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) /6-31G*

Jump to calculations not yet done

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	He	Helium atom	¹S	K_h
3	He	Helium atom
4	Li	Lithium atom	²S	K_h
5	KH	Potassium hydride	¹Σ	C_∞v
6	MgH	magnesium monohydride	²Σ	C_∞v
7	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
8	B	Boron atom	²P	K_h
9	Al^-	Aluminum atom anion	³P	K_h
10	BH	Boron monohydride	¹Σ	C_∞v
11	BH	Boron monohydride	³Π	C_∞v
12	ScH	Scandium monohydride	¹Σ	C_∞v
13	BH₃⁺	boron trihydride cation	²B₂	C_2v
14	BH₃⁺	boron trihydride cation		C_2v
15	AlH₃	aluminum trihydride	¹A₁^'	D_3h
16	AlH₃^-	aluminum trihydride anion		C_3v
17	ScH₃	Scandium trihydride	¹A₁^'	D_3h
18	ScH₃	Scandium trihydride	¹A₁	C_3v
19	BH₄	borohydride	²B₂	C_2v
20	BH₄^-	borohydride anion	¹A₁	T_d
21	C	Carbon atom	³P₀	K_h
22	C	Carbon atom	³P₁	K_h
23	C^-	Carbon atom anion	²D	K_h
24	Si	Silicon atom	³P	K_h
25	Si	Silicon atom	¹S	K_h
26	Si^-	Silicon atom anion	⁴S	K_h
27	SiH	Silylidyne	²Π	C_∞v
28	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
29	GeH	germylidene	²Π	C_∞v
30	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
31	CH₂	Methylene	³B₁	C_2v
32	CH₂	Methylene	³Σ_G	D_∞h
33	CH₂	Methylene	¹A₁	C_2v
34	CH₂^-	methylene anion	²B₁	C_2v
35	CH₂⁺	methylene cation	²A₁	C_2v
36	CH₂⁺	methylene cation	²Π	D_∞h
37	GeH₂	germylene	¹A₁	C_2v
38	CH₃	Methyl radical	²A₁	D_3h
39	CH₃^-	methyl anion	¹A₁	C_3v
40	CH₃⁺	methyl cation	¹A₁^'	D_3h
41	SiH₃	Silyl radical	²A₁	C_3v
42	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
43	CH₄	Methane	¹A₁	T_d
44	CH₄^-	Methane anion	²A₁	T_d
45	CH₄^-	Methane anion	²A₁	C_3v
46	SiH₂D₂	silane-d2
47	SiH₄	Silane	¹A₁	T_d
48	GeH₄	Germane	¹A₁	T_d
49	SiH₅⁺	Silane, protonated
50	N	Nitrogen atom	⁴S	K_h
51	N	Nitrogen atom	²D	K_h
52	N⁺	Nitrogen atom cation	³P	K_h
53	P	Phosphorus atom	⁴S	K_h
54	V	Vanadium atom	⁴F	K_h
55	V⁺	Vanadium atom cation	⁵D	K_h
56	As	Arsenic atomic	⁴S	K_h
57	As^-	Arsenic anion	³P	K_h
58	As⁺	Arsenic cation	³P	K_h
59	PH	phosphorus monohydride	³Σ^-	C_∞v
60	NH₂	Amino radical	²B₁	C_2v
61	NH₂⁺	Amino cation	³B₁	C_2v
62	NH₂⁺	Amino cation	¹A₁	C_2v
63	NH₃	Ammonia	¹A₁	C_3v
64	NH₃^-	Ammonia anion	²A₁	C_3v
65	NH₃⁺	ammonia cation	²A₂^"	D_3h
66	PH₃	Phosphine	¹A₁	C_3v
67	PH₃⁺	Phosphine cation	²A₁	C_3v
68	NH₄⁺	ammonium cation	¹A₁	T_d
69	PH₄	Phosphoranyl radical
70	PH₄⁺	phosphonium cation
71	O	Oxygen atom	³S	K_h
72	O⁺	Oxygen atom cation	⁴S	K_h
73	S	Sulfur atom	³P	K_h
74	S^-	Sulfur atom anion	²P	K_h
75	S⁺	Sulfur atom cation	⁴S	K_h
76	OH	Hydroxyl radical	²Π	C_∞v
77	OH^-	hydroxide anion	¹Σ	C_∞v
78	OH⁺	hydoxyl cation	³Σ	C_∞v
79	HS	Mercapto radical	²Π	C_∞v
80	HS^-	mercapto anion	¹Σ	C_∞v
81	HS⁺	sulfur monohydride cation	³Σ	C_∞v
82	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	²P	K_h
96	F^-	Fluorine atom anion	¹S	K_h
97	F⁺	Fluorine atom cation	³S	K_h
98	F⁺	Fluorine atom cation	¹D	K_h
99	Cl	Chlorine atom	²P	K_h
100	Cl^-	Chlorine atom anion	¹S	K_h
101	Cl⁺	Chlorine atom cation	³P	K_h
102	Cl⁺	Chlorine atom cation	¹D	K_h
103	HF	Hydrogen fluoride	¹Σ	C_∞v
104	HCl	Hydrogen chloride	¹Σ	C_∞v
105	HCl⁺	hydrogen chloride cation	²Π	C_∞v
106	HBr	hydrogen bromide	¹Σ	C_∞v
107	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
108	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
109	Ne	Neon atom	¹S	K_h
110	Ne	Neon atom
111	Ne⁺	Neon atom cation	²P	K_h
112	Ar	Argon atom	¹S	K_h
113	Kr	Krypton atom	¹S	K_h
114	Kr⁺	Krypton cation	²P	K_h
115	NeH	neon hydrogen	²Σ	C_∞v
116	ArH⁺	Argon hydride cation	¹Σ	C_∞v
117	KrH⁺	Protonated Krypton	¹Σ	C_∞v
118	Na₂	Sodium diatomic	¹Σ_g	D_∞h
