CCCBDB List of Species with completed calculations

Home
- All data for one species
- Geometry
  - Experimental
  - Calculated
  - Comparisons
  - 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
Calculated
- Energy
  - Optimized
  - Reaction
    - Reaction Energy 0K
    - Reaction Energy 298K
  - Internal Rotation
  - Orbital
  - Nuclear repulsion energy
  - Correlation
    - Full vs Frozen core energies
    - Partial correlation energies
  - Ion
  - Excited State
  - Basis Set Extrapolation
    - BSE energy
    - BSE Bond lengths
- Geometry
  - Calculated geometry
    - AIM bond orders
    - One type of bond
  - Rotation
  - Point group
  - State symmetry
  - <r2>
    - Sorted by r2
  - Z-matrix
  - Bad Calculations
- Vibrations
  - Frequencies
    - Animated vibrations
    - Anharmonic
  - Zero point energy (ZPE)
  - Scale Factors
  - Bad Calculations
- Electrostatics
  - Charges
  - Dipole
  - Quadrupole
  - Polarizability
  - Spin
    - Spin density
- Entropy and Heat Capacity
- Reaction
  - Reaction Energy 0K
  - Reaction Energy 298K
  - Isodesmic reactions
  - Transition State
- Lookup by property
  - By frequency
Comparisons
- Geometry
- Vibrations
- Energy
  - Reaction
  - Single point vs optimized
  - DFT grid size on energy
  - Semiempirical enthalpy
  - Internal rotation
  - Similar molecules
- Entropy
- Electrostatics
- Ion
Resources
- Info on Results
  - Calculations Done
  - Basis functions used
  - I/O files
- Glossary
- Conversion Forms
- Links
  - NIST Links
  - External links
- Thermochemistry
- Tutorials
  - Vibrations
    - Why scale vibrations
    - Zero-point energies
  - Entropy
    - Methyl rotor entropy
    - Entropy and conformations
  - Energy
  - Electrostatics
    - Dipole parts by point group
    - Quadrupoles
  - Geometry
    - Angle formulas
  - Cost
    - Cost Comparison
    - Timings Comparison
- Bad Calculations
  - Geometry
  - Vibrations
  - Low excited states
  - Oddities
    - NaCN Is not linear
FAQ Help
- Units
  - Choose Units
  - Explanations
- Credits
- Just show me
  - Show me a calculated geometry
- Summary
- Using
- List
  - Recent molecules
    - Choose a few
  - Molecules
  - Geometry
  - Vibrations
    - Big anharmonicity
  - Energy
    - Enthalpy at 0 Kelvin
  - Similar molecules
  - Ions, Dipoles, etc.
- Index of CCCBDB
- Feedback
  - Error form
  - Wants

List of which calculations are completed at QCISD(TQ)=FULL /6-31+G**

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	He	Helium atom	¹S	K_h
3	He	Helium atom
4	Li^-	Lithium atom anion	¹S	K_h
5	LiH	Lithium Hydride	¹Σ	C_∞v
6	KH	Potassium hydride	¹Σ	C_∞v
7	BeH	beryllium monohydride	²Σ	C_∞v
8	MgH	magnesium monohydride	²Σ	C_∞v
9	TiH	Titanium monohydride	⁴Φ	C_∞v
10	BeH₂⁺	Beryllium dihydride cation
11	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
12	Al	Aluminum atom	²P	K_h
13	Al^-	Aluminum atom anion	³P	K_h
14	Al⁺	Aluminum atom cation	¹S	K_h
15	Sc	Scandium atom	²D	K_h
16	Sc⁺	Scandium cation	³D	K_h
17	BH	Boron monohydride	¹Σ	C_∞v
18	BH	Boron monohydride	³Π	C_∞v
19	ScH	Scandium monohydride	¹Σ	C_∞v
20	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
21	BH₃⁺	boron trihydride cation	²B₂	C_2v
22	BH₃⁺	boron trihydride cation		C_2v
23	AlH₃	aluminum trihydride	¹A₁^'	D_3h
24	ScH₃	Scandium trihydride	¹A₁^'	D_3h
25	ScH₃	Scandium trihydride	¹A₁	C_3v
26	BH₄	borohydride	²B₂	C_2v
27	C	Carbon atom	³P₀	K_h
28	C^-	Carbon atom anion	²D	K_h
29	Si^-	Silicon atom anion	⁴S	K_h
30	SiH	Silylidyne	²Π	C_∞v
31	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
32	GeH	germylidene	²Π	C_∞v
33	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
34	CH₂	Methylene	³B₁	C_2v
35	CH₂	Methylene	³Σ_G	D_∞h
36	CH₂	Methylene	¹A₁	C_2v
37	CH₂^-	methylene anion	²B₁	C_2v
38	CH₂⁺	methylene cation	²A₁	C_2v
39	CH₂⁺	methylene cation	²Π	D_∞h
40	GeH₂	germylene	¹A₁	C_2v
41	CH₃	Methyl radical	²A₁	D_3h
42	CH₃^-	methyl anion	¹A₁	C_3v
43	CH₃⁺	methyl cation	¹A₁^'	D_3h
44	SiH₃	Silyl radical	²A₁	C_3v
45	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
46	CH₄	Methane	¹A₁	T_d
47	CH₄^-	Methane anion	²A₁	T_d
48	SiH₄	Silane	¹A₁	T_d
49	N	Nitrogen atom	⁴S	K_h
50	P	Phosphorus atom	⁴S	K_h
51	V	Vanadium atom	⁴F	K_h
52	V⁺	Vanadium atom cation	⁵D	K_h
53	As	Arsenic atomic	⁴S	K_h
54	As^-	Arsenic anion	³P	K_h
55	As⁺	Arsenic cation	³P	K_h
56	PH	phosphorus monohydride	³Σ^-	C_∞v
57	NH₂	Amino radical	²B₁	C_2v
58	NH₂⁺	Amino cation	¹A₁	C_2v
59	NH₃	Ammonia	¹A₁	C_3v
60	NH₃^-	Ammonia anion	²A₁	C_3v
61	NH₃⁺	ammonia cation	²A₂^"	D_3h
62	PH₃	Phosphine	¹A₁	C_3v
63	PH₃⁺	Phosphine cation	²A₁	C_3v
64	NH₄⁺	ammonium cation	¹A₁	T_d
65	PH₄	Phosphoranyl radical
66	PH₄⁺	phosphonium cation
67	S	Sulfur atom	³P	K_h
68	S^-	Sulfur atom anion	²P	K_h
69	S⁺	Sulfur atom cation	⁴S	K_h
70	OH	Hydroxyl radical	²Π	C_∞v
71	OH^-	hydroxide anion	¹Σ	C_∞v
72	OH⁺	hydoxyl cation	³Σ	C_∞v
73	HS	Mercapto radical	²Π	C_∞v
74	HS^-	mercapto anion	¹Σ	C_∞v
75	HS⁺	sulfur monohydride cation	³Σ	C_∞v
76	HSe⁺	selenium monohydride cation	³Σ	C_∞v
77	H₂O	Water	¹A₁	C_2v
78	H₂O^-	water anion	²A₁	C_2v
79	H₂O^-	water anion	²A^'	C_s
80	H₂O⁺	water cation	²B₁	C_2v
81	HDO	Water-d1	¹A₁	C_2v
82	H₂S	Hydrogen sulfide	¹A₁	C_2v
83	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
84	H₃O⁺	hydronium cation	¹A₁	C_3v
85	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
86	F^-	Fluorine atom anion	¹S	K_h
87	F⁺	Fluorine atom cation	³S	K_h
88	F⁺	Fluorine atom cation	¹D	K_h
89	Cl	Chlorine atom	²P	K_h
90	Cl^-	Chlorine atom anion	¹S	K_h
91	Cl⁺	Chlorine atom cation	³P	K_h
92	Cl⁺	Chlorine atom cation	¹D	K_h
93	HF	Hydrogen fluoride	¹Σ	C_∞v
94	HCl⁺	hydrogen chloride cation	²Π	C_∞v
95	HBr	hydrogen bromide	¹Σ	C_∞v
96	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
97	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
98	Ne	Neon atom	¹S	K_h
99	Ne	Neon atom
100	Kr	Krypton atom	¹S	K_h
101	Kr⁺	Krypton cation	²P	K_h
102	ArH⁺	Argon hydride cation	¹Σ	C_∞v
103	KrH⁺	Protonated Krypton	¹Σ	C_∞v
104	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
105	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
106	NaK⁺	Sodium Potassium diatomic cation		1
107	BeMg	Beryllium Magnesium	¹Σ	C_∞v
108	LiB	Lithium boride	³Π	C_∞v
109	NaAl	Sodium aluminum	¹Σ	C_∞v
110	BeB	Beryllium monoboride	²Π	C_∞v
111	B₂	Boron diatomic	¹Σ_g	D_∞h
112	B₂	Boron diatomic	⁵Σ_u	D_∞h
113	B₂⁺	Boron diatomic cation	²Π	D_∞h
114	BAl	Boron Aluminum	³Σ	C_∞v
115	BGa	Boron Gallium	³Σ	C_∞v
116	AlGa	Aluminum Gallium	³Σ	C_∞v
117	AlGa	Aluminum Gallium	¹Σ	C_∞v
118	Ga₂	Gallium diatomic	³P_iu
119	HBBH	Diborane(2)	³Σ_G	D_∞h
120	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
121	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
122	B₂H₆	Diborane	¹A_g	D_2h
123	B₂H₆⁺	Diborane cation
124	Ga₂H₆	digallane	¹A_G	D_2h
125	BeC	Beryllium Carbide	³Σ^-	C_∞v
126	BeC	Beryllium Carbide
127	CaC	Calcium monocarbide
128	AlC	Aluminum carbide	⁴Σ	C_∞v
129	BSi	Boron silicide	²Σ	C_∞v
130	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
131	C₂	Carbon diatomic	³Σ_g^-
132	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
133	SiGe	Silicon Germanium
134	C₂H	Ethynyl radical	²Σ	C_∞v
135	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
136	H₂CC^-	vinylidene anion
137	CH₂BH	methyleneborane	¹A₁	C_2v
138	C₂H₃	vinyl	²A^'	C_s
139	C₂H₃^-	vinyl anion	¹A^'	C_s
140	C₂H₄^-	Ethylene anion	²A_g	C_2h
141	C₂H₄⁺	Ethylene cation	²B₃	D₂
142	CH₃BH₂	methylborane	¹A^'	C_s
143	C₂H₅	Ethyl radical	²A^'	C_s
144	C₂H₆	Ethane	¹A_1g	D_3d
145	Si₂H₆	disilane	¹E_u	D_3d
146	LiP	Lithium monophosphide
147	LiP	Lithium monophosphide
148	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
149	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
150	MgN	Magnesium Nitride
151	BP	Boron monophosphide	³Π	C_∞v
152	BP	Boron monophosphide	¹Σ	C_∞v
153	GaP	Gallium monophosphide	³Σ	C_∞v
154	GaP	Gallium monophosphide	¹Σ	C_∞v
155	GaAs	Gallium arsenide	³Π
156	GaAs	Gallium arsenide	¹Σ
157	BN	boron nitride	³Π	C_∞v
158	BN	boron nitride	¹Σ	C_∞v
159	CN	Cyano radical	²Σ	C_∞v
160	CN^-	cyanide anion	¹Σ	C_∞v
161	SiP	Silicon monophosphide	²Π	C_∞v
162	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
163	HCN	Hydrogen cyanide	¹Σ	C_∞v
164	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
165	HNC⁺	hydrogen isocyanide cation
166	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
167	N₂H₂	(E)-diazene	¹A_g	C_2h
168	N₂H₂	(Z)-Diazene	¹A₁	C_2v
169	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
170	CH₂NH⁺	Methanimine cation
171	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
172	N₂H₄⁺	hydrazine cation	²A_G	C_2h
173	CH₃NH₂	methyl amine	¹A^'	C_s
174	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
175	BH₃NH₃	borane ammonia	¹A₁	C_3v
176	N₂H₇⁺	ammonia ammonium dimer
177	LiO	lithium oxide	²Σ	C_∞v
178	LiS	Lithium monosulfide	²Π	C_∞v
179	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
180	NaO	sodium monoxide	²Σ	C_∞v
181	KO	Potassium monoxide	²Σ	C_∞v
182	KO⁺	Potassium monoxide cation	³Σ	C_∞v
183	NaS	Sodium sulfide	²Π	C_∞v
184	CaS	Calcium sulfide	¹Σ	C_∞v
185	BO	boron monoxide	²Σ	C_∞v
186	ScO	Scandium monoxide	²Σ	C_∞v
187	CO	Carbon monoxide	¹Σ	C_∞v
188	CO^-	carbon monoxide anion	²Π	C_∞v
189	CO⁺	carbon monoxide cation	²Σ	C_∞v
190	TiO	Titanium monoxide	³Δ	C_∞v
191	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
192	SiSe	Silicon Monoselenide
193	SiSe⁺	Silicon Monoselenide cation
194	NO	Nitric oxide	²Π	C_∞v
195	NO^-	nitric oxide anion	³Σ	C_∞v
196	NO⁺	nitric oxide cation	¹Σ	C_∞v
197	NS	Mononitrogen monosulfide	²Π	C_∞v
198	PO	Phosphorus monoxide	²Π	C_∞v
199	PS	phosphorus sulfide	²Σ	C_∞v
200	VO	Vanadium monoxide	⁴Σ^-
201	NSe	Nitrogen monoselenide	²Π	C_∞v
202	AsS	Arsenic monosulfide	²Π	C_∞v
203	PSe	Phosphorus monoselenide	²Π	C_∞v
204	O₂^-	oxygen diatomic anion	²Π	D_∞h
205	SO⁺	sulfur monoxide cation	²Π	C_∞v
206	S₂	Sulfur diatomic	³Σ_g	D_∞h
207	LiOH	lithium hydroxide	¹Σ	C_∞v
208	BeOH	beryllium monohydroxide	²Σ	C_∞v
209	HBO	Boron hydride oxide	¹Σ	C_∞v
210	COH	Hydroxymethylidyne
211	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
212	HCO^-	formyl anion	¹A^'	C_s
213	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
214	NOH	Hydroxyimidogen	³A^"	C_s
215	NOH⁺	O-protonated nitric oxide	²A^'	C_s
216	HO₂	Hydroperoxy radical	²A^"	C_s
217	HO₂⁺	Hydroperoxy cation	³A^"	C_s
218	HSO⁺	Sulfur Monoxide, S-protonated
219	H₂CO^-	formaldehyde anion	²A^'	C_s
220	H₂CO⁺	formaldehyde cation	²B₂	C_2v
221	H₂CS	Thioformaldehyde	¹A₁	C_2v
222	H₂NO	nitroxide	²B₁	C_2v
223	H₂NO	nitroxide	²A^'	C_s
224	H₂O₂	Hydrogen peroxide	¹A	C₂
225	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
226	H₂S₂	Disulfane	¹A	C₂
227	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
228	CH₂OH	Hydroxymethyl radical	²A	C₁
229	CH₃O⁺	Methoxy cation	³A₁	C_3v
230	NH₂OH	hydroxylamine	¹A^'	C_s
231	NH₂OH⁺	Hydroxylamine cation
232	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
233	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
234	CH₃SH	Methanethiol	¹A^'	C_s
235	CH₃SH⁺	Methanethiol cation	²A^"	C_s
236	H₂OH₂O	water dimer	¹A^'	C_s
237	LiCl	lithium chloride	¹Σ	C_∞v
238	NaF	sodium fluoride	¹Σ	C_∞v
239	NaCl	Sodium Chloride	¹Σ	C_∞v
240	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
241	ZnF	Zinc monofluoride	²Σ	C_∞v
242	ScF	Scandium monofluoride	¹Σ	C_∞v
243	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
244	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
245	CF	Fluoromethylidyne	²Π	C_∞v
246	SiF	silicon monofluoride	²Π	C_∞v
247	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
248	NCl	nitrogen monochloride	³Σ	C_∞v
249	AsF	Arsenic monofluoride	³Σ	C_∞v
250	AsCl	Arsenic monochloride	³Σ	C_∞v
251	FO	Oxygen monofluoride	²Π	C_∞v
252	SF	Monosulfur monofluoride	²Π	C_∞v
253	SeF	Selenium monofluoride	²Π	C_∞v
254	SeCl	Selenium monochloride	²Π	C_∞v
255	F₂	Fluorine diatomic	¹Σ_g	D_∞h
256	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
257	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
258	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
259	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
260	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
261	HCF	Fluoromethylene	¹A^'	C_s
262	HCF	Fluoromethylene	³A^"	C_s
263	CH₂F	fluoromethyl radical	²A	C_s
264	CH₃Cl	Methyl chloride	¹A₁	C_3v
265	LiNe⁺	Lithium Neon cation
266	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
267	Ar₂	Argon diatomic	¹S_g	D_∞h
268	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
269	Li₃	Lithium trimer	²B₂	C_2v
270	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
271	C₃	carbon trimer	¹Σ_g	D_∞h
272	C₃	carbon trimer	¹A₁	C_2v
273	C₃H₃	cyclopropenyl radical	²A^'	C_s
274	C₃H₅	Allyl radical	²A^"	C_s
275	LiCN	lithium cyanide	¹Σ	C*V LiCN
276	LiCN	lithium cyanide	¹A^'	C_s
277	LiCN	lithium cyanide	¹Σ	C*V LiNC
278	NaCN	Sodium Cyanide	¹A	C_s
279	KCN	Potassium cyanide	¹Σ	C_∞v
280	KCN	Potassium cyanide	¹Σ	C_∞v
281	KCN	Potassium cyanide	¹A^'	C_s
282	N₃	azide radical	²Π_g	D_∞h
283	N₃⁺	azide cation	³Σ_g	D_∞h
284	N₃⁺	azide cation	³Σ	C_∞v
285	HCCN	cyanomethylene	³A^"	C_s
286	NH₂CN	cyanamide	¹A₁	C_2v
287	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
288	CH₂CHNH	vinylazine	²A^"	CS cis
289	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
290	CCO	Dicarbon monoxide	³Σ	C_∞v
291	CCO	Dicarbon monoxide	¹Π	C_∞v
292	NCO	isocyanato radical	²Π	C_∞v
293	N₂O	Nitrous oxide	¹Σ	C_∞v
294	N₂O^-	Nitrous oxide anion	²A^'	C_s
295	OCS	Carbonyl sulfide	¹Σ	C_∞v
296	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
297	NO₂	Nitrogen dioxide	²A₁	C_2v
298	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
299	O₃	Ozone	¹A₁	C_s
300	S₃	Sulfur trimer	¹A₁	C_2v
301	S₃⁺	Sulfur trimer cation	²B₂	C_2v
302	HCNO	fulminic acid	¹Σ	C_∞v
303	HCNO	fulminic acid	¹A^'	C_s
304	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
305	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
306	O₃H⁺	protonated ozone	¹A^'	C_s
307	Be(OH)₂	Beryllium hydroxide
308	H₂COO	Dioxymethyl radical	²A^'	C_s
309	HCOOH	Formic acid	¹A^'	C_s
310	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
311	BH₃CO	Borane carbonyl	¹A₁	C_3v
312	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
313	CH₃NO	nitrosomethane	¹A^'	C_s
314	CuF₂	Copper difluoride	²Π_g	D_∞h
315	CNF	iso cyanogen fluoride	¹Σ	C_∞v
316	FCO	Carbonyl fluoride	²A^'	C_s
317	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
318	ClCO	carbonyl monochloride	²A^'	C_s
319	FSN	Thiazyl fluoride	¹A^'	C_s
320	CF₂	Difluoromethylene	¹A₁	D_∞h
321	CFCl	chlorofluoromethylene	¹A^'	C_s
322	OClO^-	Chlorine dioxide anion	¹A^'	C_s
323	HFCO⁺	formyl fluoride cation	²A^'	C_s
324	Li₃N	trilithium nitride	¹A^'	D_3h
325	C₄H₈	cyclobutane	¹A₁	D_2d
326	C₃O	Tricarbon monoxide	¹Σ	C_∞v
327	ONNO	NO dimer	¹A_g	trans C2H
328	NH₂COOH	Carbamic acid	¹A^'	C_s
329	NH₂COOH	Carbamic acid	¹A	C₁
330	NH₂CONH₂	Urea	¹A₁	C_2v
331	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
332	C₃H₆O	Oxetane	¹A₁	C_2v
333	C₃H₆O	Oxetane	¹A^'	C_s
334	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
335	BrONO₂	Bromine nitrate	¹A^'	C_s
336	TiF₄	Titanium tetrafluoride	¹A₁	T_d
337	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
338	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

