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 /aug-cc-pVTZ

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
3	He	Helium atom	¹S	K_h
4	He	Helium atom
5	Li^-	Lithium atom anion	¹S	K_h
6	LiH	Lithium Hydride	¹Σ	C_∞v
7	CuH	Copper monohydride	¹Σ	C_∞v
8	BeH	beryllium monohydride	²Σ	C_∞v
9	MgH	magnesium monohydride	²Σ	C_∞v
10	TiH	Titanium monohydride	⁴Φ	C_∞v
11	BeH₂⁺	Beryllium dihydride cation
12	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
13	Al	Aluminum atom	²P	K_h
14	Al^-	Aluminum atom anion	³P	K_h
15	Al⁺	Aluminum atom cation	¹S	K_h
16	Sc	Scandium atom	²D	K_h
17	Sc⁺	Scandium cation	³D	K_h
18	BH	Boron monohydride	¹Σ	C_∞v
19	BH	Boron monohydride	³Π	C_∞v
20	ScH	Scandium monohydride	¹Σ	C_∞v
21	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
22	BH₃⁺	boron trihydride cation	²B₂	C_2v
23	BH₃⁺	boron trihydride cation		C_2v
24	AlH₃	aluminum trihydride	¹A₁^'	D_3h
25	AlH₃^-	aluminum trihydride anion		C_3v
26	ScH₃	Scandium trihydride	¹A₁^'	D_3h
27	ScH₃	Scandium trihydride	¹A₁	C_3v
28	BH₄	borohydride	²B₂	C_2v
29	BH₄^-	borohydride anion	¹A₁	T_d
30	C	Carbon atom	³P₀	K_h
31	C^-	Carbon atom anion	²D	K_h
32	Si^-	Silicon atom anion	⁴S	K_h
33	SiH	Silylidyne	²Π	C_∞v
34	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
35	GeH	germylidene	²Π	C_∞v
36	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
37	CH₂	Methylene	³B₁	C_2v
38	CH₂	Methylene	³Σ_G	D_∞h
39	CH₂	Methylene	¹A₁	C_2v
40	CH₂^-	methylene anion	²B₁	C_2v
41	CH₂⁺	methylene cation	²A₁	C_2v
42	CH₂⁺	methylene cation	²Π	D_∞h
43	GeH₂	germylene	¹A₁	C_2v
44	CH₃	Methyl radical	²A₁	D_3h
45	CH₃^-	methyl anion	¹A₁	C_3v
46	CH₃⁺	methyl cation	¹A₁^'	D_3h
47	SiH₃	Silyl radical	²A₁	C_3v
48	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
49	CH₄	Methane	¹A₁	T_d
50	CH₄^-	Methane anion	²A₁	T_d
51	SiH₂D₂	silane-d2
52	SiH₄	Silane	¹A₁	T_d
53	SiH₅⁺	Silane, protonated
54	N	Nitrogen atom	⁴S	K_h
55	P	Phosphorus atom	⁴S	K_h
56	V	Vanadium atom	⁴F	K_h
57	V⁺	Vanadium atom cation	⁵D	K_h
58	As	Arsenic atomic	⁴S	K_h
59	As^-	Arsenic anion	³P	K_h
60	As⁺	Arsenic cation	³P	K_h
61	PH	phosphorus monohydride	³Σ^-	C_∞v
62	NH₂	Amino radical	²B₁	C_2v
63	NH₂⁺	Amino cation	³B₁	C_2v
64	NH₂⁺	Amino cation	¹A₁	C_2v
65	NH₃	Ammonia	¹A₁	C_3v
66	NH₃^-	Ammonia anion	²A₁	C_3v
67	NH₃⁺	ammonia cation	²A₂^"	D_3h
68	PH₃	Phosphine	¹A₁	C_3v
69	PH₃⁺	Phosphine cation	²A₁	C_3v
70	NH₄⁺	ammonium cation	¹A₁	T_d
71	PH₄	Phosphoranyl radical
72	PH₄⁺	phosphonium cation
73	S	Sulfur atom	³P	K_h
74	S^-	Sulfur atom anion	²P	K_h
75	S⁺	Sulfur atom cation	⁴S	K_h
76	OH	Hydroxyl radical	²Π	C_∞v
77	OH^-	hydroxide anion	¹Σ	C_∞v
78	OH⁺	hydoxyl cation	³Σ	C_∞v
79	HS	Mercapto radical	²Π	C_∞v
80	HS^-	mercapto anion	¹Σ	C_∞v
81	HS⁺	sulfur monohydride cation	³Σ	C_∞v
82	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
83	HSe⁺	selenium monohydride cation	³Σ	C_∞v
84	H₂O	Water	¹A₁	C_2v
85	H₂O^-	water anion	²A₁	C_2v
86	H₂O^-	water anion	²A^'	C_s
87	H₂O⁺	water cation	²B₁	C_2v
88	HDO	Water-d1	¹A₁	C_2v
89	H₂S	Hydrogen sulfide	¹A₁	C_2v
90	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
91	H₂Se	Hydrogen selenide	¹A₁	C_2v
92	H₃O⁺	hydronium cation	¹A₁	C_3v
93	H₃S⁺	Sulfonium cation	¹A₁	C_3v
94	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
95	F^-	Fluorine atom anion	¹S	K_h
96	F⁺	Fluorine atom cation	³S	K_h
97	F⁺	Fluorine atom cation	¹D	K_h
98	Cl	Chlorine atom	²P	K_h
99	Cl^-	Chlorine atom anion	¹S	K_h
100	Cl⁺	Chlorine atom cation	³P	K_h
101	Cl⁺	Chlorine atom cation	¹D	K_h
102	HF	Hydrogen fluoride	¹Σ	C_∞v
103	HCl⁺	hydrogen chloride cation	²Π	C_∞v
104	HBr	hydrogen bromide	¹Σ	C_∞v
105	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
106	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
107	Ne	Neon atom	¹S	K_h
108	Ne	Neon atom
109	Kr	Krypton atom	¹S	K_h
110	Kr⁺	Krypton cation	²P	K_h
111	ArH⁺	Argon hydride cation	¹Σ	C_∞v
112	KrH⁺	Protonated Krypton	¹Σ	C_∞v
113	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
114	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
115	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
116	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
117	BeMg	Beryllium Magnesium	¹Σ	C_∞v
118	LiB	Lithium boride	³Π	C_∞v
119	NaAl	Sodium aluminum	¹Σ	C_∞v
120	BeB	Beryllium monoboride	²Π	C_∞v
121	B₂	Boron diatomic	¹Σ_g	D_∞h
122	B₂	Boron diatomic	⁵Σ_u	D_∞h
123	B₂⁺	Boron diatomic cation	²Π	D_∞h
124	BAl	Boron Aluminum	³Σ	C_∞v
125	BGa	Boron Gallium	³Σ	C_∞v
126	AlGa	Aluminum Gallium	³Σ	C_∞v
127	AlGa	Aluminum Gallium	¹Σ	C_∞v
128	Ga₂	Gallium diatomic	³P_iu
129	HBBH	Diborane(2)	³Σ_G	D_∞h
130	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
131	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
132	B₂H₆	Diborane	¹A_g	D_2h
133	B₂H₆⁺	Diborane cation
134	Ga₂H₆	digallane	¹A_G	D_2h
135	BeC	Beryllium Carbide	³Σ^-	C_∞v
136	BeC	Beryllium Carbide
137	AlC	Aluminum carbide	⁴Σ	C_∞v
138	BSi	Boron silicide	⁴Σ	C_∞v
139	BSi	Boron silicide	²Σ	C_∞v
140	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
141	C₂	Carbon diatomic	³Σ_g^-
142	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
143	SiGe	Silicon Germanium
144	C₂H	Ethynyl radical	²Σ	C_∞v
145	C₂H^-	Ethynyl anion	¹Σ	C_∞v
146	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
147	H₂CC^-	vinylidene anion
148	CH₃Li	methyl lithium	¹A₁	C_3v
149	CH₂BH	methyleneborane	¹A₁	C_2v
150	C₂H₃	vinyl	²A^'	C_s
151	C₂H₃^-	vinyl anion	¹A^'	C_s
152	C₂H₄^-	Ethylene anion	²A_g	C_2h
153	C₂H₄⁺	Ethylene cation	²B₃	D₂
154	CH₃BH₂	methylborane	¹A^'	C_s
155	C₂H₅	Ethyl radical	²A^'	C_s
156	C₂H₆	Ethane	¹A_1g	D_3d
157	Si₂H₆	disilane	¹E_u	D_3d
158	LiP	Lithium monophosphide
159	LiP	Lithium monophosphide
160	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
161	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
162	MgN	Magnesium Nitride
163	BP	Boron monophosphide	³Π	C_∞v
164	BP	Boron monophosphide	¹Σ	C_∞v
165	AlP	Aluminum monophosphide	³Σ	C_∞v
166	AlP	Aluminum monophosphide	³Π	C_∞v
167	AlP	Aluminum monophosphide	¹Σ	C_∞v
168	GaP	Gallium monophosphide	³Σ	C_∞v
169	GaP	Gallium monophosphide	¹Σ	C_∞v
170	GaAs	Gallium arsenide	³Π
171	GaAs	Gallium arsenide	¹Σ
172	BN	boron nitride	³Π	C_∞v
173	BN	boron nitride	¹Σ	C_∞v
174	CN	Cyano radical	²Σ	C_∞v
175	CN^-	cyanide anion	¹Σ	C_∞v
176	SiP	Silicon monophosphide	²Π	C_∞v
177	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
178	HCN	Hydrogen cyanide	¹Σ	C_∞v
179	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
180	HNC⁺	hydrogen isocyanide cation
181	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
182	N₂H₂	(E)-diazene	¹A_g	C_2h
183	N₂H₂	(Z)-Diazene	¹A₁	C_2v
184	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
185	CH₂NH⁺	Methanimine cation
186	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
187	N₂H₄⁺	hydrazine cation	²A_G	C_2h
188	CH₃NH₂	methyl amine	¹A^'	C_s
189	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
190	BH₃NH₃	borane ammonia	¹A₁	C_3v
191	LiO	lithium oxide	²Σ	C_∞v
192	LiS	Lithium monosulfide	²Π	C_∞v
193	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
194	NaO	sodium monoxide	²Σ	C_∞v
195	NaS	Sodium sulfide	²Π	C_∞v
196	BO	boron monoxide	²Σ	C_∞v
197	CO	Carbon monoxide	¹Σ	C_∞v
198	CO^-	carbon monoxide anion	²Π	C_∞v
199	CO⁺	carbon monoxide cation	²Σ	C_∞v
200	TiO	Titanium monoxide	³Δ	C_∞v
201	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
202	GeS	Germanium monosulfide	¹Σ	C_∞v
203	SiSe	Silicon Monoselenide
204	SiSe⁺	Silicon Monoselenide cation
205	NO	Nitric oxide	²Π	C_∞v
206	NO^-	nitric oxide anion	³Σ	C_∞v
207	NO⁺	nitric oxide cation	¹Σ	C_∞v
208	NS	Mononitrogen monosulfide	²Π	C_∞v
209	PO	Phosphorus monoxide	²Π	C_∞v
210	PS	phosphorus sulfide	²Σ	C_∞v
211	VO	Vanadium monoxide	⁴Σ^-
212	NSe	Nitrogen monoselenide	²Π	C_∞v
213	AsS	Arsenic monosulfide	²Π	C_∞v
214	PSe	Phosphorus monoselenide	²Π	C_∞v
215	O₂	Oxygen diatomic	³Σ_g	D_∞h
216	O₂^-	oxygen diatomic anion	²Π	D_∞h
217	SO⁺	sulfur monoxide cation	²Π	C_∞v
218	S₂	Sulfur diatomic	³Σ_g	D_∞h
219	LiOH	lithium hydroxide	¹Σ	C_∞v
220	BeOH	beryllium monohydroxide	²Σ	C_∞v
221	HBO	Boron hydride oxide	¹Σ	C_∞v
222	COH	Hydroxymethylidyne
223	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
224	HCO^-	formyl anion	¹A^'	C_s
225	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
226	NOH	Hydroxyimidogen	³A^"	C_s
227	NOH⁺	O-protonated nitric oxide	²A^'	C_s
228	HO₂	Hydroperoxy radical	²A^"	C_s
229	HO₂⁺	Hydroperoxy cation	³A^"	C_s
230	HSO⁺	Sulfur Monoxide, S-protonated
231	SOH⁺	Sulfur Monoxide, protonated
232	H₂CO^-	formaldehyde anion	²A^'	C_s
233	H₂CO⁺	formaldehyde cation	²B₂	C_2v
234	H₂CS	Thioformaldehyde	¹A₁	C_2v
235	H₂NO	nitroxide	²B₁	C_2v
236	H₂NO	nitroxide	²A^'	C_s
237	H₂O₂	Hydrogen peroxide	¹A	C₂
238	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
239	H₂S₂	Disulfane	¹A	C₂
240	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
241	CH₂OH	Hydroxymethyl radical	²A	C₁
242	CH₃O⁺	Methoxy cation	³A₁	C_3v
243	NH₂OH	hydroxylamine	¹A^'	C_s
244	NH₂OH⁺	Hydroxylamine cation
245	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
246	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
247	CH₃SH	Methanethiol	¹A^'	C_s
248	CH₃SH⁺	Methanethiol cation	²A^"	C_s
249	H₂OH₂O	water dimer	¹A^'	C_s
250	LiCl	lithium chloride	¹Σ	C_∞v
251	NaF	sodium fluoride	¹Σ	C_∞v
252	NaCl	Sodium Chloride	¹Σ	C_∞v
253	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
254	ZnF	Zinc monofluoride	²Σ	C_∞v
255	ScF	Scandium monofluoride	¹Σ	C_∞v
256	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
257	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
258	CF	Fluoromethylidyne	²Π	C_∞v
259	SiF	silicon monofluoride	²Π	C_∞v
260	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
261	CBr	Carbon monobromide	²Π	C_∞v
262	NCl	nitrogen monochloride	³Σ	C_∞v
263	AsF	Arsenic monofluoride	³Σ	C_∞v
264	AsCl	Arsenic monochloride	³Σ	C_∞v
265	FO	Oxygen monofluoride	²Π	C_∞v
266	SF	Monosulfur monofluoride	²Π	C_∞v
267	SeF	Selenium monofluoride	²Π	C_∞v
268	SeCl	Selenium monochloride	²Π	C_∞v
269	F₂	Fluorine diatomic	¹Σ_g	D_∞h
270	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
271	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
272	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
273	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
274	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
275	HCF	Fluoromethylene	¹A^'	C_s
276	HCF	Fluoromethylene	³A^"	C_s
277	HOCl⁺	hypochlorous acid cation
278	ClFH⁺	Chlorine fluoride, F-protonated
279	FClH⁺	Chlorine fluoride, Cl-protonated
280	CH₂F	fluoromethyl radical	²A	C_s
281	CH₃F	Methyl fluoride	¹A₁	C_3v
282	CH₃Cl	Methyl chloride	¹A₁	C_3v
283	LiNe⁺	Lithium Neon cation
284	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
285	Ar₂	Argon diatomic	¹S_g	D_∞h
286	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
287	Li₃	Lithium trimer	²B₂	C_2v
288	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
289	C₃	carbon trimer	¹Σ_g	D_∞h
290	C₃	carbon trimer	¹A₁	C_2v
291	C₃H₃	cyclopropenyl radical	²A^'	C_s
292	C₃H₅	Allyl radical	²A^"	C_s
293	LiCN	lithium cyanide	¹Σ	C*V LiCN
294	LiCN	lithium cyanide	¹A^'	C_s
295	LiCN	lithium cyanide	¹Σ	C*V LiNC
296	NaCN	Sodium Cyanide	¹Σ	C_∞v
297	NaCN	Sodium Cyanide	¹A	C_s
298	N₃	azide radical	²Π_g	D_∞h
299	N₃⁺	azide cation	³Σ_g	D_∞h
300	N₃⁺	azide cation	³Σ	C_∞v
301	HCCN	cyanomethylene	³A^"	C_s
302	NH₂CN	cyanamide	¹A₁	C_2v
303	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
304	CH₂CHNH	vinylazine	²A^"	CS cis
305	Li₂O	dilithium oxide	¹Σ_g	D_∞h
306	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
307	Li₂S	dilithium sulfide	¹A₁	C_2v
308	Na₂O	disodium monoxide	¹Σ_g	Linear
309	CCO	Dicarbon monoxide	³Σ	C_∞v
310	CCO	Dicarbon monoxide	¹Π	C_∞v
311	NCO	isocyanato radical	²Π	C_∞v
312	N₂O	Nitrous oxide	¹Σ	C_∞v
313	N₂O^-	Nitrous oxide anion	²A^'	C_s
314	OCS	Carbonyl sulfide	¹Σ	C_∞v
315	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
316	NO₂	Nitrogen dioxide	²A₁	C_2v
317	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
318	O₃	Ozone	¹A₁	C_s
319	S₃	Sulfur trimer	¹A₁	C_2v
320	S₃⁺	Sulfur trimer cation	²B₂	C_2v
321	HCNO	fulminic acid	¹Σ	C_∞v
322	HCNO	fulminic acid	¹A^'	C_s
323	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
324	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
325	O₃H⁺	protonated ozone	¹A^'	C_s
326	H₂COO	Dioxymethyl radical	²A^'	C_s
327	HCOOH	Formic acid	¹A^'	C_s
328	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
329	BH₃CO	Borane carbonyl	¹A₁	C_3v
330	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
331	CH₃NO	nitrosomethane	¹A^'	C_s
332	CNF	iso cyanogen fluoride	¹Σ	C_∞v
333	FCO	Carbonyl fluoride	²A^'	C_s
334	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
335	ClCO	carbonyl monochloride	²A^'	C_s
336	BF₂	Boron difluoride radical	²A₁	C_2v
337	FSN	Thiazyl fluoride	¹A^'	C_s
338	CF₂	Difluoromethylene	¹A₁	D_∞h
339	OClO^-	Chlorine dioxide anion	¹A^'	C_s
340	HFCO⁺	formyl fluoride cation	²A^'	C_s
341	Li₃N	trilithium nitride	¹A^'	D_3h
342	C₂N₂	Cyanogen	¹Σ_g	D_∞h
343	C₄H₈	cyclobutane	¹A₁	D_2d
344	C₃O	Tricarbon monoxide	¹Σ	C_∞v
345	ONNO	NO dimer	¹A_g	trans C2H
346	NH₂CONH₂	Urea	¹A₁	C_2v
347	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
348	BrONO₂	Bromine nitrate	¹A^'	C_s
349	TiF₄	Titanium tetrafluoride	¹A₁	T_d
350	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
351	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

