxy cation

cloo+

845

OClO

Chlorine dioxide

oclo

846

OClO⁺

Chlorine dioxide cation

oclo+

847

ClSO

Sulfur chloride oxide

clso

848

ClS₂

Sulfur chloride

cls2

849

BrOO

Bromine dioxide

broo

850

OBrO

Bromine dioxide radical

obro

851

NF₂

Difluoroamino radical

nf2

852

NF₂⁺

Difluoroamino cation

nf2+

853

PF₂

Phosphorus difluoride

pf2

854

PF₂⁺

Phosphorus difluoride cation

pf2+

855

FClO

chlorosyl fluoride

fclo

856

F₂O

Difluorine monoxide

f2o

857

ClOF

Chlorine hypofluorite

clof

858

SF₂

sulfur difluoride

sf2

859

SF₂^-

sulfur difluoride anion

sf2-

860

SF₂⁺

sulfur difluoride cation

sf2+

861

Cl₂O

Dichlorine monoxide

cl2o

862

SCl₂

Sulfur dichloride

scl2

863

SeF₂

Selenium difluoride

sef2

864

BrOCl

Bromine hypochlorite

brocl

865

SeCl₂

Selenium Dichloride

secl2

866

SBr₂

Sulfur dibromide

sbr2

867

SeBr₂

Selenium dibromide

sebr2

868

BrOBr

Bromine oxide

brobr

869

F₃^-

trifluoride anion

f3-

870

Cl₃^-

trichloride anion

cl3-

871

Br₃^-

tribromide anion

br3-

872

I₃^-

triiodide

i3-

873

SFCl

Sulfur chloride fluoride

sfcl

874

HCCF

Fluoroacetylene

hccf

875

HCCF⁺

fluoroacetylene cation

hccf+

876

HCCCl

Chloroacetylene

hcccl

877

HCCBr

bromoacetylene

hccbr

878

HFCO

formyl fluoride

hfco

879

HFCO⁺

formyl fluoride cation

hfco+

880

COHCl

Formyl chloride

cohcl

881

COHBr

Formyl bromide

cohbr

882

BHF₂

Difluoroborane

bhf2

883

BHCl₂

Borane, dichloro-

bhcl2

884

CHCl₂

dichloromethyl radical

chcl2

885

CHF₂

difluoromethyl radical

chf2

886

CHF₂⁺

difluoromethyl cation

chf2+

887

CHFCl

Chlorofluoromethyl radical

chfcl

888

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

889

CHCl₂⁺

dichloromethyl cation

chcl2+

890

CHBr₂

dibromomethyl radical

chbr2

891

HOClO

Chlorous acid

hoclo

892

NHF₂

difluoramine

nhf2

893

NHCl₂

dichloroamine

nhcl2

894

CH₂F₂

Methane, difluoro-

ch2f2

895

CH₂FCl

fluorochloromethane

ch2fcl

896

SiH₂F₂

difluorosilane

sih2f2

897

CH₂Cl₂

Methylene chloride

ch2cl2

898

CH₂BrF

Methane, bromofluoro-

ch2fbr

899

CH₂BrCl

Methane, bromochloro-

ch2clbr

900

CH₂FI

fluoroiodomethane

ch2fi

901

CH₂Br₂

dibromomethane

ch2br2

902

CH₂ClI

chloroiodomethane

ch2cli

903

CH₂BrI

bromoiodomethane

ch2bri

904

CH₂I₂

Diiodomethane

ch2i2

905

SiH₂Cl₂

dichlorosilane

sih2cl2

906

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

907

CH₂CHF

Ethene, fluoro-

ch2chf

908

CH₂CHF⁺

fluoroethene cation

ch2chf+

909

C₂H₃Cl

Ethene, chloro-

ch2chcl

910

C₂H₃Br

vinyl bromide

c2h3br

911

C₂H₃I

Vinyl iodide

c2h3i

912

CH₂FOH

fluoromethanol

ch2foh

913

CH₃OCl

methyl hypochlorite

ch3ocl

914

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

915

CHClCH₃

1-chloroethyl radical

chclch3

916

C₂H₅F

fluoroethane

c2h5f

917

CH₃CH₂Cl

Ethyl chloride

c2h5cl

918

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

919

C₂H₅Br

Ethyl bromide

etbr

920

C₂H₅I

Ethyl iodide

c2h5i

921

KrF₂

Krypton difluoride

krf2

922

XeF₂

Xenon difluoride

xef2

923

B₄H₁₀

Tetraborane(10)