Helium atom

¹S

K_h

Helium atom

Li^-

Lithium atom anion

¹S

K_h

LiH

Lithium Hydride

¹Σ

C_∞v

Potassium hydride

¹Σ

C_∞v

BeH

beryllium monohydride

²Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

TiH

Titanium monohydride

⁴Φ

C_∞v

BeH₂⁺

Beryllium dihydride cation

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Aluminum atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Al⁺

Aluminum atom cation

¹S

K_h

Scandium atom

²D

K_h

Sc⁺

Scandium cation

³D

K_h

Boron monohydride

¹Σ

C_∞v

Boron monohydride

³Π

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

ScH₃

Scandium trihydride

¹A₁^'

D_3h

ScH₃

Scandium trihydride

¹A₁

C_3v

BH₄

borohydride

²B₂

C_2v

Carbon atom

³P₀

K_h

C^-

Carbon atom anion

²D

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

SiH₄

Silane

¹A₁

T_d

Nitrogen atom

⁴S

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

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

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

H₃O⁺

hydronium cation

¹A₁

C_3v

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

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

Cl⁺

Chlorine atom cation

³P

K_h

Cl⁺

Chlorine atom cation

¹D

K_h

Hydrogen fluoride

¹Σ

C_∞v

HCl⁺

hydrogen chloride cation

²Π

C_∞v

HBr

hydrogen bromide

¹Σ

C_∞v

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

Neon atom

¹S

K_h

Neon atom

100

Krypton atom

¹S

K_h

101

Kr⁺

Krypton cation

²P

K_h

102

ArH⁺

Argon hydride cation

¹Σ

C_∞v

103

KrH⁺

Protonated Krypton

¹Σ

C_∞v

104

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

105

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

106

NaK⁺

Sodium Potassium diatomic cation

107

BeMg

Beryllium Magnesium

¹Σ

C_∞v

108

LiB

Lithium boride

³Π

C_∞v

109

NaAl

Sodium aluminum

¹Σ

C_∞v

110

BeB

Beryllium monoboride

²Π

C_∞v

111

B₂

Boron diatomic

¹Σ_g

D_∞h

112

B₂

Boron diatomic

⁵Σ_u

D_∞h

113

B₂⁺

Boron diatomic cation

²Π

D_∞h

114

BAl

Boron Aluminum

³Σ

C_∞v

115

BGa

Boron Gallium

³Σ

C_∞v

116

AlGa

Aluminum Gallium

³Σ

C_∞v

117

AlGa

Aluminum Gallium

¹Σ

C_∞v

118

Ga₂

Gallium diatomic

³P_iu

119

HBBH

Diborane(2)

³Σ_G

D_∞h

120

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

121

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

122

B₂H₆

Diborane

¹A_g

D_2h

123

B₂H₆⁺

Diborane cation

124

Ga₂H₆

digallane

¹A_G

D_2h

125

BeC

Beryllium Carbide

³Σ^-

C_∞v

126

BeC

Beryllium Carbide

127

CaC

Calcium monocarbide

128

AlC

Aluminum carbide

⁴Σ

C_∞v

129

BSi

Boron silicide

²Σ

C_∞v

130

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

131

C₂

Carbon diatomic

³Σ_g^-

132

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

133

SiGe

Silicon Germanium

134

C₂H

Ethynyl radical

²Σ

C_∞v

135

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

136

H₂CC^-

vinylidene anion

137

CH₂BH

methyleneborane

¹A₁

C_2v

138

C₂H₃

vinyl

²A^'

C_s

139

C₂H₃^-

vinyl anion

¹A^'

C_s

140

C₂H₄^-

Ethylene anion

²A_g

C_2h

141

C₂H₄⁺

Ethylene cation

²B₃

D₂

142

CH₃BH₂

methylborane

¹A^'

C_s

143

C₂H₅

Ethyl radical

²A^'

C_s

144

C₂H₆

Ethane

¹A_1g

D_3d

145

Si₂H₆

disilane

¹E_u

D_3d

146

LiP

Lithium monophosphide

147

LiP

Lithium monophosphide

148

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

149

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

150

MgN

Magnesium Nitride

151

Boron monophosphide

³Π

C_∞v

152

Boron monophosphide

¹Σ

C_∞v

153

GaP

Gallium monophosphide

³Σ

C_∞v

154

GaP

Gallium monophosphide

¹Σ

C_∞v

155

GaAs

Gallium arsenide

³Π

156

GaAs

Gallium arsenide

¹Σ

157

boron nitride

³Π

C_∞v

158

boron nitride

¹Σ

C_∞v

159

Cyano radical

²Σ

C_∞v

160

CN^-

cyanide anion

¹Σ

C_∞v

161

SiP

Silicon monophosphide

²Π

C_∞v

162

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

163

HCN

Hydrogen cyanide

¹Σ

C_∞v

164

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

165

HNC⁺

hydrogen isocyanide cation

166

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

167

N₂H₂

(E)-diazene

¹A_g

C_2h

168

N₂H₂

(Z)-Diazene

¹A₁

C_2v

169

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

170

CH₂NH⁺

Methanimine cation

171

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

172

N₂H₄⁺

hydrazine cation

²A_G

C_2h

173

CH₃NH₂

methyl amine

¹A^'

C_s

174

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

175

BH₃NH₃

borane ammonia

¹A₁

C_3v

176

N₂H₇⁺

ammonia ammonium dimer

177

LiO

lithium oxide

²Σ

C_∞v

178

LiS

Lithium monosulfide

²Π

C_∞v

179

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

180

NaO

sodium monoxide

²Σ

C_∞v

181

Potassium monoxide

²Σ

C_∞v

182

KO⁺

Potassium monoxide cation

³Σ

C_∞v

183

NaS

Sodium sulfide

²Π

C_∞v

184

CaS

Calcium sulfide

¹Σ

C_∞v

185

boron monoxide

²Σ

C_∞v

186

ScO

Scandium monoxide

²Σ

C_∞v

187

Carbon monoxide

¹Σ

C_∞v

188

CO^-

carbon monoxide anion

²Π

C_∞v

189

CO⁺

carbon monoxide cation

²Σ

C_∞v

190

TiO

Titanium monoxide

³Δ

C_∞v

191

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

192

SiSe

Silicon Monoselenide

193

SiSe⁺

Silicon Monoselenide cation

194

Nitric oxide

²Π

C_∞v

195

NO^-

nitric oxide anion

³Σ

C_∞v

196

NO⁺

nitric oxide cation

¹Σ

C_∞v

197

Mononitrogen monosulfide

²Π

C_∞v

198

Phosphorus monoxide

²Π

C_∞v

199

phosphorus sulfide

²Σ

C_∞v

200

Vanadium monoxide

⁴Σ^-

201

NSe

Nitrogen monoselenide

²Π

C_∞v

202

AsS

Arsenic monosulfide

²Π

C_∞v

203

PSe

Phosphorus monoselenide

²Π

C_∞v

204

O₂^-

oxygen diatomic anion

²Π

D_∞h

205

SO⁺

sulfur monoxide cation

²Π

C_∞v

206

S₂

Sulfur diatomic

³Σ_g

D_∞h

207

LiOH

lithium hydroxide

¹Σ

C_∞v

208

BeOH

beryllium monohydroxide

²Σ

C_∞v

209

HBO

Boron hydride oxide

¹Σ

C_∞v

210

COH

Hydroxymethylidyne

211

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

212

HCO^-

formyl anion

¹A^'

C_s

213

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

214

NOH

Hydroxyimidogen

³A^"

C_s

215

NOH⁺

O-protonated nitric oxide

²A^'

C_s

216

HO₂

Hydroperoxy radical

²A^"

C_s

217

HO₂⁺

Hydroperoxy cation

³A^"

C_s

218

HSO⁺

Sulfur Monoxide, S-protonated

219

H₂CO^-

formaldehyde anion

²A^'

C_s

220

H₂CO⁺

formaldehyde cation

²B₂

C_2v

221

H₂CS

Thioformaldehyde

¹A₁

C_2v

222

H₂NO

nitroxide

²B₁

C_2v

223

H₂NO

nitroxide

²A^'

C_s

224

H₂O₂

Hydrogen peroxide

¹A

C₂

225

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

226

H₂S₂

Disulfane

¹A

C₂

227

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

228

CH₂OH

Hydroxymethyl radical

²A

C₁

229

CH₃O⁺

Methoxy cation

³A₁

C_3v

230

NH₂OH

hydroxylamine

¹A^'

C_s

231

NH₂OH⁺

Hydroxylamine cation

232

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

233

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

234

CH₃SH

Methanethiol

¹A^'

C_s

235

CH₃SH⁺

Methanethiol cation

²A^"

C_s

236

H₂OH₂O

water dimer

¹A^'

C_s

237

LiCl

lithium chloride

¹Σ

C_∞v

238

NaF

sodium fluoride

¹Σ

C_∞v

239

NaCl

Sodium Chloride

¹Σ

C_∞v

240

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

241

ZnF

Zinc monofluoride

²Σ

C_∞v

242

ScF

Scandium monofluoride

¹Σ

C_∞v

243

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

244

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

245

Fluoromethylidyne

²Π

C_∞v

246

SiF

silicon monofluoride

²Π

C_∞v

247

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

248

NCl

nitrogen monochloride

³Σ

C_∞v

249

AsF

Arsenic monofluoride

³Σ

C_∞v

250

AsCl

Arsenic monochloride

³Σ

C_∞v

251

Oxygen monofluoride

²Π

C_∞v

252

Monosulfur monofluoride

²Π

C_∞v

253

SeF

Selenium monofluoride

²Π

C_∞v

254

SeCl

Selenium monochloride

²Π

C_∞v

255

F₂

Fluorine diatomic

¹Σ_g

D_∞h

256

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

257

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

258

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

259

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

260

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

261

HCF

Fluoromethylene

¹A^'

C_s

262

HCF

Fluoromethylene

³A^"

C_s

263

CH₂F

fluoromethyl radical

²A

C_s

264

CH₃Cl

Methyl chloride

¹A₁

C_3v

265

LiNe⁺

Lithium Neon cation

266

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

267

Ar₂

Argon diatomic

¹S_g

D_∞h

268

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

269

Li₃

Lithium trimer

²B₂

C_2v

270

Li₃⁺

Lithium trimer cation

¹A₁^'

D_3h

271

C₃

carbon trimer

¹Σ_g

D_∞h

272

C₃

carbon trimer

¹A₁

C_2v

273

C₃H₃

cyclopropenyl radical

²A^'

C_s

274

C₃H₅

Allyl radical

²A^"

C_s

275

LiCN

lithium cyanide

¹Σ

C*V LiCN

276

LiCN

lithium cyanide

¹A^'

C_s

277

LiCN

lithium cyanide

¹Σ

C*V LiNC

278

NaCN

Sodium Cyanide

¹A

C_s

279

KCN

Potassium cyanide

¹Σ

C_∞v

280

KCN

Potassium cyanide

¹Σ

C_∞v

281

KCN

Potassium cyanide

¹A^'

C_s

282

N₃

azide radical

²Π_g

D_∞h

283

N₃⁺

azide cation

³Σ_g

D_∞h

284

N₃⁺

azide cation

³Σ

C_∞v

285

HCCN

cyanomethylene

³A^"

C_s

286

NH₂CN

cyanamide

¹A₁

C_2v

287

HNCNH₂⁺

diiminomethane, protonated

¹A^'

C_s

288

CH₂CHNH

vinylazine

²A^"

CS cis

289

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

290

CCO

Dicarbon monoxide

³Σ

C_∞v

291

CCO

Dicarbon monoxide

¹Π

C_∞v

292

NCO

isocyanato radical

²Π

C_∞v

293

N₂O

Nitrous oxide

¹Σ

C_∞v

294

N₂O^-

Nitrous oxide anion

²A^'

C_s

295

OCS

Carbonyl sulfide

¹Σ

C_∞v

296

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

297

NO₂

Nitrogen dioxide

²A₁

C_2v

298

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

299

O₃

Ozone

¹A₁

C_s

300

S₃

Sulfur trimer

¹A₁

C_2v

301

S₃⁺

Sulfur trimer cation

²B₂

C_2v

302

HCNO

fulminic acid

¹Σ

C_∞v

303

HCNO

fulminic acid

¹A^'

C_s

304

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

305

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

306

O₃H⁺

protonated ozone

¹A^'

C_s

307

Be(OH)₂

Beryllium hydroxide

308

H₂COO

Dioxymethyl radical

²A^'

C_s

309

HCOOH

Formic acid

¹A^'

C_s

310

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

311

BH₃CO

Borane carbonyl

¹A₁

C_3v

312

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

313

CH₃NO

nitrosomethane

¹A^'

C_s

314

CuF₂

Copper difluoride

²Π_g

D_∞h

315

CNF

iso cyanogen fluoride

¹Σ

C_∞v

316

FCO

Carbonyl fluoride

²A^'

C_s

317

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

318

ClCO

carbonyl monochloride

²A^'

C_s

319

FSN

Thiazyl fluoride

¹A^'

C_s

320

CF₂

Difluoromethylene

¹A₁

D_∞h

321

CFCl

chlorofluoromethylene

¹A^'

C_s

322

OClO^-

Chlorine dioxide anion

¹A^'

C_s

323

HFCO⁺

formyl fluoride cation

²A^'

C_s

324

Li₃N

trilithium nitride

¹A^'

D_3h

325

C₄H₈

cyclobutane

¹A₁

D_2d

326

C₃O

Tricarbon monoxide

¹Σ

C_∞v

327

ONNO

NO dimer

¹A_g

trans C2H

328

NH₂COOH

Carbamic acid

¹A^'

C_s

329

NH₂COOH

Carbamic acid

¹A

C₁

330

NH₂CONH₂

Urea

¹A₁

C_2v

331

NH₂COOH₂⁺

Carbamic acid, O-protonated

¹A

C₁

332

C₃H₆O

Oxetane

¹A₁

C_2v

333

C₃H₆O

Oxetane

¹A^'

C_s

334

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

335

BrONO₂

Bromine nitrate

¹A^'

C_s

336

TiF₄

Titanium tetrafluoride

¹A₁

T_d

337

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

¹A^'