119	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
120	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
121	NaK⁺	Sodium Potassium diatomic cation		1
122	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
123	BeMg	Beryllium Magnesium	¹Σ	C_∞v
124	NaAl	Sodium aluminum	¹Σ	C_∞v
125	BeB	Beryllium monoboride	²Π	C_∞v
126	B₂	Boron diatomic	¹Σ_g	D_∞h
127	B₂⁺	Boron diatomic cation	²Π	D_∞h
128	BAl	Boron Aluminum	³Σ	C_∞v
129	BGa	Boron Gallium	³Σ	C_∞v
130	AlGa	Aluminum Gallium	³Σ	C_∞v
131	AlGa	Aluminum Gallium	¹Σ	C_∞v
132	Ga₂	Gallium diatomic	³P_iu
133	HBBH	Diborane(2)	³Σ_G	D_∞h
134	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
135	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
136	B₂H₆	Diborane	¹A_g	D_2h
137	B₂H₆⁺	Diborane cation
138	Ga₂H₆	digallane	¹A_G	D_2h
139	BeC	Beryllium Carbide	³Σ^-	C_∞v
140	CaC	Calcium monocarbide
141	AlC	Aluminum carbide	⁴Σ	C_∞v
142	BSi	Boron silicide	⁴Σ	C_∞v
143	BSi	Boron silicide	²Σ	C_∞v
144	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
145	C₂	Carbon diatomic	³Π_u	D_∞h
146	C₂	Carbon diatomic	³Σ_g^-
147	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
148	SiGe	Silicon Germanium
149	C₂H	Ethynyl radical	²Σ	C_∞v
150	C₂H^-	Ethynyl anion	¹Σ	C_∞v
151	C₂H₂	Acetylene	¹Σ_g	D_∞h
152	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
153	H₂CC^-	vinylidene anion
154	CH₃Li	methyl lithium	¹A₁	C_3v
155	CH₂BH	methyleneborane	¹A₁	C_2v
156	C₂H₃	vinyl	²A^'	C_s
157	C₂H₃^-	vinyl anion	¹A^'	C_s
158	C₂H₄	Ethylene	¹A_g	D_2h
159	C₂H₄^-	Ethylene anion	²A_g	C_2h
160	C₂H₄⁺	Ethylene cation	²B₃	D₂
161	CH₃BH₂	methylborane	¹A^'	C_s
162	C₂H₅	Ethyl radical	²A^'	C_s
163	C₂H₆	Ethane	¹A_1g	D_3d
164	Si₂H₆	disilane	¹E_u	D_3d
165	LiP	Lithium monophosphide
166	LiP	Lithium monophosphide
167	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
168	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
169	MgN	Magnesium Nitride
170	BP	Boron monophosphide	³Π	C_∞v
171	BP	Boron monophosphide	¹Σ	C_∞v
172	AlP	Aluminum monophosphide	³Σ	C_∞v
173	AlP	Aluminum monophosphide	³Π	C_∞v
174	AlP	Aluminum monophosphide	¹Σ	C_∞v
175	GaN	Gallium mononitride	¹Σ	C_∞v
176	GaP	Gallium monophosphide	³Σ	C_∞v
177	GaP	Gallium monophosphide	¹Σ	C_∞v
178	GaAs	Gallium arsenide	³Π
179	GaAs	Gallium arsenide	¹Σ
180	BN	boron nitride	³Π	C_∞v
181	BN	boron nitride	¹Σ	C_∞v
182	CN	Cyano radical	²Σ	C_∞v
183	CN^-	cyanide anion	¹Σ	C_∞v
184	SiP	Silicon monophosphide	²Π	C_∞v
185	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
186	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
187	HCN	Hydrogen cyanide	¹Σ	C_∞v
188	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
189	HNC⁺	hydrogen isocyanide cation
190	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
191	N₂H₂	(E)-diazene	¹A_g	C_2h
192	N₂H₂	(Z)-Diazene	¹A₁	C_2v
193	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
194	CH₂NH⁺	Methanimine cation
195	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
196	N₂H₄⁺	hydrazine cation	²A_G	C_2h
197	CH₃NH₂	methyl amine	¹A^'	C_s
198	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
199	BH₃PH₃	borane phosphine
200	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
201	N₂H₇⁺	ammonia ammonium dimer
202	LiO	lithium oxide	²Σ	C_∞v
203	LiS	Lithium monosulfide	²Π	C_∞v
204	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
205	NaO	sodium monoxide	²Σ	C_∞v
206	KO	Potassium monoxide	²Σ	C_∞v
207	KO⁺	Potassium monoxide cation	³Σ	C_∞v
208	NaS	Sodium sulfide	²Π	C_∞v
209	CaS	Calcium sulfide	¹Σ	C_∞v
210	BO	boron monoxide	²Σ	C_∞v
211	ScO	Scandium monoxide	²Σ	C_∞v