b4h10

924

C₄

Carbon tetramer

925

C₄⁺

Carbon tetramer cation

c4+

926

C₄H₂

Diacetylene

c4h2

927

C₄H₂⁺

diacetlyene cation

c4h2+

928

C₂H₃CCH

1-Buten-3-yne

c2h3cch

929

C₄H₄

cyclobutadiene

cbd

930

H₂CCCCH₂

Butatriene

h2cccch2

931

C₄H₆

1-Methylcyclopropene

c3100047

932

C₄H₆

Cyclobutene

c822355

933

C₄H₆

Methylenecyclopropane

c6142730

934

CH₂CCHCH₃

1,2-Butadiene

butad12

935

CH₂CHCHCH₂

1,3-Butadiene

c106990

936

CH₃CCCH₃

2-Butyne

c503173

937

CHCCH₂CH₃

1-Butyne

c107006

938

CH₃CHCHCH₂

methylallyl radical

c4h7

939

C₄H₈

methylcyclopropane

mcp

940

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

941

CH₂CHCH₂CH₃

1-Butene

bute1

942

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

943

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

944

B(CH₃)₃

trimethylborane

bme3

945

Al(CH₃)₃

trimethyl aluminum

tma

946

C(CH₃)₃

Tert-butyl radical

tbutyl

947

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

948

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

949

CH₃CH(CH₃)CH₃

Isobutane

isobutane

950

CH₃CH₂CH₂CH₃

Butane

butane

951

SiH(CH₃)₃

trimethylsilane

trimsi

952

C₂N₂⁺

Cyanogen cation

c2n2+

953

P₄

Phosphorus tetramer

954

As₄

Arsenic tetramer

as4

955

HCCCN

Cyanoacetylene

hcccn

956

HCCCN⁺

Cyanoacetylene cation

hcccn+

957

H₂CNCN

cyanamide, methylene

ch2ncn

958

HNCCNH

Ethenediimine

hnccnh

959

C₃H₃N

acrylonitrile

ch2chcn

960

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

961

CH₃N₃

methyl azide

ch3n3

962

NH₂CCNH₂

Diaminoacetylene

daa

963

NH₂CH₂CN

Aminoacetonitrile

aan

964

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

965

C₂H₅CN

ethyl cyanide

c2h5cn

966

CH₅N₃

Guanidine

guanidine

967

C₄H₆

Bicyclo[1.1.0]butane

c157335

968

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

969

H₂NCHCHNH₂

diaminoethylene

dae

970

CH₆N₃⁺

guanidinium

ch6n3+

971

C₃H₇N

Cyclopropylamine

cpram

972

CH₇N₃

triaminomethane

tam

973

C₃H₇N

Azetidine

azet

974

C₄H₈

cyclobutane

cbutane

975

C₂H₈N₂

Ethylenediamine

ethdiam

976

CH₃NHNHCH₃

dimethyl hydrazine

dmh

977

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

978

N(CH₃)₃

Trimethylamine

trimeam

979

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

980

P(CH₃)₃

trimethylphosphine

tmp

981

N(SiH₃)₃

trisilylamine

tsa

982

As(CH₃)₃

trimethyl arsine

tmas

983

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

984

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

985

Li₂O₂

dilithium dioxide

li2o2

986

Na₂O₂

disodium dioxide

na2o2

987

K₂O₂

dipotassium dioxide

k2o2

988

B₂O₂

Diboron dioxide

b2o2

989

S₂N₂

Disulfur dinitride

s2n2

990

CO₃

Carbon trioxide

co3

991

CO₃^--

carbonate

co3--

992

CS₃^--

Carbonotrithioate

cs3--

993

NO₃

Nitrogen trioxide

no3

994

NO₃^-

nitrate anion

no3-

995

NO₃⁺

nitrogen trioxide cation

no3+

996

SO₃

Sulfur trioxide

so3

997

SO₃^-

Sulfur trioxide anion

so3-

998

SO₃^--

Sulfate dianion

so3--

999

SO₃⁺

Sulfur trioxide cation

so3+

1000

SeO₃

selenium trioxide

seo3

1001

S₄

Sulfur tetramer

1002

TeO₃

Tellurium trioxide

teo3

1003

HCO₃^-

bicarbonate anion

hco3-

1004

HNO₃

Nitric acid

hno3

1005

HSO₃

Hydroxysulfonyl radical

hso3

1006

NH₂NO₂

nitramide

nh2no2

1007

C₂H₂CO

cyclopropenone

c2h2co

1008

C₃H₂O

Propadienal

c3h2o

1009

HCCCHO

2-propynal

hcccho

1010

C₂H₂O₂

Ethanedial

c2h2o2

1011

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

1012

H₂CO₃

Carbonic acid

h2co3

1013

H₂CS₃

thiocarbonic acid

h2cs3

1014

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

1015

H₂SO₃

Sulfurous acid

h2so3

1016

C₂H₃NO

Nitrosoethylene

c2h3no

1017

CH₃NCO

methylisocyante

ch3nco

1018

HOCH₂CN

cyanomethanol

hoch2cn

1019

CH₃COO^-

acetate anion

ch3coo-

1020

CH₃NO₂

Methane, nitro-

ch3no2

1021

CH₃ONO

Methyl nitrite

ch3ono

1022

NH₂COOH

Carbamic acid

nh2cooh

1023

H₃BO₃

Boric acid

h3bo3

1024

H₃AlO₃

Aluminum hydroxide

h3alo3

1025

H₃CO₃⁺

carbonic acid, protonated

h3co3+

1026

C₃H₄O

2-Propyn-1-ol

c107197

1027

C₃H₄O

allenol

c9000071

1028

C₃H₄O

Cyclopropanone

cpone

1029

C₃H₄O

Methylketene

c6004440

1030

CH₂CHCHO

Acrolein

c3h4o

1031

NH₂CONH₂

Urea

urea

1032

NH₂CONH₂⁺

Urea cation

urea+

1033

NH₂CSNH₂

Thiourea

thiourea

1034

C₂H₄O₂

1,3-dioxetane

c2h4o2

1035

CH₃COOH

Acetic acid

ch3cooh

1036

CH₃OCHO

methyl formate

ch3ocho

1037

CHOCH₂OH

hydroxy acetaldehyde

haa

1038

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

1039

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

1040

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

1041

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

1042

HCOOHH₂O

Formic acid water dimer

hcoohh2o

1043

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

1044

CH₃COCH₂

Acetonyl radical

ch3coch2

1045

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

1046

CH₃C(OH)=NH

Ethaninidic acid

eia

1047

CH₃CHNOH

Acetaldoxime

acetaldoxime

1048

CH₃CONH₂

Acetamide

acetamide

1049

HCONHCH₃

N-methylformamide

nmfa

1050

CH₃CSNH₂

Ethanethioamide

ch3csnh2

1051

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

1052

H₂NCOHNH₂⁺

urea, protonated

ureah+

1053

C₂H₅OO

ethylperoxy radical

c2h5oo

1054

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1055

C₃H₅OH

Cyclopropanol

cproh

1056

C₃H₆O

2-Propen-1-ol

c107186

1057

C₃H₆O

Acetone enol

enol

1058

C₃H₆O

Oxetane

oxetane

1059

C₃H₆O

Propylene oxide

prox

1060

CH₃CH₂CHO

Propanal

propanal

1061

CH₃COCH₃

Acetone

acetone

1062

CH₃COCH₃^-

acetone anion

ch3coch3-

1063

C₃H₆S

Thietane

thietane

1064

C₃H₆S

Thiirane, methyl-

methiirane

1065

CH₃CSCH₃

Thioacetone

ch3csch3

1066

C₂H₆O₂

1,2-Ethanediol

ethdiol

1067

CH₃OOCH₃

dimethylperoxide

dmp

1068

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1069

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1070

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1071

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1072

HOCH₂CH₂NH₂

monoethanolamine

mea

1073

C₃H₇OH

1-Propanol

proh

1074

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1075

CH₃OC₂H₅

Ethane, methoxy-

etome

1076

C₃H₇SH

1-Propanethiol

prsh

1077

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1078

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1079

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1080

Li₂F₂

Lithium fluoride dimer

li2f2

1081

Na₂F₂

Sodium Fluoride Dimer

na2f2

1082

Na₂Cl₂

Disodium dichloride

na2cl2

1083

C₂F₂

difluoroacetylene

c2f2

1084

C₂Cl₂

dichloroacetylene

c2cl2

1085

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1086

FNO₂