C_s

338

PF₆^-

Hexafluorophosphate ion

¹A_1G

O_h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H^-	Hydrogen atom anion	h-
5	H⁺	Hydrogen atom cation	h+
6	D₂	Deuterium diatomic	d2
7	H₂	Hydrogen diatomic	h2
8	H₂^-	hydrogen diatomic anion	h2-
9	H₂⁺	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H₃⁺	hydrogen trimer cation	h3+
12	He^-	Helium atom anion	he-
13	He⁺	Helium atom cation	he+
14	HeH	Helium hydride	heh
15	HeH⁺	Helium hydride cation	heh+
16	He₂⁺	helium diatomic cation	he2+
17	Li	Lithium atom	li
18	Li⁺	Lithium atom cation	li+
19	Na	Sodium atom	na
20	Na^-	Sodium atom anion	na-
21	Na⁺	Sodium atom cation	na+
22	K	Potassium atom	k
23	K^-	Potassium atom anion	k-
24	K⁺	Potassium atom cation	k+
25	Cu	Copper atom	cu
26	Cu^-	Copper atom anion	cu-
27	Cu⁺	Copper atom cation	cu+
28	LiH^-	lithium hydride anion	lih-
29	LiH⁺	lithium hydride cation	lih+
30	NaH	sodium hydride	nah
31	NaH^-	sodium hydride anion	nah-
32	NaH⁺	sodium hydride cation	nah+
33	KH⁺	Potassium hydrogen cation	kh+
34	CuH	Copper monohydride	cuh
35	Be	Beryllium atom	be
36	Be^-	Beryllium atom anion	be-
37	Be⁺	Beryllium atom cation	be+
38	Mg	Magnesium atom	mg
39	Mg^-	Magnesium atom anion	mg-
40	Mg⁺	Magnesium atom cation	mg+
41	Ca	Calcium atom	ca
42	Ca^-	Calcium atom anion	ca-
43	Ca⁺	Calcium atom cation	ca+
44	Zn	Zinc atom	zn
45	Zn^-	Zinc atom anion	zn-
46	Zn⁺	Zinc atom cation	zn+
47	BeH^-	berylium monohydride anion	beh-
48	BeH⁺	beryllium monohydride cation	beh+
49	MgH^-	magnesium monohydride anion	mgh-
50	MgH⁺	magnesium monohydride cation	mgh+
51	CaH	Calcium monohydride	cah
52	CaH⁺	Calcium monohydride cation	cah+
53	ZnH	Zinc monohydride	znh
54	ZnH⁺	Zinc, protonated	znh+
55	BeH₂	beryllium dihydride	beh2
56	CaH₂	Calcium Hydride	cah2
57	ZnH₂	Zinc hydride	znh2
58	B	Boron atom	b
59	B^-	Boron atom anion	b-
60	B⁺	Boron atom cation	b+
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 anion	alh3-
80	AlH₃⁺	aluminum trihydride cation	alh3+
81	GaH₃	Gallium trihydride	gah3
82	BH₄^-	borohydride anion	bh4-
83	AlH₄^-	Aluminum tetrahydride anion	alh4-
84	C^-	Carbon atom anion	c-
85	C⁺	Carbon atom cation	c+
86	Si	Silicon atom	si
87	Si⁺	Silicon atom cation	si+
88	Ti	Titanium atom	ti
89	Ti^-	Titanium atom anion	ti-
90	Ti⁺	Titanium atom cation	ti+
91	Ge	Germanium atom	ge
92	Ge^-	Germanium anion	ge-
93	Ge⁺	Germanium cation	ge+
94	Sn	Tin atom	sn
95	Sn⁺	Tin cation	sn+
96	CH	Methylidyne	ch
97	CH^-	methylidyne anion	ch-
98	CH⁺	Methylidyne cation	ch+
99	SiH^-	silicon monohydride anion	sih-
100	SiH₂	silicon dihydride	sih2
101	SiH₂^-	silicon dihydride anion	sih2-
102	SiH₂⁺	silicon dihydride cation	sih2+
103	GeH₂^-	germylene anion	geh2-
104	SiH₃^-	Silyl anion	sih3-
105	GeH₃	Germyl radical	geh3
106	GeH₃⁺	germyl cation	geh3+
107	CD₄	methane-d4	cd4
108	CH₂D₂	methane-d2	ch2d2
109	CH₃D	methane-d	ch3d
110	CH₄⁺	Methane cation	ch4+
111	CHD₃	methane-d3	chd3
112	SiH₂D₂	silane-d2	sih2d2
113	SiH₄⁺	Silane cation	sih4+
114	GeH₄	Germane	geh4
115	SnH₄	Stannane	snh4
116	SiH₅⁺	Silane, protonated	sih5+
117	N^-	Nitrogen atom anion	n-
118	N⁺	Nitrogen atom cation	n+
119	P^-	Phosphorus atom anion	p-
120	P⁺	Phosphorus atom cation	p+
121	Sb	Antimony atom	sb
122	NH	Imidogen	nh
123	NH^-	Imidogen anion	nh-
124	NH⁺	imidogen cation	nh+
125	PH^-	phosphorus monohydride anion	ph-
126	PH⁺	phosphorus monohydride cation	ph+
127	AsH	Arsenic monohydride	ash
128	AsH⁺	Arsenic monohydride cation	ash+
129	SbH	Antimony monohydride	sbh
130	ND₂	Amidogen-d2	nd2
131	NH₂^-	amino anion	nh2-
132	NH₂⁺	Amino cation	nh2+
133	PH₂	Phosphino radical	ph2
134	PH₂^-	Phosphino anion	ph2-
135	PH₂⁺	Phosphino cation	ph2+
136	AsH₂	Arsenic dihydride	ash2
137	AsH₂⁺	Arsenic dihydride cation	ash2+
138	ND₃	Ammonia-d3	nd3
139	AsH₃	Arsine	ash3
140	AsH₃⁺	Arsine cation	ash3+
141	SbH₃	Stibine	sbh3
142	AsH₄⁺	Arsonium	ash4+
143	NH₄	Ammonium radical	nh4
144	O	Oxygen atom	o
145	O^-	Oxygen atom anion	o-
146	O⁺	Oxygen atom cation	o+
147	Cr	Chromium atom	cr
148	Se	Selenium atom	se
149	Se^-	Selenium atom anion	se-
150	Se⁺	Selenium atom cation	se+
151	Te	Tellurium atom	te
152	Te⁺	Tellurium atom cation	te+
153	DO	Hydroxyl-d	od
154	DS	Mercapto-d	ds
155	HSe	Selenium monohydride	hse
156	HSe^-	selenium monohydride anion	hse-
157	TeH	Telluryl radical	teh
158	D₂O	Deuterium oxide	d2o
159	D₂S	Hydrogen sulfide-d2	d2s
160	H₂S^-	Hydrogen sulfide anion	h2s-
161	H₂Se	Hydrogen selenide	h2se
162	H₂Se⁺	Hydrogen selenide cation	h2se+
163	H₂Te	Hydrogen Telluride	h2te
164	H₃S⁺	Sulfonium cation	h3s+
165	F	Fluorine atom	f
166	Mn	Manganese atom	mn
167	Br	Bromine atom	br
168	Br^-	Bromine atom anion	br-
169	Br⁺	Bromine atom cation	br+
170	I	Iodine atom	iodine
171	I^-	Iodine atom anion	iodine-
172	I⁺	Iodine atom cation	iodine+
173	DF	Hydrofluoric acid-d	df
174	HF^-	hydrogen fluoride anion	hf-
175	HF⁺	hydrogen fluoride cation	hf+
176	DCl	Hydrochloric acid-d	dcl
177	HCl	Hydrogen chloride	hcl
178	HCl^-	hydrogen chloride anion	hcl-
179	HBr^-	hydrogen bromide anion	hbr-
180	HBr⁺	hydrogen bromide cation	hbr+
181	HI	Hydrogen iodide	hi
182	HI⁺	Hydrogen iodide cation	hi+
183	H₂F⁺	dihydrogen fluoride cation	h2f+
184	H₂I⁺	Iodonium	h2i+
185	Ne^-	Neon atom anion	ne-
186	Ne⁺	Neon atom cation	ne+
187	Ar	Argon atom	ar
188	Ar^-	Argon atom anion	ar-
189	Ar⁺	Argon atom cation	ar+
190	Fe	Iron atom	fe
191	Xe	Xenon atom	xe
192	HeLi⁺	Helium Lithium cation	heli+
193	NeH	neon hydrogen	neh
194	NeH⁺	neon hydrogen cation	neh+
195	XeH⁺	Xenon, protonated	xeh+
196	Co	Cobalt atom	cobalt
197	Ni	Nickel atom	ni
198	Li₂	Lithium diatomic	li2
199	Li₂^-	lithium diatomic anion	li2-
200	Li₂⁺	lithium diatomic cation	li2+
201	NaLi	lithium sodium	lina
202	NaLi^-	lithium sodium anion	lina-
203	NaLi⁺	lithium sodium cation	lina+
204	LiK	Lithium Potassium	lik
205	Na₂	Sodium diatomic	na2
206	Na₂^-	sodium diatomic anion	na2-
207	NaK	Sodium Potassium	nak
208	K₂	Potassium diatomic	k2
209	Cu₂	Copper diatomic	cu2
210	LiBe	Lithium Beryllium	libe
211	LiMg	Lithium magnesium	limg
212	NaBe	Sodium Beryllium	nabe
213	NaMg	Sodium Magnesium	namg
214	Be₂	Beryllium diatomic	be2
215	Be₂^-	Beryllium diatomic anion	be2-
216	Be₂⁺	Beryllium diatomic cation	be2+
217	Mg₂	Magnesium diatomic	mg2
218	Mg₂^-	magnesium diatomic anion	mg2-
219	Mg₂⁺	magnesium diatomic cation	mg2+
220	Ca₂	Calcium diatomic	ca2
221	LiAl	Lithium Aluminum	lial
222	B₂	Boron diatomic	b2
223	B₂^-	Boron diatomic anion	b2-
224	Al₂	Aluminum diatomic	al2
225	Al₂^-	aluminum diatomic anion	al2-
226	Al₂⁺	aluminum diatomic cation	al2+
227	LiBH₄	Lithium borohydride	libh4
228	Al₂H₆	dialane	al2h6
229	LiC	Lithium Carbide	lic
230	BC	boron monocarbide	bc
231	BC^-	boron monocarbide anion	bc-
232	BC⁺	boron monocarbide cation	bc+
233	C₂^-	carbon diatomic anion	c2-
234	SiC	silicon monocarbide	sic
235	SiC^-	silicon monocarbide anion	sic-
236	SiC⁺	silicon monocarbide cation	sic+
237	Si₂	Silicon diatomic	si2
238	Si₂^-	silcon diatomic anion	si2-
239	Si₂⁺	silcon diatomic cation	si2+
240	GeC	Germanium monocarbide	gec
241	Ge₂	Germanium diatomic	ge2
242	C₂H^-	Ethynyl anion	c2h-
243	C₂H⁺	Ethynyl cation	c2h+
244	ZnCH₂	Zinc methylene	znch2
245	C₂H₂	Acetylene	c2h2
246	CCH₂	vinylidene	vinylidene
247	HCCH^-	acetylene anion	c2h2-
248	Si₂H₂	disilyne	si2h2
249	CH₃Li	methyl lithium	ch3li
250	CuCH₃	monomethyl copper	cuch3
251	ZnCH₃	Zinc monomethyl	znch3
252	C₂H₃⁺	vinyl cation	c2h3+
253	C₂H₄	Ethylene	c2h4
254	CH₃CH	methylmethylene	ch3ch
255	CH₂SiH₂	silaethylene	ch2sih2
256	Si₂H₄	Disilene	si2h4
257	C₂H₅^-	Ethyl anion	c2h5-
258	C₂H₅⁺	Ethyl cation	c2h5+
259	C₂H₆⁺	ethane cation	c2h6+
260	CH₃SiH₃	methyl silane	ch3sih3
261	GeH₃CH₃	methyl germane	geh3ch3
262	C₂H₇⁺	Ethane, protonated	c2h7+
263	LiN	Lithium Nitride	lin
264	LiN⁺	Lithium Nitride cation	lin+
265	BeN	Beryllium mononitride	ben
266	BeN^-	Beryllium mononitride anion	ben-
267	BN^-	boron nitride anion	bn-
268	AlN^-	aluminum mononitride anion	aln-
269	AlN⁺	aluminum mononitride cation	aln+
270	AlP	Aluminum monophosphide	alp
271	GaN	Gallium mononitride	gan
272	BN⁺	boron nitride cation	bn+
273	AlN	Aluminum nitride	aln
274	CN⁺	Cyano cation	cn+
275	CP	Carbon monophosphide	cp
276	CP^-	carbon monophosphide anion	cp-
277	CP⁺	carbon monophosphide cation	cp+
278	SiN	Silicon nitride	sin
279	SiN^-	silicon mononitride anion	sin-
280	SiN⁺	silicon mononitride cation	sin+
281	SiP^-	Silicon monophosphide anion	sip-
282	SiP⁺	Silicon monophosphide cation	sip+
283	TiN	Titanium mononitride	tin
284	N₂	Nitrogen diatomic	n2
285	N₂⁺	diatomic nitrogen cation	n2+
286	PN	Phosphorus mononitride	pn
287	PN^-	phosphorus nitride anion	pn-
288	PN⁺	phosphorus nitride cation	pn+
289	P₂	Phosphorus diatomic	p2
290	P₂^-	phosphorus diatomic anion	p2-
291	P₂⁺	phosphorus diatomic cation	p2+
292	AsN	Arsenic mononitride	asn
293	AsP	Arsenic monophosphide	asp
294	SbN	Antimony nitride	sbn
295	As₂	Arsenic diatomic	as2
296	HNB	hydrogen nitrogen boron	hnb
297	HNC	hydrogen isocyanide	hnc
298	HCN^-	Hydrogen cyanide anion	hcn-
299	HCP	Phosphaethyne	hcp
300	HCP⁺	Phosphaethyne cation	hcp+
301	NNH	Dinitrogen monohydride	nnh
302	HPO	Hydrogen phosphorus oxide	hpo
303	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
304	LiNH₂	lithium amide	linh2
305	HBNH	Boranimine	hbnh
306	CNH₂	Aminomethylidyne radical	cnh2
307	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
308	H₂CN	Dihydrogen cyanide radical	h2cn
309	H₂CN⁺	hydrocyanonium cation	h2cn+
310	HCNH	methyleneazane	hcnh
311	HCNH⁺	N-protonated HCN	hcnh+
312	H₂NN	Isodiazene	h2nn
313	CH₂NH	Methanimine	ch3n
314	CHNH₂	aminomethylene	chnh2
315	CHNH₂⁺	Aminocarbene cation	chnh2+
316	CH₂PH	Phosphaethene	ch3p
317	BH₂NH₂	Boranamine	bh2nh2
318	N₂H₄	Hydrazine	n2h4
319	P₂H₄	Diphosphine	p2h4
320	CH₃PH₂	Methyl phosphine	ch3ph2
321	SiH₃NH₂	Silane, amino	sih3nh2
322	N₂H₅⁺	protonated hydrazine	n2h5+
323	BH₃PH₃	borane phosphine	bh3ph3
324	CH₃NH₃	methyl ammonium radical	ch3nh3
325	CH₃NH₃⁺	protonated methylamine	ch3nh3+
326	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
327	NH₃NH₃	Ammonia Dimer	nh3nh3
328	LiO^-	lithium oxide anion	lio-
329	LiO⁺	lithium oxide cation	lio+
330	NaO^-	sodium oxide anion	nao-
331	NaO⁺	sodium oxide cation	nao+
332	CuO	Copper Monoxide	cuo
333	LiSe	Lithium monoselenide	lise
334	BeO	beryllium oxide	beo
335	BeO^-	Beryllium monoxide anion	beo-
336	BeO⁺	Beryllium monoxide cation	beo+
337	BeS	beryllium sulfide	bes
338	MgO	magnesium oxide	mgo
339	MgO^-	magnesium oxide anion	mgo-
340	MgO⁺	magnesium oxide cation	mgo+
341	CaO	Calcium monoxide	cao
342	MgS	magnesium sulfide	mgs
343	MgS^-	magnesium sulfide anion	mgs-
344	MgS⁺	magnesium sulfide cation	mgs+
345	ZnO	zinc monoxide	zno
346	ZnS	Zinc sulfide	zns
347	BeS^-	Beryllium monosulfide anion	bes-
348	BeS⁺	Beryllium monosulfide cation	bes+
349	BO^-	boron monoxide anion	bo-
350	AlO	Aluminum monoxide	alo
351	AlO^-	Aluminum monoxide anion	alo-
352	AlO⁺	aluminum monoxide cation	alo+
353	BS	boron sulfide	bs
354	BS^-	boron monosulfide anion	bs-
355	BS⁺	boron monosulfide cation	bs+
356	AlS	Aluminum sulfide	als
357	AlS^-	aluminum monosulfide anion	als-
358	AlS⁺	aluminum monosulfide cation	als+
359	GaO	Gallium monoxide	gao
360	GaS	Gallium monosulfide	gas
361	BO⁺	boron monoxide cation	bo+
362	CS	carbon monosulfide	cs
363	CS^-	carbon monosulfide anion	cs-
364	CS⁺	carbon monosulfide cation	cs+
365	SiO	Silicon monoxide	sio
366	SiO^-	silicon monoxide anion	sio-
367	SiO⁺	silicon monoxide cation	sio+
368	SiS	silicon monosulfide	sis
369	SiS^-	silicon monosulfide anion	sis-
370	SiS⁺	silicon monosulfide cation	sis+
371	CSe	Carbon monoselenide	cse
372	CSe^-	Carbon monoselenide anion	cse-
373	CSe⁺	Carbon monoselenide cation	cse+
374	GeO	Germanium monoxide	geo
375	GeS	Germanium monosulfide	ges
376	GeSe	Germanium monoselenide	gese
377	NS^-	nitrogen sulfide anion	ns-
378	NS⁺	nitrogen sulfide cation	ns+
379	PO^-	phosphorus monoxide anion	po-
380	PO⁺	phosphorus monoxide cation	po+
381	PS^-	phosphorus monosulfide anion	ps-
382	PS⁺	phosphorus monosulfide cation	ps+
383	AsO	Arsenic monoxide	aso
384	O₂	Oxygen diatomic	o2
385	O₂^--	dioxygen dianion	o2--
386	O₂⁺	diatomic oxygen cation	o2+
387	SO	Sulfur monoxide	so
388	SO^-	sulfur monoxide anion	so-
389	S₂^-	sulfur diatomic anion	s2-
390	S₂⁺	sulfur diatomic cation	s2+
391	SeO	Selenium monoxide	seo
392	SeO^-	selenium monoxide anion	seo-
393	SeO⁺	selenium monoxide cation	seo+
394	SeS	Selenium monosulfide	ses
395	SeS^-	selenium monosulfide anion	ses-
396	SeS⁺	selenium monosulfide cation	ses+
397	TeO	Tellurium monoxide	teo
398	Se₂	Selenium diatomic	se2
399	Se₂^-	selenium diatomic anion	se2-
400	Se₂⁺	selenium diatomic cation	se2+
401	Te₂	Tellurium diatomic	te2
402	NaOH	sodium hydroxide	naoh
403	KOH	Potassium hydroxide	koh
404	MgOH	magnesium hydroxide	mgoh
405	CaOH	Calcium monohydroxide	caoh
406	HBS	hydrogen boron sulfide	hbs
407	HCO	Formyl radical	hco
408	HCO⁺	Formyl cation	hco+
409	HCS	Thioformyl radical	hcs
410	HCS^-	Thioformyl anion	hcs-
411	HCS⁺	Thioformyl cation	hcs+
412	HNO	Nitrosyl hydride	hno
413	HNO^-	Nitrosyl hydride anion	hno-
414	HNS	Sulfur imide	hns
415	HNS^-	Sulfur imide anion	hns-
416	HO₂^-	Hydroperoxy anion	ho2-
417	SOH	Sulfur Hydroxide	soh
418	SOH⁺	Sulfur Monoxide, protonated	soh+
419	HS₂	Thiosulfeno radical	hs2
420	H₂CO	Formaldehyde	h2co
421	HOCH	hydroxycarbene	hoch
422	H₂CS^-	thioformaldehyde anion	h2cs-
423	H₂CS⁺	thioformaldehyde cation	h2cs+
424	H₂CSe	Selenoformaldehyde	h2cse
425	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
426	H₂OO	water oxide	h2oo
427	HOSH	hydrogen thioperoxide	hosh
428	H₂Se₂	hydrogen diselenide	h2se2
429	CH₂OH⁺	hydroxymethyl cation	ch2oh+
430	CH₃O	Methoxy radical	ch3o
431	CH₃O^-	methoxy anion	ch3o-
432	CH₃S	thiomethoxy	ch3s
433	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
434	NH₃O	Ammonia Oxide	nh3o
435	H₂POH	Phosphinous acid	h2poh
436	H₃PO	Phosphine oxide	h3po
437	NH₂SH	Thiohydroxylamine	nh2sh
438	NH₃S	sulfidoazane	nh3s
439	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
440	CH₃OH	Methyl alcohol	ch3oh
441	CH₃OH⁺	Methyl alcohol cation	ch3oh+
442	SiH₃OH	silanol	sih3oh
443	CH₃SeH	Methane selenol	ch3seh
444	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
445	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
446	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
447	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
448	H₂ONH₃	Water Ammonia Dimer	h2onh3
449	H₅O₂⁺	Dihydroxonium ion	h5o2+
450	LiF	lithium fluoride	lif
451	LiCl^-	lithium chloride anion	licl-
452	LiCl⁺	lithium chloride cation	licl+
453	NaF^-	sodium fluoride anion	naf-
454	NaF⁺	sodium fluoride cation	naf+
455	KF	Potassium Fluoride	kf
456	NaCl^-	sodium chloride anion	nacl-
457	NaCl⁺	sodium chloride cation	nacl+
458	KCl	Potassium Chloride	kcl
459	CuF	Copper monofluoride	cuf
460	LiBr	Lithium Bromide	libr
461	LiBr^-	lithium bromide anion	libr-
462	LiBr⁺	lithium bromide cation	libr+
463	CuCl	Copper monochloride	cucl
464	NaBr	Sodium Bromide	nabr
465	NaBr^-	sodium bromide anion	nabr-
466	NaBr⁺	sodium bromide cation	nabr+
467	KBr	Potassium Bromide	kbr
468	LiI	Lithium Iodide	lii
469	NaI	Sodium Iodide	nai
470	KI	Potassium Iodide	ki
471	LiF^-	lithium fluoride anion	lif-
472	LiF⁺	lithium fluoride cation	lif+
473	BeF	Beryllium monofluoride	bef
474	BeF^-	Beryllium monofluoride anion	bef-
475	BeF⁺	Beryllium monofluoride cation	bef+
476	BeCl	beryllium monochloride	becl
477	MgF	Magnesium monofluoride	mgf
478	MgF^-	magnesium fluoride anion	mgf-
479	CaF	Calcium monofluoride	caf
480	MgCl	magnesium monochloride	mgcl
481	MgCl^-	magnesium monochloride anion	mgcl-
482	MgCl⁺	magnesium monochloride cation	mgcl+
483	CaCl	calcium monochloride	cacl
484	TiCl	Titanium Monochloride	ticl
485	ZnF^-	Zinc monofluoride anion	znf-
486	ZnF⁺	Zinc monofluoride cation	znf+
487	ZnCl	Zinc monochloride	zncl
488	CaBr	Calcium monobromide	cabr
489	BeCl^-	beryllium monochloride anion	becl-
490	BeCl⁺	beryllium monochloride cation	becl+
491	BF	Boron monofluoride	bf
492	BF^-	Boron monofluoride anion	bf-
493	BF⁺	Boron monofluoride cation	bf+
494	AlF	Aluminum monofluoride	alf
495	AlF^-	Aluminum monofluoride anion	alf-
496	AlF⁺	Aluminum monofluoride cation	alf+
497	BCl	boron monochloride	bcl
498	BCl^-	boron monochloride anion	bcl-
499	BCl⁺	boron monochloride cation	bcl+
500	AlCl	Aluminum monochloride	alcl