H₂^-

hydrogen diatomic anion

²Σ_u⁺

D_∞h

Helium atom

¹S

K_h

Helium atom

Li^-

Lithium atom anion

¹S

K_h

LiH

Lithium Hydride

¹Σ

C_∞v

CuH

Copper monohydride

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

AlH₃^-

aluminum trihydride anion

C_3v

ScH₃

Scandium trihydride

¹A₁^'

D_3h

ScH₃

Scandium trihydride

¹A₁

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

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

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

SiH₅⁺

Silane, protonated

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

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

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

CrH⁺

Chromium hydride cation

⁵Σ

C_∞v

HSe⁺

selenium monohydride cation

³Σ

C_∞v

H₂O

Water

¹A₁

C_2v

H₂O^-

water anion

²A₁

C_2v

H₂O^-

water anion

²A^'

C_s

H₂O⁺

water cation

²B₁

C_2v

HDO

Water-d1

¹A₁

C_2v

H₂S

Hydrogen sulfide

¹A₁

C_2v

H₂S⁺

Hydrogen sulfide cation

²B₁

C_2v

H₂Se

Hydrogen selenide

¹A₁

C_2v

H₃O⁺

hydronium cation

¹A₁

C_3v

H₃S⁺

Sulfonium cation

¹A₁

C_3v

H₃Se⁺

Hydrogen Selenide, protonated

¹A₁

C_3v

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

Cl^-

Chlorine atom anion

¹S

K_h

100

Cl⁺

Chlorine atom cation

³P

K_h

101

Cl⁺

Chlorine atom cation

¹D

K_h

102

Hydrogen fluoride

¹Σ

C_∞v

103

HCl⁺

hydrogen chloride cation

²Π

C_∞v

104

HBr

hydrogen bromide

¹Σ

C_∞v

105

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

106

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

107

Neon atom

¹S

K_h

108

Neon atom

109

Krypton atom

¹S

K_h

110

Kr⁺

Krypton cation

²P

K_h

111

ArH⁺

Argon hydride cation

¹Σ

C_∞v

112

KrH⁺

Protonated Krypton

¹Σ

C_∞v

113

H₂Ar

H2 Ar dimer

¹Σ

C_∞v

114

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

115

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

116

Be₂

Beryllium diatomic

¹Σ_g

D_∞h

117

BeMg

Beryllium Magnesium

¹Σ

C_∞v

118

LiB

Lithium boride

³Π

C_∞v

119

NaAl

Sodium aluminum

¹Σ

C_∞v

120

BeB

Beryllium monoboride

²Π

C_∞v

121

B₂

Boron diatomic

¹Σ_g

D_∞h

122

B₂

Boron diatomic

⁵Σ_u

D_∞h

123

B₂⁺

Boron diatomic cation

²Π

D_∞h

124

BAl

Boron Aluminum

³Σ

C_∞v

125

BGa

Boron Gallium

³Σ

C_∞v

126

AlGa

Aluminum Gallium

³Σ

C_∞v

127

AlGa

Aluminum Gallium

¹Σ

C_∞v

128

Ga₂

Gallium diatomic

³P_iu

129

HBBH

Diborane(2)

³Σ_G

D_∞h

130

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

131

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

132

B₂H₆

Diborane

¹A_g

D_2h

133

B₂H₆⁺

Diborane cation

134

Ga₂H₆

digallane

¹A_G

D_2h

135

BeC

Beryllium Carbide

³Σ^-

C_∞v

136

BeC

Beryllium Carbide

137

AlC

Aluminum carbide

⁴Σ

C_∞v

138

BSi

Boron silicide

⁴Σ

C_∞v

139

BSi

Boron silicide

²Σ

C_∞v

140

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

141

C₂

Carbon diatomic

³Σ_g^-

142

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

143

SiGe

Silicon Germanium

144

C₂H

Ethynyl radical

²Σ

C_∞v

145

C₂H^-

Ethynyl anion

¹Σ

C_∞v

146

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

147

H₂CC^-

vinylidene anion

148

CH₃Li

methyl lithium

¹A₁

C_3v

149

CH₂BH

methyleneborane

¹A₁

C_2v

150

C₂H₃

vinyl

²A^'

C_s

151

C₂H₃^-

vinyl anion

¹A^'

C_s

152

C₂H₄^-

Ethylene anion

²A_g

C_2h

153

C₂H₄⁺

Ethylene cation

²B₃

D₂

154

CH₃BH₂

methylborane

¹A^'

C_s

155

C₂H₅

Ethyl radical

²A^'

C_s

156

C₂H₆

Ethane

¹A_1g

D_3d

157

Si₂H₆

disilane

¹E_u

D_3d

158

LiP

Lithium monophosphide

159

LiP

Lithium monophosphide

160

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

161

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

162

MgN

Magnesium Nitride

163

Boron monophosphide

³Π

C_∞v

164

Boron monophosphide

¹Σ

C_∞v

165

AlP

Aluminum monophosphide

³Σ

C_∞v

166

AlP

Aluminum monophosphide

³Π

C_∞v

167

AlP

Aluminum monophosphide

¹Σ

C_∞v

168

GaP

Gallium monophosphide

³Σ

C_∞v

169

GaP

Gallium monophosphide

¹Σ

C_∞v

170

GaAs

Gallium arsenide

³Π

171

GaAs

Gallium arsenide

¹Σ

172

boron nitride

³Π

C_∞v

173

boron nitride

¹Σ

C_∞v

174

Cyano radical

²Σ

C_∞v

175

CN^-

cyanide anion

¹Σ

C_∞v

176

SiP

Silicon monophosphide

²Π

C_∞v

177

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

178

HCN

Hydrogen cyanide

¹Σ

C_∞v

179

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

180

HNC⁺

hydrogen isocyanide cation

181

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

182

N₂H₂

(E)-diazene

¹A_g

C_2h

183

N₂H₂

(Z)-Diazene

¹A₁

C_2v

184

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

185

CH₂NH⁺

Methanimine cation

186

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

187

N₂H₄⁺

hydrazine cation

²A_G

C_2h

188

CH₃NH₂

methyl amine

¹A^'

C_s

189

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

190

BH₃NH₃

borane ammonia

¹A₁

C_3v

191

LiO

lithium oxide

²Σ

C_∞v

192

LiS

Lithium monosulfide

²Π

C_∞v

193

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

194

NaO

sodium monoxide

²Σ

C_∞v

195

NaS

Sodium sulfide

²Π

C_∞v

196

boron monoxide

²Σ

C_∞v

197

Carbon monoxide

¹Σ

C_∞v

198

CO^-

carbon monoxide anion

²Π

C_∞v

199

CO⁺

carbon monoxide cation

²Σ

C_∞v

200

TiO

Titanium monoxide

³Δ

C_∞v

201

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

202

GeS

Germanium monosulfide

¹Σ

C_∞v

203

SiSe

Silicon Monoselenide

204

SiSe⁺

Silicon Monoselenide cation

205

Nitric oxide

²Π

C_∞v

206

NO^-

nitric oxide anion

³Σ

C_∞v

207

NO⁺

nitric oxide cation

¹Σ

C_∞v

208

Mononitrogen monosulfide

²Π

C_∞v

209

Phosphorus monoxide

²Π

C_∞v

210

phosphorus sulfide

²Σ

C_∞v

211

Vanadium monoxide

⁴Σ^-

212

NSe

Nitrogen monoselenide

²Π

C_∞v

213

AsS

Arsenic monosulfide

²Π

C_∞v

214

PSe

Phosphorus monoselenide

²Π

C_∞v

215

O₂

Oxygen diatomic

³Σ_g

D_∞h

216

O₂^-

oxygen diatomic anion

²Π

D_∞h

217

SO⁺

sulfur monoxide cation

²Π

C_∞v

218

S₂

Sulfur diatomic

³Σ_g

D_∞h

219

LiOH

lithium hydroxide

¹Σ

C_∞v

220

BeOH

beryllium monohydroxide

²Σ

C_∞v

221

HBO

Boron hydride oxide

¹Σ

C_∞v

222

COH

Hydroxymethylidyne

223

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

224

HCO^-

formyl anion

¹A^'

C_s

225

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

226

NOH

Hydroxyimidogen

³A^"

C_s

227

NOH⁺

O-protonated nitric oxide

²A^'

C_s

228

HO₂

Hydroperoxy radical

²A^"

C_s

229

HO₂⁺

Hydroperoxy cation

³A^"

C_s

230

HSO⁺

Sulfur Monoxide, S-protonated

231

SOH⁺

Sulfur Monoxide, protonated

232

H₂CO^-

formaldehyde anion

²A^'

C_s

233

H₂CO⁺

formaldehyde cation

²B₂

C_2v

234

H₂CS

Thioformaldehyde

¹A₁

C_2v

235

H₂NO

nitroxide

²B₁

C_2v

236

H₂NO

nitroxide

²A^'

C_s

237

H₂O₂

Hydrogen peroxide

¹A

C₂

238

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

239

H₂S₂

Disulfane

¹A

C₂

240

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

241

CH₂OH

Hydroxymethyl radical

²A

C₁

242

CH₃O⁺

Methoxy cation

³A₁

C_3v

243

NH₂OH

hydroxylamine

¹A^'

C_s

244

NH₂OH⁺

Hydroxylamine cation

245

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

246

CH₃OH^-

Methyl alcohol anion

²A^'

CS eclipsed

247

CH₃SH

Methanethiol

¹A^'

C_s

248

CH₃SH⁺

Methanethiol cation

²A^"

C_s

249

H₂OH₂O

water dimer

¹A^'

C_s

250

LiCl

lithium chloride

¹Σ

C_∞v

251

NaF

sodium fluoride

¹Σ

C_∞v

252

NaCl

Sodium Chloride

¹Σ

C_∞v

253

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

254

ZnF

Zinc monofluoride

²Σ

C_∞v

255

ScF

Scandium monofluoride

¹Σ

C_∞v

256

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

257

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

258

Fluoromethylidyne

²Π

C_∞v

259

SiF

silicon monofluoride

²Π

C_∞v

260

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

261

CBr

Carbon monobromide

²Π

C_∞v

262

NCl

nitrogen monochloride

³Σ

C_∞v

263

AsF

Arsenic monofluoride

³Σ

C_∞v

264

AsCl

Arsenic monochloride

³Σ

C_∞v

265

Oxygen monofluoride

²Π

C_∞v

266

Monosulfur monofluoride

²Π

C_∞v

267

SeF

Selenium monofluoride

²Π

C_∞v

268

SeCl

Selenium monochloride

²Π

C_∞v

269

F₂

Fluorine diatomic

¹Σ_g

D_∞h

270

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

271

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

272

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

273

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

274

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

275

HCF

Fluoromethylene

¹A^'

C_s

276

HCF

Fluoromethylene

³A^"

C_s

277

HOCl⁺

hypochlorous acid cation

278

ClFH⁺

Chlorine fluoride, F-protonated

279

FClH⁺

Chlorine fluoride, Cl-protonated

280

CH₂F

fluoromethyl radical

²A

C_s

281

CH₃F

Methyl fluoride

¹A₁

C_3v

282

CH₃Cl

Methyl chloride

¹A₁

C_3v

283

LiNe⁺

Lithium Neon cation

284

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

285

Ar₂

Argon diatomic

¹S_g

D_∞h

286

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

287

Li₃

Lithium trimer

²B₂

C_2v

288

Li₃⁺

Lithium trimer cation

¹A₁^'

D_3h

289

C₃

carbon trimer

¹Σ_g

D_∞h

290

C₃

carbon trimer

¹A₁

C_2v

291

C₃H₃

cyclopropenyl radical

²A^'

C_s

292

C₃H₅

Allyl radical

²A^"

C_s

293

LiCN

lithium cyanide

¹Σ

C*V LiCN

294

LiCN

lithium cyanide

¹A^'

C_s

295

LiCN

lithium cyanide

¹Σ

C*V LiNC

296

NaCN

Sodium Cyanide

¹Σ

C_∞v

297

NaCN

Sodium Cyanide

¹A

C_s

298

N₃

azide radical

²Π_g

D_∞h

299

N₃⁺

azide cation

³Σ_g

D_∞h

300

N₃⁺

azide cation

³Σ

C_∞v

301

HCCN

cyanomethylene

³A^"

C_s

302

NH₂CN

cyanamide

¹A₁

C_2v

303

HNCNH₂⁺

diiminomethane, protonated

¹A^'

C_s

304

CH₂CHNH

vinylazine

²A^"

CS cis

305

Li₂O

dilithium oxide

¹Σ_g

D_∞h

306

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

307

Li₂S

dilithium sulfide

¹A₁

C_2v

308

Na₂O

disodium monoxide

¹Σ_g

Linear

309

CCO

Dicarbon monoxide

³Σ

C_∞v

310

CCO

Dicarbon monoxide

¹Π

C_∞v

311

NCO

isocyanato radical

²Π

C_∞v

312

N₂O

Nitrous oxide

¹Σ

C_∞v

313

N₂O^-

Nitrous oxide anion

²A^'

C_s

314

OCS

Carbonyl sulfide

¹Σ

C_∞v

315

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

316

NO₂

Nitrogen dioxide

²A₁

C_2v

317

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

318

O₃

Ozone

¹A₁

C_s

319

S₃

Sulfur trimer

¹A₁

C_2v

320

S₃⁺

Sulfur trimer cation

²B₂

C_2v

321

HCNO

fulminic acid

¹Σ

C_∞v

322

HCNO

fulminic acid

¹A^'

C_s

323

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

324

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

325

O₃H⁺

protonated ozone

¹A^'

C_s

326

H₂COO

Dioxymethyl radical

²A^'

C_s

327

HCOOH

Formic acid

¹A^'

C_s

328

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

329

BH₃CO

Borane carbonyl

¹A₁

C_3v

330

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

331

CH₃NO

nitrosomethane

¹A^'

C_s

332

CNF

iso cyanogen fluoride

¹Σ

C_∞v

333

FCO

Carbonyl fluoride

²A^'

C_s

334

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

335

ClCO

carbonyl monochloride

²A^'

C_s

336

BF₂

Boron difluoride radical

²A₁

C_2v

337

FSN

Thiazyl fluoride

¹A^'

C_s

338

CF₂

Difluoromethylene

¹A₁

D_∞h

339

OClO^-

Chlorine dioxide anion

¹A^'

C_s

340

HFCO⁺

formyl fluoride cation

²A^'

C_s

341

Li₃N

trilithium nitride

¹A^'

D_3h

342

C₂N₂

Cyanogen

¹Σ_g

D_∞h

343

C₄H₈

cyclobutane

¹A₁

D_2d

344

C₃O

Tricarbon monoxide

¹Σ

C_∞v

345

ONNO

NO dimer

¹A_g

trans C2H

346

NH₂CONH₂

Urea

¹A₁

C_2v

347

NH₂COOH₂⁺

Carbamic acid, O-protonated

¹A

C₁

348

BrONO₂

Bromine nitrate

¹A^'

C_s

349

TiF₄

Titanium tetrafluoride

¹A₁

T_d

350

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

¹A^'