Nitryl fluoride

fno2

1087

FONO

Nitrosyl hypofluorite

fono

1088

ClNO₂

Nitryl chloride

clno2

1089

ClONO

chlorine nitrite

clono

1090

BrONO

Bromine nitrite

brono

1091

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1092

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1093

CF₂O

Carbonic difluoride

f2co

1094

CF₂O⁺

Carbonic difluoride cation

f2co+

1095

COFCl

Carbonic chloride fluoride

cofcl

1096

CCl₂O

Phosgene

cl2co

1097

Cl₂CS

Thiophosgene

cl2cs

1098

COBr₂

Carbonic dibromide

cobr2

1099

BF₃

Borane, trifluoro-

bf3

1100

BF₃^-

Borane, trifluoro- anion

bf3-

1101

BF₃⁺

boron trifluoride cation

bf3+

1102

AlF₃

Aluminum trifluoride

alf3

1103

BClF₂

Chlorodifluoroborane

bclf2

1104

AlF₂Cl

Aluminum chloride difluoride

alclf2

1105

ScF₃

Scandium trifluoride

ScF3

1106

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1107

BCl₃

Borane, trichloro-

bcl3

1108

BCl₃⁺

Boron Trichloride cation

bcl3+

1109

GaF₃

Gallium trifluoride

gaf3

1110

AlCl₃

Aluminum trichloride

alcl3

1111

GaCl₃

Gallium trichloride

gacl3

1112

BBr₃

Boron tribromide

bbr3

1113

AlBr₃

Aluminum Bromide

albr3

1114

ClO₃

Chlorine trioxide

clo3

1115

ClO₃^-

chlorate anion

clo3-

1116

BrO₃^-

Bromate anion

bro3-

1117

CF₃

Trifluoromethyl radical

cf3

1118

CF₃^-

Trifluoromethyl anion

cf3-

1119

CF₃⁺

Trifluoromethyl cation

cf3+

1120

CF₂Cl

difluorochloromethyl radical

cf2cl

1121

SiF₃

Silicon trifluoride radical

sif3

1122

SiF₃⁺

Silicon trifluoride cation

sif3+

1123

CFCl₂

dichlorofluoromethyl radical

cfcl2

1124

CCl₃

Trichloromethyl radical

ccl3

1125

CCl₃^-

Trichloromethyl anion

ccl3-

1126

CCl₃⁺

Trichloromethyl cation

ccl3+

1127

SiCl₃

trichlorosilyl radical

sicl3

1128

SiCl₃⁺

trichlorosilyl cation

sicl3+

1129

CBr₃

tribromomethyl radical

cbr3

1130

FOOF

Perfluoroperoxide

foof

1131

ClO₂F

Chloryl fluoride

clo2f

1132

F₂SO

Thionyl Fluoride

f2so

1133

ClOOCl

Dichlorine dioxide

cloocl

1134

FSSF

Difluorodisulfane

fssf

1135

S₂F₂

Thio-thionyl fluoride

s2f2

1136

SOCl₂

thionyl chloride

socl2

1137

SSCl₂

Thiothionyl chloride

sscl2

1138

SeOCl₂

selenium oxychloride

seocl2

1139

NF₃

Nitrogen trifluoride

nf3

1140

NF₃^-

Nitrogen trifluoride anion

nf3-

1141

NF₃⁺

Nitrogen trifluoride cation

nf3+

1142

PF₃

Phosphorus trifluoride

pf3

1143

NCl₃

nitrogen trichloride

ncl3

1144

AsF₃

Arsenic trifluoride

asf3

1145

PCl₃

Phosphorus trichloride

pcl3

1146

SbF₃

Antimony Trifluoride

sbf3

1147

AsCl₃

Arsenous trichloride

ascl3

1148

SbCl₃

Antimony Trichloride

sbcl3

1149

NBr₃

Nitrogen Tribromide

nbr3

1150

PBr₃

Phosphorus tribromide

pbr3

1151

AsBr₃

Arsenic tribromide

asbr3

1152

NI₃

Nitrogen triiodide

ni3

1153

PI₃

Phosphorus triiodide

pi3

1154

ClSSCl

Disulfur dichloride

s2cl2

1155

SF₃

Sulfur trifluoride

sf3

1156

ClF₃

Chlorine trifluoride

clf3

1157

BrF₃

Bromine trifluoride

brf3

1158

IF₃

iodone trifluoride

if3

1159

HClO₃

Chloric Acid

hclo3

1160

CHF₃

Methane, trifluoro-

chf3

1161

CHF₂Cl

difluorochloromethane

chf2cl

1162

SiHF₃

trifluorosilane

sihf3

1163

CHFCl₂

fluorodichloromethane

chfcl2

1164

CDCl₃

trichloromethane-d

cdcl3

1165

CHCl₃

Chloroform

chcl3

1166

CHBrF₂

Methane, bromodifluoro-

chbrf2

1167

SiHCl₃

Trichlorosilane

sihcl3

1168

CHFClBr

fluorochlorobromomethane

chfclbr

1169

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1170

CHF₂I

difluoroiodomethane

chf2i

1171

CHBr₂F

dibromofluoromethane

chbr2f

1172

CHFClI

fluorochloroiodomethane

chfcli

1173

CHCl₂I

dichloroiodomethane

chcl2i

1174

CHClBr₂

Methane, dibromochloro-

chclbr2

1175

CHBr₃

bromoform

chbr3

1176

CHI₃

Iodoform

chi3

1177

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1178

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1179

C₂H₂F₂

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

c2h2f2e

1180

C₂H₂F₂

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

c2h2f2z

1181

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1182

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1183

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1184

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1185

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1186

CHClCHCl

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

chclchcle

1187

CHClCHCl

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

chclchclz

1188

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1189

CHBrCHBr

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

chbrchbre

1190

CHBrCHBr

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

chbrchbrz

1191

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1192

CH₃COF

Acetyl fluoride

ch3cof

1193

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1194

CH₃COCl

Acetyl Chloride

ch3cocl

1195

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1196

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1197

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1198

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1199

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1200

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1201

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1202

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1203

CH₂CFCH₃

2-fluoropropene

2fpro

1204

CH₂CHCH₂F

Allyl Fluoride

allylf

1205

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1206

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1207

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1208

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1209

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1210

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1211

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1212

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1213

CH₃CHFCH₃

2-Fluoropropane

prf2

1214

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1215

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1216

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1217

CH₃CHBrCH₃

i-propyl bromide

iprbr

1218

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1219

B₅H₉

pentaborane9

b5h9

1220

C₅H₄

pentatetraene

ptrene

1221

C₅H₅

cyclopentadienyl radical

c5h5

1222

C₅H₅^-

cylopentadienyl anion

c5h5-

1223

C₅H₆

1,3-Cyclopentadiene

c542927

1224

C₅H₆

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

c78808

1225

C₅H₆

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

c2004695

1226

C₅H₆

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

c1574409

1227

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1228

C₅H₆

Cyclopropylacetylene

c6746947

1229

C₅H₆