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 diatomic anion

h2-

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+

Lithium atom

Li⁺

Lithium atom cation

li+

Sodium atom

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 anion

lih-

LiH⁺

lithium hydride cation

lih+

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Beryllium atom

Be^-

Beryllium atom anion

be-

Be⁺

Beryllium atom cation

be+

Magnesium atom

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^-

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+

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

Boron atom

B^-

Boron atom anion

B⁺

Boron atom cation

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 anion

alh3-

AlH₃⁺

aluminum trihydride cation

alh3+

GaH₃

Gallium trihydride

gah3

BH₄^-

borohydride anion

bh4-

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Silicon atom

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-

100

SiH₂

silicon dihydride

sih2

101

SiH₂^-

silicon dihydride anion

sih2-

102

SiH₂⁺

silicon dihydride cation

sih2+

103

GeH₂^-

germylene anion

geh2-

104

SiH₃^-

Silyl anion

sih3-

105

GeH₃

Germyl radical

geh3

106

GeH₃⁺

germyl cation

geh3+

107

CD₄

methane-d4

cd4

108

CH₂D₂

methane-d2

ch2d2

109

CH₃D

methane-d

ch3d

110

CH₄⁺

Methane cation

ch4+

111

CHD₃

methane-d3

chd3

112

SiH₂D₂

silane-d2

sih2d2

113

SiH₄⁺

Silane cation

sih4+

114

GeH₄

Germane

geh4

115

SnH₄

Stannane

snh4

116

SiH₅⁺

Silane, protonated

sih5+

117

N^-

Nitrogen atom anion

118

N⁺

Nitrogen atom cation

119

P^-

Phosphorus atom anion

120

P⁺

Phosphorus atom cation

121

Antimony atom

122

Imidogen

123

NH^-

Imidogen anion

nh-

124

NH⁺

imidogen cation

nh+

125

PH^-

phosphorus monohydride anion

ph-

126

PH⁺

phosphorus monohydride cation

ph+

127

AsH

Arsenic monohydride

ash

128

AsH⁺

Arsenic monohydride cation

ash+

129

SbH

Antimony monohydride

sbh

130

ND₂

Amidogen-d2

nd2

131

NH₂^-

amino anion

nh2-

132

NH₂⁺

Amino cation

nh2+

133

PH₂

Phosphino radical

ph2

134

PH₂^-

Phosphino anion

ph2-

135

PH₂⁺

Phosphino cation

ph2+

136

AsH₂

Arsenic dihydride

ash2

137

AsH₂⁺

Arsenic dihydride cation

ash2+

138

ND₃

Ammonia-d3

nd3

139

AsH₃

Arsine

ash3

140

AsH₃⁺

Arsine cation

ash3+

141

SbH₃

Stibine

sbh3

142

AsH₄⁺

Arsonium

ash4+

143

NH₄

Ammonium radical

nh4

144

Oxygen atom

145

O^-

Oxygen atom anion

146

O⁺

Oxygen atom cation

147

Chromium atom

148

Selenium atom

149

Se^-

Selenium atom anion

se-

150

Se⁺

Selenium atom cation

se+

151

Tellurium atom

152

Te⁺

Tellurium atom cation

te+

153

Hydroxyl-d

154

Mercapto-d

155

HSe

Selenium monohydride

hse

156

HSe^-

selenium monohydride anion

hse-

157

TeH

Telluryl radical

teh

158

D₂O

Deuterium oxide

d2o

159

D₂S

Hydrogen sulfide-d2

d2s

160

H₂S^-

Hydrogen sulfide anion

h2s-

161

H₂Se

Hydrogen selenide

h2se

162

H₂Se⁺

Hydrogen selenide cation

h2se+

163

H₂Te

Hydrogen Telluride

h2te

164

H₃S⁺

Sulfonium cation

h3s+

165

Fluorine atom

166

Manganese atom

167

Bromine atom

168

Br^-

Bromine atom anion

br-

169

Br⁺

Bromine atom cation

br+

170

Iodine atom

iodine

171

I^-

Iodine atom anion

iodine-

172

I⁺

Iodine atom cation

iodine+

173

Hydrofluoric acid-d

174

HF^-

hydrogen fluoride anion

hf-

175

HF⁺

hydrogen fluoride cation

hf+

176

DCl

Hydrochloric acid-d

dcl

177

HCl

Hydrogen chloride

hcl

178

HCl^-

hydrogen chloride anion

hcl-

179

HBr^-

hydrogen bromide anion

hbr-

180

HBr⁺

hydrogen bromide cation

hbr+

181

Hydrogen iodide

182

HI⁺

Hydrogen iodide cation

hi+

183

H₂F⁺

dihydrogen fluoride cation

h2f+

184

H₂I⁺

Iodonium

h2i+

185

Ne^-

Neon atom anion

ne-

186

Ne⁺

Neon atom cation

ne+

187

Argon atom

188

Ar^-

Argon atom anion

ar-

189

Ar⁺

Argon atom cation

ar+

190

Iron atom

191

Xenon atom

192

HeLi⁺

Helium Lithium cation

heli+

193

NeH

neon hydrogen

neh

194

NeH⁺

neon hydrogen cation

neh+

195

XeH⁺

Xenon, protonated

xeh+

196

Cobalt atom

cobalt

197

Nickel atom

198

Li₂

Lithium diatomic

li2

199

Li₂^-

lithium diatomic anion

li2-

200

Li₂⁺

lithium diatomic cation

li2+

201

NaLi

lithium sodium

lina

202

NaLi^-

lithium sodium anion

lina-

203

NaLi⁺

lithium sodium cation

lina+

204

LiK

Lithium Potassium

lik

205

Na₂

Sodium diatomic

na2

206

Na₂^-

sodium diatomic anion

na2-

207

NaK

Sodium Potassium

nak

208

K₂

Potassium diatomic

209

Cu₂

Copper diatomic

cu2

210

LiBe

Lithium Beryllium

libe

211

LiMg

Lithium magnesium

limg

212

NaBe

Sodium Beryllium

nabe

213

NaMg

Sodium Magnesium

namg

214

Be₂

Beryllium diatomic

be2

215

Be₂^-

Beryllium diatomic anion

be2-

216

Be₂⁺

Beryllium diatomic cation

be2+

217

Mg₂

Magnesium diatomic

mg2

218

Mg₂^-

magnesium diatomic anion

mg2-

219

Mg₂⁺

magnesium diatomic cation

mg2+

220

Ca₂

Calcium diatomic

ca2

221

LiAl

Lithium Aluminum

lial

222

B₂

Boron diatomic

223

B₂^-

Boron diatomic anion

b2-

224

Al₂

Aluminum diatomic

al2

225

Al₂^-

aluminum diatomic anion

al2-

226

Al₂⁺

aluminum diatomic cation

al2+

227

LiBH₄

Lithium borohydride

libh4

228

Al₂H₆

dialane

al2h6

229

LiC

Lithium Carbide

lic

230

boron monocarbide

231

BC^-

boron monocarbide anion

bc-

232

BC⁺

boron monocarbide cation

bc+

233

C₂^-

carbon diatomic anion

c2-

234

SiC

silicon monocarbide

sic

235

SiC^-

silicon monocarbide anion

sic-

236

SiC⁺

silicon monocarbide cation

sic+

237

Si₂

Silicon diatomic

si2

238

Si₂^-

silcon diatomic anion

si2-

239

Si₂⁺

silcon diatomic cation

si2+

240

GeC

Germanium monocarbide

gec

241

Ge₂

Germanium diatomic

ge2

242

C₂H^-

Ethynyl anion

c2h-

243

C₂H⁺

Ethynyl cation

c2h+

244

ZnCH₂

Zinc methylene

znch2

245

C₂H₂

Acetylene

c2h2

246

CCH₂

vinylidene

247

HCCH^-

acetylene anion

c2h2-

248

Si₂H₂

disilyne

si2h2

249

CH₃Li

methyl lithium

ch3li

250

CuCH₃

monomethyl copper

cuch3

251

ZnCH₃

Zinc monomethyl

znch3

252

C₂H₃⁺

vinyl cation

c2h3+

253

C₂H₄

Ethylene

c2h4

254

CH₃CH

methylmethylene

ch3ch

255

CH₂SiH₂

silaethylene

ch2sih2

256

Si₂H₄

Disilene

si2h4

257

C₂H₅^-

Ethyl anion

c2h5-

258

C₂H₅⁺

Ethyl cation

c2h5+

259

C₂H₆⁺

ethane cation

c2h6+

260

CH₃SiH₃

methyl silane

ch3sih3

261

GeH₃CH₃

methyl germane

geh3ch3

262

C₂H₇⁺

Ethane, protonated

c2h7+

263

LiN

Lithium Nitride

lin

264

LiN⁺

Lithium Nitride cation

lin+

265

BeN

Beryllium mononitride

ben

266

BeN^-

Beryllium mononitride anion

ben-

267

BN^-

boron nitride anion

bn-

268

AlN^-

aluminum mononitride anion

aln-

269

AlN⁺

aluminum mononitride cation

aln+

270

AlP

Aluminum monophosphide

alp

271

GaN

Gallium mononitride

gan

272

BN⁺

boron nitride cation

bn+

273

AlN

Aluminum nitride

aln

274

CN⁺

Cyano cation

cn+

275

Carbon monophosphide

276

CP^-

carbon monophosphide anion

cp-

277

CP⁺

carbon monophosphide cation

cp+

278

SiN

Silicon nitride

sin

279

SiN^-

silicon mononitride anion

sin-

280

SiN⁺

silicon mononitride cation

sin+

281

SiP^-

Silicon monophosphide anion

sip-

282

SiP⁺

Silicon monophosphide cation

sip+

283

TiN

Titanium mononitride

tin

284

N₂

Nitrogen diatomic

285

N₂⁺

diatomic nitrogen cation

n2+

286

Phosphorus mononitride

287

PN^-

phosphorus nitride anion

pn-

288

PN⁺

phosphorus nitride cation

pn+

289

P₂

Phosphorus diatomic

290

P₂^-

phosphorus diatomic anion

p2-

291

P₂⁺

phosphorus diatomic cation

p2+

292

AsN

Arsenic mononitride

asn

293

AsP

Arsenic monophosphide

asp

294

SbN

Antimony nitride

sbn

295

As₂

Arsenic diatomic

as2

296

HNB

hydrogen nitrogen boron

hnb

297

HNC

hydrogen isocyanide

hnc

298

HCN^-

Hydrogen cyanide anion

hcn-

299

HCP

Phosphaethyne

hcp

300

HCP⁺

Phosphaethyne cation

hcp+

301

NNH

Dinitrogen monohydride

nnh

302

HPO

Hydrogen phosphorus oxide

hpo

303

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

304

LiNH₂

lithium amide

linh2

305

HBNH

Boranimine

hbnh

306

CNH₂

Aminomethylidyne radical

cnh2

307

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

308

H₂CN

Dihydrogen cyanide radical

h2cn

309

H₂CN⁺

hydrocyanonium cation

h2cn+

310

HCNH

methyleneazane

hcnh

311

HCNH⁺

N-protonated HCN

hcnh+

312

H₂NN

Isodiazene

h2nn

313

CH₂NH

Methanimine

ch3n

314

CHNH₂

aminomethylene

chnh2

315

CHNH₂⁺

Aminocarbene cation

chnh2+

316

CH₂PH

Phosphaethene

ch3p

317

BH₂NH₂

Boranamine

bh2nh2

318

N₂H₄

Hydrazine

n2h4

319

P₂H₄

Diphosphine

p2h4

320

CH₃PH₂

Methyl phosphine

ch3ph2

321

SiH₃NH₂

Silane, amino

sih3nh2

322

N₂H₅⁺

protonated hydrazine

n2h5+

323

BH₃PH₃

borane phosphine

bh3ph3

324

CH₃NH₃

methyl ammonium radical

ch3nh3

325

CH₃NH₃⁺

protonated methylamine

ch3nh3+

326

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

327

NH₃NH₃

Ammonia Dimer

nh3nh3

328

LiO^-

lithium oxide anion

lio-

329

LiO⁺

lithium oxide cation

lio+

330

NaO^-

sodium oxide anion

nao-

331

NaO⁺

sodium oxide cation

nao+

332

CuO

Copper Monoxide

cuo

333

LiSe

Lithium monoselenide

lise

334

BeO

beryllium oxide

beo

335

BeO^-

Beryllium monoxide anion

beo-

336

BeO⁺

Beryllium monoxide cation

beo+

337

BeS

beryllium sulfide

bes

338

MgO

magnesium oxide

mgo

339

MgO^-

magnesium oxide anion

mgo-

340

MgO⁺

magnesium oxide cation

mgo+

341

CaO

Calcium monoxide

cao

342

MgS

magnesium sulfide

mgs

343

MgS^-

magnesium sulfide anion

mgs-

344

MgS⁺

magnesium sulfide cation

mgs+

345

ZnO

zinc monoxide

zno

346

ZnS

Zinc sulfide

zns

347

BeS^-

Beryllium monosulfide anion

bes-

348

BeS⁺

Beryllium monosulfide cation

bes+

349

BO^-

boron monoxide anion

bo-

350

AlO

Aluminum monoxide

alo

351

AlO^-

Aluminum monoxide anion

alo-

352

AlO⁺

aluminum monoxide cation

alo+

353

boron sulfide

354

BS^-

boron monosulfide anion

bs-

355

BS⁺

boron monosulfide cation

bs+

356

AlS

Aluminum sulfide

als

357

AlS^-

aluminum monosulfide anion

als-

358

AlS⁺

aluminum monosulfide cation

als+

359

GaO

Gallium monoxide

gao

360

GaS

Gallium monosulfide

gas

361

BO⁺

boron monoxide cation

bo+

362

carbon monosulfide

363

CS^-

carbon monosulfide anion

cs-

364

CS⁺

carbon monosulfide cation

cs+

365

SiO

Silicon monoxide

sio

366

SiO^-

silicon monoxide anion

sio-

367

SiO⁺

silicon monoxide cation

sio+

368

SiS

silicon monosulfide

sis

369

SiS^-

silicon monosulfide anion

sis-

370

SiS⁺

silicon monosulfide cation

sis+

371

CSe

Carbon monoselenide

cse

372

CSe^-

Carbon monoselenide anion

cse-

373

CSe⁺

Carbon monoselenide cation

cse+

374

GeO

Germanium monoxide

geo

375

GeS

Germanium monosulfide

ges

376

GeSe

Germanium monoselenide

gese

377

NS^-

nitrogen sulfide anion

ns-

378

NS⁺

nitrogen sulfide cation

ns+

379

PO^-

phosphorus monoxide anion

po-

380

PO⁺

phosphorus monoxide cation

po+

381

PS^-

phosphorus monosulfide anion

ps-

382

PS⁺

phosphorus monosulfide cation

ps+

383

AsO

Arsenic monoxide

aso

384

O₂

Oxygen diatomic

385

O₂^--

dioxygen dianion

o2--

386

O₂⁺

diatomic oxygen cation

o2+

387

Sulfur monoxide

388

SO^-

sulfur monoxide anion

so-

389

S₂^-

sulfur diatomic anion

s2-

390

S₂⁺

sulfur diatomic cation

s2+

391

SeO

Selenium monoxide

seo

392

SeO^-

selenium monoxide anion

seo-

393

SeO⁺

selenium monoxide cation

seo+

394

SeS

Selenium monosulfide

ses

395

SeS^-

selenium monosulfide anion

ses-

396

SeS⁺

selenium monosulfide cation

ses+

397

TeO

Tellurium monoxide

teo

398

Se₂

Selenium diatomic

se2

399

Se₂^-

selenium diatomic anion

se2-

400

Se₂⁺

selenium diatomic cation

se2+

401

Te₂

Tellurium diatomic

te2

402

NaOH

sodium hydroxide

naoh

403

KOH

Potassium hydroxide

koh

404

MgOH

magnesium hydroxide

mgoh

405

CaOH

Calcium monohydroxide

caoh

406

HBS

hydrogen boron sulfide

hbs

407

HCO

Formyl radical

hco

408

HCO⁺

Formyl cation

hco+

409

HCS

Thioformyl radical

hcs

410

HCS^-

Thioformyl anion

hcs-

411

HCS⁺

Thioformyl cation

hcs+

412

HNO

Nitrosyl hydride

hno

413

HNO^-

Nitrosyl hydride anion

hno-

414

HNS

Sulfur imide

hns

415

HNS^-

Sulfur imide anion

hns-

416

HO₂^-

Hydroperoxy anion

ho2-

417

SOH

Sulfur Hydroxide

soh

418

SOH⁺

Sulfur Monoxide, protonated

soh+

419

HS₂

Thiosulfeno radical

hs2

420

H₂CO

Formaldehyde

h2co

421

HOCH

hydroxycarbene

hoch

422

H₂CS^-

thioformaldehyde anion

h2cs-

423

H₂CS⁺

thioformaldehyde cation

h2cs+

424

H₂CSe

Selenoformaldehyde

h2cse

425

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

426

H₂OO

water oxide

h2oo

427

HOSH

hydrogen thioperoxide

hosh

428

H₂Se₂

hydrogen diselenide

h2se2

429

CH₂OH⁺

hydroxymethyl cation

ch2oh+

430

CH₃O

Methoxy radical

ch3o

431

CH₃O^-

methoxy anion

ch3o-

432

CH₃S

thiomethoxy

ch3s

433

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

434

NH₃O

Ammonia Oxide

nh3o

435

H₂POH

Phosphinous acid

h2poh

436

H₃PO

Phosphine oxide

h3po

437

NH₂SH

Thiohydroxylamine

nh2sh

438

NH₃S

sulfidoazane

nh3s

439

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

440

CH₃OH

Methyl alcohol

ch3oh

441

CH₃OH⁺

Methyl alcohol cation

ch3oh+

442

SiH₃OH

silanol

sih3oh

443

CH₃SeH

Methane selenol

ch3seh

444

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

445

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

446

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

447

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

448

H₂ONH₃

Water Ammonia Dimer

h2onh3

449

H₅O₂⁺

Dihydroxonium ion

h5o2+

450

LiF

lithium fluoride

lif

451

LiCl^-

lithium chloride anion

licl-

452

LiCl⁺

lithium chloride cation

licl+

453

NaF^-

sodium fluoride anion

naf-

454

NaF⁺

sodium fluoride cation

naf+

455

Potassium Fluoride

456

NaCl^-

sodium chloride anion

nacl-

457

NaCl⁺

sodium chloride cation

nacl+

458

KCl

Potassium Chloride

kcl

459

CuF

Copper monofluoride

cuf

460

LiBr

Lithium Bromide

libr

461

LiBr^-

lithium bromide anion

libr-

462

LiBr⁺

lithium bromide cation

libr+

463

CuCl

Copper monochloride

cucl

464

NaBr

Sodium Bromide

nabr

465

NaBr^-

sodium bromide anion

nabr-

466

NaBr⁺

sodium bromide cation

nabr+

467

KBr

Potassium Bromide

kbr

468

LiI

Lithium Iodide

lii

469

NaI

Sodium Iodide

nai

470

Potassium Iodide

471

LiF^-

lithium fluoride anion

lif-

472

LiF⁺

lithium fluoride cation

lif+

473

BeF

Beryllium monofluoride

bef

474

BeF^-

Beryllium monofluoride anion

bef-

475

BeF⁺

Beryllium monofluoride cation

bef+

476

BeCl

beryllium monochloride

becl

477

MgF

Magnesium monofluoride

mgf

478

MgF^-

magnesium fluoride anion

mgf-

479

CaF

Calcium monofluoride

caf

480

MgCl

magnesium monochloride

mgcl

481

MgCl^-

magnesium monochloride anion

mgcl-

482

MgCl⁺

magnesium monochloride cation

mgcl+

483

CaCl

calcium monochloride

cacl

484

TiCl

Titanium Monochloride

ticl

485

ZnF^-

Zinc monofluoride anion

znf-

486

ZnF⁺

Zinc monofluoride cation

znf+

487

ZnCl

Zinc monochloride

zncl

488

CaBr

Calcium monobromide

cabr

489

BeCl^-

beryllium monochloride anion

becl-

490

BeCl⁺

beryllium monochloride cation

becl+

491

Boron monofluoride

492

BF^-

Boron monofluoride anion

bf-

493

BF⁺

Boron monofluoride cation

bf+

494

AlF

Aluminum monofluoride

alf

495

AlF^-

Aluminum monofluoride anion

alf-

496

AlF⁺

Aluminum monofluoride cation

alf+

497

BCl

boron monochloride

bcl

498

BCl^-

boron monochloride anion

bcl-

499

BCl⁺

boron monochloride cation

bcl+

500

AlCl

Aluminum monochloride

alcl

501

AlCl^-

aluminum monochloride anion

alcl-

502

AlCl⁺

aluminum monochloride cation

alcl+

503

BBr

Boron monobromide

bbr

504

GaF

Gallium monofluoride

gaf

505

AlBr

Aluminum monobromide

albr

506

GaCl

Gallium monochloride

gacl

507

AlI

Aluminum monoiodide