C_s

351

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 cation	h2+
9	HD	Deuterium hydride	hd
10	H₃⁺	hydrogen trimer cation	h3+
11	He^-	Helium atom anion	he-
12	He⁺	Helium atom cation	he+
13	HeH	Helium hydride	heh
14	HeH⁺	Helium hydride cation	heh+
15	He₂⁺	helium diatomic cation	he2+
16	Li	Lithium atom	li
17	Li⁺	Lithium atom cation	li+
18	Na	Sodium atom	na
19	Na^-	Sodium atom anion	na-
20	Na⁺	Sodium atom cation	na+
21	K	Potassium atom	k
22	K^-	Potassium atom anion	k-
23	K⁺	Potassium atom cation	k+
24	Cu	Copper atom	cu
25	Cu^-	Copper atom anion	cu-
26	Cu⁺	Copper atom cation	cu+
27	LiH^-	lithium hydride anion	lih-
28	LiH⁺	lithium hydride cation	lih+
29	NaH	sodium hydride	nah
30	NaH^-	sodium hydride anion	nah-
31	NaH⁺	sodium hydride cation	nah+
32	KH	Potassium hydride	kh
33	KH⁺	Potassium hydrogen cation	kh+
34	Be	Beryllium atom	be
35	Be^-	Beryllium atom anion	be-
36	Be⁺	Beryllium atom cation	be+
37	Mg	Magnesium atom	mg
38	Mg^-	Magnesium atom anion	mg-
39	Mg⁺	Magnesium atom cation	mg+
40	Ca	Calcium atom	ca
41	Ca^-	Calcium atom anion	ca-
42	Ca⁺	Calcium atom cation	ca+
43	Zn	Zinc atom	zn
44	Zn^-	Zinc atom anion	zn-
45	Zn⁺	Zinc atom cation	zn+
46	BeH^-	berylium monohydride anion	beh-
47	BeH⁺	beryllium monohydride cation	beh+
48	MgH^-	magnesium monohydride anion	mgh-
49	MgH⁺	magnesium monohydride cation	mgh+
50	CaH	Calcium monohydride	cah
51	CaH⁺	Calcium monohydride cation	cah+
52	ZnH	Zinc monohydride	znh
53	ZnH⁺	Zinc, protonated	znh+
54	BeH₂	beryllium dihydride	beh2
55	CaH₂	Calcium Hydride	cah2
56	ZnH₂	Zinc hydride	znh2
57	B	Boron atom	b
58	B^-	Boron atom anion	b-
59	B⁺	Boron atom cation	b+
60	Ga	Gallium atom	ga
61	Ga^-	Gallium atom anion	ga-
62	Ga⁺	Gallium atom cation	ga+
63	BH^-	boron monohydride anion	bh-
64	BH⁺	boron monohydride cation	bh+
65	AlH	aluminum monohydride	alh
66	AlH^-	aluminum monohydride anion	alh-
67	AlH⁺	aluminum monohydride cation	alh+
68	ScH⁺	Scandium monohydride cation	sch+
69	GaH	Gallium monohydride	gah
70	BH₂	boron dihydride	bh2
71	BH₂^-	boron dihydride anion	bh2-
72	BH₂⁺	Boron dihydride cation	bh2+
73	AlH₂	aluminum dihydride	alh2
74	AlH₂^-	aluminum dihydride anion	alh2-
75	AlH₂⁺	aluminum dihydride cation	alh2+
76	BH₃	boron trihydride	bh3
77	BH₃^-	boron trihydride anion	bh3-
78	AlH₃⁺	aluminum trihydride cation	alh3+
79	GaH₃	Gallium trihydride	gah3
80	AlH₄^-	Aluminum tetrahydride anion	alh4-
81	C^-	Carbon atom anion	c-
82	C⁺	Carbon atom cation	c+
83	Si	Silicon atom	si
84	Si⁺	Silicon atom cation	si+
85	Ti	Titanium atom	ti
86	Ti^-	Titanium atom anion	ti-
87	Ti⁺	Titanium atom cation	ti+
88	Ge	Germanium atom	ge
89	Ge^-	Germanium anion	ge-
90	Ge⁺	Germanium cation	ge+
91	Sn	Tin atom	sn
92	Sn⁺	Tin cation	sn+
93	CH	Methylidyne	ch
94	CH^-	methylidyne anion	ch-
95	CH⁺	Methylidyne cation	ch+
96	SiH^-	silicon monohydride anion	sih-
97	SiH₂	silicon dihydride	sih2
98	SiH₂^-	silicon dihydride anion	sih2-
99	SiH₂⁺	silicon dihydride cation	sih2+
100	GeH₂^-	germylene anion	geh2-
101	SiH₃^-	Silyl anion	sih3-
102	GeH₃	Germyl radical	geh3
103	GeH₃⁺	germyl cation	geh3+
104	CD₄	methane-d4	cd4
105	CH₂D₂	methane-d2	ch2d2
106	CH₃D	methane-d	ch3d
107	CH₄⁺	Methane cation	ch4+
108	CHD₃	methane-d3	chd3
109	SiH₄⁺	Silane cation	sih4+
110	GeH₄	Germane	geh4
111	SnH₄	Stannane	snh4
112	N^-	Nitrogen atom anion	n-
113	N⁺	Nitrogen atom cation	n+
114	P^-	Phosphorus atom anion	p-
115	P⁺	Phosphorus atom cation	p+
116	Sb	Antimony atom	sb
117	NH	Imidogen	nh
118	NH^-	Imidogen anion	nh-
119	NH⁺	imidogen cation	nh+
120	PH^-	phosphorus monohydride anion	ph-
121	PH⁺	phosphorus monohydride cation	ph+
122	AsH	Arsenic monohydride	ash
123	AsH⁺	Arsenic monohydride cation	ash+
124	SbH	Antimony monohydride	sbh
125	ND₂	Amidogen-d2	nd2
126	NH₂^-	amino anion	nh2-
127	PH₂	Phosphino radical	ph2
128	PH₂^-	Phosphino anion	ph2-
129	PH₂⁺	Phosphino cation	ph2+
130	AsH₂	Arsenic dihydride	ash2
131	AsH₂⁺	Arsenic dihydride cation	ash2+
132	ND₃	Ammonia-d3	nd3
133	AsH₃	Arsine	ash3
134	AsH₃⁺	Arsine cation	ash3+
135	SbH₃	Stibine	sbh3
136	AsH₄⁺	Arsonium	ash4+
137	NH₄	Ammonium radical	nh4
138	O	Oxygen atom	o
139	O^-	Oxygen atom anion	o-
140	O⁺	Oxygen atom cation	o+
141	Cr	Chromium atom	cr
142	Se	Selenium atom	se
143	Se^-	Selenium atom anion	se-
144	Se⁺	Selenium atom cation	se+
145	Te	Tellurium atom	te
146	Te⁺	Tellurium atom cation	te+
147	DO	Hydroxyl-d	od
148	DS	Mercapto-d	ds
149	HSe	Selenium monohydride	hse
150	HSe^-	selenium monohydride anion	hse-
151	TeH	Telluryl radical	teh
152	D₂O	Deuterium oxide	d2o
153	D₂S	Hydrogen sulfide-d2	d2s
154	H₂S^-	Hydrogen sulfide anion	h2s-
155	H₂Se⁺	Hydrogen selenide cation	h2se+
156	H₂Te	Hydrogen Telluride	h2te
157	F	Fluorine atom	f
158	Mn	Manganese atom	mn
159	Br	Bromine atom	br
160	Br^-	Bromine atom anion	br-
161	Br⁺	Bromine atom cation	br+
162	I	Iodine atom	iodine
163	I^-	Iodine atom anion	iodine-
164	I⁺	Iodine atom cation	iodine+
165	DF	Hydrofluoric acid-d	df
166	HF^-	hydrogen fluoride anion	hf-
167	HF⁺	hydrogen fluoride cation	hf+
168	DCl	Hydrochloric acid-d	dcl
169	HCl	Hydrogen chloride	hcl
170	HCl^-	hydrogen chloride anion	hcl-
171	HBr^-	hydrogen bromide anion	hbr-
172	HBr⁺	hydrogen bromide cation	hbr+
173	HI	Hydrogen iodide	hi
174	HI⁺	Hydrogen iodide cation	hi+
175	H₂F⁺	dihydrogen fluoride cation	h2f+
176	H₂I⁺	Iodonium	h2i+
177	Ne^-	Neon atom anion	ne-
178	Ne⁺	Neon atom cation	ne+
179	Ar	Argon atom	ar
180	Ar^-	Argon atom anion	ar-
181	Ar⁺	Argon atom cation	ar+
182	Fe	Iron atom	fe
183	Xe	Xenon atom	xe
184	HeLi⁺	Helium Lithium cation	heli+
185	NeH	neon hydrogen	neh
186	NeH⁺	neon hydrogen cation	neh+
187	XeH⁺	Xenon, protonated	xeh+
188	Co	Cobalt atom	cobalt
189	Ni	Nickel atom	ni
190	Li₂	Lithium diatomic	li2
191	Li₂^-	lithium diatomic anion	li2-
192	Li₂⁺	lithium diatomic cation	li2+
193	NaLi	lithium sodium	lina
194	NaLi^-	lithium sodium anion	lina-
195	NaLi⁺	lithium sodium cation	lina+
196	LiK	Lithium Potassium	lik
197	Na₂	Sodium diatomic	na2
198	NaK	Sodium Potassium	nak
199	NaK⁺	Sodium Potassium diatomic cation	nak+
200	K₂	Potassium diatomic	k2
201	Cu₂	Copper diatomic	cu2
202	LiBe	Lithium Beryllium	libe
203	LiMg	Lithium magnesium	limg
204	NaBe	Sodium Beryllium	nabe
205	NaMg	Sodium Magnesium	namg
206	Be₂^-	Beryllium diatomic anion	be2-
207	Be₂⁺	Beryllium diatomic cation	be2+
208	Mg₂	Magnesium diatomic	mg2
209	Mg₂^-	magnesium diatomic anion	mg2-
210	Mg₂⁺	magnesium diatomic cation	mg2+
211	Ca₂	Calcium diatomic	ca2
212	LiAl	Lithium Aluminum	lial
213	B₂	Boron diatomic	b2
214	B₂^-	Boron diatomic anion	b2-
215	Al₂	Aluminum diatomic	al2
216	Al₂^-	aluminum diatomic anion	al2-
217	Al₂⁺	aluminum diatomic cation	al2+
218	LiBH₄	Lithium borohydride	libh4
219	Al₂H₆	dialane	al2h6
220	LiC	Lithium Carbide	lic
221	CaC	Calcium monocarbide	cac
222	BC	boron monocarbide	bc
223	BC^-	boron monocarbide anion	bc-
224	BC⁺	boron monocarbide cation	bc+
225	C₂^-	carbon diatomic anion	c2-
226	SiC	silicon monocarbide	sic
227	SiC^-	silicon monocarbide anion	sic-
228	SiC⁺	silicon monocarbide cation	sic+
229	Si₂	Silicon diatomic	si2
230	Si₂^-	silcon diatomic anion	si2-
231	Si₂⁺	silcon diatomic cation	si2+
232	GeC	Germanium monocarbide	gec
233	Ge₂	Germanium diatomic	ge2
234	C₂H⁺	Ethynyl cation	c2h+
235	ZnCH₂	Zinc methylene	znch2
236	C₂H₂	Acetylene	c2h2
237	CCH₂	vinylidene	vinylidene
238	HCCH^-	acetylene anion	c2h2-
239	Si₂H₂	disilyne	si2h2
240	CuCH₃	monomethyl copper	cuch3
241	ZnCH₃	Zinc monomethyl	znch3
242	C₂H₃⁺	vinyl cation	c2h3+
243	C₂H₄	Ethylene	c2h4
244	CH₃CH	methylmethylene	ch3ch
245	CH₂SiH₂	silaethylene	ch2sih2
246	Si₂H₄	Disilene	si2h4
247	C₂H₅^-	Ethyl anion	c2h5-
248	C₂H₅⁺	Ethyl cation	c2h5+
249	C₂H₆⁺	ethane cation	c2h6+
250	CH₃SiH₃	methyl silane	ch3sih3
251	GeH₃CH₃	methyl germane	geh3ch3
252	C₂H₇⁺	Ethane, protonated	c2h7+
253	LiN	Lithium Nitride	lin
254	LiN⁺	Lithium Nitride cation	lin+
255	BeN	Beryllium mononitride	ben
256	BeN^-	Beryllium mononitride anion	ben-
257	BN^-	boron nitride anion	bn-
258	AlN^-	aluminum mononitride anion	aln-
259	AlN⁺	aluminum mononitride cation	aln+
260	GaN	Gallium mononitride	gan
261	BN⁺	boron nitride cation	bn+
262	AlN	Aluminum nitride	aln
263	CN⁺	Cyano cation	cn+
264	CP	Carbon monophosphide	cp
265	CP^-	carbon monophosphide anion	cp-
266	CP⁺	carbon monophosphide cation	cp+
267	SiN	Silicon nitride	sin
268	SiN^-	silicon mononitride anion	sin-
269	SiN⁺	silicon mononitride cation	sin+
270	SiP^-	Silicon monophosphide anion	sip-
271	SiP⁺	Silicon monophosphide cation	sip+
272	TiN	Titanium mononitride	tin
273	N₂	Nitrogen diatomic	n2
274	N₂⁺	diatomic nitrogen cation	n2+
275	PN	Phosphorus mononitride	pn
276	PN^-	phosphorus nitride anion	pn-
277	PN⁺	phosphorus nitride cation	pn+
278	P₂	Phosphorus diatomic	p2
279	P₂^-	phosphorus diatomic anion	p2-
280	P₂⁺	phosphorus diatomic cation	p2+
281	AsN	Arsenic mononitride	asn
282	AsP	Arsenic monophosphide	asp
283	SbN	Antimony nitride	sbn
284	As₂	Arsenic diatomic	as2
285	HNB	hydrogen nitrogen boron	hnb
286	HNC	hydrogen isocyanide	hnc
287	HCN^-	Hydrogen cyanide anion	hcn-
288	HCP	Phosphaethyne	hcp
289	HCP⁺	Phosphaethyne cation	hcp+
290	NNH	Dinitrogen monohydride	nnh
291	HPO	Hydrogen phosphorus oxide	hpo
292	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
293	LiNH₂	lithium amide	linh2
294	HBNH	Boranimine	hbnh
295	CNH₂	Aminomethylidyne radical	cnh2
296	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
297	H₂CN	Dihydrogen cyanide radical	h2cn
298	H₂CN⁺	hydrocyanonium cation	h2cn+
299	HCNH	methyleneazane	hcnh
300	HCNH⁺	N-protonated HCN	hcnh+
301	H₂NN	Isodiazene	h2nn
302	CH₂NH	Methanimine	ch3n
303	CHNH₂	aminomethylene	chnh2
304	CHNH₂⁺	Aminocarbene cation	chnh2+
305	CH₂PH	Phosphaethene	ch3p
306	BH₂NH₂	Boranamine	bh2nh2
307	N₂H₄	Hydrazine	n2h4
308	P₂H₄	Diphosphine	p2h4
309	CH₃PH₂	Methyl phosphine	ch3ph2
310	SiH₃NH₂	Silane, amino	sih3nh2
311	N₂H₅⁺	protonated hydrazine	n2h5+
312	BH₃PH₃	borane phosphine	bh3ph3
313	CH₃NH₃	methyl ammonium radical	ch3nh3
314	CH₃NH₃⁺	protonated methylamine	ch3nh3+
315	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
316	NH₃NH₃	Ammonia Dimer	nh3nh3
317	N₂H₇⁺	ammonia ammonium dimer	n2h7+
318	LiO^-	lithium oxide anion	lio-
319	LiO⁺	lithium oxide cation	lio+
320	NaO^-	sodium oxide anion	nao-
321	NaO⁺	sodium oxide cation	nao+
322	KO	Potassium monoxide	ko
323	KO⁺	Potassium monoxide cation	ko+
324	CuO	Copper Monoxide	cuo
325	LiSe	Lithium monoselenide	lise
326	BeO	beryllium oxide	beo
327	BeO^-	Beryllium monoxide anion	beo-
328	BeO⁺	Beryllium monoxide cation	beo+
329	BeS	beryllium sulfide	bes
330	MgO	magnesium oxide	mgo
331	MgO^-	magnesium oxide anion	mgo-
332	MgO⁺	magnesium oxide cation	mgo+
333	CaO	Calcium monoxide	cao
334	MgS	magnesium sulfide	mgs
335	MgS^-	magnesium sulfide anion	mgs-
336	MgS⁺	magnesium sulfide cation	mgs+
337	CaS	Calcium sulfide	cas
338	ZnO	zinc monoxide	zno
339	ZnS	Zinc sulfide	zns
340	BeS^-	Beryllium monosulfide anion	bes-
341	BeS⁺	Beryllium monosulfide cation	bes+
342	BO^-	boron monoxide anion	bo-
343	AlO	Aluminum monoxide	alo
344	AlO^-	Aluminum monoxide anion	alo-
345	AlO⁺	aluminum monoxide cation	alo+
346	BS	boron sulfide	bs
347	BS^-	boron monosulfide anion	bs-
348	BS⁺	boron monosulfide cation	bs+
349	AlS	Aluminum sulfide	als
350	AlS^-	aluminum monosulfide anion	als-
351	AlS⁺	aluminum monosulfide cation	als+
352	ScO	Scandium monoxide	sco
353	GaO	Gallium monoxide	gao
354	GaS	Gallium monosulfide	gas
355	BO⁺	boron monoxide cation	bo+
356	CS	carbon monosulfide	cs
357	CS^-	carbon monosulfide anion	cs-
358	CS⁺	carbon monosulfide cation	cs+
359	SiO	Silicon monoxide	sio
360	SiO^-	silicon monoxide anion	sio-
361	SiO⁺	silicon monoxide cation	sio+
362	SiS	silicon monosulfide	sis
363	SiS^-	silicon monosulfide anion	sis-
364	SiS⁺	silicon monosulfide cation	sis+
365	CSe	Carbon monoselenide	cse
366	CSe^-	Carbon monoselenide anion	cse-
367	CSe⁺	Carbon monoselenide cation	cse+
368	GeO	Germanium monoxide	geo
369	GeSe	Germanium monoselenide	gese
370	NS^-	nitrogen sulfide anion	ns-
371	NS⁺	nitrogen sulfide cation	ns+
372	PO^-	phosphorus monoxide anion	po-
373	PO⁺	phosphorus monoxide cation	po+
374	PS^-	phosphorus monosulfide anion	ps-
375	PS⁺	phosphorus monosulfide cation	ps+
376	AsO	Arsenic monoxide	aso
377	O₂^--	dioxygen dianion	o2--
378	O₂⁺	diatomic oxygen cation	o2+
379	SO	Sulfur monoxide	so
380	SO^-	sulfur monoxide anion	so-
381	S₂^-	sulfur diatomic anion	s2-
382	S₂⁺	sulfur diatomic cation	s2+
383	SeO	Selenium monoxide	seo
384	SeO^-	selenium monoxide anion	seo-
385	SeO⁺	selenium monoxide cation	seo+
386	SeS	Selenium monosulfide	ses
387	SeS^-	selenium monosulfide anion	ses-
388	SeS⁺	selenium monosulfide cation	ses+
389	TeO	Tellurium monoxide	teo
390	Se₂	Selenium diatomic	se2
391	Se₂^-	selenium diatomic anion	se2-
392	Se₂⁺	selenium diatomic cation	se2+
393	Te₂	Tellurium diatomic	te2
394	NaOH	sodium hydroxide	naoh
395	KOH	Potassium hydroxide	koh
396	MgOH	magnesium hydroxide	mgoh
397	CaOH	Calcium monohydroxide	caoh
398	HBS	hydrogen boron sulfide	hbs
399	HCO	Formyl radical	hco
400	HCO⁺	Formyl cation	hco+
401	HCS	Thioformyl radical	hcs
402	HCS^-	Thioformyl anion	hcs-
403	HCS⁺	Thioformyl cation	hcs+
404	HNO	Nitrosyl hydride	hno
405	HNO^-	Nitrosyl hydride anion	hno-
406	HNS	Sulfur imide	hns
407	HNS^-	Sulfur imide anion	hns-
408	HO₂^-	Hydroperoxy anion	ho2-
409	SOH	Sulfur Hydroxide	soh
410	HS₂	Thiosulfeno radical	hs2
411	H₂CO	Formaldehyde	h2co
412	HOCH	hydroxycarbene	hoch
413	H₂CS^-	thioformaldehyde anion	h2cs-
414	H₂CS⁺	thioformaldehyde cation	h2cs+
415	H₂CSe	Selenoformaldehyde	h2cse
416	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
417	H₂OO	water oxide	h2oo
418	HOSH	hydrogen thioperoxide	hosh
419	H₂Se₂	hydrogen diselenide	h2se2
420	CH₂OH⁺	hydroxymethyl cation	ch2oh+
421	CH₃O	Methoxy radical	ch3o
422	CH₃O^-	methoxy anion	ch3o-
423	CH₃S	thiomethoxy	ch3s
424	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
425	NH₃O	Ammonia Oxide	nh3o
426	H₂POH	Phosphinous acid	h2poh
427	H₃PO	Phosphine oxide	h3po
428	NH₂SH	Thiohydroxylamine	nh2sh
429	NH₃S	sulfidoazane	nh3s
430	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
431	CH₃OH	Methyl alcohol	ch3oh
432	CH₃OH⁺	Methyl alcohol cation	ch3oh+
433	SiH₃OH	silanol	sih3oh
434	CH₃SeH	Methane selenol	ch3seh
435	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
436	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
437	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
438	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
439	H₂ONH₃	Water Ammonia Dimer	h2onh3
440	H₅O₂⁺	Dihydroxonium ion	h5o2+
441	LiF	lithium fluoride	lif
442	LiCl^-	lithium chloride anion	licl-
443	LiCl⁺	lithium chloride cation	licl+
444	NaF^-	sodium fluoride anion	naf-
445	NaF⁺	sodium fluoride cation	naf+
446	KF	Potassium Fluoride	kf
447	NaCl^-	sodium chloride anion	nacl-
448	NaCl⁺	sodium chloride cation	nacl+
449	KCl	Potassium Chloride	kcl
450	CuF	Copper monofluoride	cuf
451	LiBr	Lithium Bromide	libr
452	LiBr^-	lithium bromide anion	libr-
453	LiBr⁺	lithium bromide cation	libr+
454	CuCl	Copper monochloride	cucl
455	NaBr	Sodium Bromide	nabr
456	NaBr^-	sodium bromide anion	nabr-
457	NaBr⁺	sodium bromide cation	nabr+
458	KBr	Potassium Bromide	kbr
459	LiI	Lithium Iodide	lii
460	NaI	Sodium Iodide	nai
461	KI	Potassium Iodide	ki
462	LiF^-	lithium fluoride anion	lif-
463	LiF⁺	lithium fluoride cation	lif+
464	BeF	Beryllium monofluoride	bef
465	BeF^-	Beryllium monofluoride anion	bef-
466	BeF⁺	Beryllium monofluoride cation	bef+
467	BeCl	beryllium monochloride	becl
468	MgF	Magnesium monofluoride	mgf
469	MgF^-	magnesium fluoride anion	mgf-
470	CaF	Calcium monofluoride	caf
471	MgCl	magnesium monochloride	mgcl
472	MgCl^-	magnesium monochloride anion	mgcl-
473	MgCl⁺	magnesium monochloride cation	mgcl+
474	CaCl	calcium monochloride	cacl
475	TiCl	Titanium Monochloride	ticl
476	ZnF^-	Zinc monofluoride anion	znf-
477	ZnF⁺	Zinc monofluoride cation	znf+
478	ZnCl	Zinc monochloride	zncl
479	CaBr	Calcium monobromide	cabr
480	BeCl^-	beryllium monochloride anion	becl-
481	BeCl⁺	beryllium monochloride cation	becl+
482	BF	Boron monofluoride	bf
483	BF^-	Boron monofluoride anion	bf-
484	BF⁺	Boron monofluoride cation	bf+
485	AlF	Aluminum monofluoride	alf
486	AlF^-	Aluminum monofluoride anion	alf-
487	AlF⁺	Aluminum monofluoride cation	alf+
488	BCl	boron monochloride	bcl
489	BCl^-	boron monochloride anion	bcl-
490	BCl⁺	boron monochloride cation	bcl+
491	AlCl	Aluminum monochloride	alcl
492	AlCl^-	aluminum monochloride anion	alcl-
493	AlCl⁺	aluminum monochloride cation	alcl+
494	BBr	Boron monobromide	bbr
495	GaF	Gallium monofluoride	gaf
496	AlBr	Aluminum monobromide	albr
497	GaCl	Gallium monochloride	gacl
498	AlI	Aluminum monoiodide	ali
499	GaBr	Gallium monobromide	gabr
500	CF^-	carbon monofluoride anion	cf-