Propellane

propellane

1230

C₅H₇

1,3-pentadienyl radical

pdyl

1231

C₅H₇

cyclopentenyl radical

cpyl

1232

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1233

C₅H₈

1,2-Pentadiene

c591957

1234

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1235

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1236

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1237

C₅H₈

1,4-Pentadiene

c591935

1238

C₅H₈

1-pentyne

a1pentyne

1239

C₅H₈

2,3-Pentadiene

c591968

1240

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1241

C₅H₈

Cyclobutane, methylene-

c1120565

1242

C₅H₈

Cyclopentene

c142290

1243

C₅H₈

Ethenylcyclopropane

c693867

1244

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1245

C₅H₁₀

1-Butene, 2-methyl-

c563462

1246

C₅H₁₀

2-Butene, 2-methyl-

c513359

1247

C₅H₁₀

2-Pentene, (E)-

c646048

1248

C₅H₁₀

2-Pentene, (Z)-

c627203

1249

C₅H₁₀

Cyclopentane

c287923

1250

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1251

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1252

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1253

C₅H₁₂

Butane, 2-methyl-

buta2

1254

C₅H₁₂

Pentane

pentane

1255

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1256

Si(CH₃)₄

tetramethylsilane

tms

1257

N₂O₃

Dinitrogen trioxide

n2o3

1258

C₃H₂N₂

Malononitrile

c3h2n2

1259

CH₂N₄

1H-Tetrazole

1htz

1260

C₃H₃N₂

imidazolyl radical

1261

C₃H₃N₂^-

imidizolyl anion

im-

1262

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1263

C₄H₄N

pyrrolide radical

c4h4n

1264

C₄H₄N^-

pyrrolide anion

c4h4n-

1265

C₃H₄N₂

1H-Imidazole

1himidaz

1266

C₃H₄N₂

1H-Pyrazole

1hpyraz

1267

C₃H₄N₂

2H-Imidazole

imid2h

1268

C₃H₄N₂

4H-Imidazole

imid4h

1269

C₄H₅N

(E)-2-Butenenitrile

c627269

1270

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1271

C₄H₅N

2H-pyrrole

pyrrole2

1272

C₄H₅N

3H-pyrrole

pyrrole3

1273

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1274

C₄H₅N

Pyrrole

pyrrole

1275

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1276

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1277

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1278

C₄H₆N⁺

pyrrole, protonated

ppyr

1279

C₃H₆N₂

3-Aminopropionitrile

c151188

1280

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1281

CH₃CH₂CH₂CN

Butanenitrile

c109740

1282

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1283

C₅H₈

Spiropentane

c157404

1284

C₄H₉N

Cyclobutylamine

cbam

1285

C₄H₉N

Pyrrolidine

pyrrolidine

1286

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1287

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1288

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1289

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1290

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1291

NH(C₂H₅)₂

diethylamine

dea

1292

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1293

C₃O₂

Carbon suboxide

c3o2

1294

C₃O₂⁺

Carbon suboxide cation

c3o2+

1295

B₂O₃

diboron trioxide

b2o3

1296

MgCO₃

Magnesium Carbonate

mgco3

1297

BeCO₃

Beryllium Carbonate

beco3

1298

CaCO₃

Calcium Carbonate

caco3

1299

ONONO

Nitrosyl nitrite

onono

1300

PO₄^---

phosphate

po4---

1301

SO₄^--

sulfate

so4--

1302

HOONO₂

peroxy nitric acid

hoono2

1303

HSO₄^-

bisulfate anion

hso4-

1304

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1305

C₃H₂O₂

Propiolic acid

c3h2o2

1306

CHOCOOH

oxo acetic acid

oaa

1307

CHOOCHO

diformyl ether

choocho

1308

H₂SO₄

Sulfuric acid

h2so4

1309

H₂SeO₄

Selenic acid

h2seo4

1310

C₃H₃NO

Isoxazole

isox

1311

C₃H₃NO

Oxazole

oxazole

1312

C₃H₃NS

Thiazole

thiazole

1313

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1314

CH₃NO₃

Methyl nitrate

ch3no3

1315

H₃PO₄

Phosphoric Acid

h3po4

1316

C₄H₄O

Furan

furan

1317

C₄H₄O⁺

Furan cation

furan+

1318

CH₃COCCH

3-butyn-2-one

c1423605

1319

C₄H₄S

Thiophene

furans

1320

C₄H₄Se

selenophene

c4h4se

1321

C₃H₄O₂

β–Propiolactone

beta

1322

C₃H₄O₂

2-Propenoic acid

propenoic2

1323

C₃H₄O₂

Methyl glyoxal

megly

1324

C₃H₄O₂

propanedial

1325

C₃H₄O₂

propenalol

1326

HOCHCCHOH

allenediol

aldiol

1327

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1328

C₂H₄O₃

trioxolane124

triox

1329

HOCH₂COOH

Hydroxyacetic acid

hac

1330

CH₂CHCONH₂

Acrylamide

c79061

1331

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1332

CH₅N₃S

Hydrazinecarbothioamide

c79196

1333

H₂NCH₂COOH

Glycine

glycine

1334

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1335

C₄H₆O

cis-2-butenal

butenal2c

1336

C₄H₆O

Cyclobutanone

cbutone

1337

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1338

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1339

CH₂CHOCHCH₂

Vinyl ether

vinylether

1340

CHOCHCHCH₃

2-Butenal

butenal2

1341

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1342

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1343

CH₂CHSCHCH₂

Divinyl sulfide

divis

1344

C₂H₆N₂O

Urea, methyl-

c598505

1345

C₃H₆O₂

1,3-Dioxolane

dioxolane

1346

CH₃CH₂COOH

Propanoic Acid

propanoic

1347

CH₃COOCH₃

methyl acetate

aame

1348

HCOOC₂H₅

Ethyl formate

faee

1349

C₂H₆O₂S

Dimethyl sulfone

c67710

1350

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1351

C₃H₇NO

dimethylformamide

dmf

1352

C₃H₇NO

Propanamide

propanam

1353

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1354

C₄H₈O

Cyclobutanol

c2919235

1355

C₄H₈O

Furan, tetrahydro-

thf

1356

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1357

CH₃COCH₂CH₃

2-Butanone

buta2one

1358

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1359

CHOCH₂CH₂CH₃

Butanal

butanal

1360

C₄H₈S

Thiophene, tetrahydro-

tht

1361

C₃H₈O₂

1,3-Propanediol

c504632

1362

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1363

C₃H₈O₂

Methane, dimethoxy-

c109875

1364

C₃H₈O₂

Propylene glycol

c57556

1365

C₃H₈S₂

1,3-Propanedithiol

c109808

1366

C₄H₁₀O

1-Butanol

butanol1

1367

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1368

C₄H₁₀O

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

butanol2

1369

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1370

C₄H₁₀O

Ethoxy ethane

etoet

1371

C₄H₁₀O

Methyl propyl ether

meopr

1372

C₄H₁₀O

Propane, 2-methoxy-

c598538

1373

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1374

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1375

C₂H₅SC₂H₅

Diethyl sulfide

etset

1376

C₄H₉SH

1-Butanethiol

bush

1377

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1378

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1379

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1380

FNO₃

Fluorine nitrate

fno3

1381

ClONO₂

Chlorine nitrate

clono2

1382

BrONO₂