212	CO	Carbon monoxide	¹Σ	C_∞v
213	CO^-	carbon monoxide anion	²Π	C_∞v
214	CO⁺	carbon monoxide cation	²Σ	C_∞v
215	TiO	Titanium monoxide	³Δ	C_∞v
216	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
217	GeS	Germanium monosulfide	¹Σ	C_∞v
218	SiSe	Silicon Monoselenide
219	SiSe⁺	Silicon Monoselenide cation
220	NO	Nitric oxide	²Π	C_∞v
221	NO^-	nitric oxide anion	³Σ	C_∞v
222	NO⁺	nitric oxide cation	¹Σ	C_∞v
223	NS	Mononitrogen monosulfide	²Π	C_∞v
224	PO	Phosphorus monoxide	²Π	C_∞v
225	PS	phosphorus sulfide	²Σ	C_∞v
226	VO	Vanadium monoxide	⁴Σ^-
227	NSe	Nitrogen monoselenide	²Π	C_∞v
228	AsS	Arsenic monosulfide	²Π	C_∞v
229	PSe	Phosphorus monoselenide	²Π	C_∞v
230	AsSe	Arsenic monoselenide	²Π	C_∞v
231	O₂	Oxygen diatomic	³Σ_g	D_∞h
232	O₂^-	oxygen diatomic anion	²Π	D_∞h
233	SO⁺	sulfur monoxide cation	²Π	C_∞v
234	S₂	Sulfur diatomic	³Σ_g	D_∞h
235	LiOH	lithium hydroxide	¹Σ	C_∞v
236	BeOH	beryllium monohydroxide	²Σ	C_∞v
237	HBO	Boron hydride oxide	¹Σ	C_∞v
238	COH	Hydroxymethylidyne
239	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
240	HCO^-	formyl anion	¹A^'	C_s
241	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
242	NOH	Hydroxyimidogen	³A^"	C_s
243	NOH⁺	O-protonated nitric oxide	²A^'	C_s
244	HO₂	Hydroperoxy radical	²A^"	C_s
245	HO₂⁺	Hydroperoxy cation	³A^"	C_s
246	HSO⁺	Sulfur Monoxide, S-protonated
247	SOH⁺	Sulfur Monoxide, protonated
248	H₂CO	Formaldehyde	¹A₁	C_2v
249	H₂CO^-	formaldehyde anion	²A^'	C_s
250	H₂CO⁺	formaldehyde cation	²B₂	C_2v
251	H₂CS	Thioformaldehyde	¹A₁	C_2v
252	H₂NO	nitroxide	²B₁	C_2v
253	H₂NO	nitroxide	²A^'	C_s
254	H₂O₂	Hydrogen peroxide	¹A	C₂
255	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
256	H₂S₂	Disulfane	¹A	C₂
257	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
258	CH₂OH	Hydroxymethyl radical	²A	C₁
259	CH₃O⁺	Methoxy cation	³A₁	C_3v
260	NH₂OH	hydroxylamine	¹A^'	C_s
261	NH₂OH⁺	Hydroxylamine cation
262	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
263	CH₃SH	Methanethiol	¹A^'	C_s
264	CH₃SH⁺	Methanethiol cation	²A^"	C_s
265	H₂OH₂O	water dimer	¹A^'	C_s
266	LiCl	lithium chloride	¹Σ	C_∞v
267	NaF	sodium fluoride	¹Σ	C_∞v
268	NaCl	Sodium Chloride	¹Σ	C_∞v
269	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
270	ZnF	Zinc monofluoride	²Σ	C_∞v
271	BF	Boron monofluoride	¹Σ	C_∞v
272	ScF	Scandium monofluoride	¹Σ	C_∞v
273	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
274	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
275	CF	Fluoromethylidyne	²Π	C_∞v
276	SiF	silicon monofluoride	²Π	C_∞v
277	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
278	CBr	Carbon monobromide	²Π	C_∞v
279	SiBr	Silicon monobromide	²Π	C_∞v
280	NCl	nitrogen monochloride	³Σ	C_∞v
281	AsF	Arsenic monofluoride	³Σ	C_∞v
282	AsCl	Arsenic monochloride	³Σ	C_∞v
283	FO	Oxygen monofluoride	²Π	C_∞v
284	SF	Monosulfur monofluoride	²Π	C_∞v
285	SeF	Selenium monofluoride	²Π	C_∞v
286	SeCl	Selenium monochloride	²Π	C_∞v
287	F₂	Fluorine diatomic	¹Σ_g	D_∞h
288	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
289	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
290	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
291	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
292	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
293	HCF	Fluoromethylene	¹A^'	C_s
294	HCF	Fluoromethylene	³A^"	C_s
295	HOCl⁺	hypochlorous acid cation
296	ClFH⁺	Chlorine fluoride, F-protonated
297	FClH⁺	Chlorine fluoride, Cl-protonated
298	CH₂F	fluoromethyl radical	²A	C_s
299	CH₃F	Methyl fluoride	¹A₁	C_3v
300	CH₃Cl	Methyl chloride	¹A₁	C_3v
301	NH₄Cl	Ammonium chloride