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

He⁺

Helium atom cation

he+

HeH

Helium hydride

heh

HeH⁺

Helium hydride cation

heh+

He₂⁺

helium diatomic cation

he2+

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+

Potassium hydride

KH⁺

Potassium hydrogen cation

kh+

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 cation

alh3+

GaH₃

Gallium trihydride

gah3

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-

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

SiH₂⁺

silicon dihydride cation

sih2+

100

GeH₂^-

germylene anion

geh2-

101

SiH₃^-

Silyl anion

sih3-

102

GeH₃

Germyl radical

geh3

103

GeH₃⁺

germyl cation

geh3+

104

CD₄

methane-d4

cd4

105

CH₂D₂

methane-d2

ch2d2

106

CH₃D

methane-d

ch3d

107

CH₄⁺

Methane cation

ch4+

108

CHD₃

methane-d3

chd3

109

SiH₄⁺

Silane cation

sih4+

110

GeH₄

Germane

geh4

111

SnH₄

Stannane

snh4

112

N^-

Nitrogen atom anion

113

N⁺

Nitrogen atom cation

114

P^-

Phosphorus atom anion

115

P⁺

Phosphorus atom cation

116

Antimony atom

117

Imidogen

118

NH^-

Imidogen anion

nh-

119

NH⁺

imidogen cation

nh+

120

PH^-

phosphorus monohydride anion

ph-

121

PH⁺

phosphorus monohydride cation

ph+

122

AsH

Arsenic monohydride

ash

123

AsH⁺

Arsenic monohydride cation

ash+

124

SbH

Antimony monohydride

sbh

125

ND₂

Amidogen-d2

nd2

126

NH₂^-

amino anion

nh2-

127

PH₂

Phosphino radical

ph2

128

PH₂^-

Phosphino anion

ph2-

129

PH₂⁺

Phosphino cation

ph2+

130

AsH₂

Arsenic dihydride

ash2

131

AsH₂⁺

Arsenic dihydride cation

ash2+

132

ND₃

Ammonia-d3

nd3

133

AsH₃

Arsine

ash3

134

AsH₃⁺

Arsine cation

ash3+

135

SbH₃

Stibine

sbh3

136

AsH₄⁺

Arsonium

ash4+

137

NH₄

Ammonium radical

nh4

138

Oxygen atom

139

O^-

Oxygen atom anion

140

O⁺

Oxygen atom cation

141

Chromium atom

142

Selenium atom

143

Se^-

Selenium atom anion

se-

144

Se⁺

Selenium atom cation

se+

145

Tellurium atom

146

Te⁺

Tellurium atom cation

te+

147

Hydroxyl-d

148

Mercapto-d

149

HSe

Selenium monohydride

hse

150

HSe^-

selenium monohydride anion

hse-

151

TeH

Telluryl radical

teh

152

D₂O

Deuterium oxide

d2o

153

D₂S

Hydrogen sulfide-d2

d2s

154

H₂S^-

Hydrogen sulfide anion

h2s-

155

H₂Se⁺

Hydrogen selenide cation

h2se+

156

H₂Te

Hydrogen Telluride

h2te

157

Fluorine atom

158

Manganese atom

159

Bromine atom

160

Br^-

Bromine atom anion

br-

161

Br⁺

Bromine atom cation

br+

162

Iodine atom

iodine

163

I^-

Iodine atom anion

iodine-

164

I⁺

Iodine atom cation

iodine+

165

Hydrofluoric acid-d

166

HF^-

hydrogen fluoride anion

hf-

167

HF⁺

hydrogen fluoride cation

hf+

168

DCl

Hydrochloric acid-d

dcl

169

HCl

Hydrogen chloride

hcl

170

HCl^-

hydrogen chloride anion

hcl-

171

HBr^-

hydrogen bromide anion

hbr-

172

HBr⁺

hydrogen bromide cation

hbr+

173

Hydrogen iodide

174

HI⁺

Hydrogen iodide cation

hi+

175

H₂F⁺

dihydrogen fluoride cation

h2f+

176

H₂I⁺

Iodonium

h2i+

177

Ne^-

Neon atom anion

ne-

178

Ne⁺

Neon atom cation

ne+

179

Argon atom

180

Ar^-

Argon atom anion

ar-

181

Ar⁺

Argon atom cation

ar+

182

Iron atom

183

Xenon atom

184

HeLi⁺

Helium Lithium cation

heli+

185

NeH

neon hydrogen

neh

186

NeH⁺

neon hydrogen cation

neh+

187

XeH⁺

Xenon, protonated

xeh+

188

Cobalt atom

cobalt

189

Nickel atom

190

Li₂

Lithium diatomic

li2

191

Li₂^-

lithium diatomic anion

li2-

192

Li₂⁺

lithium diatomic cation

li2+

193

NaLi

lithium sodium

lina

194

NaLi^-

lithium sodium anion

lina-

195

NaLi⁺

lithium sodium cation

lina+

196

LiK

Lithium Potassium

lik

197

Na₂

Sodium diatomic

na2

198

NaK

Sodium Potassium

nak

199

NaK⁺

Sodium Potassium diatomic cation

nak+

200

K₂

Potassium diatomic

201

Cu₂

Copper diatomic

cu2

202

LiBe

Lithium Beryllium

libe

203

LiMg

Lithium magnesium

limg

204

NaBe

Sodium Beryllium

nabe

205

NaMg

Sodium Magnesium

namg

206

Be₂^-

Beryllium diatomic anion

be2-

207

Be₂⁺

Beryllium diatomic cation

be2+

208

Mg₂

Magnesium diatomic

mg2

209

Mg₂^-

magnesium diatomic anion

mg2-

210

Mg₂⁺

magnesium diatomic cation

mg2+

211

Ca₂

Calcium diatomic

ca2

212

LiAl

Lithium Aluminum

lial

213

B₂

Boron diatomic

214

B₂^-

Boron diatomic anion

b2-

215

Al₂

Aluminum diatomic

al2

216

Al₂^-

aluminum diatomic anion

al2-

217

Al₂⁺

aluminum diatomic cation

al2+

218

LiBH₄

Lithium borohydride

libh4

219

Al₂H₆

dialane

al2h6

220

LiC

Lithium Carbide

lic

221

CaC

Calcium monocarbide

cac

222

boron monocarbide

223

BC^-

boron monocarbide anion

bc-

224

BC⁺

boron monocarbide cation

bc+

225

C₂^-

carbon diatomic anion

c2-

226

SiC

silicon monocarbide

sic

227

SiC^-

silicon monocarbide anion

sic-

228

SiC⁺

silicon monocarbide cation

sic+

229

Si₂

Silicon diatomic

si2

230

Si₂^-

silcon diatomic anion

si2-

231

Si₂⁺

silcon diatomic cation

si2+

232

GeC

Germanium monocarbide

gec

233

Ge₂

Germanium diatomic

ge2

234

C₂H⁺

Ethynyl cation

c2h+

235

ZnCH₂

Zinc methylene

znch2

236

C₂H₂

Acetylene

c2h2

237

CCH₂

vinylidene

238

HCCH^-

acetylene anion

c2h2-

239

Si₂H₂

disilyne

si2h2

240

CuCH₃

monomethyl copper

cuch3

241

ZnCH₃

Zinc monomethyl

znch3

242

C₂H₃⁺

vinyl cation

c2h3+

243

C₂H₄

Ethylene

c2h4

244

CH₃CH

methylmethylene

ch3ch

245

CH₂SiH₂

silaethylene

ch2sih2

246

Si₂H₄

Disilene

si2h4

247

C₂H₅^-

Ethyl anion

c2h5-

248

C₂H₅⁺

Ethyl cation

c2h5+

249

C₂H₆⁺

ethane cation

c2h6+

250

CH₃SiH₃

methyl silane

ch3sih3

251

GeH₃CH₃

methyl germane

geh3ch3

252

C₂H₇⁺

Ethane, protonated

c2h7+

253

LiN

Lithium Nitride

lin

254

LiN⁺

Lithium Nitride cation

lin+

255

BeN

Beryllium mononitride

ben

256

BeN^-

Beryllium mononitride anion

ben-

257

BN^-

boron nitride anion

bn-

258

AlN^-

aluminum mononitride anion

aln-

259

AlN⁺

aluminum mononitride cation

aln+

260

GaN

Gallium mononitride

gan

261

BN⁺

boron nitride cation

bn+

262

AlN

Aluminum nitride

aln

263

CN⁺

Cyano cation

cn+

264

Carbon monophosphide

265

CP^-

carbon monophosphide anion

cp-

266

CP⁺

carbon monophosphide cation

cp+

267

SiN

Silicon nitride

sin

268

SiN^-

silicon mononitride anion

sin-

269

SiN⁺

silicon mononitride cation

sin+

270

SiP^-

Silicon monophosphide anion

sip-

271

SiP⁺

Silicon monophosphide cation

sip+

272

TiN

Titanium mononitride

tin

273

N₂

Nitrogen diatomic

274

N₂⁺

diatomic nitrogen cation

n2+

275

Phosphorus mononitride

276

PN^-

phosphorus nitride anion

pn-

277

PN⁺

phosphorus nitride cation

pn+

278

P₂

Phosphorus diatomic

279

P₂^-

phosphorus diatomic anion

p2-

280

P₂⁺

phosphorus diatomic cation

p2+

281

AsN

Arsenic mononitride

asn

282

AsP

Arsenic monophosphide

asp

283

SbN

Antimony nitride

sbn

284

As₂

Arsenic diatomic

as2

285

HNB

hydrogen nitrogen boron

hnb

286

HNC

hydrogen isocyanide

hnc

287

HCN^-

Hydrogen cyanide anion

hcn-

288

HCP

Phosphaethyne

hcp

289

HCP⁺

Phosphaethyne cation

hcp+

290

NNH

Dinitrogen monohydride

nnh

291

HPO

Hydrogen phosphorus oxide

hpo

292

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

293

LiNH₂

lithium amide

linh2

294

HBNH

Boranimine

hbnh

295

CNH₂

Aminomethylidyne radical

cnh2

296

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

297

H₂CN

Dihydrogen cyanide radical

h2cn

298

H₂CN⁺

hydrocyanonium cation

h2cn+

299

HCNH

methyleneazane

hcnh

300

HCNH⁺

N-protonated HCN

hcnh+

301

H₂NN

Isodiazene

h2nn

302

CH₂NH

Methanimine

ch3n

303

CHNH₂

aminomethylene

chnh2

304

CHNH₂⁺

Aminocarbene cation

chnh2+

305

CH₂PH

Phosphaethene

ch3p

306

BH₂NH₂

Boranamine

bh2nh2

307

N₂H₄

Hydrazine

n2h4

308

P₂H₄

Diphosphine

p2h4

309

CH₃PH₂

Methyl phosphine

ch3ph2

310

SiH₃NH₂

Silane, amino

sih3nh2

311

N₂H₅⁺

protonated hydrazine

n2h5+

312

BH₃PH₃

borane phosphine

bh3ph3

313

CH₃NH₃

methyl ammonium radical

ch3nh3

314

CH₃NH₃⁺

protonated methylamine

ch3nh3+

315

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

316

NH₃NH₃

Ammonia Dimer

nh3nh3

317

N₂H₇⁺

ammonia ammonium dimer

n2h7+

318

LiO^-

lithium oxide anion

lio-

319

LiO⁺

lithium oxide cation

lio+

320

NaO^-

sodium oxide anion

nao-

321

NaO⁺

sodium oxide cation

nao+

322

Potassium monoxide

323

KO⁺

Potassium monoxide cation

ko+

324

CuO

Copper Monoxide

cuo

325

LiSe

Lithium monoselenide

lise

326

BeO

beryllium oxide

beo

327

BeO^-

Beryllium monoxide anion

beo-

328

BeO⁺

Beryllium monoxide cation

beo+

329

BeS

beryllium sulfide

bes

330

MgO

magnesium oxide

mgo

331

MgO^-

magnesium oxide anion

mgo-

332

MgO⁺

magnesium oxide cation

mgo+

333

CaO

Calcium monoxide

cao

334

MgS

magnesium sulfide

mgs

335

MgS^-

magnesium sulfide anion

mgs-

336

MgS⁺

magnesium sulfide cation

mgs+

337

CaS

Calcium sulfide

cas

338

ZnO

zinc monoxide

zno

339

ZnS

Zinc sulfide

zns

340

BeS^-

Beryllium monosulfide anion

bes-

341

BeS⁺

Beryllium monosulfide cation

bes+

342

BO^-

boron monoxide anion

bo-

343

AlO

Aluminum monoxide

alo

344

AlO^-

Aluminum monoxide anion

alo-

345

AlO⁺

aluminum monoxide cation

alo+

346

boron sulfide

347

BS^-

boron monosulfide anion

bs-

348

BS⁺

boron monosulfide cation

bs+

349

AlS

Aluminum sulfide

als

350

AlS^-

aluminum monosulfide anion

als-

351

AlS⁺

aluminum monosulfide cation

als+

352

ScO

Scandium monoxide

sco

353

GaO

Gallium monoxide

gao

354

GaS

Gallium monosulfide

gas

355

BO⁺

boron monoxide cation

bo+

356

carbon monosulfide

357

CS^-

carbon monosulfide anion

cs-

358

CS⁺

carbon monosulfide cation

cs+

359

SiO

Silicon monoxide

sio

360

SiO^-

silicon monoxide anion

sio-

361

SiO⁺

silicon monoxide cation

sio+

362

SiS

silicon monosulfide

sis

363

SiS^-

silicon monosulfide anion

sis-

364

SiS⁺

silicon monosulfide cation

sis+

365

CSe

Carbon monoselenide

cse

366

CSe^-

Carbon monoselenide anion

cse-

367

CSe⁺

Carbon monoselenide cation

cse+

368

GeO

Germanium monoxide

geo

369

GeSe

Germanium monoselenide

gese

370

NS^-

nitrogen sulfide anion

ns-

371

NS⁺

nitrogen sulfide cation

ns+

372

PO^-

phosphorus monoxide anion

po-

373

PO⁺

phosphorus monoxide cation

po+

374

PS^-

phosphorus monosulfide anion

ps-

375

PS⁺

phosphorus monosulfide cation

ps+

376

AsO

Arsenic monoxide

aso

377

O₂^--

dioxygen dianion

o2--

378

O₂⁺

diatomic oxygen cation

o2+

379

Sulfur monoxide

380

SO^-

sulfur monoxide anion

so-

381

S₂^-

sulfur diatomic anion

s2-

382

S₂⁺

sulfur diatomic cation

s2+

383

SeO

Selenium monoxide

seo

384

SeO^-

selenium monoxide anion

seo-

385

SeO⁺

selenium monoxide cation

seo+

386

SeS

Selenium monosulfide

ses

387

SeS^-

selenium monosulfide anion

ses-

388

SeS⁺

selenium monosulfide cation

ses+

389

TeO

Tellurium monoxide

teo

390

Se₂

Selenium diatomic

se2

391

Se₂^-

selenium diatomic anion

se2-

392

Se₂⁺

selenium diatomic cation

se2+

393

Te₂

Tellurium diatomic

te2

394

NaOH

sodium hydroxide

naoh

395

KOH

Potassium hydroxide

koh

396

MgOH

magnesium hydroxide

mgoh

397

CaOH

Calcium monohydroxide

caoh

398

HBS

hydrogen boron sulfide

hbs

399

HCO

Formyl radical

hco

400

HCO⁺

Formyl cation

hco+

401

HCS

Thioformyl radical

hcs

402

HCS^-

Thioformyl anion

hcs-

403

HCS⁺

Thioformyl cation

hcs+

404

HNO

Nitrosyl hydride

hno

405

HNO^-

Nitrosyl hydride anion

hno-

406

HNS

Sulfur imide

hns

407

HNS^-

Sulfur imide anion

hns-

408

HO₂^-

Hydroperoxy anion

ho2-

409

SOH

Sulfur Hydroxide

soh

410

HS₂

Thiosulfeno radical

hs2

411

H₂CO

Formaldehyde

h2co

412

HOCH

hydroxycarbene

hoch

413

H₂CS^-

thioformaldehyde anion

h2cs-

414

H₂CS⁺

thioformaldehyde cation

h2cs+

415

H₂CSe

Selenoformaldehyde

h2cse

416

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

417

H₂OO

water oxide

h2oo

418

HOSH

hydrogen thioperoxide

hosh

419

H₂Se₂

hydrogen diselenide

h2se2

420

CH₂OH⁺

hydroxymethyl cation

ch2oh+

421

CH₃O

Methoxy radical

ch3o

422

CH₃O^-

methoxy anion

ch3o-

423

CH₃S

thiomethoxy

ch3s

424

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

425

NH₃O

Ammonia Oxide

nh3o

426

H₂POH

Phosphinous acid

h2poh

427

H₃PO

Phosphine oxide

h3po

428

NH₂SH

Thiohydroxylamine

nh2sh

429

NH₃S

sulfidoazane

nh3s

430

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

431

CH₃OH

Methyl alcohol

ch3oh

432

CH₃OH⁺

Methyl alcohol cation

ch3oh+

433

SiH₃OH

silanol

sih3oh

434

CH₃SeH

Methane selenol

ch3seh

435

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

436

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

437

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

438

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

439

H₂ONH₃

Water Ammonia Dimer

h2onh3

440

H₅O₂⁺

Dihydroxonium ion

h5o2+

441

LiF

lithium fluoride

lif

442

LiCl^-

lithium chloride anion

licl-

443

LiCl⁺

lithium chloride cation

licl+

444

NaF^-

sodium fluoride anion

naf-

445

NaF⁺

sodium fluoride cation

naf+

446

Potassium Fluoride

447

NaCl^-

sodium chloride anion

nacl-

448

NaCl⁺

sodium chloride cation

nacl+

449

KCl

Potassium Chloride

kcl

450

CuF

Copper monofluoride

cuf

451

LiBr

Lithium Bromide

libr

452

LiBr^-

lithium bromide anion

libr-

453

LiBr⁺

lithium bromide cation

libr+

454

CuCl

Copper monochloride

cucl

455

NaBr

Sodium Bromide

nabr

456

NaBr^-

sodium bromide anion

nabr-

457

NaBr⁺

sodium bromide cation

nabr+

458

KBr

Potassium Bromide

kbr

459

LiI

Lithium Iodide

lii

460

NaI

Sodium Iodide

nai

461

Potassium Iodide

462

LiF^-

lithium fluoride anion

lif-

463

LiF⁺

lithium fluoride cation

lif+

464

BeF

Beryllium monofluoride

bef

465

BeF^-

Beryllium monofluoride anion

bef-

466

BeF⁺

Beryllium monofluoride cation

bef+

467

BeCl

beryllium monochloride

becl

468

MgF

Magnesium monofluoride

mgf

469

MgF^-

magnesium fluoride anion

mgf-

470

CaF

Calcium monofluoride

caf

471

MgCl

magnesium monochloride

mgcl

472

MgCl^-

magnesium monochloride anion

mgcl-

473

MgCl⁺

magnesium monochloride cation

mgcl+

474

CaCl

calcium monochloride

cacl

475

TiCl

Titanium Monochloride

ticl

476

ZnF^-

Zinc monofluoride anion

znf-

477

ZnF⁺

Zinc monofluoride cation

znf+

478

ZnCl

Zinc monochloride

zncl

479

CaBr

Calcium monobromide

cabr

480

BeCl^-

beryllium monochloride anion

becl-

481

BeCl⁺

beryllium monochloride cation

becl+

482

Boron monofluoride

483

BF^-

Boron monofluoride anion

bf-

484

BF⁺

Boron monofluoride cation

bf+

485

AlF

Aluminum monofluoride

alf

486

AlF^-

Aluminum monofluoride anion

alf-

487

AlF⁺

Aluminum monofluoride cation

alf+

488

BCl

boron monochloride

bcl

489

BCl^-

boron monochloride anion

bcl-

490

BCl⁺

boron monochloride cation

bcl+

491

AlCl

Aluminum monochloride

alcl

492

AlCl^-

aluminum monochloride anion

alcl-

493

AlCl⁺

aluminum monochloride cation

alcl+

494

BBr

Boron monobromide

bbr

495

GaF

Gallium monofluoride

gaf

496

AlBr

Aluminum monobromide

albr

497

GaCl

Gallium monochloride

gacl

498

AlI

Aluminum monoiodide

ali

499

GaBr

Gallium monobromide

gabr

500

CF^-

carbon monofluoride anion

cf-

501

CF⁺

carbon monofluoride cation

cf+

502

CCl

carbon monochloride

ccl

503

CCl^-

carbon monochloride anion

ccl-

504

CCl⁺

carbon monochloride cation

ccl+

505

SiF^-

silicon monofluoride anion

sif-

506