Bromine nitrate

brono2

1383

TiCl₄

Titanium tetrachloride

ticl4

1384

ClO₄^-

perchlorate anion

clo4-

1385

BF₄^-

tetrafluoroboron anion

bf4-

1386

ClFO₃

Perchloryl fluoride

clfo3

1387

SO₂F₂

Sulfuryl fluoride

so2f2

1388

SO₂Cl₂

Sulfuryl chloride

so2cl2

1389

F₃NO

Nitrogen trifluoride oxide

f3no

1390

F₃PO

Phosphoryl fluoride

pf3o

1391

Cl₃PO

Phosphoryl chloride

pcl3o

1392

CF₄

Carbon tetrafluoride

cf4

1393

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1394

SiF₄

Silicon tetrafluoride

sif4

1395

CF₂Cl₂

difluorodichloromethane

cf2cl2

1396

TiF₄

Titanium tetrafluoride

tif4

1397

CFCl₃

Trichloromonofluoromethane

cfcl3

1398

CF₃Br

Bromotrifluoromethane

cf3br

1399

GeF₄

Germanium tetrafluoride

gef4

1400

CCl₄

Carbon tetrachloride

ccl4

1401

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1402

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1403

SiCl₄

Silane, tetrachloro-

sicl4

1404

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1405

CF₃I

trifluoroiodomethane

cf3i

1406

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1407

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1408

GeCl₄

Germanium Tetrachloride

gecl4

1409

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1410

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1411

CCl₃I

trichloroiodomethane

ccl3i

1412

CFBr₃

fluorotribromomethane

cfbr3

1413

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1414

CBr₃Cl

tribromochloromethane

cbr3cl

1415

CF₂I₂

difluorodiiodomethane

cf2i2

1416

CBr₄

Carbon tetrabromide

cbr4

1417

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1418

SiBr₄

Silicon tetrabromide

sibr4

1419

CBr₃I

tribromoiododmethane

cbr3i

1420

GeBr₄

Germanium tetrabromide

gebr4

1421

CI₄

tetraiodomethane

ci4

1422

SiI₄

silicon tetraiodide

sii4

1423

ClOF₃

Chlorine trifluoride oxide

clof3

1424

SF₄

Sulfur tetrafluoride

sf4

1425

SeF₄

Selenium tetrafluoride

sef4

1426

SCl₄

Sulfur tetrachloride

scl4

1427

C₂HF₃

Trifluoroethylene

c2hf3

1428

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1429

CHClCCl₂

Trichloroethylene

chclccl2

1430

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1431

HClO₄

perchloric acid

hclo4

1432

HSO₃F

Fluorosulfonic acid

hso3f

1433

CF₃OH

trifluoromethanol

cf3oh

1434

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1435

CHClCCHCl

1,3-dichloroallene

chclcchcl

1436

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1437

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1438

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1439

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1440

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1441

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1442

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1443

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1444

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1445

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1446

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1447

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1448

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1449

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1450

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1451

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1452

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1453

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1454

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1455

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1456

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1457

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1458

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1459

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1460

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1461

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1462

CH₃CClCHCH₃

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

bute2cl2e

1463

CH₃CClCHCH₃

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

bute2cl2z

1464

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1465

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1466

C₄H₉F

1-fluorobutane

butaf1

1467

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1468

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1469

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1470

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1471

XeF₄

Xenon tetrafluoride

xef4

1472

C₂H₂N₂O

Furazan

furazan

1473

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1474

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1475

C₆H₂

hexatriyne

c6h2

1476

C₆H₄

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

c6h4e

1477

C₆H₄

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

c6h4z

1478

C₆H₄

Benzyne

benzyne

1479

C₆H₅

phenyl

1480

C₆H₅^-

phenyl anion

phenyl-

1481

C₆H₆

Prismane

prismane

1482

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1483

C₆H₆

2,4-Hexadiyne

hexadiyne

1484

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1485

C₆H₆

Benzene

benzene

1486

C₆H₆

Benzvalene

1487

C₆H₆

Dewar Benzene

dewar

1488

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1489

C₆H₆

Trimethylenecycopropane

tmcp

1490

C₆H₆⁺

Benzene cation

c6h6+

1491

C₆H₇⁺

benzene, protonated

c6h7+

1492

C₆H₈

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

c821078

1493

C₆H₈

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

c59660650

1494

C₆H₈

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

hexatri135

1495

C₆H₈

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

hetr234c

1496

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1497

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1498

C₆H₈

3-Methylenecyclopentene

c930267

1499

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1500

C₆H₈

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

c30830207

1501

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1502

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1503

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1504

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1505

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1506

C₆H₁₀

1,5-Hexadiene

c592427

1507

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1508

C₆H₁₀

1-Hexyne

hexyne1

1509

C₆H₁₀

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

hexdi24ee

1510

C₆H₁₀

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

hexdi24ez

1511

C₆H₁₀

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

hexdi24zz

1512

C₆H₁₀

2-Hexyne

c764352

1513

C₆H₁₀

3-Hexyne

hexyne3