302	LiNe⁺	Lithium Neon cation
303	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
304	Ar₂	Argon diatomic	¹S_g	D_∞h
305	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
306	C₃	carbon trimer	¹Σ_g	D_∞h
307	C₃	carbon trimer	¹A₁	C_2v
308	C₃H₃	cyclopropenyl radical	²A^'	C_s
309	C₃H₅	Allyl radical	²A₂	C_2v
310	C₃H₅	Allyl radical	²A^"	C_s
311	C₃H₆	Cyclopropane	¹A₁^'	D_3h
312	CH₂CHCH₃	Propene	¹A^'	C_s
313	LiCN	lithium cyanide	¹Σ	C*V LiCN
314	LiCN	lithium cyanide	¹A^'	C_s
315	LiCN	lithium cyanide	¹Σ	C*V LiNC
316	NaCN	Sodium Cyanide	¹Σ	C_∞v
317	NaCN	Sodium Cyanide	¹A	C_s
318	KCN	Potassium cyanide	¹Σ	C_∞v
319	KCN	Potassium cyanide	¹Σ	C_∞v
320	KCN	Potassium cyanide	¹A^'	C_s
321	N₃	azide radical	²Π_g	D_∞h
322	N₃⁺	azide cation	³Σ_g	D_∞h
323	N₃⁺	azide cation	³Σ	C_∞v
324	HCCN	cyanomethylene	³A^"	C_s
325	NH₂CN	cyanamide	¹A₁	C_2v
326	CH₂CHNH	vinylazine	²A^"	CS cis
327	Li₂O	dilithium oxide	¹Σ_g	D_∞h
328	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
329	Li₂S	dilithium sulfide	¹A₁	C_2v
330	Na₂O	disodium monoxide	¹Σ_g	Linear
331	CCO	Dicarbon monoxide	³Σ	C_∞v
332	CCO	Dicarbon monoxide	¹Π	C_∞v
333	NCO	isocyanato radical	²Π	C_∞v
334	N₂O	Nitrous oxide	¹Σ	C_∞v
335	N₂O^-	Nitrous oxide anion	²A^'	C_s
336	CO₂	Carbon dioxide	¹Σ_g	D_∞h
337	OCS	Carbonyl sulfide	¹Σ	C_∞v
338	TiO₂	Titanium dioxide	¹A₁	C_2v
339	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
340	NO₂	Nitrogen dioxide	²A₁	C_2v
341	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
342	O₃	Ozone	¹A₁	C_s
343	SO₂	Sulfur dioxide	¹A₁	C_2v
344	S₃	Sulfur trimer	¹A₁	C_2v
345	S₃⁺	Sulfur trimer cation	²B₂	C_2v
346	HCNO	fulminic acid	¹Σ	C_∞v
347	HCNO	fulminic acid	¹A^'	C_s
348	HNCS	Isothiocyanic acid
349	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
350	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
351	O₃H⁺	protonated ozone	¹A^'	C_s
352	Be(OH)₂	Beryllium hydroxide
353	Be(OH)₂	Beryllium hydroxide
354	Be(OH)₂	Beryllium hydroxide
355	H₂COO	Dioxymethyl radical	²A^'	C_s
356	HCOOH	Formic acid	¹A^'	C_s
357	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
358	BH₃CO	Borane carbonyl	¹A₁	C_3v
359	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
360	CH₃NO	nitrosomethane	¹A^'	C_s
361	CuF₂	Copper difluoride	²Π_g	D_∞h
362	CNF	iso cyanogen fluoride	¹Σ	C_∞v
363	FCO	Carbonyl fluoride	²A^'	C_s
364	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
365	ClCO	carbonyl monochloride	²A^'	C_s
366	BF₂	Boron difluoride radical	²A₁	C_2v
367	FSN	Thiazyl fluoride	¹A^'	C_s
368	CF₂	Difluoromethylene	¹A₁	D_∞h
369	CFCl	chlorofluoromethylene	¹A^'	C_s
370	OClO^-	Chlorine dioxide anion	¹A^'	C_s
371	F₃^-	trifluoride anion	¹Σ_g	D_∞h
372	HFCO⁺	formyl fluoride cation	²A^'	C_s
373	C₄H₄	Tetrahedrane
374	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
375	Li₃N	trilithium nitride	¹A^'	D_3h
376	C₂N₂	Cyanogen	¹Σ_g	D_∞h
377	C₄H₈	cyclobutane	¹A₁	D_2d
378	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
379	C₃O	Tricarbon monoxide	¹Σ	C_∞v
380	ONNO	NO dimer	¹A_g	trans C2H
381	NH₂COOH	Carbamic acid	¹A^'	C_s
382	NH₂COOH	Carbamic acid	¹A	C₁
383	NH₂CONH₂	Urea	¹A₁	C_2v
384	C₃H₆O	Oxetane	¹A₁	C_2v
385	C₃H₆O	Oxetane	¹A^'	C_s
386	BF₃	Borane, trifluoro-	¹A^'	D_3h
387	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
388	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
389	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
390	BrONO₂	Bromine nitrate	¹A^'	C_s
391	TiF₄	Titanium tetrafluoride	¹A₁	T_d
392	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
393	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h