SiCl

Clorosilylidyne

sicl

507

SiCl^-

silicon monochloride anion

sicl-

508

SiCl⁺

silicon monochloride cation

sicl+

509

GeF

Germanium monofluoride

gef

510

GeF⁺

Germanium monofluoride cation

gef+

511

GeCl

Germanium monochloride

gecl

512

GeCl⁺

Germanium monochloride cation

gecl+

513

SiBr

Silicon monobromide

sibr

514

SiBr⁺

Silicon monobromide cation

sibr+

515

nitrogen fluoride

516

NF^-

nitrogen monofluorine anion

nf-

517

NF⁺

nitrogen monofluoirde cation

nf+

518

NCl^-

nitrogen monochloride anion

ncl-

519

NCl⁺

nitrogen monochloride cation

ncl+

520

phosphorus monofluoride

521

PF^-

phosphorus monofluoride anion

pf-

522

PF⁺

phosphorus monofluoride cation

pf+

523

PCl

phosphorus chloride

pcl

524

PCl^-

phosphorus monochloride anion

pcl-

525

PCl⁺

phosphorus monochloride cation

pcl+

526

NBr

nitrogen monobromide

nbr

527

PBr

Phosphorus monobromide

pbr

528

SbF

Antimony monofluoride

sbf

529

SbCl

Antimony monochloride

sbcl

530

FO^-

flourine oxide anion

fo-

531

FO⁺

fluorine monoxide cation

fo+

532

ClO

Monochlorine monoxide

clo

533

ClO^-

chlorine monoxide anion

clo-

534

ClO⁺

chlorine monoxide cation

clo+

535

SF^-

sulfur monofluoride anion

sf-

536

SF⁺

sulfur monofluoride cation

sf+

537

SCl

sulfur monochloride

scl

538

SCl^-

sulfur monochloride anion

scl-

539

SCl⁺

sulfur monochloride cation

scl+

540

BrO

Bromine monoxide

bro

541

BrO^-

Bromine monoxide anion

bro-

542

BrO⁺

Bromine monoxide cation

bro+

543

SBr

Sulfur monobromide radical

sbr

544

SBr⁺

Sulfur monobromide cation

sbr+

545

Iodine monoxide

546

SeBr

Selenium monobromide

sebr

547

BrCl

Bromine monochloride

brcl

548

ClF^-

clorine monofluoride anion

clf-

549

ClF⁺

clorine monofluoride cation

clf+

550

Cl₂^-

chlorine diatomic anion

cl2-

551

BrF

Bromine monofluoride

brf

552

BrF^-

bromine fluoride anion

brf-

553

BrF⁺

bromine fluoride cation

brf+

554

BrCl^-

bromine chloride anion

brcl-

555

BrCl⁺

bromine chloride cation

brcl+

556

Iodine monofluoride

557

Br₂

Bromine diatomic

br2

558

Br₂^-

bromine diatomic anion

br2-

559

Br₂⁺

bromine diatomic cation

br2+

560

ICl

Iodine monochloride

icl

561

IBr

Iodine monobromide

ibr

562

I₂

Iodine diatomic

563

I₂⁺

Iodine diatomic cation

i2+

564

HCCl

Chloromethylene

hccl

565

HSiF

fluorosilylene

hsif

566

HSiCl

Chlorosilylene

hsicl

567

HSiBr

monobromosilylene

hsibr

568

CHBr

bromomethylene

chbr

569

HOF

Hypofluorous acid

hfo

570

DOCl

Hypochlorous acid-d

docl

571

HOCl

hypochlorous acid

hocl

572

HOBr

Hypobromous acid

hobr

573

HOBr⁺

Hypobromous acid cation

hobr+

574

HOI

Hypoiodous acid

hoi

575

F₂H⁺

Fluorine, protonated

f2h+

576

FHF

Hydrogen difluoride

fhf

577

FHF^-

Hydrogen difluoride anion

fhf-

578

Cl₂H⁺

Chlorine, protonated

cl2h+

579

CH₂Br

bromomethyl radical

ch2br

580

CH₂F⁺

fluoromethyl cation

ch2f+

581

CH₂Cl⁺

chloromethyl cation

ch2cl+

582

CH₂Cl

chloromethyl radical

ch2cl

583

NH₂F

monofluoroamine

nh2f

584

NH₂Cl

chloramine

nh2cl

585

H₂F₂

Hydrogen fluoride dimer

h2f2

586

CH₃F⁺

methyl fluoride cation

ch3f+

587

CD₃F

methylfluoride-d3

cd3f

588

CD₃Cl

methyl chloride d3

cd3cl

589

CH₃Cl⁺

Methyl chloride cation

ch3cl+

590

SiH₃F

monofluorosilane

sih3f

591

SiH₃Cl

chlorosilane

sih3cl

592

CH₃Br

methyl bromide

ch3br

593

GeH₃F

monofluorogermane

geh3f

594

GeH₃Cl

monochlorogermane

geh3cl

595

SiH₃Br

bromosilane

sih3br

596

CH₃I

methyl iodide

ch3i

597

SiH₃I

Silyl Iodide

sih3i

598

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

599

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

600

NH₄Cl

Ammonium chloride

nh4cl

601

Ne₂

Neon diatomic

ne2

602

C₃⁺

carbon trimer cation

c3+

603

SiC₂

Silicon dicarbide

sic2

604

C₃H₃

Propargyl radical

propargyl

605

C₃H₃^-

Propargyl anion

c3h3-

606

C₃H₃⁺

cyclopropenyl cation

cpr+

607

C₃H₃⁺

Propargyl cation

c3h3+

608

C₃H₄

cyclopropene

cprop

609

CH₂CCH₂

allene

610

CH₃CCH

propyne

611

C₃H₅⁺

Allyl cation

allyl+

612

CH₃CHCH

1-propenyl radical

ch3chch

613

Zn(CH₃)₂

dimethyl zinc

dmz

614

C₃H₆

Cyclopropane

c3h6

615

CH₂CHCH₃

Propene

propene

616

C₃H₇

n-Propyl radical

npropyl

617

C₃H₇⁺

cyclopropane, protonated

c3h7+

618

CH₃CHCH₃

Isopropyl radical

isopropyl

619

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

620

C₃H₈

Propane

propane

621

SiH₂(CH₃)₂

dimethylsilane

dms

622

Si₃H₈

trisilane

si3h8

623

KCN

Potassium cyanide

kcn

624

CuCN

Copper cyanide

cucn

625

ZnCN

Zinc monocyanide

zncn

626

ZnNC

Zinc isocyanide

znnc

627

AlCN

Aluminum monocyanide

alcn

628

AlNC

Aluminum isocyanide

alnc

629

CN₂

3H-Diazirin-3-ylidene

cn2

630

CNN

Diazocarbene

cnn

631

NCN

Cyanoimidogen

ncn

632

N₃^-

azide anion

n3-

633

HCNN

diazomethyl radical

hcnn

634

HN₃

hydrogen azide

hn3

635

HN₃⁺

Hydrazoic acid cation

hn3+

636

HNCNH

diiminomethane

hncnh

637

CH₂N₂

diazirine

ch2n2

638

CH₂NN

diazomethane

ch2nn

639

HNNNH⁺

1,2-Triazadienium

n2h3+

640

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

641

CH₃CN

Acetonitrile

ch3cn

642

CH₃CN^-

acetonitrile anion

ch3cn-

643

CH₃CN⁺

Acetonitrile cation

ch3cn+

644

CH₃NC

methyl isocyanide

ch3nc

645

CHNCH₂

2H-Azirine

c157164

646

CHNHCH

1H-Azirine

chnhch

647

H₂CCNH

Ethenimine

ch2cnh

648

H₂CNCH

methyleneaminomethylene

ch2nch

649

HCCNH₂

Ethynamine

hccnh2

650

HCNCH₂⁺

2H-Azirine cation

hcnch2+

651

NCNH₃⁺

Cyanamide, protonated

ncnh3+

652

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

653

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

654

CH₃CHN

methylmethaniminyl radical

ch3chn

655

NHCHNH₂

aminomethanimine

cn2h4

656

C₂H₅N

Aziridine

c2h5n

657

CH₂CHNH₂

aminoethene

658

CH₂NCH₃

N-methylmethanimine

nmm

659

CH₃CHNH

ethanimine

660

NH₂BHNH₂

diaminoborane

nh2bhnh2

661

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

662

C₂H₆N⁺

aziridine, protonated

c2h6n+

663

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

664

CH₃CH₂NH₂

Ethylamine

etam

665

CH₃NHCH₃

Dimethylamine

ch3nhch3

666

CH₃PHCH₃

dimethylphosphine

ch3phch3

667

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

668

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

669

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

670

Li₂O⁺

dilithium oxide cation

li2o+

671

Na₂S

Sodium sulfide

na2s

672

LiO₂

Lithium dioxide

lio2

673

NaO₂

Sodium superoxide

nao2

674

CNO^-

fulminate

cno-

675

NCO^-

cyanate

nco-

676

SCN

thiocyanato radical

scn

677

SCN^-

thiocyanide anion

scn-

678

BO₂

Boron dioxide

bo2

679

BO₂^-

Boron dioxide anion

bo2-

680

BO₂⁺

Boron dioxide cation

bo2+

681

N₂O⁺

Nitrous oxide cation

n2o+

682

NNS

Nitrogen sulfide

nns

683

PPO

Phosphorus oxide phosphide

ppo

684

CO₂

Carbon dioxide

co2

685

CO₂^-

Carbon dioxide anion

co2-

686

CO₂⁺

Carbon dioxide cation

co2+

687

OCS⁺

Carbonyl sulfide cation

cos+

688

SiO₂

silicon dioxide

sio2

689

CS₂

Carbon disulfide

cs2

690

CS₂^-

Carbon disulfide anion

cs2-

691

CS₂⁺

Carbon disulfide cation

cs2+

692

TiO₂

Titanium dioxide

tio2

693

GeO₂

Germanium dioxide

geo2

694

OCSe

Carbonyl selenide

ocse

695

SCSe

Carbon sulfide selenide

scse

696

GeS₂

Germanium disulfide

ges2

697

CSe₂

Carbon diselenide

cse2

698

SCTe

Carbon sulfide Telluride

scte

699

NO₂^-

Nitrogen dioxide anion

no2-

700

NSO

sulfinyl amidogen

NSO

701

PO₂

Phosphorus dioxide

po2

702

PO₂^-

Phosphorus dioxide anion

po2-

703

PO₂⁺

Phosphorus dioxide cation

po2+

704

SNO

Nitrogen oxide sulfide

sno

705

AsO₂

Aresenic dioxide

aso2

706

O₃^-

Ozone anion

o3-

707

O₃⁺

Ozone cation

o3+

708

SO₂

Sulfur dioxide

so2

709

SO₂^-

Sulfur dioxide anion

so2-

710

SO₂⁺

Sulfur dioxide cation

so2+

711

SSO

Disulfur monoxide

sso

712

S₃^-

Sulfur trimer anion

s3-

713

SeO₂

Selenium dioxide

seo2

714

SeO₂⁺

Selenium dioxide cation

seo2+

715

TeO₂

Tellurium Dioxide

teo2

716

HCCO

ketenyl radical

ketenyl

717

CS₂H⁺

Carbon disulfide, protonated

cs2h+

718

HNCO

Isocyanic acid

hnco

719

HOCN

cyanic acid

hocn

720

HNCS

Isothiocyanic acid

hncs

721

HSCN

thiocyanic acid

hscn

722

HCO₂^-

formate anion

hco2-

723

HNNO

nitrosoazane

hnno

724

HCOO

formate neutral radical

hcoo

725

HOCO

Hydrocarboxyl radical

hoco

726

HOCO⁺

Hydrocarboxyl cation

hoco+

727

HNO₂

Nitrous acid

hno2

728

HNO₂⁺

nitrous acid cation

hno2+

729

SO₂H⁺

protonated sulfur dioxide

so2h+

730

C₂H₂O

Oxirene

oxirene

731

CH₂CO

Ketene

ch2co

732

CH₂CO⁺

Ketene cation

ch2co+

733

HCCOH

ethynol

hccoh

734

CH₂CS

Thioketene

ch2cs

735

Be(OH)₂

Beryllium hydroxide

beo2h2

736

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

737

NH₂NO

Nitrosamide

nh2no

738

CH₂O₂

Dioxirane

diox

739

H₂O₃

Hydrogen trioxide

h2o3

740

HSSSH

trisulfane

hsssh

741

NaOCH₃

Sodium methoxide

naoch3

742

CH₂CHO

Vinyloxy radical

ch2cho

743

CH₂COH⁺

ketene, protonated

ch2coh+

744

CH₃CO

Acetyl radical

ch3co

745

CH₃CO^-

Acetyl anion

ch3co-

746

CH₃CO⁺

acetyl cation

ch3co+

747

CH₂NOH

formaldoxime

ch2noh

748

CHONH₂

formamide

749

CNOH₃

1,2-oxaziridine

cnoh3

750

HOCHNH

hydroxymethylimine

hochnh

751

CHSNH₂

thioformamide

chsnh2

752

NHCHSH

Methanimidothioic acid

nhchsh

753

CH₂OOH

CH2OOH radical

ch2ooh

754

CH₃OO

methylperoxy radical

ch3oo

755

CH₃OO^-

methylperoxy anion

ch3oo-

756

CH₃OO⁺

methylperoxy cation

ch3oo+

757

C₂H₄O

Ethylene oxide

c2h4o

758

C₂H₄O⁺

ethylene oxide cation

c2h4o+

759

CH₂CHOH

ethenol

ch2choh

760

CH₃CHO

Acetaldehyde

ch3cho

761

CH₃CHO⁺

acetaldehyde cation

ch3cho+

762

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

763

C₂H₄S

Thiirane

thiirane

764

CH₂CHSH

Ethenethiol

ch2chsh

765

CH₃CHS

Thioacetaldehyde

ch3chs

766

H₂CONH₂⁺

protonated formamide

h2conh2+

767

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

768

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

769

CH₂(OH)₂

methanediol

ch2o2h2

770

CH₃OOH

Methyl peroxide

ch3ooh

771

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

772

HSCH₂SH

Methanedithiol

ch4s2

773

H₂OH₂CO

water formaldehyde dimer

h2oh2co

774

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

775

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

776

CH₃CH₂O

Ethoxy radical

ethoxy

777

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

778

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

779

CH₃OCH₂

methoxymethyl radical

ch3och2

780

NH₂CH₂OH

aminomethanol

nh2ch2oh

781

CH₃CH₂OH

Ethanol

etoh

782

CH₃OCH₃

Dimethyl ether

meome

783

CH₃CH₂SH

ethanethiol

etsh

784

CH₃SCH₃

Dimethyl sulfide

mesme

785

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

786

CH₃SeCH₃

dimethylselenide

dmse

787

CH₃OHH₂O

methanol water dimer

ch3ohh2o

788

H₂OCH₃OH

water methanol dimer

h2och3oh

789

CuF₂

Copper difluoride

cuf2

790

ZnF₂

Zinc difluoride

znf2

791

FCN

Cyanogen fluoride

fcn

792

ClCN

chlorocyanogen

clcn

793

BrCN

Cyanogen bromide

brcn

794

ICN

Cyanogen iodide

icn

795

FBO

Boron monofluoride monoxide

fbo

796

BeF₂

Beryllium fluoride

bef2

797

MgF₂

Magnesium fluoride

mgf2

798

BeCl₂

Beryllium chloride

becl2

799

MgCl₂

Magnesium dichloride

mgcl2

800

CaCl₂

Calcium Chloride

cacl2

801

ZnCl₂

Zinc dichloride

zncl2

802

BeBr₂

Beryllium bromide

bebr2

803

CaBr₂

Calcium dibromide

cabr2

804

CaF₂

Calcium difluoride

caf2

805

FNO

Nitrosyl fluoride

fno

806

ClNO

Nitrosyl chloride

clno

807

FNS

Thionitrosyl fluoride

fns

808

OPCl

Phosphorus oxychloride

opcl

809

BrNO

Nitrosyl bromide

brno

810

INO

Nitrosyl iodide

ino

811

CF₂^-

Difluoromethylene anion

cf2-

812

CF₂⁺

Difluoromethylene cation

cf2+

813

CFCl

chlorofluoromethylene

cfcl

814

SiF₂

Silicon difluoride

sif2

815

SiF₂⁺

Silicon difluoride cation

sif2+

816

CCl₂

dichloromethylene

ccl2

817

CCl₂^-

dichloromethylene anion

ccl2-

818

CCl₂⁺

dichloromethylene cation

ccl2+

819

SiCl₂

Dichlorosilylene

sicl2

820

GeF₂

Germanium difluoride

gef2

821

GeCl₂

Germanium dichloride

gecl2

822

CBr₂

dibromomethylene

cbr2

823

FOO

Dioxygen monofluoride radical

foo

824

FOO⁺

Fluorine dioxide cation

foo+

825

ClOO

chloroperoxy radical

cloo

826

ClOO⁺

chloroperoxy cation

cloo+

827

OClO

Chlorine dioxide

oclo

828

OClO⁺

Chlorine dioxide cation

oclo+

829

ClSO

Sulfur chloride oxide

clso

830

ClS₂

Sulfur chloride

cls2

831

BrOO

Bromine dioxide

broo

832

OBrO

Bromine dioxide radical

obro

833

NF₂

Difluoroamino radical

nf2

834

NF₂⁺

Difluoroamino cation

nf2+

835

PF₂

Phosphorus difluoride

pf2

836

PF₂⁺

Phosphorus difluoride cation

pf2+

837

FClO

chlorosyl fluoride

fclo

838

F₂O

Difluorine monoxide

f2o

839

ClOF

Chlorine hypofluorite

clof

840

SF₂

sulfur difluoride

sf2

841

SF₂^-

sulfur difluoride anion

sf2-

842

SF₂⁺

sulfur difluoride cation

sf2+

843

Cl₂O

Dichlorine monoxide

cl2o

844

SCl₂

Sulfur dichloride

scl2

845

SeF₂

Selenium difluoride

sef2

846

BrOCl

Bromine hypochlorite

brocl

847

SeCl₂

Selenium Dichloride

secl2

848

SBr₂

Sulfur dibromide

sbr2

849

SeBr₂

Selenium dibromide

sebr2

850

BrOBr

Bromine oxide

brobr

851

F₃^-

trifluoride anion

f3-

852

Cl₃^-

trichloride anion

cl3-

853

Br₃^-

tribromide anion

br3-

854

I₃^-

triiodide

i3-

855

SFCl

Sulfur chloride fluoride

sfcl

856

HCCF

Fluoroacetylene

hccf

857

HCCF⁺

fluoroacetylene cation

hccf+

858

HCCCl

Chloroacetylene

hcccl

859

HCCBr

bromoacetylene

hccbr

860

HFCO

formyl fluoride

hfco

861

COHCl

Formyl chloride

cohcl

862

COHBr

Formyl bromide

cohbr

863

BHF₂

Difluoroborane

bhf2

864

BHCl₂

Borane, dichloro-

bhcl2

865

CHCl₂

dichloromethyl radical

chcl2

866

CHF₂

difluoromethyl radical

chf2

867

CHF₂⁺

difluoromethyl cation

chf2+

868

CHFCl

Chlorofluoromethyl radical

chfcl

869

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

870

CHCl₂⁺

dichloromethyl cation

chcl2+

871

CHBr₂

dibromomethyl radical

chbr2

872

HOClO

Chlorous acid

hoclo

873

NHF₂

difluoramine

nhf2

874

NHCl₂

dichloroamine

nhcl2

875

CH₂F₂

Methane, difluoro-

ch2f2

876

CH₂FCl

fluorochloromethane

ch2fcl

877

SiH₂F₂

difluorosilane

sih2f2

878

CH₂Cl₂

Methylene chloride

ch2cl2

879

CH₂BrF

Methane, bromofluoro-

ch2fbr

880

CH₂BrCl

Methane, bromochloro-

ch2clbr

881

CH₂FI

fluoroiodomethane

ch2fi

882

CH₂Br₂

dibromomethane

ch2br2

883

CH₂ClI

chloroiodomethane

ch2cli

884

CH₂BrI

bromoiodomethane

ch2bri

885

CH₂I₂

Diiodomethane

ch2i2

886

SiH₂Cl₂

dichlorosilane

sih2cl2

887

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

888

CH₂CHF

Ethene, fluoro-

ch2chf

889

CH₂CHF⁺

fluoroethene cation

ch2chf+

890

C₂H₃Cl

Ethene, chloro-

ch2chcl

891

C₂H₃Br

vinyl bromide

c2h3br

892

C₂H₃I

Vinyl iodide

c2h3i

893

CH₂FOH

fluoromethanol

ch2foh

894

CH₃OCl

methyl hypochlorite

ch3ocl

895

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

896

CHClCH₃

1-chloroethyl radical

chclch3

897

C₂H₅F

fluoroethane

c2h5f

898

CH₃CH₂Cl

Ethyl chloride

c2h5cl

899

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

900

C₂H₅Br

Ethyl bromide

etbr

901

C₂H₅I

Ethyl iodide

c2h5i

902

KrF₂

Krypton difluoride

krf2

903

XeF₂

Xenon difluoride

xef2

904

B₄H₁₀

Tetraborane(10)