1514

C₆H₁₀

cyclohexene

1515

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1516

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1517

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1518

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1519

C₆H₁₂

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

dmcb12t

1520

C₆H₁₂

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

dmcb13t

1521

C₆H₁₂

(E)-2-Hexene

e2hexene

1522

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1523

C₆H₁₂

(E)-hex-3-ene

e3hexene

1524

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1525

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1526

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1527

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1528

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1529

C₆H₁₂

3-methylenepentane

c760214

1530

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1531

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1532

C₆H₁₂

Cyclohexane

cyclohexane

1533

C₆H₁₂

Cyclopentane, methyl-

c96377

1534

C₆H₁₂

Ethylcyclobutane

c4806615

1535

C₆H₁₂

hex-1-ene

hexene1

1536

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1537

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1538

C₆H₁₄

Hexane

hexane

1539

C₆H₁₄

Pentane, 2-methyl-

penta2

1540

C₆H₁₄

Pentane, 3-methyl-

penta3

1541

C₄N₂

2-Butynedinitrile

c4n2

1542

N₃P₃

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

n3p3

1543

C₄H₂N₂

Fumaronitrile

c4h2n2

1544

C₂H₂N₄

sym-tetrazine

ttz

1545

C₃H₃N₃

1,3,5-Triazine

triazine135

1546

CH₃N₅

5-Aminotetrazole

c4418615

1547

C₄H₄N₂

1,3-Diazine

diazine13

1548

C₄H₄N₂

Pyrazine

pyrazine

1549

C₄H₄N₂

Pyridazine

pyridazine

1550

C₄H₄N₂

Succinonitrile

c110612

1551

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1552

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1553

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1554

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1555

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1556

C₅H₅N

Pyridine

pyridine

1557

B₃N₃H₆

borazine

1558

C₆H₆

Fulvene

fulvene

1559

C₅H₆N⁺

Pyridinium

c5h6n

1560

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1561

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1562

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1563

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1564

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1565

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1566

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1567

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1568

C₅H₉N

Pentanenitrile

c110598

1569

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1570

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1571

C₅H₁₁N

Cyclopentanamine

cypentam

1572

C₅H₁₁N

Piperidine

piper

1573

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1574

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1575

Li₂CO₃

Lithium Carbonate

li2co3

1576

Na₂CO₃

Sodium Carbonate

na2co3

1577

C₂O₄^--

oxalate anion

c2o4

1578

MgSO₄

Magnesium Sulfate

mgso4

1579

N₂O₄

Dinitrogen tetroxide

n2o4

1580

C₃H₂O₃

vinylene carbonate

vica

1581

C₂H₂O₄

Oxalic Acid

oxalic

1582

C₂H₃NO₃

Oxamic acid

oxamic

1583

C₄H₄O₂

2(5H)-Furanone

furanone

1584

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1585

C₂H₄N₂O₂

Oxalamide

oxalamide

1586

C₂H₄N₂S₂

Ethanedithioamide

c79403

1587

C₂H₄CO₃

Ethylene carbonate

etco3

1588

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1589

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1590

C₂H₄O₄

Formic acid dimer

fadimer

1591

C₄H₅NO

3-Methylisoxazole

isox3m

1592

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1593

C₄H₅NS

4-Methylthiazole

c693958

1594

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1595

C₅H₆O

2H-Pyran

pyran2

1596

C₅H₆O

2-methylfuran

furan2m

1597

C₅H₆O

3-Methylfuran

furan3m

1598

C₅H₆O

Pentadienal

pdal

1599

C₅H₆S

Thiophene, 2-methyl-

c554143

1600

C₅H₆S

Thiophene, 3-methyl-

c616444

1601

C₄H₆O₂

γ–Butyrolactone

c96480

1602

C₄H₆O₂

2,3-Butanedione

c431038

1603

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1604

C₄H₆O₂

Crotonic Acid

crot

1605

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1606

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1607

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1608

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1609

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1610

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1611

C₄H₆OS

Vinyl sulfoxide

c1115157

1612

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1613

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1614

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1615

C₃H₆O₃

1,3,5-Trioxane

trioxane

1616

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1617

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1618

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1619

C₄H₇NO

2-Pyrrolidinone

c616455

1620

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1621

C₄H₇NO

Methacrylamide

c79390

1622

C₄H₇NO

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

c1120645

1623

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1624

C₃H₇ONO

Propyl nitrite

prono

1625

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1626

CH₃CH(NH₂)COOH

Alanine

alanine

1627

CH₃NHCH₂COOH

Sarcosine

sarcosine

1628

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1629

NH₂COOC₂H₅

Urethane

urethane

1630

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1631

C₅H₈O

Cyclopentanone

c120923

1632

C₅H₈O

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

c1487156

1633

C₅H₈O

Methyl cyclopropyl ketone

c765435

1634

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1635

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1636

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1637

C₄H₈O₂

1,3-Dioxane

dioxan13

1638

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1639

C₄H₈O₂

1,4-Dioxane

dioxan14

1640

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1641

C₄H₈O₂

Ethyl acetate

c141786

1642

C₄H₈OS

s-Ethyl thioacetate

c625605

1643

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1644

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1645

C₄H₉NO

Butanamide

c541355

1646

C₄H₉NO

Propanamide, 2-methyl-

c563837

1647

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1648

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1649

C₅H₁₀O

2-methylbutyraldehyde

2meba

1650

C₅H₁₀O

2-Pentanone

mpk

1651

C₅H₁₀O

3-Pentanone

dek

1652

C₅H₁₀O

Cyclopentanol

c96413