count

Species

Name

State

Conformation

Hydrogen atom

¹S

K_h

Helium atom

¹S

K_h

Helium atom

Lithium atom

²S

K_h

Potassium hydride

¹Σ

C_∞v

MgH

magnesium monohydride

²Σ

C_∞v

MgH₂

magnesium dihydride

¹Σ_g

D_∞h

Boron atom

²P

K_h

Al^-

Aluminum atom anion

³P

K_h

Boron monohydride

¹Σ

C_∞v

Boron monohydride

³Π

C_∞v

ScH

Scandium monohydride

¹Σ

C_∞v

BH₃⁺

boron trihydride cation

²B₂

C_2v

BH₃⁺

boron trihydride cation

C_2v

AlH₃

aluminum trihydride

¹A₁^'

D_3h

AlH₃^-

aluminum trihydride anion

C_3v

ScH₃

Scandium trihydride

¹A₁^'

D_3h

ScH₃

Scandium trihydride

¹A₁

C_3v

BH₄

borohydride

²B₂

C_2v

BH₄^-

borohydride anion

¹A₁

T_d

Carbon atom

³P₀

K_h

Carbon atom

³P₁

K_h

C^-

Carbon atom anion

²D

K_h

Silicon atom

³P

K_h

Silicon atom

¹S

K_h

Si^-

Silicon atom anion

⁴S

K_h

SiH

Silylidyne

²Π

C_∞v

SiH⁺

silicon monohydride cation

¹Σ

C_∞v

GeH

germylidene

²Π

C_∞v

GeH⁺

Germaniun monohyrdide cation

¹Σ

C_∞v

CH₂

Methylene

³B₁

C_2v

CH₂

Methylene

³Σ_G

D_∞h

CH₂

Methylene

¹A₁

C_2v

CH₂^-

methylene anion

²B₁

C_2v

CH₂⁺

methylene cation

²A₁

C_2v

CH₂⁺

methylene cation

²Π

D_∞h

GeH₂

germylene

¹A₁

C_2v

CH₃

Methyl radical

²A₁

D_3h

CH₃^-

methyl anion

¹A₁

C_3v

CH₃⁺

methyl cation

¹A₁^'