ali

508

GaBr

Gallium monobromide

gabr

509

CF^-

carbon monofluoride anion

cf-

510

CF⁺

carbon monofluoride cation

cf+

511

CCl

carbon monochloride

ccl

512

CCl^-

carbon monochloride anion

ccl-

513

CCl⁺

carbon monochloride cation

ccl+

514

SiF^-

silicon monofluoride anion

sif-

515

SiCl

Clorosilylidyne

sicl

516

SiCl^-

silicon monochloride anion

sicl-

517

SiCl⁺

silicon monochloride cation

sicl+

518

CBr

Carbon monobromide

cbr

519

GeF

Germanium monofluoride

gef

520

GeF⁺

Germanium monofluoride cation

gef+

521

GeCl

Germanium monochloride

gecl

522

GeCl⁺

Germanium monochloride cation

gecl+

523

SiBr

Silicon monobromide

sibr

524

SiBr⁺

Silicon monobromide cation

sibr+

525

nitrogen fluoride

526

NF^-

nitrogen monofluorine anion

nf-

527

NF⁺

nitrogen monofluoirde cation

nf+

528

NCl^-

nitrogen monochloride anion

ncl-

529

NCl⁺

nitrogen monochloride cation

ncl+

530

phosphorus monofluoride

531

PF^-

phosphorus monofluoride anion

pf-

532

PF⁺

phosphorus monofluoride cation

pf+

533

PCl

phosphorus chloride

pcl

534

PCl^-

phosphorus monochloride anion

pcl-

535

PCl⁺

phosphorus monochloride cation

pcl+

536

NBr

nitrogen monobromide

nbr

537

PBr

Phosphorus monobromide

pbr

538

SbF

Antimony monofluoride

sbf

539

SbCl

Antimony monochloride

sbcl

540

FO^-

flourine oxide anion

fo-

541

FO⁺

fluorine monoxide cation

fo+

542

ClO

Monochlorine monoxide

clo

543

ClO^-

chlorine monoxide anion

clo-

544

ClO⁺

chlorine monoxide cation

clo+

545

SF^-

sulfur monofluoride anion

sf-

546

SF⁺

sulfur monofluoride cation

sf+

547

SCl

sulfur monochloride

scl

548

SCl^-

sulfur monochloride anion

scl-

549

SCl⁺

sulfur monochloride cation

scl+

550

BrO

Bromine monoxide

bro

551

BrO^-

Bromine monoxide anion

bro-

552

BrO⁺

Bromine monoxide cation

bro+

553

SBr

Sulfur monobromide radical

sbr

554

SBr⁺

Sulfur monobromide cation

sbr+

555

Iodine monoxide

556

SeBr

Selenium monobromide

sebr

557

BrCl

Bromine monochloride

brcl

558

ClF^-

clorine monofluoride anion

clf-

559

ClF⁺

clorine monofluoride cation

clf+

560

Cl₂^-

chlorine diatomic anion

cl2-

561

BrF

Bromine monofluoride

brf

562

BrF^-

bromine fluoride anion

brf-

563

BrF⁺

bromine fluoride cation

brf+

564

BrCl^-

bromine chloride anion

brcl-

565

BrCl⁺

bromine chloride cation

brcl+

566

Iodine monofluoride

567

Br₂

Bromine diatomic

br2

568

Br₂^-

bromine diatomic anion

br2-

569

Br₂⁺

bromine diatomic cation

br2+

570

ICl

Iodine monochloride

icl

571

IBr

Iodine monobromide

ibr

572

I₂

Iodine diatomic

573

I₂⁺

Iodine diatomic cation

i2+

574

HCCl

Chloromethylene

hccl

575

HSiF

fluorosilylene

hsif

576

HSiCl

Chlorosilylene

hsicl

577

HSiBr

monobromosilylene

hsibr

578

CHBr

bromomethylene

chbr

579

HOF

Hypofluorous acid

hfo

580

DOCl

Hypochlorous acid-d

docl

581

HOCl

hypochlorous acid

hocl

582

HOCl⁺

hypochlorous acid cation

hocl+

583

HOBr

Hypobromous acid

hobr

584

HOBr⁺

Hypobromous acid cation

hobr+

585

HOI

Hypoiodous acid

hoi

586

F₂H⁺

Fluorine, protonated

f2h+

587

FHF

Hydrogen difluoride

fhf

588

FHF^-

Hydrogen difluoride anion

fhf-

589

ClFH⁺

Chlorine fluoride, F-protonated

clfh+

590

FClH⁺

Chlorine fluoride, Cl-protonated

fclh+

591

Cl₂H⁺

Chlorine, protonated

cl2h+

592

CH₂Br

bromomethyl radical

ch2br

593

CH₂F⁺

fluoromethyl cation

ch2f+

594

CH₂Cl⁺

chloromethyl cation

ch2cl+

595

CH₂Cl

chloromethyl radical

ch2cl

596

NH₂F

monofluoroamine

nh2f

597

NH₂Cl

chloramine

nh2cl

598

H₂F₂

Hydrogen fluoride dimer

h2f2

599

CH₃F⁺

methyl fluoride cation

ch3f+

600

CD₃F

methylfluoride-d3

cd3f

601

CD₃Cl

methyl chloride d3

cd3cl

602

CH₃Cl⁺

Methyl chloride cation

ch3cl+

603

SiH₃F

monofluorosilane

sih3f

604

SiH₃Cl

chlorosilane

sih3cl

605

CH₃Br

methyl bromide

ch3br

606

GeH₃F

monofluorogermane

geh3f

607

GeH₃Cl

monochlorogermane

geh3cl

608

SiH₃Br

bromosilane

sih3br

609

CH₃I

methyl iodide

ch3i

610

SiH₃I

Silyl Iodide

sih3i

611

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

612

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

613

NH₄Cl

Ammonium chloride

nh4cl

614

Ne₂

Neon diatomic

ne2

615

C₃⁺

carbon trimer cation

c3+

616

SiC₂

Silicon dicarbide

sic2

617

C₃H₃

Propargyl radical

propargyl

618

C₃H₃^-

Propargyl anion

c3h3-

619

C₃H₃⁺

cyclopropenyl cation

cpr+

620

C₃H₃⁺

Propargyl cation

c3h3+

621

C₃H₄

cyclopropene

cprop

622

CH₂CCH₂

allene

623

CH₃CCH

propyne

624

C₃H₅⁺

Allyl cation

allyl+

625

CH₃CHCH

1-propenyl radical

ch3chch

626

Zn(CH₃)₂

dimethyl zinc

dmz

627

C₃H₆

Cyclopropane

c3h6

628

CH₂CHCH₃

Propene

propene

629

C₃H₇

n-Propyl radical

npropyl

630

C₃H₇⁺

cyclopropane, protonated

c3h7+

631

CH₃CHCH₃

Isopropyl radical

isopropyl

632

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

633

C₃H₈

Propane

propane

634

SiH₂(CH₃)₂

dimethylsilane

dms

635

Si₃H₈

trisilane

si3h8

636

CuCN

Copper cyanide

cucn

637

ZnCN

Zinc monocyanide

zncn

638

ZnNC

Zinc isocyanide

znnc

639

AlCN

Aluminum monocyanide

alcn

640

AlNC

Aluminum isocyanide

alnc

641

CN₂

3H-Diazirin-3-ylidene

cn2

642

CNN

Diazocarbene

cnn

643

NCN

Cyanoimidogen

ncn

644

N₃^-

azide anion

n3-

645

HCNN

diazomethyl radical

hcnn

646

HN₃

hydrogen azide

hn3

647

HN₃⁺

Hydrazoic acid cation

hn3+

648

HNCNH

diiminomethane

hncnh

649

CH₂N₂

diazirine

ch2n2

650

CH₂NN

diazomethane

ch2nn

651

HNNNH⁺

1,2-Triazadienium

n2h3+

652

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

653

CH₃CN

Acetonitrile

ch3cn

654

CH₃CN^-

acetonitrile anion

ch3cn-

655

CH₃CN⁺

Acetonitrile cation

ch3cn+

656

CH₃NC

methyl isocyanide

ch3nc

657

CHNCH₂

2H-Azirine

c157164

658

CHNHCH

1H-Azirine

chnhch

659

H₂CCNH

Ethenimine

ch2cnh

660

H₂CNCH

methyleneaminomethylene

ch2nch

661

HCCNH₂

Ethynamine

hccnh2

662

HCNCH₂⁺

2H-Azirine cation

hcnch2+

663

NCNH₃⁺

Cyanamide, protonated

ncnh3+

664

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

665

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

666

CH₃CHN

methylmethaniminyl radical

ch3chn

667

NHCHNH₂

aminomethanimine

cn2h4

668

C₂H₅N

Aziridine

c2h5n

669

CH₂CHNH₂

aminoethene

670

CH₂NCH₃

N-methylmethanimine

nmm

671

CH₃CHNH

ethanimine

672

NH₂BHNH₂

diaminoborane

nh2bhnh2

673

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

674

C₂H₆N⁺

aziridine, protonated

c2h6n+

675

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

676

CH₃CH₂NH₂

Ethylamine

etam

677

CH₃NHCH₃

Dimethylamine

ch3nhch3

678

CH₃PHCH₃

dimethylphosphine

ch3phch3

679

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

680

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

681

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

682

Li₂O⁺

dilithium oxide cation

li2o+

683

Na₂S

Sodium sulfide

na2s

684

LiO₂

Lithium dioxide

lio2

685

NaO₂

Sodium superoxide

nao2

686

CNO^-

fulminate

cno-

687

NCO^-

cyanate

nco-

688

SCN

thiocyanato radical

scn

689

SCN^-

thiocyanide anion

scn-

690

BO₂

Boron dioxide

bo2

691

BO₂^-

Boron dioxide anion

bo2-

692

BO₂⁺

Boron dioxide cation

bo2+

693

N₂O⁺

Nitrous oxide cation

n2o+

694

NNS

Nitrogen sulfide

nns

695

PPO

Phosphorus oxide phosphide

ppo

696

CO₂

Carbon dioxide

co2

697

CO₂^-

Carbon dioxide anion

co2-

698

CO₂⁺

Carbon dioxide cation

co2+

699

OCS⁺

Carbonyl sulfide cation

cos+

700

SiO₂

silicon dioxide

sio2

701

CS₂

Carbon disulfide

cs2

702

CS₂^-

Carbon disulfide anion

cs2-

703

CS₂⁺

Carbon disulfide cation

cs2+

704

TiO₂

Titanium dioxide

tio2

705

GeO₂

Germanium dioxide

geo2

706

OCSe

Carbonyl selenide

ocse

707

SCSe

Carbon sulfide selenide

scse

708

GeS₂

Germanium disulfide

ges2

709

CSe₂

Carbon diselenide

cse2

710

SCTe

Carbon sulfide Telluride

scte

711

NO₂^-

Nitrogen dioxide anion

no2-

712

NSO

sulfinyl amidogen

NSO

713

PO₂

Phosphorus dioxide

po2

714

PO₂^-

Phosphorus dioxide anion

po2-

715

PO₂⁺

Phosphorus dioxide cation

po2+

716

SNO

Nitrogen oxide sulfide

sno

717

AsO₂

Aresenic dioxide

aso2

718

O₃^-

Ozone anion

o3-

719

O₃⁺

Ozone cation

o3+

720

SO₂

Sulfur dioxide

so2

721

SO₂^-

Sulfur dioxide anion

so2-

722

SO₂⁺

Sulfur dioxide cation

so2+

723

SSO

Disulfur monoxide

sso

724

S₃^-

Sulfur trimer anion

s3-

725

SeO₂

Selenium dioxide

seo2

726

SeO₂⁺

Selenium dioxide cation

seo2+

727

TeO₂

Tellurium Dioxide

teo2

728

HCCO

ketenyl radical

ketenyl

729

CS₂H⁺

Carbon disulfide, protonated

cs2h+

730

HNCO

Isocyanic acid

hnco

731

HOCN

cyanic acid

hocn

732

HNCS

Isothiocyanic acid

hncs

733

HSCN

thiocyanic acid

hscn

734

HCO₂^-

formate anion

hco2-

735

HNNO

nitrosoazane

hnno

736

HCOO

formate neutral radical

hcoo

737

HOCO

Hydrocarboxyl radical

hoco

738

HOCO⁺

Hydrocarboxyl cation

hoco+

739

HNO₂

Nitrous acid

hno2

740

HNO₂⁺

nitrous acid cation

hno2+

741

SO₂H⁺

protonated sulfur dioxide

so2h+

742

C₂H₂O

Oxirene

oxirene

743

CH₂CO

Ketene

ch2co

744

CH₂CO⁺

Ketene cation

ch2co+

745

HCCOH

ethynol

hccoh

746

CH₂CS

Thioketene

ch2cs

747

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

748

NH₂NO

Nitrosamide

nh2no

749

CH₂O₂

Dioxirane

diox

750

H₂COO⁺

dioxymethyl cation

h2coo+

751

H₂O₃

Hydrogen trioxide

h2o3

752

HSSSH

trisulfane

hsssh

753

NaOCH₃

Sodium methoxide

naoch3

754

CH₂CHO

Vinyloxy radical

ch2cho

755

CH₂COH⁺

ketene, protonated

ch2coh+

756

CH₃CO

Acetyl radical

ch3co

757

CH₃CO^-

Acetyl anion

ch3co-

758

CH₃CO⁺

acetyl cation

ch3co+

759

CH₂NOH

formaldoxime

ch2noh

760

CHONH₂

formamide

761

CNOH₃

1,2-oxaziridine

cnoh3

762

HOCHNH

hydroxymethylimine

hochnh

763

CHSNH₂

thioformamide

chsnh2

764

NHCHSH

Methanimidothioic acid

nhchsh

765

CH₂OOH

CH2OOH radical

ch2ooh

766

CH₃OO

methylperoxy radical

ch3oo

767

CH₃OO^-

methylperoxy anion

ch3oo-

768

CH₃OO⁺

methylperoxy cation

ch3oo+

769

C₂H₄O

Ethylene oxide

c2h4o

770

C₂H₄O⁺

ethylene oxide cation

c2h4o+

771

CH₂CHOH

ethenol

ch2choh

772

CH₃CHO

Acetaldehyde

ch3cho

773

CH₃CHO⁺

acetaldehyde cation

ch3cho+

774

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

775

C₂H₄S

Thiirane

thiirane

776

CH₂CHSH

Ethenethiol

ch2chsh

777

CH₃CHS

Thioacetaldehyde

ch3chs

778

H₂CONH₂⁺

protonated formamide

h2conh2+

779

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

780

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

781

CH₂(OH)₂

methanediol

ch2o2h2

782

CH₃OOH

Methyl peroxide

ch3ooh

783

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

784

HSCH₂SH

Methanedithiol

ch4s2

785

H₂OH₂CO

water formaldehyde dimer

h2oh2co

786

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

787

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

788

CH₃CH₂O

Ethoxy radical

ethoxy

789

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

790

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

791

CH₃OCH₂

methoxymethyl radical

ch3och2

792

NH₂CH₂OH

aminomethanol

nh2ch2oh

793

CH₃CH₂OH

Ethanol

etoh

794

CH₃OCH₃

Dimethyl ether

meome

795

CH₃CH₂SH

ethanethiol

etsh

796

CH₃SCH₃

Dimethyl sulfide

mesme

797

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

798

CH₃SeCH₃

dimethylselenide

dmse

799

CH₃OHH₂O

methanol water dimer

ch3ohh2o

800

H₂OCH₃OH

water methanol dimer

h2och3oh

801

ZnF₂

Zinc difluoride

znf2

802

FCN

Cyanogen fluoride

fcn

803

ClCN

chlorocyanogen

clcn

804

BrCN

Cyanogen bromide

brcn

805

ICN

Cyanogen iodide

icn

806

FBO

Boron monofluoride monoxide

fbo

807

BeF₂

Beryllium fluoride

bef2

808

MgF₂

Magnesium fluoride

mgf2

809

BeCl₂

Beryllium chloride

becl2

810

MgCl₂

Magnesium dichloride

mgcl2

811

CaCl₂

Calcium Chloride

cacl2

812

ZnCl₂

Zinc dichloride

zncl2

813

BeBr₂

Beryllium bromide

bebr2

814

CaBr₂

Calcium dibromide

cabr2

815

CaF₂

Calcium difluoride

caf2

816

BF₂

Boron difluoride radical

bf2

817

FNO

Nitrosyl fluoride

fno

818

ClNO

Nitrosyl chloride

clno

819

FNS

Thionitrosyl fluoride

fns

820

OPCl

Phosphorus oxychloride

opcl

821

BrNO

Nitrosyl bromide

brno

822

INO

Nitrosyl iodide

ino

823

CF₂^-

Difluoromethylene anion

cf2-

824

CF₂⁺

Difluoromethylene cation

cf2+

825

SiF₂

Silicon difluoride

sif2

826

SiF₂⁺

Silicon difluoride cation

sif2+

827

CCl₂

dichloromethylene

ccl2

828

CCl₂^-

dichloromethylene anion

ccl2-

829

CCl₂⁺

dichloromethylene cation

ccl2+

830

SiCl₂

Dichlorosilylene

sicl2

831

GeF₂

Germanium difluoride

gef2

832

GeCl₂

Germanium dichloride

gecl2

833

CBr₂

dibromomethylene

cbr2

834

FOO

Dioxygen monofluoride radical

foo

835

FOO⁺

Fluorine dioxide cation

foo+

836

ClOO

chloroperoxy radical

cloo

837

ClOO⁺

chloroperoxy cation

cloo+

838

OClO

Chlorine dioxide

oclo

839

OClO⁺

Chlorine dioxide cation

oclo+

840

ClSO

Sulfur chloride oxide

clso

841

ClS₂

Sulfur chloride

cls2

842

BrOO

Bromine dioxide

broo

843

OBrO

Bromine dioxide radical

obro

844

NF₂

Difluoroamino radical

nf2

845

NF₂⁺

Difluoroamino cation

nf2+

846

PF₂

Phosphorus difluoride

pf2

847

PF₂⁺

Phosphorus difluoride cation

pf2+

848

FClO

chlorosyl fluoride

fclo

849

F₂O

Difluorine monoxide

f2o

850

ClOF

Chlorine hypofluorite

clof

851

SF₂

sulfur difluoride

sf2

852

SF₂^-

sulfur difluoride anion

sf2-

853

SF₂⁺

sulfur difluoride cation

sf2+

854

Cl₂O

Dichlorine monoxide

cl2o

855

SCl₂

Sulfur dichloride

scl2

856

SeF₂

Selenium difluoride

sef2

857

BrOCl

Bromine hypochlorite

brocl

858

SeCl₂

Selenium Dichloride

secl2

859

SBr₂

Sulfur dibromide

sbr2

860

SeBr₂

Selenium dibromide

sebr2

861

BrOBr

Bromine oxide

brobr

862

F₃^-

trifluoride anion

f3-

863

Cl₃^-

trichloride anion

cl3-

864

Br₃^-

tribromide anion

br3-

865

I₃^-

triiodide

i3-

866

SFCl

Sulfur chloride fluoride

sfcl

867

HCCF

Fluoroacetylene

hccf

868

HCCF⁺

fluoroacetylene cation

hccf+

869

HCCCl

Chloroacetylene

hcccl

870

HCCBr

bromoacetylene

hccbr

871

HFCO

formyl fluoride

hfco

872

COHCl

Formyl chloride

cohcl

873

COHBr

Formyl bromide

cohbr

874

BHF₂

Difluoroborane

bhf2

875

BHCl₂

Borane, dichloro-

bhcl2

876

CHCl₂

dichloromethyl radical

chcl2

877

CHF₂

difluoromethyl radical

chf2

878

CHF₂⁺

difluoromethyl cation

chf2+

879

CHFCl

Chlorofluoromethyl radical

chfcl

880

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

881

CHCl₂⁺

dichloromethyl cation

chcl2+

882

CHBr₂

dibromomethyl radical

chbr2

883

HOClO

Chlorous acid

hoclo

884

NHF₂

difluoramine

nhf2

885

NHCl₂

dichloroamine

nhcl2

886

CH₂F₂

Methane, difluoro-

ch2f2

887

CH₂FCl

fluorochloromethane

ch2fcl

888

SiH₂F₂

difluorosilane

sih2f2

889

CH₂Cl₂

Methylene chloride

ch2cl2

890

CH₂BrF

Methane, bromofluoro-

ch2fbr

891

CH₂BrCl

Methane, bromochloro-

ch2clbr

892

CH₂FI

fluoroiodomethane

ch2fi

893

CH₂Br₂

dibromomethane

ch2br2

894

CH₂ClI

chloroiodomethane

ch2cli

895

CH₂BrI

bromoiodomethane

ch2bri

896

CH₂I₂

Diiodomethane

ch2i2

897

SiH₂Cl₂

dichlorosilane

sih2cl2

898

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

899

CH₂CHF

Ethene, fluoro-

ch2chf

900

CH₂CHF⁺

fluoroethene cation

ch2chf+

901

C₂H₃Cl

Ethene, chloro-

ch2chcl

902

C₂H₃Br

vinyl bromide

c2h3br

903

C₂H₃I

Vinyl iodide

c2h3i

904

CH₂FOH

fluoromethanol

ch2foh

905

CH₃OCl

methyl hypochlorite

ch3ocl

906

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

907

CHClCH₃

1-chloroethyl radical

chclch3

908

C₂H₅F

fluoroethane

c2h5f

909

CH₃CH₂Cl

Ethyl chloride

c2h5cl

910

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

911

C₂H₅Br

Ethyl bromide

etbr

912

C₂H₅I

Ethyl iodide

c2h5i

913

KrF₂

Krypton difluoride

krf2

914

XeF₂

Xenon difluoride

xef2

915

B₄H₁₀

Tetraborane(10)