1653

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1654

C₅H₁₀O

Pentanal

pal

1655

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1656

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1657

C₅H₁₀S

Cyclopentanethiol

c1679078

1658

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1659

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1660

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1661

C₄H₁₀O₂

1,3-Butanediol

budiol13

1662

C₄H₁₀O₂

1,4-Butanediol

budiol14

1663

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1664

C₄H₁₀OS

Diethyl sulfoxide

c70291

1665

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1666

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1667

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1668

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1669

C₅H₁₂O

1-Pentanol

pentanol1

1670

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1671

C₅H₁₂O

2-Pentanol

peol2

1672

C₅H₁₂O

3-Pentanol

pentan3ol

1673

C₅H₁₂O

Butane, 1-methoxy-

meobu

1674

C₅H₁₂O

Propane, 1-ethoxy-

proet

1675

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1676

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1677

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1678

C₅H₁₂S

1-Pentanethiol

c110667

1679

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1680

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1681

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1682

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1683

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1684

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1685

C₅H₁₂S

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

c6163640

1686

C₄F₂

difluorobutadiyne

c4f2

1687

ClCOClCO

Oxalyl chloride

oxcl

1688

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1689

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1690

B₂F₄

Diboron tetrafluoride

b2f4

1691

B₂Cl₄

Diboron tetrachloride

b2cl4

1692

C₂F₄

Tetrafluoroethylene

c2f4

1693

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1694

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1695

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1696

CFClCClF

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

cfclcclf

1697

CFClCFCl

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

cfclcfcl

1698

C₂FCl₃

fluorotrichloroethene

c2fcl3

1699

C₂Cl₄

Tetrachloroethylene

c2cl4

1700

C₂Br₄

tetrabromoethene

c2br4

1701

CF₃OF

Trifluoromethylhypofluorite

cf3of

1702

SiF₅^-

silicon pentafluoride anion

sif5-

1703

SOF₄

Sulfur tetrafluoride oxide

sof4

1704

PF₅

Phosphorus pentafluoride

pf5

1705

AsF₅

Arsenic pentafluoride

asf5

1706

PCl₅

Phosphorus pentachloride

pcl5

1707

SF₅

Sulfur pentafluoride

sf5

1708

SF₅⁺

pentafluoro sulfur cation

sf5+

1709

SbCl₅

Antimony pentachloride

sbcl5

1710

BrF₅

bromine pentafluoride

brf5

1711

ClF₅

chlorinepentafluoride

clf5

1712

IF₅

pentafluoroiodine

if5

1713

CF₃CHO

trifluoroacetaldehyde

cf3cho

1714

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1715

CHFClCHClF

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

chfclchclf

1716

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1717

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1718

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1719

CHFClCHFCl

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

chfclchfcl

1720

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1721

CHCl₂CHCl₂

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

chcl2chcl2

1722

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1723

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1724

CF₃COOH

trifluoroacetic acid

cf3cooh

1725

C₄H₃ClO

Furan, 2-chloro

fur2cl

1726

C₄H₃ClO

Furan,3-chloro

fur3cl

1727

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1728

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1729

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1730

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1731

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1732

C₄H₈Cl₂

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

c2211678

1733

C₄H₈Cl₂

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

c4028562

1734

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1735

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1736

C₄H₈O₂

Butanoic acid

bua

1737

C₆H₅CH₂

benzyl radical

benzyl

1738

C₇H₇

cycloheptatrienyl radical

c7h7

1739

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1740

C₆H₅CH₃

toluene

1741

C₇H₈

cycloheptatriene

cht

1742

C₇H₈

Norbornadiene

norbor

1743

C₇H₈

Quadricyclane

qucy

1744

C₇H₁₂

Norbornane

nor

1745

C₇H₁₄

cycloheptane

c7h14

1746

C₇H₁₆

2-methylhexane

2mhex

1747

C₇H₁₆

3-methylhexane

hex3m

1748

C₇H₁₆

heptane

1749

CH(CN)₃

tricyanomethane

mecn3

1750

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1751

C₆H₇N

2-Methylpyridine

1752

C₆H₅NH₂

aniline

1753

C₆H₁₃N

2-Methylpiperidine

pip2m

1754

C₆H₁₃N

cyclohexanamine

cham

1755

C₆H₁₅N

triethylamine

tea

1756

N₂O₅

Dinitrogen pentoxide

n2o5

1757

C₄H₂O₃

Maleic Anhydride

malan

1758

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1759

C₅H₄O₂

furfural

1760

C₆H₅O

phenoxy radical

phenoxy

1761

C₅H₅NO

2(1H)-Pyridinone

c72762006

1762

C₅H₅NO

2(3H)-Pyridinone

c9000048

1763

C₅H₅NO

2(5H)-Pyridinone

c9000037

1764

C₅H₅NO

2-Pyridinol

c109104

1765

C₅H₅NO

3(2H)-Pyridinone

c9000004

1766

C₅H₅NO

3(4H)-Pyridinone

c9000026

1767

C₅H₅NO

3(6H)-Pyridinone

c9000015

1768

C₅H₅NO

3-Pyridinol

c109002

1769

C₅H₅NO

4(1H)-Pryidinone

c9000060

1770

C₅H₅NO

4(3H)-Pryidinone

c9000059

1771

C₅H₅NO

4-Pyridinol

c626642

1772

C₆H₅OH

phenol

1773

C₆H₆O

2,4-Cyclohexadienone

c24599573

1774

C₆H₆O

2,5-Cyclohexadienone

c5664335

1775

C₆H₅SH

Benzenethiol

phsh

1776

HO₂CCHNH₂CH₂OH

Serine

serine

1777

C₅H₈O₂

Acetylacetone

acac

1778

C₄H₈O₂S

Sulfolane

sulfolane

1779

C₇H₁₀

Norbornene

norbornene

1780

CH(C₂H₃)₃

trivinyl methane

tvm

1781

C₆H₁₀O

cyclohexanone

chexo

1782

C₆H₁₂O

hexanal

c6h12o

1783

C₆H₁₂O

Oxepane

oxepane

1784

C₃H₇OC₃H₇

di-n-propyl ether

propr

1785

F₂CCCF₂

tetrafluoroallene

pfa

1786

CF₃COO^-

trifluoro acetate anion

cf3coo-

1787

CF₃COF

trifluoroacetyl fluoride

cf3cof

1788

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1789

PF₆

Hexafluorophosphate neutral

pf6

1790

PF₆^-

Hexafluorophosphate ion

pf6-

1791

SF₆

Sulfur Hexafluoride

sf6

1792

SeF₆

Selenium hexafluoride

sef6

1793

SF₅Cl

sulfur chloropentafluoride

sf5cl

1794

CF₃CHF₂

pentafluoroethane

cf3chf2

1795

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1796