D_3h

SiH₃

Silyl radical

²A₁

C_3v

SiH₃⁺

Silyl cation

¹A₁^'

D_3h

CH₄

Methane

¹A₁

T_d

CH₄^-

Methane anion

²A₁

T_d

CH₄^-

Methane anion

²A₁

C_3v

SiH₂D₂

silane-d2

SiH₄

Silane

¹A₁

T_d

GeH₄

Germane

¹A₁

T_d

SiH₅⁺

Silane, protonated

Nitrogen atom

⁴S

K_h

Nitrogen atom

²D

K_h

N⁺

Nitrogen atom cation

³P

K_h

Phosphorus atom

⁴S

K_h

Vanadium atom

⁴F

K_h

V⁺

Vanadium atom cation

⁵D

K_h

Arsenic atomic

⁴S

K_h

As^-

Arsenic anion

³P

K_h

As⁺

Arsenic cation

³P

K_h

phosphorus monohydride

³Σ^-

C_∞v

NH₂

Amino radical

²B₁

C_2v

NH₂⁺

Amino cation

³B₁

C_2v

NH₂⁺

Amino cation

¹A₁

C_2v

NH₃

Ammonia

¹A₁

C_3v

NH₃^-

Ammonia anion

²A₁

C_3v

NH₃⁺

ammonia cation

²A₂^"

D_3h

PH₃

Phosphine

¹A₁

C_3v

PH₃⁺

Phosphine cation

²A₁

C_3v

NH₄⁺

ammonium cation

¹A₁

T_d

PH₄

Phosphoranyl radical

PH₄⁺

phosphonium cation

Oxygen atom

³S

K_h

O⁺

Oxygen atom cation

⁴S

K_h

Sulfur atom

³P

K_h

S^-

Sulfur atom anion

²P

K_h

S⁺

Sulfur atom cation

⁴S

K_h

Hydroxyl radical

²Π

C_∞v

OH^-

hydroxide anion

¹Σ

C_∞v

OH⁺

hydoxyl cation

³Σ

C_∞v

Mercapto radical

²Π

C_∞v

HS^-

mercapto anion

¹Σ

C_∞v

HS⁺

sulfur monohydride cation

³Σ

C_∞v

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

Fluorine atom

²P

K_h

F^-

Fluorine atom anion

¹S

K_h

F⁺

Fluorine atom cation

³S

K_h

F⁺

Fluorine atom cation

¹D

K_h

Chlorine atom

²P

K_h

100

Cl^-

Chlorine atom anion

¹S

K_h

101

Cl⁺

Chlorine atom cation

³P

K_h

102

Cl⁺

Chlorine atom cation

¹D

K_h

103

Hydrogen fluoride

¹Σ

C_∞v

104

HCl

Hydrogen chloride

¹Σ

C_∞v

105

HCl⁺

hydrogen chloride cation

²Π

C_∞v

106

HBr

hydrogen bromide

¹Σ

C_∞v

107

H₂Cl⁺

dihydrogen monochloride cation

¹A₁

C_2v

108

H₂Br⁺

protonated hydrogen bromide

²A₁

C_2v

109

Neon atom

¹S

K_h

110

Neon atom

111

Ne⁺

Neon atom cation

²P

K_h

112

Argon atom

¹S

K_h

113

Krypton atom

¹S

K_h

114

Kr⁺

Krypton cation

²P

K_h

115

NeH

neon hydrogen

²Σ

C_∞v

116

ArH⁺

Argon hydride cation

¹Σ

C_∞v

117

KrH⁺

Protonated Krypton

¹Σ

C_∞v

118

Na₂

Sodium diatomic

¹Σ_g

D_∞h

119

Na₂^-

sodium diatomic anion

²Σ_u

D_∞h

120

Na₂⁺

sodium diatomic cation

²Σ_g

D_∞h

121

NaK⁺

Sodium Potassium diatomic cation

122

Be₂

Beryllium diatomic

¹Σ_g

D_∞h

123

BeMg

Beryllium Magnesium

¹Σ

C_∞v

124

NaAl

Sodium aluminum

¹Σ

C_∞v

125

BeB

Beryllium monoboride

²Π

C_∞v

126

B₂

Boron diatomic

¹Σ_g

D_∞h

127

B₂⁺

Boron diatomic cation

²Π

D_∞h

128

BAl

Boron Aluminum

³Σ

C_∞v

129

BGa

Boron Gallium

³Σ

C_∞v

130

AlGa

Aluminum Gallium

³Σ

C_∞v

131

AlGa

Aluminum Gallium

¹Σ

C_∞v

132

Ga₂

Gallium diatomic

³P_iu

133

HBBH

Diborane(2)