b4h10

905

C₄

Carbon tetramer

906

C₄⁺

Carbon tetramer cation

c4+

907

C₄H₂

Diacetylene

c4h2

908

C₄H₂⁺

diacetlyene cation

c4h2+

909

C₂H₃CCH

1-Buten-3-yne

c2h3cch

910

C₄H₄

cyclobutadiene

cbd

911

C₄H₄

Tetrahedrane

c4h4

912

H₂CCCCH₂

Butatriene

h2cccch2

913

C₄H₆

1-Methylcyclopropene

c3100047

914

C₄H₆

Cyclobutene

c822355

915

C₄H₆

Methylenecyclopropane

c6142730

916

CH₂CCHCH₃

1,2-Butadiene

butad12

917

CH₂CHCHCH₂

1,3-Butadiene

c106990

918

CH₃CCCH₃

2-Butyne

c503173

919

CHCCH₂CH₃

1-Butyne

c107006

920

CH₃CHCHCH₂

methylallyl radical

c4h7

921

C₄H₈

methylcyclopropane

mcp

922

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

923

CH₂CHCH₂CH₃

1-Butene

bute1

924

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

925

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

926

B(CH₃)₃

trimethylborane

bme3

927

Al(CH₃)₃

trimethyl aluminum

tma

928

C(CH₃)₃

Tert-butyl radical

tbutyl

929

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

930

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

931

CH₃CH(CH₃)CH₃

Isobutane

isobutane

932

CH₃CH₂CH₂CH₃

Butane

butane

933

SiH(CH₃)₃

trimethylsilane

trimsi

934

C₂N₂⁺

Cyanogen cation

c2n2+

935

P₄

Phosphorus tetramer

936

As₄

Arsenic tetramer

as4

937

HCCCN

Cyanoacetylene

hcccn

938

HCCCN⁺

Cyanoacetylene cation

hcccn+

939

H₂CNCN

cyanamide, methylene

ch2ncn

940

HNCCNH

Ethenediimine

hnccnh

941

C₃H₃N

acrylonitrile

ch2chcn

942

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

943

CH₃N₃

methyl azide

ch3n3

944

NH₂CCNH₂

Diaminoacetylene

daa

945

NH₂CH₂CN

Aminoacetonitrile

aan

946

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

947

C₂H₅CN

ethyl cyanide

c2h5cn

948

CH₅N₃

Guanidine

guanidine

949

C₄H₆

Bicyclo[1.1.0]butane

c157335

950

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

951

H₂NCHCHNH₂

diaminoethylene

dae

952

CH₆N₃⁺

guanidinium

ch6n3+

953

C₃H₇N

Cyclopropylamine

cpram

954

CH₇N₃

triaminomethane

tam

955

C₃H₇N

Azetidine

azet

956

C₂H₈N₂

Ethylenediamine

ethdiam

957

CH₃NHNHCH₃

dimethyl hydrazine

dmh

958

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

959

N(CH₃)₃

Trimethylamine

trimeam

960

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

961

P(CH₃)₃

trimethylphosphine

tmp

962

N(SiH₃)₃

trisilylamine

tsa

963

As(CH₃)₃

trimethyl arsine

tmas

964

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

965

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

966

Li₂O₂

dilithium dioxide

li2o2

967

Na₂O₂

disodium dioxide

na2o2

968

K₂O₂

dipotassium dioxide

k2o2

969

B₂O₂

Diboron dioxide

b2o2

970

S₂N₂

Disulfur dinitride

s2n2

971

CO₃

Carbon trioxide

co3

972

CO₃^--

carbonate

co3--

973

CS₃^--

Carbonotrithioate

cs3--

974

NO₃

Nitrogen trioxide

no3

975

NO₃^-

nitrate anion

no3-

976

NO₃⁺

nitrogen trioxide cation

no3+

977

SO₃

Sulfur trioxide

so3

978

SO₃^-

Sulfur trioxide anion

so3-

979

SO₃^--

Sulfate dianion

so3--

980

SO₃⁺

Sulfur trioxide cation

so3+

981

SeO₃

selenium trioxide

seo3

982

S₄

Sulfur tetramer

983

TeO₃

Tellurium trioxide

teo3

984

HCO₃^-

bicarbonate anion

hco3-

985

HNO₃

Nitric acid

hno3

986

HSO₃

Hydroxysulfonyl radical

hso3

987

NH₂NO₂

nitramide

nh2no2

988

C₂H₂CO

cyclopropenone

c2h2co

989

C₃H₂O

Propadienal

c3h2o

990

HCCCHO

2-propynal

hcccho

991

C₂H₂O₂

Ethanedial

c2h2o2

992

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

993

H₂CO₃

Carbonic acid

h2co3

994

H₂CS₃

thiocarbonic acid

h2cs3

995

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

996

H₂SO₃

Sulfurous acid

h2so3

997

C₂H₃NO

Nitrosoethylene

c2h3no

998

CH₃NCO

methylisocyante

ch3nco

999

HOCH₂CN

cyanomethanol

hoch2cn

1000

CH₃COO^-

acetate anion

ch3coo-

1001

CH₃NO₂

Methane, nitro-

ch3no2

1002

CH₃ONO

Methyl nitrite

ch3ono

1003

NH₂COOH

Carbamic acid

nh2cooh

1004

H₃BO₃

Boric acid

h3bo3

1005

H₃AlO₃

Aluminum hydroxide

h3alo3

1006

H₃CO₃⁺

carbonic acid, protonated

h3co3+

1007

C₃H₄O

2-Propyn-1-ol

c107197

1008

C₃H₄O

allenol

c9000071

1009

C₃H₄O

Cyclopropanone

cpone

1010

C₃H₄O

Methylketene

c6004440

1011

CH₂CHCHO

Acrolein

c3h4o

1012

NH₂CONH₂⁺

Urea cation

urea+

1013

NH₂CSNH₂

Thiourea

thiourea

1014

C₂H₄O₂

1,3-dioxetane

c2h4o2

1015

CH₃COOH

Acetic acid

ch3cooh

1016

CH₃OCHO

methyl formate

ch3ocho

1017

CHOCH₂OH

hydroxy acetaldehyde

haa

1018

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

1019

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

1020

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

1021

HCOOHH₂O

Formic acid water dimer

hcoohh2o

1022

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

1023

CH₃COCH₂

Acetonyl radical

ch3coch2

1024

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

1025

CH₃C(OH)=NH

Ethaninidic acid

eia

1026

CH₃CHNOH

Acetaldoxime

acetaldoxime

1027

CH₃CONH₂

Acetamide

acetamide

1028

HCONHCH₃

N-methylformamide

nmfa

1029

CH₃CSNH₂

Ethanethioamide

ch3csnh2

1030

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

1031

H₂NCOHNH₂⁺

urea, protonated

ureah+

1032

C₂H₅OO

ethylperoxy radical

c2h5oo

1033

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1034

C₃H₅OH

Cyclopropanol

cproh

1035

C₃H₆O

2-Propen-1-ol

c107186

1036

C₃H₆O

Acetone enol

enol

1037

C₃H₆O

Oxetane

oxetane

1038

C₃H₆O

Propylene oxide

prox

1039

CH₃CH₂CHO

Propanal

propanal

1040

CH₃COCH₃

Acetone

acetone

1041

CH₃COCH₃^-

acetone anion

ch3coch3-

1042

C₃H₆S

Thietane

thietane

1043

C₃H₆S

Thiirane, methyl-

methiirane

1044

CH₃CSCH₃

Thioacetone

ch3csch3

1045

C₂H₆O₂

1,2-Ethanediol

ethdiol

1046

CH₃OOCH₃

dimethylperoxide

dmp

1047

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1048

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1049

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1050

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1051

HOCH₂CH₂NH₂

monoethanolamine

mea

1052

C₃H₇OH

1-Propanol

proh

1053

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1054

CH₃OC₂H₅

Ethane, methoxy-

etome

1055

C₃H₇SH

1-Propanethiol

prsh

1056

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1057

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1058

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1059

Li₂F₂

Lithium fluoride dimer

li2f2

1060

Na₂F₂

Sodium Fluoride Dimer

na2f2

1061

Na₂Cl₂

Disodium dichloride

na2cl2

1062

C₂F₂

difluoroacetylene

c2f2

1063

C₂Cl₂

dichloroacetylene

c2cl2

1064

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1065

FNO₂

Nitryl fluoride

fno2

1066

FONO

Nitrosyl hypofluorite

fono

1067

ClNO₂

Nitryl chloride

clno2

1068

ClONO

chlorine nitrite

clono

1069

BrONO

Bromine nitrite

brono

1070

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1071

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1072

CF₂O

Carbonic difluoride

f2co

1073

CF₂O⁺

Carbonic difluoride cation

f2co+

1074

COFCl

Carbonic chloride fluoride

cofcl

1075

CCl₂O

Phosgene

cl2co

1076

Cl₂CS

Thiophosgene

cl2cs

1077

COBr₂

Carbonic dibromide

cobr2

1078

BF₃

Borane, trifluoro-

bf3

1079

BF₃^-

Borane, trifluoro- anion

bf3-

1080

BF₃⁺

boron trifluoride cation

bf3+

1081

AlF₃

Aluminum trifluoride

alf3

1082

BClF₂

Chlorodifluoroborane

bclf2

1083

AlF₂Cl

Aluminum chloride difluoride

alclf2

1084

ScF₃

Scandium trifluoride

ScF3

1085

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1086

BCl₃

Borane, trichloro-

bcl3

1087

BCl₃⁺

Boron Trichloride cation

bcl3+

1088

GaF₃

Gallium trifluoride

gaf3

1089

AlCl₃

Aluminum trichloride

alcl3

1090

GaCl₃

Gallium trichloride

gacl3

1091

BBr₃

Boron tribromide

bbr3

1092

AlBr₃

Aluminum Bromide

albr3

1093

ClO₃

Chlorine trioxide

clo3

1094

ClO₃^-

chlorate anion

clo3-

1095

BrO₃^-

Bromate anion

bro3-

1096

CF₃

Trifluoromethyl radical

cf3

1097

CF₃^-

Trifluoromethyl anion

cf3-

1098

CF₃⁺

Trifluoromethyl cation

cf3+

1099

CF₂Cl

difluorochloromethyl radical

cf2cl

1100

SiF₃

Silicon trifluoride radical

sif3

1101

SiF₃⁺

Silicon trifluoride cation

sif3+

1102

CFCl₂

dichlorofluoromethyl radical

cfcl2

1103

CCl₃

Trichloromethyl radical

ccl3

1104

CCl₃^-

Trichloromethyl anion

ccl3-

1105

CCl₃⁺

Trichloromethyl cation

ccl3+

1106

SiCl₃

trichlorosilyl radical

sicl3

1107

SiCl₃⁺

trichlorosilyl cation

sicl3+

1108

CBr₃

tribromomethyl radical

cbr3

1109

FOOF

Perfluoroperoxide

foof

1110

ClO₂F

Chloryl fluoride

clo2f

1111

F₂SO

Thionyl Fluoride

f2so

1112

ClOOCl

Dichlorine dioxide

cloocl

1113

FSSF

Difluorodisulfane

fssf

1114

S₂F₂

Thio-thionyl fluoride

s2f2

1115

SOCl₂

thionyl chloride

socl2

1116

SSCl₂

Thiothionyl chloride

sscl2

1117

SeOCl₂

selenium oxychloride

seocl2

1118

NF₃

Nitrogen trifluoride

nf3

1119

NF₃^-

Nitrogen trifluoride anion

nf3-

1120

NF₃⁺

Nitrogen trifluoride cation

nf3+

1121

PF₃

Phosphorus trifluoride

pf3

1122

NCl₃

nitrogen trichloride

ncl3

1123

AsF₃

Arsenic trifluoride

asf3

1124

PCl₃

Phosphorus trichloride

pcl3

1125

SbF₃

Antimony Trifluoride

sbf3

1126

AsCl₃

Arsenous trichloride

ascl3

1127

SbCl₃

Antimony Trichloride

sbcl3

1128

NBr₃

Nitrogen Tribromide

nbr3

1129

PBr₃

Phosphorus tribromide

pbr3

1130

AsBr₃

Arsenic tribromide

asbr3

1131

NI₃

Nitrogen triiodide

ni3

1132

PI₃

Phosphorus triiodide

pi3

1133

ClSSCl

Disulfur dichloride

s2cl2

1134

SF₃

Sulfur trifluoride

sf3

1135

ClF₃

Chlorine trifluoride

clf3

1136

BrF₃

Bromine trifluoride

brf3

1137

IF₃

iodone trifluoride

if3

1138

HClO₃

Chloric Acid

hclo3

1139

CHF₃

Methane, trifluoro-

chf3

1140

CHF₂Cl

difluorochloromethane

chf2cl

1141

SiHF₃

trifluorosilane

sihf3

1142

CHFCl₂

fluorodichloromethane

chfcl2

1143

CDCl₃

trichloromethane-d

cdcl3

1144

CHCl₃

Chloroform

chcl3

1145

CHBrF₂

Methane, bromodifluoro-

chbrf2

1146

SiHCl₃

Trichlorosilane

sihcl3

1147

CHFClBr

fluorochlorobromomethane

chfclbr

1148

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1149

CHF₂I

difluoroiodomethane

chf2i

1150

CHBr₂F

dibromofluoromethane

chbr2f

1151

CHFClI

fluorochloroiodomethane

chfcli

1152

CHCl₂I

dichloroiodomethane

chcl2i

1153

CHClBr₂

Methane, dibromochloro-

chclbr2

1154

CHBr₃

bromoform

chbr3

1155

CHI₃

Iodoform

chi3

1156

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1157

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1158

C₂H₂F₂

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

c2h2f2e

1159

C₂H₂F₂

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

c2h2f2z

1160

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1161

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1162

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1163

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1164

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1165

CHClCHCl

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

chclchcle

1166

CHClCHCl

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

chclchclz

1167

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1168

CHBrCHBr

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

chbrchbre

1169

CHBrCHBr

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

chbrchbrz

1170

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1171

CH₃COF

Acetyl fluoride

ch3cof

1172

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1173

CH₃COCl

Acetyl Chloride

ch3cocl

1174

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1175

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1176

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1177

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1178

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1179

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1180

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1181

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1182

CH₂CFCH₃

2-fluoropropene

2fpro

1183

CH₂CHCH₂F

Allyl Fluoride

allylf

1184

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1185

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1186

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1187

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1188

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1189

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1190

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1191

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1192

CH₃CHFCH₃

2-Fluoropropane

prf2

1193

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1194

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1195

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1196

CH₃CHBrCH₃

i-propyl bromide

iprbr

1197

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1198

B₅H₉

pentaborane9

b5h9

1199

C₅H₄

pentatetraene

ptrene

1200

C₅H₅

cyclopentadienyl radical

c5h5

1201

C₅H₅^-

cylopentadienyl anion

c5h5-

1202

C₅H₆

1,3-Cyclopentadiene

c542927

1203

C₅H₆

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

c78808

1204

C₅H₆

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

c2004695

1205

C₅H₆

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

c1574409

1206

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1207

C₅H₆

Cyclopropylacetylene

c6746947

1208

C₅H₆

Propellane

propellane

1209

C₅H₇

1,3-pentadienyl radical

pdyl

1210

C₅H₇

cyclopentenyl radical

cpyl

1211

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1212

C₅H₈

1,2-Pentadiene

c591957

1213

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1214

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1215

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1216

C₅H₈

1,4-Pentadiene

c591935

1217

C₅H₈

1-pentyne

a1pentyne

1218

C₅H₈

2,3-Pentadiene

c591968

1219

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1220

C₅H₈

Cyclobutane, methylene-

c1120565

1221

C₅H₈

Cyclopentene

c142290

1222

C₅H₈

Ethenylcyclopropane

c693867

1223

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1224

C₅H₁₀

1-Butene, 2-methyl-

c563462

1225

C₅H₁₀

2-Butene, 2-methyl-

c513359

1226

C₅H₁₀

2-Pentene, (E)-

c646048

1227

C₅H₁₀

2-Pentene, (Z)-

c627203

1228

C₅H₁₀

Cyclopentane

c287923

1229

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1230

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1231

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1232

C₅H₁₂

Butane, 2-methyl-

buta2

1233

C₅H₁₂

Pentane

pentane

1234

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1235

Si(CH₃)₄

tetramethylsilane

tms

1236

N₂O₃

Dinitrogen trioxide

n2o3

1237

C₃H₂N₂

Malononitrile

c3h2n2

1238