CF₃CHCl₂

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

cf3chcl2

1797

CHCl₂CClF₂

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

chcl2cclf2

1798

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1799

C₆H₅F

Fluorobenzene

bzf

1800

C₆H₅Cl

chlorobenzene

bzcl

1801

C₆H₅Br

bromobenzene

bzbr

1802

C₈H₆

Calicene

calicene

1803

C₆H₅CCH

phenylacetylene

phac

1804

C₈H₆

benzocyclobutadiene

bcbd

1805

C₈H₆

Pentalene

pentalene

1806

C₆H₅CHCH₂

Styrene

styrene

1807

C₈H₈

cubane

1808

C₈H₈

cyclooctatetraene

cot

1809

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1810

CH₃C₆H₄CH₃

meta-xylene

mxylene

1811

CH₃C₆H₄CH₃

paraxylene

pxylene

1812

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1813

C₈H₁₆

cyclooctane

cyclooct

1814

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1815

C₈H₁₈

Octane

c8h18

1816

C₆H₅CN

phenyl cyanide

phcn

1817

C₆H₁₂N₂

Triethylenediamine

ted

1818

C₄O₄^--

squarate dianion

c4o4--

1819

S₄N₄

Tetrasulfur tetranitride

s4n4

1820

S₈

Octasulfur

1821

C₆H₄O₂

parabenzoquinone

pbq

1822

C₄H₄N₂O₂

Uracil

uracil

1823

C₆H₅CHO

benzaldehyde

benzal

1824

C₆H₅OCH₃

Anisole

anisole

1825

C₅H₉NO₂

Proline

proline

1826

C₆H₁₂O₂

Methyl pivalate

c598981

1827

C₆H₁₂O₂

Hexanoic acid

hexa

1828

C₄F₄

tetrafluorcyclobutadiene

c4f4

1829

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1830

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1831

CF₂ClCF₂Cl

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

cf2clcf2cl

1832

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1833

CF₂ClCFCl₂

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

cf2clcfcl2

1834

CF₃CCl₃

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

cf3ccl3

1835

C₂F₆

hexafluoroethane

c2f6

1836

C₂Cl₆

hexachloroethane

c2cl6

1837

IF₇

Iodine heptafluoride

if7

1838

C₆H₄F₂

metadifluorobenzene

mdfb

1839

C₆H₄F₂

orthodifluorobenzene

odfb

1840

C₆H₄F₂

1,4-difluorobenzene

pdfb

1841

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1842

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1843

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1844

C₆H₅NO

nitrosobenzene

bzno

1845

C₉H₈

Indene

indene

1846

C₉H₈

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

snt

1847

C₉H₁₂

n-propyl benzene

prbz

1848

C₉H₂₀

Nonane

nonane

1849

C(CN)₄

tetracyanomethane

c5n4

1850

C₅H₄N₄

purine

1851

C₈H₇N

Indole

indole

1852

C₃H₃N₃O₃

cyanuric acid

cyanuric

1853

C₆H₅NO₂

Nitrobenzene

c6h5no2

1854

C₆H₅COOH

benzoic acid

benzo

1855

CH₃COC₆H₅

acetophenone

acph

1856

C₃Cl₃N₃

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

c3cl3n3

1857

C₃F₆

hexafluoropropene

c3f6

1858

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1859

C₈H₁₈O

1-Octanol

octanol

1860

C₁₀H₈

Azulene

azu

1861

C₁₀H₈

naphthalene

naph

1862

C₁₀H₁₀

bullvalene

bullv

1863

C₁₀H₁₆

adamantane

1864

C₆N₄

Tetracyanoethylene

tcne

1865

C₆N₄^-

tetracyanoethylene anion

tcne-

1866

C₁₀H₂₂

Decane

decane

1867

C₄F₆

perfluorobutadiene

c4f6

1868

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1869

C₃F₈

perfluoropropane

c3f8

1870

Fe(CO)₅

Iron pentacarbonyl

ipc

1871

Fe(C₅H₅)₂

ferrocene

fecp2

1872

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1873

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1874

C₁₂H₈

Acenaphthylene

acenaph

1875

C₁₂H₈

biphenylene

biph

1876

C₁₂H₁₀

biphenyl

1877

C₁₂H₁₀

Heptalene

heptalene

1878

C₆H₁₂O₆

Inositol

inositol

1879

C₆F₆

hexafluorobenzene

c6f6

1880

S₂F₁₀

disulphur decafluoride

s2f10

1881

C₁₃H₁₀

Fluorene

fluorene

1882

C₁₄H₁₀

Anthracene

anth

1883

C₁₄H₁₀

Phenanthrene

phenanthrene

1884

C₁₄H₁₄

Bibenzyl

bibenzyl

1885

C₁₂H₁₀N₂

azobenzene

1886

C₆H₅COC₆H₅

benzophenone

1887

C₁₆H₁₀

Pyrene

pyrene

1888

C₁₈H₁₂

Tetracene

tetracene

1889

C₁₉H₁₆

Triphenylmethane

tpm

1890

C₂₄H₁₂

Coronene

coronene

1891

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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Big anharmonicity Electrostatics Charges Mulliken CHELP Aim ESP Dipole Dipole Dipole angle Dipole calculation types Quadrupole Polarizability Spin Spin density Entropy and Heat Capacity Entropy Reaction entropy Heat Capacity Reaction Reaction Energy 0K Reaction Energy 298K Isodesmic reactions Transition State Transition state Transition state frequencies Transition state geometries IRC Lookup by property By frequency Comparisons Geometry Bonds, angles Bond, angle, or dihedral DFT grid size on point group DFT grid on bond length Core correlation - bond length Same bond/angle many molecules Isoelectronic diatomics Isoelectronic triatomic angles Average bond lengths Rotation Rotational Constants Products of moments of inertia Point group Vibrations Vibrations 2 calculations Frequency differences One frequency Zero point energy Intensity Intensity for one mode Vibrational intensities Reduced mass comparison Anharmonic Triatomic Scale factors Energy Reaction Reaction Energy 0K Reaction Energy 298K Atomization 0K Atomization 298K Single point vs optimized DFT grid size on energy Semiempirical enthalpy Internal rotation Similar molecules Conformation Sets of isomers Sets of tautomers Isomers Entropy Entropy Heat capacity Entropy of several molecules Integrated heat capacity Reaction entropy Electrostatics Dipole Polarizability Several molecules Quadrupole Ion Compare Ionzation energy Koopman ionization energy Koopman IE for a few molecules Compare Electron affinity Compare Proton affinity Protonation Site Resources Info on Results Calculations Done Method and basis set List molecules One molecule Multiple conformers, states Multiple conformers, states Basis functions used I/O files Input/output files MOL file Z-matrix wfn files Glossary Conversion Forms B to I, I to B Angle formulas Integrated heat Capacity Calculating Enthalpy Links NIST Links NIST webbook bibliographic data CCCBDB Experimental data External links Basis Set Exchange Computational Chemistry List Thermochemistry in Gaussian Minnesota Database Collection Benchmark Energy and Geometry Point Groups Thermochemistry Thermochemistry Molecules with good enthalpy A → B + C Reference states Tutorials Vibrations Why scale vibrations Zero-point energies Entropy Methyl rotor entropy Entropy and conformations Energy Getting enthalpy of formation Vertical vs adiabatic IE Thermo from calculations Electrostatics Dipole parts by point group Quadrupoles Geometry Angle formulas Cost Cost Comparison Timings Comparison Bad Calculations Geometry Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Bad vib. 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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