b4h10

916

C₄

Carbon tetramer

917

C₄⁺

Carbon tetramer cation

c4+

918

C₄H₂

Diacetylene

c4h2

919

C₄H₂⁺

diacetlyene cation

c4h2+

920

C₂H₃CCH

1-Buten-3-yne

c2h3cch

921

C₄H₄

cyclobutadiene

cbd

922

C₄H₄

Tetrahedrane

c4h4

923

H₂CCCCH₂

Butatriene

h2cccch2

924

C₄H₆

1-Methylcyclopropene

c3100047

925

C₄H₆

Cyclobutene

c822355

926

C₄H₆

Methylenecyclopropane

c6142730

927

CH₂CCHCH₃

1,2-Butadiene

butad12

928

CH₂CHCHCH₂

1,3-Butadiene

c106990

929

CH₃CCCH₃

2-Butyne

c503173

930

CHCCH₂CH₃

1-Butyne

c107006

931

CH₃CHCHCH₂

methylallyl radical

c4h7

932

C₄H₈

methylcyclopropane

mcp

933

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

934

CH₂CHCH₂CH₃

1-Butene

bute1

935

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

936

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

937

B(CH₃)₃

trimethylborane

bme3

938

Al(CH₃)₃

trimethyl aluminum

tma

939

C(CH₃)₃

Tert-butyl radical

tbutyl

940

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

941

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

942

CH₃CH(CH₃)CH₃

Isobutane

isobutane

943

CH₃CH₂CH₂CH₃

Butane

butane

944

SiH(CH₃)₃

trimethylsilane

trimsi

945

C₂N₂

Cyanogen

c2n2

946

C₂N₂⁺

Cyanogen cation

c2n2+

947

P₄

Phosphorus tetramer

948

As₄

Arsenic tetramer

as4

949

HCCCN

Cyanoacetylene

hcccn

950

HCCCN⁺

Cyanoacetylene cation

hcccn+

951

H₂CNCN

cyanamide, methylene

ch2ncn

952

HNCCNH

Ethenediimine

hnccnh

953

C₃H₃N

acrylonitrile

ch2chcn

954

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

955

CH₃N₃

methyl azide

ch3n3

956

NH₂CCNH₂

Diaminoacetylene

daa

957

NH₂CH₂CN

Aminoacetonitrile

aan

958

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

959

C₂H₅CN

ethyl cyanide

c2h5cn

960

CH₅N₃

Guanidine

guanidine

961

C₄H₆

Bicyclo[1.1.0]butane

c157335

962

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

963

H₂NCHCHNH₂

diaminoethylene

dae

964

CH₆N₃⁺

guanidinium

ch6n3+

965

C₃H₇N

Cyclopropylamine

cpram

966

CH₇N₃

triaminomethane

tam

967

C₃H₇N

Azetidine

azet

968

C₂H₈N₂

Ethylenediamine

ethdiam

969

CH₃NHNHCH₃

dimethyl hydrazine

dmh

970

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

971

N(CH₃)₃

Trimethylamine

trimeam

972

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

973

P(CH₃)₃

trimethylphosphine

tmp

974

N(SiH₃)₃

trisilylamine

tsa

975

As(CH₃)₃

trimethyl arsine

tmas

976

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

977

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

978

Li₂O₂

dilithium dioxide

li2o2

979

Na₂O₂

disodium dioxide

na2o2

980

K₂O₂

dipotassium dioxide

k2o2

981

B₂O₂

Diboron dioxide

b2o2

982

S₂N₂

Disulfur dinitride

s2n2

983

CO₃

Carbon trioxide

co3

984

CO₃^--

carbonate

co3--

985

CS₃^--

Carbonotrithioate

cs3--

986

NO₃

Nitrogen trioxide

no3

987

NO₃^-

nitrate anion

no3-

988

NO₃⁺

nitrogen trioxide cation

no3+

989

SO₃

Sulfur trioxide

so3

990

SO₃^-

Sulfur trioxide anion

so3-

991

SO₃^--

Sulfate dianion

so3--

992

SO₃⁺

Sulfur trioxide cation

so3+

993

SeO₃

selenium trioxide

seo3

994

S₄

Sulfur tetramer

995

TeO₃

Tellurium trioxide

teo3

996

HCO₃^-

bicarbonate anion

hco3-

997

HNO₃

Nitric acid

hno3

998

HSO₃

Hydroxysulfonyl radical

hso3

999

NH₂NO₂

nitramide

nh2no2

1000

C₂H₂CO

cyclopropenone

c2h2co

1001

C₃H₂O

Propadienal

c3h2o

1002

HCCCHO

2-propynal

hcccho

1003

C₂H₂O₂

Ethanedial

c2h2o2

1004

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

1005

H₂CO₃

Carbonic acid

h2co3

1006

H₂CS₃

thiocarbonic acid

h2cs3

1007

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

1008

H₂SO₃

Sulfurous acid

h2so3

1009

C₂H₃NO

Nitrosoethylene

c2h3no

1010

CH₃NCO

methylisocyante

ch3nco

1011

HOCH₂CN

cyanomethanol

hoch2cn

1012

CH₃COO^-

acetate anion

ch3coo-

1013

CH₃NO₂

Methane, nitro-

ch3no2

1014

CH₃ONO

Methyl nitrite

ch3ono

1015

H₃BO₃

Boric acid

h3bo3

1016

H₃AlO₃

Aluminum hydroxide

h3alo3

1017

H₃CO₃⁺

carbonic acid, protonated

h3co3+

1018

C₃H₄O

2-Propyn-1-ol

c107197

1019

C₃H₄O

allenol

c9000071

1020

C₃H₄O

Cyclopropanone

cpone

1021

C₃H₄O

Methylketene

c6004440

1022

CH₂CHCHO

Acrolein

c3h4o

1023

NH₂CONH₂⁺

Urea cation

urea+

1024

NH₂CSNH₂

Thiourea

thiourea

1025

C₂H₄O₂

1,3-dioxetane

c2h4o2

1026

CH₃COOH

Acetic acid

ch3cooh

1027

CH₃OCHO

methyl formate

ch3ocho

1028

CHOCH₂OH

hydroxy acetaldehyde

haa

1029

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

1030

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

1031

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

1032

HCOOHH₂O

Formic acid water dimer

hcoohh2o

1033

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

1034

CH₃COCH₂

Acetonyl radical

ch3coch2

1035

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

1036

CH₃C(OH)=NH

Ethaninidic acid

eia

1037

CH₃CHNOH

Acetaldoxime

acetaldoxime

1038

CH₃CONH₂

Acetamide

acetamide

1039

HCONHCH₃

N-methylformamide

nmfa

1040

CH₃CSNH₂

Ethanethioamide

ch3csnh2

1041

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

1042

H₂NCOHNH₂⁺

urea, protonated

ureah+

1043

C₂H₅OO

ethylperoxy radical

c2h5oo

1044

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1045

C₃H₅OH

Cyclopropanol

cproh

1046

C₃H₆O

2-Propen-1-ol

c107186

1047

C₃H₆O

Acetone enol

enol

1048

C₃H₆O

Propylene oxide

prox

1049

CH₃CH₂CHO

Propanal

propanal

1050

CH₃COCH₃

Acetone

acetone

1051

CH₃COCH₃^-

acetone anion

ch3coch3-

1052

C₃H₆S

Thietane

thietane

1053

C₃H₆S

Thiirane, methyl-

methiirane

1054

CH₃CSCH₃

Thioacetone

ch3csch3

1055

C₂H₆O₂

1,2-Ethanediol

ethdiol

1056

CH₃OOCH₃

dimethylperoxide

dmp

1057

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1058

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1059

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1060

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1061

HOCH₂CH₂NH₂

monoethanolamine

mea

1062

C₃H₇OH

1-Propanol

proh

1063

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1064

CH₃OC₂H₅

Ethane, methoxy-

etome

1065

C₃H₇SH

1-Propanethiol

prsh

1066

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1067

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1068

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1069

Li₂F₂

Lithium fluoride dimer

li2f2

1070

Na₂F₂

Sodium Fluoride Dimer

na2f2

1071

Na₂Cl₂

Disodium dichloride

na2cl2

1072

C₂F₂

difluoroacetylene

c2f2

1073

C₂Cl₂

dichloroacetylene

c2cl2

1074

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1075

FNO₂

Nitryl fluoride

fno2

1076

FONO

Nitrosyl hypofluorite

fono

1077

ClNO₂

Nitryl chloride

clno2

1078

ClONO

chlorine nitrite

clono

1079

BrONO

Bromine nitrite

brono

1080

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1081

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1082

CF₂O

Carbonic difluoride

f2co

1083

CF₂O⁺

Carbonic difluoride cation

f2co+

1084

COFCl

Carbonic chloride fluoride

cofcl

1085

CCl₂O

Phosgene

cl2co

1086

Cl₂CS

Thiophosgene

cl2cs

1087

COBr₂

Carbonic dibromide

cobr2

1088

BF₃

Borane, trifluoro-

bf3

1089

BF₃^-

Borane, trifluoro- anion

bf3-

1090

BF₃⁺

boron trifluoride cation

bf3+

1091

AlF₃

Aluminum trifluoride

alf3

1092

BClF₂

Chlorodifluoroborane

bclf2

1093

AlF₂Cl

Aluminum chloride difluoride

alclf2

1094

ScF₃

Scandium trifluoride

ScF3

1095

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1096

BCl₃

Borane, trichloro-

bcl3

1097

BCl₃⁺

Boron Trichloride cation

bcl3+

1098

GaF₃

Gallium trifluoride

gaf3

1099

AlCl₃

Aluminum trichloride

alcl3

1100

GaCl₃

Gallium trichloride

gacl3

1101

BBr₃

Boron tribromide

bbr3

1102

AlBr₃

Aluminum Bromide

albr3

1103

ClO₃

Chlorine trioxide

clo3

1104

ClO₃^-

chlorate anion

clo3-

1105

BrO₃^-

Bromate anion

bro3-

1106

CF₃

Trifluoromethyl radical

cf3

1107

CF₃^-

Trifluoromethyl anion

cf3-

1108

CF₃⁺

Trifluoromethyl cation

cf3+

1109

CF₂Cl

difluorochloromethyl radical

cf2cl

1110

SiF₃

Silicon trifluoride radical

sif3

1111

SiF₃⁺

Silicon trifluoride cation

sif3+

1112

CFCl₂

dichlorofluoromethyl radical

cfcl2

1113

CCl₃

Trichloromethyl radical

ccl3

1114

CCl₃^-

Trichloromethyl anion

ccl3-

1115

CCl₃⁺

Trichloromethyl cation

ccl3+

1116

SiCl₃

trichlorosilyl radical

sicl3

1117

SiCl₃⁺

trichlorosilyl cation

sicl3+

1118

CBr₃

tribromomethyl radical

cbr3

1119

FOOF

Perfluoroperoxide

foof

1120

ClO₂F

Chloryl fluoride

clo2f

1121

F₂SO

Thionyl Fluoride

f2so

1122

ClOOCl

Dichlorine dioxide

cloocl

1123

FSSF

Difluorodisulfane

fssf

1124

S₂F₂

Thio-thionyl fluoride

s2f2

1125

SOCl₂

thionyl chloride

socl2

1126

SSCl₂

Thiothionyl chloride

sscl2

1127

SeOCl₂

selenium oxychloride

seocl2

1128

NF₃

Nitrogen trifluoride

nf3

1129

NF₃^-

Nitrogen trifluoride anion

nf3-

1130

NF₃⁺

Nitrogen trifluoride cation

nf3+

1131

PF₃

Phosphorus trifluoride

pf3

1132

NCl₃

nitrogen trichloride

ncl3

1133

AsF₃

Arsenic trifluoride

asf3

1134

PCl₃

Phosphorus trichloride

pcl3

1135

SbF₃

Antimony Trifluoride

sbf3

1136

AsCl₃

Arsenous trichloride

ascl3

1137

SbCl₃

Antimony Trichloride

sbcl3

1138

PBr₃

Phosphorus tribromide

pbr3

1139

AsBr₃

Arsenic tribromide

asbr3

1140

NI₃

Nitrogen triiodide

ni3

1141

PI₃

Phosphorus triiodide

pi3

1142

ClSSCl

Disulfur dichloride

s2cl2

1143

SF₃

Sulfur trifluoride

sf3

1144

ClF₃

Chlorine trifluoride

clf3

1145

BrF₃

Bromine trifluoride

brf3

1146

IF₃

iodone trifluoride

if3

1147

HClO₃

Chloric Acid

hclo3

1148

CHF₃

Methane, trifluoro-

chf3

1149

CHF₂Cl

difluorochloromethane

chf2cl

1150

SiHF₃

trifluorosilane

sihf3

1151

CHFCl₂

fluorodichloromethane

chfcl2

1152

CDCl₃

trichloromethane-d

cdcl3

1153

CHCl₃

Chloroform

chcl3

1154

CHBrF₂

Methane, bromodifluoro-

chbrf2

1155

SiHCl₃

Trichlorosilane

sihcl3

1156

CHFClBr

fluorochlorobromomethane

chfclbr

1157

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1158

CHF₂I

difluoroiodomethane

chf2i

1159

CHBr₂F

dibromofluoromethane

chbr2f

1160

CHFClI

fluorochloroiodomethane

chfcli

1161

CHCl₂I

dichloroiodomethane

chcl2i

1162

CHClBr₂

Methane, dibromochloro-

chclbr2

1163

CHBr₃

bromoform

chbr3

1164

CHI₃

Iodoform

chi3

1165

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1166

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1167

C₂H₂F₂

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

c2h2f2e

1168

C₂H₂F₂

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

c2h2f2z

1169

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1170

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1171

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1172

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1173

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1174

CHClCHCl

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

chclchcle

1175

CHClCHCl

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

chclchclz

1176

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1177

CHBrCHBr

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

chbrchbre

1178

CHBrCHBr

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

chbrchbrz

1179

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1180

CH₃COF

Acetyl fluoride

ch3cof

1181

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1182

CH₃COCl

Acetyl Chloride

ch3cocl

1183

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1184

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1185

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1186

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1187

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1188

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1189

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1190

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1191

CH₂CFCH₃

2-fluoropropene

2fpro

1192

CH₂CHCH₂F

Allyl Fluoride

allylf

1193

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1194

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1195

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1196

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1197

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1198

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1199

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1200

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1201

CH₃CHFCH₃

2-Fluoropropane

prf2

1202

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1203

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1204

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1205

CH₃CHBrCH₃

i-propyl bromide

iprbr

1206

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1207

B₅H₉

pentaborane9

b5h9

1208

C₅H₄

pentatetraene

ptrene

1209

C₅H₅

cyclopentadienyl radical

c5h5

1210

C₅H₅^-

cylopentadienyl anion

c5h5-

1211

C₅H₆

1,3-Cyclopentadiene

c542927

1212

C₅H₆

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

c78808

1213

C₅H₆

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

c2004695

1214

C₅H₆

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

c1574409

1215

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1216

C₅H₆

Cyclopropylacetylene

c6746947

1217

C₅H₆

Propellane

propellane

1218

C₅H₇

1,3-pentadienyl radical

pdyl

1219

C₅H₇

cyclopentenyl radical

cpyl

1220

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1221

C₅H₈

1,2-Pentadiene

c591957

1222

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1223

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1224

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1225

C₅H₈

1,4-Pentadiene

c591935

1226

C₅H₈

1-pentyne

a1pentyne

1227

C₅H₈

2,3-Pentadiene

c591968

1228

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1229

C₅H₈

Cyclobutane, methylene-

c1120565

1230

C₅H₈

Cyclopentene

c142290

1231

C₅H₈

Ethenylcyclopropane

c693867

1232

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1233

C₅H₁₀

1-Butene, 2-methyl-

c563462

1234

C₅H₁₀

2-Butene, 2-methyl-

c513359

1235

C₅H₁₀

2-Pentene, (E)-

c646048

1236

C₅H₁₀

2-Pentene, (Z)-

c627203

1237

C₅H₁₀

Cyclopentane

c287923

1238

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1239

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1240

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1241

C₅H₁₂

Butane, 2-methyl-

buta2

1242

C₅H₁₂

Pentane

pentane

1243

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1244

Si(CH₃)₄

tetramethylsilane

tms

1245

N₂O₃

Dinitrogen trioxide

n2o3

1246

C₃H₂N₂

Malononitrile

c3h2n2

1247

CH₂N₄

1H-Tetrazole

1htz

1248

C₃H₃N₂

imidazolyl radical

1249

C₃H₃N₂^-

imidizolyl anion

im-

1250