CH₂N₄

1H-Tetrazole

1htz

1239

C₃H₃N₂

imidazolyl radical

1240

C₃H₃N₂^-

imidizolyl anion

im-

1241

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1242

C₄H₄N

pyrrolide radical

c4h4n

1243

C₄H₄N^-

pyrrolide anion

c4h4n-

1244

C₃H₄N₂

1H-Imidazole

1himidaz

1245

C₃H₄N₂

1H-Pyrazole

1hpyraz

1246

C₃H₄N₂

2H-Imidazole

imid2h

1247

C₃H₄N₂

4H-Imidazole

imid4h

1248

C₄H₅N

(E)-2-Butenenitrile

c627269

1249

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1250

C₄H₅N

2H-pyrrole

pyrrole2

1251

C₄H₅N

3H-pyrrole

pyrrole3

1252

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1253

C₄H₅N

Pyrrole

pyrrole

1254

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1255

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1256

C₄H₆N⁺

pyrrole, beta-protonated

bppyr

1257

C₄H₆N⁺

pyrrole, protonated

ppyr

1258

C₃H₆N₂

3-Aminopropionitrile

c151188

1259

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1260

CH₃CH₂CH₂CN

Butanenitrile

c109740

1261

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1262

C₅H₈

Spiropentane

c157404

1263

C₄H₉N

Cyclobutylamine

cbam

1264

C₄H₉N

Pyrrolidine

pyrrolidine

1265

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1266

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1267

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1268

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1269

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1270

NH(C₂H₅)₂

diethylamine

dea

1271

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1272

C₃O₂

Carbon suboxide

c3o2

1273

C₃O₂⁺

Carbon suboxide cation

c3o2+

1274

B₂O₃

diboron trioxide

b2o3

1275

MgCO₃

Magnesium Carbonate

mgco3

1276

BeCO₃

Beryllium Carbonate

beco3

1277

CaCO₃

Calcium Carbonate

caco3

1278

ONONO

Nitrosyl nitrite

onono

1279

PO₄^---

phosphate

po4---

1280

SO₄^--

sulfate

so4--

1281

HOONO₂

peroxy nitric acid

hoono2

1282

HSO₄^-

bisulfate anion

hso4-

1283

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1284

C₃H₂O₂

Propiolic acid

c3h2o2

1285

CHOCOOH

oxo acetic acid

oaa

1286

CHOOCHO

diformyl ether

choocho

1287

H₂SO₄

Sulfuric acid

h2so4

1288

H₂SeO₄

Selenic acid

h2seo4

1289

C₃H₃NO

Isoxazole

isox

1290

C₃H₃NO

Oxazole

oxazole

1291

C₃H₃NS

Thiazole

thiazole

1292

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1293

CH₃NO₃

Methyl nitrate

ch3no3

1294

H₃PO₄

Phosphoric Acid

h3po4

1295

C₄H₄O

Furan

furan

1296

C₄H₄O⁺

Furan cation

furan+

1297

CH₃COCCH

3-butyn-2-one

c1423605

1298

C₄H₄S

Thiophene

furans

1299

C₄H₄Se

selenophene

c4h4se

1300

C₃H₄O₂

β–Propiolactone

beta

1301

C₃H₄O₂

2-Propenoic acid

propenoic2

1302

C₃H₄O₂

Methyl glyoxal

megly

1303

C₃H₄O₂

propanedial

1304

C₃H₄O₂

propenalol

1305

HOCHCCHOH

allenediol

aldiol

1306

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1307

C₂H₄O₃

trioxolane124

triox

1308

HOCH₂COOH

Hydroxyacetic acid

hac

1309

CH₂CHCONH₂

Acrylamide

c79061

1310

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1311

CH₅N₃S

Hydrazinecarbothioamide

c79196

1312

H₂NCH₂COOH

Glycine

glycine

1313

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1314

C₄H₆O

cis-2-butenal

butenal2c

1315

C₄H₆O

Cyclobutanone

cbutone

1316

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1317

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1318

CH₂CHOCHCH₂

Vinyl ether

vinylether

1319

CHOCHCHCH₃

2-Butenal

butenal2

1320

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1321

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1322

CH₂CHSCHCH₂

Divinyl sulfide

divis

1323

C₂H₆N₂O

Urea, methyl-

c598505

1324

C₃H₆O₂

1,3-Dioxolane

dioxolane

1325

CH₃CH₂COOH

Propanoic Acid

propanoic

1326

CH₃COOCH₃

methyl acetate

aame

1327

HCOOC₂H₅

Ethyl formate

faee

1328

C₂H₆O₂S

Dimethyl sulfone

c67710

1329

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1330

C₃H₇NO

dimethylformamide

dmf

1331

C₃H₇NO

Propanamide

propanam

1332

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1333

C₄H₈O

Cyclobutanol

c2919235

1334

C₄H₈O

Furan, tetrahydro-

thf

1335

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1336

CH₃COCH₂CH₃

2-Butanone

buta2one

1337

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1338

CHOCH₂CH₂CH₃

Butanal

butanal

1339

C₄H₈S

Thiophene, tetrahydro-

tht

1340

C₃H₈O₂

1,3-Propanediol

c504632

1341

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1342

C₃H₈O₂

Methane, dimethoxy-

c109875

1343

C₃H₈O₂

Propylene glycol

c57556

1344

C₃H₈S₂

1,3-Propanedithiol

c109808

1345

C₄H₁₀O

1-Butanol

butanol1

1346

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1347

C₄H₁₀O

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

butanol2

1348

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1349

C₄H₁₀O

Ethoxy ethane

etoet

1350

C₄H₁₀O

Methyl propyl ether

meopr

1351

C₄H₁₀O

Propane, 2-methoxy-

c598538

1352

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1353

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1354

C₂H₅SC₂H₅

Diethyl sulfide

etset

1355

C₄H₉SH

1-Butanethiol

bush

1356

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1357

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1358

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1359

FNO₃

Fluorine nitrate

fno3

1360

ClONO₂

Chlorine nitrate

clono2

1361

TiCl₄

Titanium tetrachloride

ticl4

1362

ClO₄^-

perchlorate anion

clo4-

1363

BF₄^-

tetrafluoroboron anion

bf4-

1364

ClFO₃

Perchloryl fluoride

clfo3

1365

SO₂F₂

Sulfuryl fluoride

so2f2

1366

SO₂Cl₂

Sulfuryl chloride

so2cl2

1367

F₃NO

Nitrogen trifluoride oxide

f3no

1368

F₃PO

Phosphoryl fluoride

pf3o

1369

Cl₃PO

Phosphoryl chloride

pcl3o

1370

CF₄

Carbon tetrafluoride

cf4

1371

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1372

SiF₄

Silicon tetrafluoride

sif4

1373

CF₂Cl₂

difluorodichloromethane

cf2cl2

1374

CFCl₃

Trichloromonofluoromethane

cfcl3

1375

CF₃Br

Bromotrifluoromethane

cf3br

1376

GeF₄

Germanium tetrafluoride

gef4

1377

CCl₄

Carbon tetrachloride

ccl4

1378

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1379

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1380

SiCl₄

Silane, tetrachloro-

sicl4

1381

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1382

CF₃I

trifluoroiodomethane

cf3i

1383

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1384

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1385

GeCl₄

Germanium Tetrachloride

gecl4

1386

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1387

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1388

CCl₃I

trichloroiodomethane

ccl3i

1389

CFBr₃

fluorotribromomethane

cfbr3

1390

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1391

CBr₃Cl

tribromochloromethane

cbr3cl

1392

CF₂I₂

difluorodiiodomethane

cf2i2

1393

CBr₄

Carbon tetrabromide

cbr4

1394

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1395

SiBr₄

Silicon tetrabromide

sibr4

1396

CBr₃I

tribromoiododmethane

cbr3i

1397

GeBr₄

Germanium tetrabromide

gebr4

1398

CI₄

tetraiodomethane

ci4

1399

SiI₄

silicon tetraiodide

sii4

1400

ClOF₃

Chlorine trifluoride oxide

clof3

1401

SF₄

Sulfur tetrafluoride

sf4

1402

SeF₄

Selenium tetrafluoride

sef4

1403

SCl₄

Sulfur tetrachloride

scl4

1404

C₂HF₃

Trifluoroethylene

c2hf3

1405

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1406

CHClCCl₂

Trichloroethylene

chclccl2

1407

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1408

HClO₄

perchloric acid

hclo4

1409

HSO₃F

Fluorosulfonic acid

hso3f

1410

CF₃OH

trifluoromethanol

cf3oh

1411

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1412

CHClCCHCl

1,3-dichloroallene

chclcchcl

1413

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1414

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1415

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1416

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1417

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1418

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1419

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1420

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1421

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1422

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1423

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1424

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1425

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1426

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1427

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1428

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1429

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1430

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1431

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1432

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1433

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1434

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1435

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1436

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1437

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1438

CH₃CClCHCH₃

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

bute2cl2e

1439

CH₃CClCHCH₃

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

bute2cl2z

1440

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1441

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1442

C₄H₉F

1-fluorobutane

butaf1

1443

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1444

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1445

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1446

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1447

XeF₄

Xenon tetrafluoride

xef4

1448

C₂H₂N₂O

Furazan

furazan

1449

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1450

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1451

C₆H₂

hexatriyne

c6h2

1452

C₆H₄

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

c6h4e

1453

C₆H₄

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

c6h4z

1454

C₆H₄

Benzyne

benzyne

1455

C₆H₅

phenyl

1456

C₆H₅^-

phenyl anion

phenyl-

1457

C₆H₆

Prismane

prismane

1458

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1459

C₆H₆

2,4-Hexadiyne

hexadiyne

1460

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1461

C₆H₆

Benzene

benzene

1462

C₆H₆

Benzvalene

1463

C₆H₆

Dewar Benzene

dewar

1464

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1465

C₆H₆

Trimethylenecycopropane

tmcp

1466

C₆H₆⁺

Benzene cation

c6h6+

1467

C₆H₇⁺

benzene, protonated

c6h7+

1468

C₆H₈

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

c821078

1469

C₆H₈

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

c59660650

1470

C₆H₈

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

hexatri135

1471

C₆H₈

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

hetr234c

1472

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1473

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1474

C₆H₈

3-Methylenecyclopentene

c930267

1475

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1476

C₆H₈

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

c30830207

1477

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1478

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1479

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1480

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1481

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1482

C₆H₁₀

1,5-Hexadiene

c592427

1483

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1484

C₆H₁₀

1-Hexyne

hexyne1

1485

C₆H₁₀

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

hexdi24ee

1486

C₆H₁₀

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

hexdi24ez

1487

C₆H₁₀

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

hexdi24zz

1488

C₆H₁₀

2-Hexyne

c764352

1489

C₆H₁₀

3-Hexyne

hexyne3

1490

C₆H₁₀

cyclohexene

1491

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1492

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1493

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1494

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1495

C₆H₁₂

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

dmcb12t

1496

C₆H₁₂

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

dmcb13t

1497

C₆H₁₂

(E)-2-Hexene

e2hexene

1498

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1499

C₆H₁₂

(E)-hex-3-ene

e3hexene

1500

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1501

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1502

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1503

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1504

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1505

C₆H₁₂

3-methylenepentane

c760214

1506

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1507

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1508

C₆H₁₂

Cyclohexane

cyclohexane

1509

C₆H₁₂

Cyclopentane, methyl-

c96377

1510

C₆H₁₂

Ethylcyclobutane

c4806615

1511

C₆H₁₂

hex-1-ene

hexene1

1512

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1513

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1514

C₆H₁₄

Hexane

hexane

1515

C₆H₁₄

Pentane, 2-methyl-

penta2

1516

C₆H₁₄

Pentane, 3-methyl-

penta3

1517

C₄N₂

2-Butynedinitrile

c4n2

1518

N₃P₃

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

n3p3

1519

C₄H₂N₂

Fumaronitrile

c4h2n2

1520

C₂H₂N₄

sym-tetrazine

ttz

1521

C₃H₃N₃

1,3,5-Triazine

triazine135

1522

CH₃N₅

5-Aminotetrazole

c4418615

1523

C₄H₄N₂

1,3-Diazine

diazine13

1524

C₄H₄N₂

Pyrazine

pyrazine

1525

C₄H₄N₂

Pyridazine

pyridazine

1526

C₄H₄N₂

Succinonitrile

c110612

1527

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1528

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1529

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1530

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1531

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1532

C₅H₅N

Pyridine

pyridine

1533

B₃N₃H₆

borazine

1534

C₆H₆

Fulvene

fulvene

1535

C₅H₆N⁺

Pyridinium

c5h6n

1536

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1537

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1538

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1539

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1540

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1541

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1542

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1543

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1544

C₅H₉N

Pentanenitrile

c110598

1545

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1546