³Σ_G

D_∞h

134

B₂H₄

Diborane(4) D2d

¹A₁

D_2d

135

HBHHBH

Diborane(4) C2V

¹A₁

C_2v

136

B₂H₆

Diborane

¹A_g

D_2h

137

B₂H₆⁺

Diborane cation

138

Ga₂H₆

digallane

¹A_G

D_2h

139

BeC

Beryllium Carbide

³Σ^-

C_∞v

140

CaC

Calcium monocarbide

141

AlC

Aluminum carbide

⁴Σ

C_∞v

142

BSi

Boron silicide

⁴Σ

C_∞v

143

BSi

Boron silicide

²Σ

C_∞v

144

C₂

Carbon diatomic

¹Σ_g⁺

D_∞h

145

C₂

Carbon diatomic

³Π_u

D_∞h

146

C₂

Carbon diatomic

³Σ_g^-

147

C₂⁺

carbon diatomic cation

⁴Σ_g

D_∞h

148

SiGe

Silicon Germanium

149

C₂H

Ethynyl radical

²Σ

C_∞v

150

C₂H^-

Ethynyl anion

¹Σ

C_∞v

151

C₂H₂

Acetylene

¹Σ_g

D_∞h

152

C₂H₂⁺

acetylene cation

²Π_u

D_∞h

153

H₂CC^-

vinylidene anion

154

CH₃Li

methyl lithium

¹A₁

C_3v

155

CH₂BH

methyleneborane

¹A₁

C_2v

156

C₂H₃

vinyl

²A^'

C_s

157

C₂H₃^-

vinyl anion

¹A^'

C_s

158

C₂H₄

Ethylene

¹A_g

D_2h

159

C₂H₄^-

Ethylene anion

²A_g

C_2h

160

C₂H₄⁺

Ethylene cation

²B₃

D₂

161

CH₃BH₂

methylborane

¹A^'

C_s

162

C₂H₅

Ethyl radical

²A^'

C_s

163

C₂H₆

Ethane

¹A_1g

D_3d

164

Si₂H₆

disilane

¹E_u

D_3d

165

LiP

Lithium monophosphide

166

LiP

Lithium monophosphide

167

BeN⁺

Beryllium mononitride cation

³Σ

C_∞v

168

BeN⁺

Beryllium mononitride cation

¹Σ

C_∞v

169

MgN

Magnesium Nitride

170

Boron monophosphide

³Π

C_∞v

171

Boron monophosphide

¹Σ

C_∞v

172

AlP

Aluminum monophosphide

³Σ

C_∞v

173

AlP

Aluminum monophosphide

³Π

C_∞v

174

AlP

Aluminum monophosphide

¹Σ

C_∞v

175

GaN

Gallium mononitride

¹Σ

C_∞v

176

GaP

Gallium monophosphide

³Σ

C_∞v

177

GaP

Gallium monophosphide

¹Σ

C_∞v

178

GaAs

Gallium arsenide

³Π

179

GaAs

Gallium arsenide

¹Σ

180

boron nitride

³Π

C_∞v

181

boron nitride

¹Σ

C_∞v

182

Cyano radical

²Σ

C_∞v

183

CN^-

cyanide anion

¹Σ

C_∞v

184

SiP

Silicon monophosphide

²Π

C_∞v

185

N₂

Nitrogen diatomic

¹Σ_g

D_∞h

186

N₂^-

nitrogen diatomic anion

²Π_g

D_∞h

187

HCN

Hydrogen cyanide

¹Σ

C_∞v

188

HCN⁺

hydrogen cyanide cation

²Π

C_∞v

189

HNC⁺

hydrogen isocyanide cation

190

NNH⁺

Dinitrogen monohydride cation

¹Σ

C_∞v

191

N₂H₂

(E)-diazene

¹A_g

C_2h

192

N₂H₂

(Z)-Diazene

¹A₁

C_2v

193

N₂H₂⁺

trans-diazene cation

²A_G

C_2h

194

CH₂NH⁺

Methanimine cation

195

CH₂NH₂⁺

methyleneamine cation

¹A₁

C_2v

196

N₂H₄⁺

hydrazine cation

²A_G

C_2h

197

CH₃NH₂

methyl amine

¹A^'

C_s

198

CH₃NH₂⁺

methyl amine cation

²A^'