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1251

C₄H₄N

pyrrolide radical

c4h4n

1252

C₄H₄N^-

pyrrolide anion

c4h4n-

1253

C₃H₄N₂

1H-Imidazole

1himidaz

1254

C₃H₄N₂

1H-Pyrazole

1hpyraz

1255

C₃H₄N₂

2H-Imidazole

imid2h

1256

C₃H₄N₂

4H-Imidazole

imid4h

1257

C₄H₅N

(E)-2-Butenenitrile

c627269

1258

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1259

C₄H₅N

2H-pyrrole

pyrrole2

1260

C₄H₅N

3H-pyrrole

pyrrole3

1261

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1262

C₄H₅N

Pyrrole

pyrrole

1263

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1264

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1265

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1266

C₄H₆N⁺

pyrrole, protonated

ppyr

1267

C₃H₆N₂

3-Aminopropionitrile

c151188

1268

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1269

CH₃CH₂CH₂CN

Butanenitrile

c109740

1270

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1271

C₅H₈

Spiropentane

c157404

1272

C₄H₉N

Cyclobutylamine

cbam

1273

C₄H₉N

Pyrrolidine

pyrrolidine

1274

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1275

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1276

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1277

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1278

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1279

NH(C₂H₅)₂

diethylamine

dea

1280

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1281

C₃O₂

Carbon suboxide

c3o2

1282

C₃O₂⁺

Carbon suboxide cation

c3o2+

1283

B₂O₃

diboron trioxide

b2o3

1284

MgCO₃

Magnesium Carbonate

mgco3

1285

BeCO₃

Beryllium Carbonate

beco3

1286

CaCO₃

Calcium Carbonate

caco3

1287

ONONO

Nitrosyl nitrite

onono

1288

PO₄^---

phosphate

po4---

1289

SO₄^--

sulfate

so4--

1290

HOONO₂

peroxy nitric acid

hoono2

1291

HSO₄^-

bisulfate anion

hso4-

1292

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1293

C₃H₂O₂

Propiolic acid

c3h2o2

1294

CHOCOOH

oxo acetic acid

oaa

1295

CHOOCHO

diformyl ether

choocho

1296

H₂SO₄

Sulfuric acid

h2so4

1297

H₂SeO₄

Selenic acid

h2seo4

1298

C₃H₃NO

Isoxazole

isox

1299

C₃H₃NO

Oxazole

oxazole

1300

C₃H₃NS

Thiazole

thiazole

1301

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1302

CH₃NO₃

Methyl nitrate

ch3no3

1303

H₃PO₄

Phosphoric Acid

h3po4

1304

C₄H₄O

Furan

furan

1305

C₄H₄O⁺

Furan cation

furan+

1306

CH₃COCCH

3-butyn-2-one

c1423605

1307

C₄H₄S

Thiophene

furans

1308

C₄H₄Se

selenophene

c4h4se

1309

C₃H₄O₂

β–Propiolactone

beta

1310

C₃H₄O₂

2-Propenoic acid

propenoic2

1311

C₃H₄O₂

Methyl glyoxal

megly

1312

C₃H₄O₂

propanedial

1313

C₃H₄O₂

propenalol

1314

HOCHCCHOH

allenediol

aldiol

1315

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1316

C₂H₄O₃

trioxolane124

triox

1317

HOCH₂COOH

Hydroxyacetic acid

hac

1318

CH₂CHCONH₂

Acrylamide

c79061

1319

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1320

CH₅N₃S

Hydrazinecarbothioamide

c79196

1321

H₂NCH₂COOH

Glycine

glycine

1322

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1323

C₄H₆O

cis-2-butenal

butenal2c

1324

C₄H₆O

Cyclobutanone

cbutone

1325

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1326

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1327

CH₂CHOCHCH₂

Vinyl ether

vinylether

1328

CHOCHCHCH₃

2-Butenal

butenal2

1329

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1330

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1331

CH₂CHSCHCH₂

Divinyl sulfide

divis

1332

C₂H₆N₂O

Urea, methyl-

c598505

1333

C₃H₆O₂

1,3-Dioxolane

dioxolane

1334

CH₃CH₂COOH

Propanoic Acid

propanoic

1335

CH₃COOCH₃

methyl acetate

aame

1336

HCOOC₂H₅

Ethyl formate

faee

1337

C₂H₆O₂S

Dimethyl sulfone

c67710

1338

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1339

C₃H₇NO

dimethylformamide

dmf

1340

C₃H₇NO

Propanamide

propanam

1341

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1342

C₄H₈O

Cyclobutanol

c2919235

1343

C₄H₈O

Furan, tetrahydro-

thf

1344

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1345

CH₃COCH₂CH₃

2-Butanone

buta2one

1346

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1347

CHOCH₂CH₂CH₃

Butanal

butanal

1348

C₄H₈S

Thiophene, tetrahydro-

tht

1349

C₃H₈O₂

1,3-Propanediol

c504632

1350

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1351

C₃H₈O₂

Methane, dimethoxy-

c109875

1352

C₃H₈O₂

Propylene glycol

c57556

1353

C₃H₈S₂

1,3-Propanedithiol

c109808

1354

C₄H₁₀O

1-Butanol

butanol1

1355

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1356

C₄H₁₀O

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

butanol2

1357

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1358

C₄H₁₀O

Ethoxy ethane

etoet

1359

C₄H₁₀O

Methyl propyl ether

meopr

1360

C₄H₁₀O

Propane, 2-methoxy-

c598538

1361

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1362

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1363

C₂H₅SC₂H₅

Diethyl sulfide

etset

1364

C₄H₉SH

1-Butanethiol

bush

1365

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1366

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1367

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1368

FNO₃

Fluorine nitrate

fno3

1369

ClONO₂

Chlorine nitrate

clono2

1370

TiCl₄

Titanium tetrachloride

ticl4

1371

ClO₄^-

perchlorate anion

clo4-

1372

BF₄^-

tetrafluoroboron anion

bf4-

1373

ClFO₃

Perchloryl fluoride

clfo3

1374

SO₂F₂

Sulfuryl fluoride

so2f2

1375

SO₂Cl₂

Sulfuryl chloride

so2cl2

1376

F₃NO

Nitrogen trifluoride oxide

f3no

1377

F₃PO

Phosphoryl fluoride

pf3o

1378

Cl₃PO

Phosphoryl chloride

pcl3o

1379

CF₄

Carbon tetrafluoride

cf4

1380

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1381

SiF₄

Silicon tetrafluoride

sif4

1382

CF₂Cl₂

difluorodichloromethane

cf2cl2

1383

CFCl₃

Trichloromonofluoromethane

cfcl3

1384

CF₃Br

Bromotrifluoromethane

cf3br

1385

GeF₄

Germanium tetrafluoride

gef4

1386

CCl₄

Carbon tetrachloride

ccl4

1387

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1388

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1389

SiCl₄

Silane, tetrachloro-

sicl4

1390

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1391

CF₃I

trifluoroiodomethane

cf3i

1392

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1393

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1394

GeCl₄

Germanium Tetrachloride

gecl4

1395

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1396

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1397

CCl₃I

trichloroiodomethane

ccl3i

1398

CFBr₃

fluorotribromomethane

cfbr3

1399

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1400

CBr₃Cl

tribromochloromethane

cbr3cl

1401

CF₂I₂

difluorodiiodomethane

cf2i2

1402

CBr₄

Carbon tetrabromide

cbr4

1403

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1404

SiBr₄

Silicon tetrabromide

sibr4

1405

CBr₃I

tribromoiododmethane

cbr3i

1406

GeBr₄

Germanium tetrabromide

gebr4

1407

CI₄

tetraiodomethane

ci4

1408

SiI₄

silicon tetraiodide

sii4

1409

ClOF₃

Chlorine trifluoride oxide

clof3

1410

SF₄

Sulfur tetrafluoride

sf4

1411

SeF₄

Selenium tetrafluoride

sef4

1412

SCl₄

Sulfur tetrachloride

scl4

1413

C₂HF₃

Trifluoroethylene

c2hf3

1414

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1415

CHClCCl₂

Trichloroethylene

chclccl2

1416

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1417

HClO₄

perchloric acid

hclo4

1418

HSO₃F

Fluorosulfonic acid

hso3f

1419

CF₃OH

trifluoromethanol

cf3oh

1420

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1421

CHClCCHCl

1,3-dichloroallene

chclcchcl

1422

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1423

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1424

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1425

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1426

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1427

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1428

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1429

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1430

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1431

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1432

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1433

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1434

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1435

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1436

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1437

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1438

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1439

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1440

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1441

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1442

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1443

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1444

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1445

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1446

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1447

CH₃CClCHCH₃

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

bute2cl2e

1448

CH₃CClCHCH₃

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

bute2cl2z

1449

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1450

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1451

C₄H₉F

1-fluorobutane

butaf1

1452

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1453

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1454

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1455

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1456

XeF₄

Xenon tetrafluoride

xef4

1457

C₂H₂N₂O

Furazan

furazan

1458

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1459

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1460

C₆H₂

hexatriyne

c6h2

1461

C₆H₄

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

c6h4e

1462

C₆H₄

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

c6h4z

1463

C₆H₄

Benzyne

benzyne

1464

C₆H₅

phenyl

1465

C₆H₅^-

phenyl anion

phenyl-

1466

C₆H₆

Prismane

prismane

1467

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1468

C₆H₆

2,4-Hexadiyne

hexadiyne

1469

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1470

C₆H₆

Benzene

benzene

1471

C₆H₆

Benzvalene

1472

C₆H₆

Dewar Benzene

dewar

1473

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1474

C₆H₆

Trimethylenecycopropane

tmcp

1475

C₆H₆⁺

Benzene cation

c6h6+

1476

C₆H₇⁺

benzene, protonated

c6h7+

1477

C₆H₈

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

c821078

1478

C₆H₈

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

c59660650

1479

C₆H₈

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

hexatri135

1480

C₆H₈

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

hetr234c

1481

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1482

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1483

C₆H₈

3-Methylenecyclopentene

c930267

1484

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1485

C₆H₈

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

c30830207

1486

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1487

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1488

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1489

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1490

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1491

C₆H₁₀

1,5-Hexadiene

c592427

1492

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1493

C₆H₁₀

1-Hexyne

hexyne1

1494

C₆H₁₀

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

hexdi24ee

1495

C₆H₁₀

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

hexdi24ez

1496

C₆H₁₀

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

hexdi24zz

1497

C₆H₁₀

2-Hexyne

c764352

1498

C₆H₁₀

3-Hexyne

hexyne3

1499

C₆H₁₀

cyclohexene

1500

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1501

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1502

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1503

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1504

C₆H₁₂

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

dmcb12t

1505

C₆H₁₂

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

dmcb13t

1506

C₆H₁₂

(E)-2-Hexene

e2hexene

1507

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1508

C₆H₁₂

(E)-hex-3-ene

e3hexene

1509

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1510

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1511

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1512

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1513

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1514

C₆H₁₂

3-methylenepentane

c760214

1515

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1516

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1517

C₆H₁₂

Cyclohexane

cyclohexane

1518

C₆H₁₂

Cyclopentane, methyl-

c96377

1519

C₆H₁₂

Ethylcyclobutane

c4806615

1520

C₆H₁₂

hex-1-ene

hexene1

1521

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1522

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1523

C₆H₁₄

Hexane

hexane

1524

C₆H₁₄

Pentane, 2-methyl-

penta2

1525

C₆H₁₄

Pentane, 3-methyl-

penta3

1526

C₄N₂

2-Butynedinitrile

c4n2

1527

N₃P₃

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

n3p3

1528

C₄H₂N₂

Fumaronitrile

c4h2n2

1529

C₂H₂N₄

sym-tetrazine

ttz

1530

C₃H₃N₃

1,3,5-Triazine

triazine135

1531

CH₃N₅

5-Aminotetrazole

c4418615

1532

C₄H₄N₂

1,3-Diazine

diazine13

1533

C₄H₄N₂

Pyrazine

pyrazine

1534

C₄H₄N₂

Pyridazine

pyridazine

1535

C₄H₄N₂

Succinonitrile

c110612

1536

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1537

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1538

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1539

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1540

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1541

C₅H₅N

Pyridine

pyridine

1542

B₃N₃H₆

borazine

1543

C₆H₆

Fulvene

fulvene

1544

C₅H₆N⁺

Pyridinium

c5h6n

1545

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1546

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1547

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1548

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1549

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1550

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1551

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1552

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1553

C₅H₉N

Pentanenitrile

c110598

1554

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1555

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1556

C₅H₁₁N

Cyclopentanamine

cypentam

1557

C₅H₁₁N