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1547

C₅H₁₁N

Cyclopentanamine

cypentam

1548

C₅H₁₁N

Piperidine

piper

1549

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1550

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1551

Li₂CO₃

Lithium Carbonate

li2co3

1552

Na₂CO₃

Sodium Carbonate

na2co3

1553

C₂O₄^--

oxalate anion

c2o4

1554

MgSO₄

Magnesium Sulfate

mgso4

1555

N₂O₄

Dinitrogen tetroxide

n2o4

1556

C₃H₂O₃

vinylene carbonate

vica

1557

C₂H₂O₄

Oxalic Acid

oxalic

1558

C₂H₃NO₃

Oxamic acid

oxamic

1559

C₄H₄O₂

2(5H)-Furanone

furanone

1560

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1561

C₂H₄N₂O₂

Oxalamide

oxalamide

1562

C₂H₄N₂S₂

Ethanedithioamide

c79403

1563

C₂H₄CO₃

Ethylene carbonate

etco3

1564

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1565

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1566

C₂H₄O₄

Formic acid dimer

fadimer

1567

C₄H₅NO

3-Methylisoxazole

isox3m

1568

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1569

C₄H₅NS

4-Methylthiazole

c693958

1570

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1571

C₅H₆O

2H-Pyran

pyran2

1572

C₅H₆O

2-methylfuran

furan2m

1573

C₅H₆O

3-Methylfuran

furan3m

1574

C₅H₆O

Pentadienal

pdal

1575

C₅H₆S

Thiophene, 2-methyl-

c554143

1576

C₅H₆S

Thiophene, 3-methyl-

c616444

1577

C₄H₆O₂

γ–Butyrolactone

c96480

1578

C₄H₆O₂

2,3-Butanedione

c431038

1579

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1580

C₄H₆O₂

Crotonic Acid

crot

1581

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1582

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1583

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1584

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1585

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1586

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1587

C₄H₆OS

Vinyl sulfoxide

c1115157

1588

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1589

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1590

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1591

C₃H₆O₃

1,3,5-Trioxane

trioxane

1592

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1593

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1594

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1595

C₄H₇NO

2-Pyrrolidinone

c616455

1596

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1597

C₄H₇NO

Methacrylamide

c79390

1598

C₄H₇NO

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

c1120645

1599

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1600

C₃H₇ONO

Propyl nitrite

prono

1601

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1602

CH₃CH(NH₂)COOH

Alanine

alanine

1603

CH₃NHCH₂COOH

Sarcosine

sarcosine

1604

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1605

NH₂COOC₂H₅

Urethane

urethane

1606

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1607

C₅H₈O

Cyclopentanone

c120923

1608

C₅H₈O

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

c1487156

1609

C₅H₈O

Methyl cyclopropyl ketone

c765435

1610

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1611

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1612

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1613

C₄H₈O₂

1,3-Dioxane

dioxan13

1614

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1615

C₄H₈O₂

1,4-Dioxane

dioxan14

1616

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1617

C₄H₈O₂

Ethyl acetate

c141786

1618

C₄H₈OS

s-Ethyl thioacetate

c625605

1619

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1620

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1621

C₄H₉NO

Butanamide

c541355

1622

C₄H₉NO

Propanamide, 2-methyl-

c563837

1623

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1624

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1625

C₅H₁₀O

2-methylbutyraldehyde

2meba

1626

C₅H₁₀O

2-Pentanone

mpk

1627

C₅H₁₀O

3-Pentanone

dek

1628

C₅H₁₀O

Cyclopentanol

c96413

1629

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1630

C₅H₁₀O

Pentanal

pal

1631

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1632

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1633

C₅H₁₀S

Cyclopentanethiol

c1679078

1634

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1635

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1636

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1637

C₄H₁₀O₂

1,3-Butanediol

budiol13

1638

C₄H₁₀O₂

1,4-Butanediol

budiol14

1639

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1640

C₄H₁₀OS

Diethyl sulfoxide

c70291

1641

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1642

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1643

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1644

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1645

C₅H₁₂O

1-Pentanol

pentanol1

1646

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1647

C₅H₁₂O

2-Pentanol

peol2

1648

C₅H₁₂O

3-Pentanol

pentan3ol

1649

C₅H₁₂O

Butane, 1-methoxy-

meobu

1650

C₅H₁₂O

Propane, 1-ethoxy-

proet

1651

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1652

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1653

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1654

C₅H₁₂S

1-Pentanethiol

c110667

1655

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1656

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1657

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1658

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1659

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1660

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1661

C₅H₁₂S

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

c6163640

1662

C₄F₂

difluorobutadiyne

c4f2

1663

ClCOClCO

Oxalyl chloride

oxcl

1664

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1665

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1666

B₂F₄

Diboron tetrafluoride

b2f4

1667

B₂Cl₄

Diboron tetrachloride

b2cl4

1668

C₂F₄

Tetrafluoroethylene

c2f4

1669

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1670

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1671

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1672

CFClCClF

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

cfclcclf

1673

CFClCFCl

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

cfclcfcl

1674

C₂FCl₃

fluorotrichloroethene

c2fcl3

1675

C₂Cl₄

Tetrachloroethylene

c2cl4

1676

C₂Br₄

tetrabromoethene

c2br4

1677

CF₃OF

Trifluoromethylhypofluorite

cf3of

1678

SiF₅^-

silicon pentafluoride anion

sif5-

1679

SOF₄

Sulfur tetrafluoride oxide

sof4

1680

PF₅

Phosphorus pentafluoride

pf5

1681

AsF₅

Arsenic pentafluoride

asf5

1682

PCl₅

Phosphorus pentachloride

pcl5

1683

SF₅

Sulfur pentafluoride

sf5

1684

SF₅⁺

pentafluoro sulfur cation

sf5+

1685

SbCl₅

Antimony pentachloride

sbcl5

1686

BrF₅

bromine pentafluoride

brf5

1687

ClF₅

chlorinepentafluoride

clf5

1688

IF₅

pentafluoroiodine

if5

1689

CF₃CHO

trifluoroacetaldehyde

cf3cho

1690

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1691

CHFClCHClF

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

chfclchclf

1692

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1693

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1694

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1695

CHFClCHFCl

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

chfclchfcl

1696

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1697

CHCl₂CHCl₂

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

chcl2chcl2

1698

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1699

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1700

CF₃COOH

trifluoroacetic acid

cf3cooh

1701

C₄H₃ClO

Furan, 2-chloro

fur2cl

1702

C₄H₃ClO

Furan,3-chloro

fur3cl

1703

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1704

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1705

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1706

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1707

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1708

C₄H₈Cl₂

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

c2211678

1709

C₄H₈Cl₂

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

c4028562

1710

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1711

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1712

C₄H₈O₂

Butanoic acid

bua

1713

C₆H₅CH₂

benzyl radical

benzyl

1714

C₇H₇

cycloheptatrienyl radical

c7h7

1715

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1716

C₆H₅CH₃

toluene

1717

C₇H₈

cycloheptatriene

cht

1718

C₇H₈

Norbornadiene

norbor

1719

C₇H₈

Quadricyclane

qucy

1720

C₇H₁₂

Norbornane

nor

1721

C₇H₁₄

cycloheptane

c7h14

1722

C₇H₁₆

2-methylhexane

2mhex

1723

C₇H₁₆

3-methylhexane

hex3m

1724

C₇H₁₆

heptane

1725

CH(CN)₃

tricyanomethane

mecn3

1726

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1727

C₆H₇N

2-Methylpyridine

1728

C₆H₅NH₂

aniline

1729

C₆H₁₃N

2-Methylpiperidine

pip2m

1730

C₆H₁₃N

cyclohexanamine

cham

1731

C₆H₁₅N

triethylamine

tea

1732

N₂O₅

Dinitrogen pentoxide

n2o5

1733

C₄H₂O₃

Maleic Anhydride

malan

1734

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1735

C₅H₄O₂

furfural

1736

C₆H₅O

phenoxy radical

phenoxy

1737

C₅H₅NO

2(1H)-Pyridinone

c72762006

1738

C₅H₅NO

2(3H)-Pyridinone

c9000048

1739

C₅H₅NO

2(5H)-Pyridinone

c9000037

1740

C₅H₅NO

2-Pyridinol

c109104

1741

C₅H₅NO

3(2H)-Pyridinone

c9000004

1742

C₅H₅NO

3(4H)-Pyridinone

c9000026

1743

C₅H₅NO

3(6H)-Pyridinone

c9000015

1744

C₅H₅NO

3-Pyridinol

c109002

1745

C₅H₅NO

4(1H)-Pryidinone

c9000060

1746

C₅H₅NO

4(3H)-Pryidinone

c9000059

1747

C₅H₅NO

4-Pyridinol

c626642

1748

C₆H₅OH

phenol

1749

C₆H₆O

2,4-Cyclohexadienone

c24599573

1750

C₆H₆O

2,5-Cyclohexadienone

c5664335

1751

C₆H₅SH

Benzenethiol

phsh

1752

HO₂CCHNH₂CH₂OH

Serine

serine

1753

C₅H₈O₂

Acetylacetone

acac

1754

C₄H₈O₂S

Sulfolane

sulfolane

1755

C₇H₁₀

Norbornene

norbornene

1756

CH(C₂H₃)₃

trivinyl methane

tvm

1757

C₆H₁₀O

cyclohexanone

chexo

1758

C₆H₁₂O

hexanal

c6h12o

1759

C₆H₁₂O

Oxepane

oxepane

1760

C₃H₇OC₃H₇

di-n-propyl ether

propr

1761

F₂CCCF₂

tetrafluoroallene

pfa

1762

CF₃COO^-

trifluoro acetate anion

cf3coo-

1763

CF₃COF

trifluoroacetyl fluoride

cf3cof

1764

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1765

PF₆

Hexafluorophosphate neutral

pf6

1766

SF₆

Sulfur Hexafluoride

sf6

1767

SeF₆

Selenium hexafluoride

sef6

1768

SF₅Cl

sulfur chloropentafluoride

sf5cl

1769

CF₃CHF₂

pentafluoroethane

cf3chf2

1770

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1771

CF₃CHCl₂

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

cf3chcl2

1772

CHCl₂CClF₂

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

chcl2cclf2

1773

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1774

C₆H₅F

Fluorobenzene

bzf

1775

C₆H₅Cl

chlorobenzene

bzcl

1776

C₆H₅Br

bromobenzene

bzbr

1777

C₈H₆

Calicene

calicene

1778

C₆H₅CCH

phenylacetylene

phac

1779

C₈H₆

benzocyclobutadiene

bcbd

1780

C₈H₆

Pentalene

pentalene

1781

C₆H₅CHCH₂

Styrene

styrene

1782

C₈H₈

cubane

1783

C₈H₈

cyclooctatetraene

cot

1784

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1785

CH₃C₆H₄CH₃

meta-xylene

mxylene

1786

CH₃C₆H₄CH₃

paraxylene

pxylene

1787

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1788

C₈H₁₆

cyclooctane

cyclooct

1789

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1790

C₈H₁₈

Octane

c8h18

1791

C₆H₅CN

phenyl cyanide

phcn

1792

C₆H₁₂N₂

Triethylenediamine

ted

1793

C₄O₄^--

squarate dianion

c4o4--

1794

S₄N₄

Tetrasulfur tetranitride

s4n4

1795

S₈

Octasulfur

1796

C₆H₄O₂

parabenzoquinone

pbq

1797

C₄H₄N₂O₂

Uracil

uracil

1798

C₆H₅CHO

benzaldehyde

benzal

1799

C₆H₅OCH₃

Anisole

anisole

1800

C₅H₉NO₂

Proline

proline

1801

C₆H₁₂O₂

Methyl pivalate

c598981

1802

C₆H₁₂O₂

Hexanoic acid

hexa

1803

C₄F₄

tetrafluorcyclobutadiene

c4f4

1804

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1805

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1806

CF₂ClCF₂Cl

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

cf2clcf2cl

1807

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1808

CF₂ClCFCl₂

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

cf2clcfcl2

1809

CF₃CCl₃

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

cf3ccl3

1810

C₂F₆

hexafluoroethane

c2f6

1811

C₂Cl₆

hexachloroethane

c2cl6

1812

IF₇

Iodine heptafluoride

if7

1813

C₆H₄F₂

metadifluorobenzene

mdfb

1814

C₆H₄F₂

orthodifluorobenzene

odfb

1815

C₆H₄F₂

1,4-difluorobenzene

pdfb

1816

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1817

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1818

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1819

C₆H₅NO

nitrosobenzene

bzno

1820

C₉H₈

Indene

indene

1821

C₉H₈

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

snt

1822

C₉H₁₂

n-propyl benzene

prbz

1823

C₉H₂₀

Nonane

nonane

1824

C(CN)₄

tetracyanomethane

c5n4

1825

C₅H₄N₄

purine

1826

C₈H₇N

Indole

indole

1827

C₃H₃N₃O₃

cyanuric acid

cyanuric

1828

C₆H₅NO₂

Nitrobenzene

c6h5no2

1829

C₆H₅COOH

benzoic acid

benzo

1830

CH₃COC₆H₅

acetophenone

acph

1831

C₃Cl₃N₃

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

c3cl3n3

1832

C₃F₆

hexafluoropropene

c3f6

1833

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1834

C₈H₁₈O

1-Octanol

octanol

1835

C₁₀H₈

Azulene

azu

1836

C₁₀H₈

naphthalene

naph

1837

C₁₀H₁₀

bullvalene

bullv

1838

C₁₀H₁₆

adamantane

1839

C₆N₄

Tetracyanoethylene

tcne

1840

C₆N₄^-

tetracyanoethylene anion

tcne-

1841

C₁₀H₂₂

Decane

decane

1842

C₄F₆

perfluorobutadiene

c4f6

1843

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1844

C₃F₈

perfluoropropane

c3f8

1845

Fe(CO)₅

Iron pentacarbonyl

ipc

1846

Fe(C₅H₅)₂

ferrocene

fecp2

1847

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1848

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1849

C₁₂H₈

Acenaphthylene

acenaph

1850

C₁₂H₈

biphenylene

biph

1851

C₁₂H₁₀

biphenyl

1852

C₁₂H₁₀

Heptalene

heptalene

1853

C₆H₁₂O₆

Inositol

inositol

1854

C₆F₆

hexafluorobenzene

c6f6

1855

S₂F₁₀

disulphur decafluoride

s2f10

1856

C₁₃H₁₀

Fluorene

fluorene

1857

C₁₄H₁₀

Anthracene

anth

1858

C₁₄H₁₀

Phenanthrene

phenanthrene

1859

C₁₄H₁₄

Bibenzyl

bibenzyl

1860

C₁₂H₁₀N₂

azobenzene

1861

C₆H₅COC₆H₅

benzophenone

1862

C₁₆H₁₀

Pyrene

pyrene

1863

C₁₈H₁₂

Tetracene

tetracene

1864

C₁₉H₁₆

Triphenylmethane

tpm

1865

C₂₄H₁₂

Coronene

coronene

1866

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