Piperidine

piper

1558

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1559

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1560

Li₂CO₃

Lithium Carbonate

li2co3

1561

Na₂CO₃

Sodium Carbonate

na2co3

1562

C₂O₄^--

oxalate anion

c2o4

1563

MgSO₄

Magnesium Sulfate

mgso4

1564

N₂O₄

Dinitrogen tetroxide

n2o4

1565

C₃H₂O₃

vinylene carbonate

vica

1566

C₂H₂O₄

Oxalic Acid

oxalic

1567

C₂H₃NO₃

Oxamic acid

oxamic

1568

C₄H₄O₂

2(5H)-Furanone

furanone

1569

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1570

C₂H₄N₂O₂

Oxalamide

oxalamide

1571

C₂H₄N₂S₂

Ethanedithioamide

c79403

1572

C₂H₄CO₃

Ethylene carbonate

etco3

1573

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1574

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1575

C₂H₄O₄

Formic acid dimer

fadimer

1576

C₄H₅NO

3-Methylisoxazole

isox3m

1577

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1578

C₄H₅NS

4-Methylthiazole

c693958

1579

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1580

C₅H₆O

2H-Pyran

pyran2

1581

C₅H₆O

2-methylfuran

furan2m

1582

C₅H₆O

3-Methylfuran

furan3m

1583

C₅H₆O

Pentadienal

pdal

1584

C₅H₆S

Thiophene, 2-methyl-

c554143

1585

C₅H₆S

Thiophene, 3-methyl-

c616444

1586

C₄H₆O₂

γ–Butyrolactone

c96480

1587

C₄H₆O₂

2,3-Butanedione

c431038

1588

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1589

C₄H₆O₂

Crotonic Acid

crot

1590

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1591

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1592

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1593

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1594

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1595

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1596

C₄H₆OS

Vinyl sulfoxide

c1115157

1597

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1598

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1599

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1600

C₃H₆O₃

1,3,5-Trioxane

trioxane

1601

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1602

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1603

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1604

C₄H₇NO

2-Pyrrolidinone

c616455

1605

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1606

C₄H₇NO

Methacrylamide

c79390

1607

C₄H₇NO

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

c1120645

1608

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1609

C₃H₇ONO

Propyl nitrite

prono

1610

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1611

CH₃CH(NH₂)COOH

Alanine

alanine

1612

CH₃NHCH₂COOH

Sarcosine

sarcosine

1613

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1614

NH₂COOC₂H₅

Urethane

urethane

1615

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1616

C₅H₈O

Cyclopentanone

c120923

1617

C₅H₈O

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

c1487156

1618

C₅H₈O

Methyl cyclopropyl ketone

c765435

1619

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1620

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1621

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1622

C₄H₈O₂

1,3-Dioxane

dioxan13

1623

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1624

C₄H₈O₂

1,4-Dioxane

dioxan14

1625

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1626

C₄H₈O₂

Ethyl acetate

c141786

1627

C₄H₈OS

s-Ethyl thioacetate

c625605

1628

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1629

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1630

C₄H₉NO

Butanamide

c541355

1631

C₄H₉NO

Propanamide, 2-methyl-

c563837

1632

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1633

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1634

C₅H₁₀O

2-methylbutyraldehyde

2meba

1635

C₅H₁₀O

2-Pentanone

mpk

1636

C₅H₁₀O

3-Pentanone

dek

1637

C₅H₁₀O

Cyclopentanol

c96413

1638

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1639

C₅H₁₀O

Pentanal

pal

1640

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1641

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1642

C₅H₁₀S

Cyclopentanethiol

c1679078

1643

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1644

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1645

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1646

C₄H₁₀O₂

1,3-Butanediol

budiol13

1647

C₄H₁₀O₂

1,4-Butanediol

budiol14

1648

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1649

C₄H₁₀OS

Diethyl sulfoxide

c70291

1650

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1651

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1652

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1653

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1654

C₅H₁₂O

1-Pentanol

pentanol1

1655

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1656

C₅H₁₂O

2-Pentanol

peol2

1657

C₅H₁₂O

3-Pentanol

pentan3ol

1658

C₅H₁₂O

Butane, 1-methoxy-

meobu

1659

C₅H₁₂O

Propane, 1-ethoxy-

proet

1660

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1661

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1662

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1663

C₅H₁₂S

1-Pentanethiol

c110667

1664

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1665

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1666

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1667

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1668

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1669

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1670

C₅H₁₂S

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

c6163640

1671

C₄F₂

difluorobutadiyne

c4f2

1672

ClCOClCO

Oxalyl chloride

oxcl

1673

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1674

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1675

B₂F₄

Diboron tetrafluoride

b2f4

1676

B₂Cl₄

Diboron tetrachloride

b2cl4

1677

C₂F₄

Tetrafluoroethylene

c2f4

1678

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1679

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1680

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1681

CFClCClF

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

cfclcclf

1682

CFClCFCl

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

cfclcfcl

1683

C₂FCl₃

fluorotrichloroethene

c2fcl3

1684

C₂Cl₄

Tetrachloroethylene

c2cl4

1685

C₂Br₄

tetrabromoethene

c2br4

1686

CF₃OF

Trifluoromethylhypofluorite

cf3of

1687

SiF₅^-

silicon pentafluoride anion

sif5-

1688

SOF₄

Sulfur tetrafluoride oxide

sof4

1689

PF₅

Phosphorus pentafluoride

pf5

1690

AsF₅

Arsenic pentafluoride

asf5

1691

PCl₅

Phosphorus pentachloride

pcl5

1692

SF₅

Sulfur pentafluoride

sf5

1693

SF₅⁺

pentafluoro sulfur cation

sf5+

1694

SbCl₅

Antimony pentachloride

sbcl5

1695

BrF₅

bromine pentafluoride

brf5

1696

ClF₅

chlorinepentafluoride

clf5

1697

IF₅

pentafluoroiodine

if5

1698

CF₃CHO

trifluoroacetaldehyde

cf3cho

1699

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1700

CHFClCHClF

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

chfclchclf

1701

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1702

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1703

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1704

CHFClCHFCl

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

chfclchfcl

1705

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1706

CHCl₂CHCl₂

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

chcl2chcl2

1707

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1708

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1709

CF₃COOH

trifluoroacetic acid

cf3cooh

1710

C₄H₃ClO

Furan, 2-chloro

fur2cl

1711

C₄H₃ClO

Furan,3-chloro

fur3cl

1712

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1713

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1714

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1715

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1716

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1717

C₄H₈Cl₂

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

c2211678

1718

C₄H₈Cl₂

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

c4028562

1719

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1720

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1721

C₄H₈O₂

Butanoic acid

bua

1722

C₆H₅CH₂

benzyl radical

benzyl

1723

C₇H₇

cycloheptatrienyl radical

c7h7

1724

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1725

C₆H₅CH₃

toluene

1726

C₇H₈

cycloheptatriene

cht

1727

C₇H₈

Norbornadiene

norbor

1728

C₇H₈

Quadricyclane

qucy

1729

C₇H₁₂

Norbornane

nor

1730

C₇H₁₄

cycloheptane

c7h14

1731

C₇H₁₆

2-methylhexane

2mhex

1732

C₇H₁₆

3-methylhexane

hex3m

1733

C₇H₁₆

heptane

1734

CH(CN)₃

tricyanomethane

mecn3

1735

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1736

C₆H₇N

2-Methylpyridine

1737

C₆H₅NH₂

aniline

1738

C₆H₁₃N

2-Methylpiperidine

pip2m

1739

C₆H₁₃N

cyclohexanamine

cham

1740

C₆H₁₅N

triethylamine

tea

1741

N₂O₅

Dinitrogen pentoxide

n2o5

1742

C₄H₂O₃

Maleic Anhydride

malan

1743

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1744

C₅H₄O₂

furfural

1745

C₆H₅O

phenoxy radical

phenoxy

1746

C₅H₅NO

2(1H)-Pyridinone

c72762006

1747

C₅H₅NO

2(3H)-Pyridinone

c9000048

1748

C₅H₅NO

2(5H)-Pyridinone

c9000037

1749

C₅H₅NO

2-Pyridinol

c109104

1750

C₅H₅NO

3(2H)-Pyridinone

c9000004

1751

C₅H₅NO

3(4H)-Pyridinone

c9000026

1752

C₅H₅NO

3(6H)-Pyridinone

c9000015

1753

C₅H₅NO

3-Pyridinol

c109002

1754

C₅H₅NO

4(1H)-Pryidinone

c9000060

1755

C₅H₅NO

4(3H)-Pryidinone

c9000059

1756

C₅H₅NO

4-Pyridinol

c626642

1757

C₆H₅OH

phenol

1758

C₆H₆O

2,4-Cyclohexadienone

c24599573

1759

C₆H₆O

2,5-Cyclohexadienone

c5664335

1760

C₆H₅SH

Benzenethiol

phsh

1761

HO₂CCHNH₂CH₂OH

Serine

serine

1762

C₅H₈O₂

Acetylacetone

acac

1763

C₄H₈O₂S

Sulfolane

sulfolane

1764

C₇H₁₀

Norbornene

norbornene

1765

CH(C₂H₃)₃

trivinyl methane

tvm

1766

C₆H₁₀O

cyclohexanone

chexo

1767

C₆H₁₂O

hexanal

c6h12o

1768

C₆H₁₂O

Oxepane

oxepane

1769

C₃H₇OC₃H₇

di-n-propyl ether

propr

1770

F₂CCCF₂

tetrafluoroallene

pfa

1771

CF₃COO^-

trifluoro acetate anion

cf3coo-

1772

CF₃COF

trifluoroacetyl fluoride

cf3cof

1773

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1774

PF₆

Hexafluorophosphate neutral

pf6

1775

SF₆

Sulfur Hexafluoride

sf6

1776

SeF₆

Selenium hexafluoride

sef6

1777

SF₅Cl

sulfur chloropentafluoride

sf5cl

1778

CF₃CHF₂

pentafluoroethane

cf3chf2

1779

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1780

CF₃CHCl₂

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

cf3chcl2

1781

CHCl₂CClF₂

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

chcl2cclf2

1782

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1783

C₆H₅F

Fluorobenzene

bzf

1784

C₆H₅Cl

chlorobenzene

bzcl

1785

C₆H₅Br

bromobenzene

bzbr

1786

C₈H₆

Calicene

calicene

1787

C₆H₅CCH

phenylacetylene

phac

1788

C₈H₆

benzocyclobutadiene

bcbd

1789

C₈H₆

Pentalene

pentalene

1790

C₆H₅CHCH₂

Styrene

styrene

1791

C₈H₈

cubane

1792

C₈H₈

cyclooctatetraene

cot

1793

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1794

CH₃C₆H₄CH₃

meta-xylene

mxylene

1795

CH₃C₆H₄CH₃

paraxylene

pxylene

1796

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1797

C₈H₁₆

cyclooctane

cyclooct

1798

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1799

C₈H₁₈

Octane

c8h18

1800

C₆H₅CN

phenyl cyanide

phcn

1801

C₆H₁₂N₂

Triethylenediamine

ted

1802

C₄O₄^--

squarate dianion

c4o4--

1803

S₄N₄

Tetrasulfur tetranitride

s4n4

1804

S₈

Octasulfur

1805

C₆H₄O₂

parabenzoquinone

pbq

1806

C₄H₄N₂O₂

Uracil

uracil

1807

C₆H₅CHO

benzaldehyde

benzal

1808

C₆H₅OCH₃

Anisole

anisole

1809

C₅H₉NO₂

Proline

proline

1810

C₆H₁₂O₂

Methyl pivalate

c598981

1811

C₆H₁₂O₂

Hexanoic acid

hexa

1812

C₄F₄

tetrafluorcyclobutadiene

c4f4

1813

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1814

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1815

CF₂ClCF₂Cl

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

cf2clcf2cl

1816

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1817

CF₂ClCFCl₂

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

cf2clcfcl2

1818

CF₃CCl₃

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

cf3ccl3

1819

C₂F₆

hexafluoroethane

c2f6

1820

C₂Cl₆

hexachloroethane

c2cl6

1821

IF₇

Iodine heptafluoride

if7

1822

C₆H₄F₂

metadifluorobenzene

mdfb

1823

C₆H₄F₂

orthodifluorobenzene

odfb

1824

C₆H₄F₂

1,4-difluorobenzene

pdfb

1825

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1826

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1827

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1828

C₆H₅NO

nitrosobenzene

bzno

1829

C₉H₈

Indene

indene

1830

C₉H₈

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

snt

1831

C₉H₁₂

n-propyl benzene

prbz

1832

C₉H₂₀

Nonane

nonane

1833

C(CN)₄

tetracyanomethane

c5n4

1834

C₅H₄N₄

purine

1835

C₈H₇N

Indole

indole

1836

C₃H₃N₃O₃

cyanuric acid

cyanuric

1837

C₆H₅NO₂

Nitrobenzene

c6h5no2

1838

C₆H₅COOH

benzoic acid

benzo

1839

CH₃COC₆H₅

acetophenone

acph

1840

C₃Cl₃N₃

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

c3cl3n3

1841

C₃F₆

hexafluoropropene

c3f6

1842

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1843

C₈H₁₈O

1-Octanol

octanol

1844

C₁₀H₈

Azulene

azu

1845

C₁₀H₈

naphthalene

naph

1846

C₁₀H₁₀

bullvalene

bullv

1847

C₁₀H₁₆

adamantane

1848

C₆N₄

Tetracyanoethylene

tcne

1849

C₆N₄^-

tetracyanoethylene anion

tcne-

1850

C₁₀H₂₂

Decane

decane

1851

C₄F₆

perfluorobutadiene

c4f6

1852

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1853

C₃F₈

perfluoropropane

c3f8

1854

Fe(CO)₅

Iron pentacarbonyl

ipc

1855

Fe(C₅H₅)₂

ferrocene

fecp2

1856

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1857

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1858

C₁₂H₈

Acenaphthylene

acenaph

1859

C₁₂H₈

biphenylene

biph

1860

C₁₂H₁₀

biphenyl

1861

C₁₂H₁₀

Heptalene

heptalene

1862

C₆H₁₂O₆

Inositol

inositol

1863

C₆F₆

hexafluorobenzene

c6f6

1864

S₂F₁₀

disulphur decafluoride

s2f10

1865

C₁₃H₁₀

Fluorene

fluorene

1866

C₁₄H₁₀

Anthracene

anth

1867

C₁₄H₁₀

Phenanthrene

phenanthrene

1868

C₁₄H₁₄

Bibenzyl

bibenzyl

1869

C₁₂H₁₀N₂

azobenzene

1870

C₆H₅COC₆H₅

benzophenone

1871

C₁₆H₁₀

Pyrene

pyrene

1872

C₁₈H₁₂

Tetracene

tetracene

1873

C₁₉H₁₆

Triphenylmethane

tpm

1874

C₂₄H₁₂

Coronene

coronene

1875

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. HF vs MP2 Bad vib. Calc. vs exp. 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
You are here: Resources > Info on Results > Calculations Done > Method and basis set