C_s

199

BH₃PH₃

borane phosphine

200

NH₃NH₃

Ammonia Dimer

¹A_g

C_2h

201

N₂H₇⁺

ammonia ammonium dimer

202

LiO

lithium oxide

²Σ

C_∞v

203

LiS

Lithium monosulfide

²Π

C_∞v

204

LiS⁺

Lithium sulfide cation

³Σ

C_∞v

205

NaO

sodium monoxide

²Σ

C_∞v

206

Potassium monoxide

²Σ

C_∞v

207

KO⁺

Potassium monoxide cation

³Σ

C_∞v

208

NaS

Sodium sulfide

²Π

C_∞v

209

CaS

Calcium sulfide

¹Σ

C_∞v

210

boron monoxide

²Σ

C_∞v

211

ScO

Scandium monoxide

²Σ

C_∞v

212

Carbon monoxide

¹Σ

C_∞v

213

CO^-

carbon monoxide anion

²Π

C_∞v

214

CO⁺

carbon monoxide cation

²Σ

C_∞v

215

TiO

Titanium monoxide

³Δ

C_∞v

216

GeO⁺

Germanium monoxide cation

²Σ

C_∞v

217

GeS

Germanium monosulfide

¹Σ

C_∞v

218

SiSe

Silicon Monoselenide

219

SiSe⁺

Silicon Monoselenide cation

220

Nitric oxide

²Π

C_∞v

221

NO^-

nitric oxide anion

³Σ

C_∞v

222

NO⁺

nitric oxide cation

¹Σ

C_∞v

223

Mononitrogen monosulfide

²Π

C_∞v

224

Phosphorus monoxide

²Π

C_∞v

225

phosphorus sulfide

²Σ

C_∞v

226

Vanadium monoxide

⁴Σ^-

227

NSe

Nitrogen monoselenide

²Π

C_∞v

228

AsS

Arsenic monosulfide

²Π

C_∞v

229

PSe

Phosphorus monoselenide

²Π

C_∞v

230

AsSe

Arsenic monoselenide

²Π

C_∞v

231

O₂

Oxygen diatomic

³Σ_g

D_∞h

232

O₂^-

oxygen diatomic anion

²Π

D_∞h

233

SO⁺

sulfur monoxide cation

²Π

C_∞v

234

S₂

Sulfur diatomic

³Σ_g

D_∞h

235

LiOH

lithium hydroxide

¹Σ

C_∞v

236

BeOH

beryllium monohydroxide

²Σ

C_∞v

237

HBO

Boron hydride oxide

¹Σ

C_∞v

238

COH

Hydroxymethylidyne

239

COH⁺

Carbon Monoxide, protonated

¹Σ

C_∞v

240

HCO^-

formyl anion

¹A^'

C_s

241

HNO⁺

Nitrosyl hydride cation

²A^'

C_s

242

NOH

Hydroxyimidogen

³A^"

C_s

243

NOH⁺

O-protonated nitric oxide

²A^'

C_s

244

HO₂

Hydroperoxy radical

²A^"

C_s

245

HO₂⁺

Hydroperoxy cation

³A^"

C_s

246

HSO⁺

Sulfur Monoxide, S-protonated

247

SOH⁺

Sulfur Monoxide, protonated

248

H₂CO

Formaldehyde

¹A₁

C_2v

249

H₂CO^-

formaldehyde anion

²A^'

C_s

250

H₂CO⁺

formaldehyde cation

²B₂

C_2v

251

H₂CS

Thioformaldehyde

¹A₁

C_2v

252

H₂NO

nitroxide

²B₁

C_2v

253

H₂NO

nitroxide

²A^'

C_s

254

H₂O₂

Hydrogen peroxide

¹A

C₂

255

H₂O₂

Hydrogen peroxide

¹A_g

C_2h

256

H₂S₂

Disulfane

¹A

C₂

257

H₂S₂⁺

hydrogen disulfide cation

²B_g

C_2h

258

CH₂OH

Hydroxymethyl radical

²A

C₁

259

CH₃O⁺

Methoxy cation

³A₁

C_3v

260

NH₂OH

hydroxylamine

¹A^'

C_s

261

NH₂OH⁺

Hydroxylamine cation

262

CH₃OH^-

Methyl alcohol anion

²A^'

C_s

263

CH₃SH

Methanethiol

¹A^'

C_s

264

CH₃SH⁺

Methanethiol cation

²A^"

C_s

265

H₂OH₂O

water dimer

¹A^'

C_s

266

LiCl

lithium chloride

¹Σ

C_∞v

267

NaF

sodium fluoride

¹Σ

C_∞v

268

NaCl

Sodium Chloride

¹Σ

C_∞v

269

MgF⁺

magnesium fluoride cation

¹Σ

C_∞v

270

ZnF

Zinc monofluoride

²Σ

C_∞v

271

Boron monofluoride

¹Σ

C_∞v

272

ScF

Scandium monofluoride

¹Σ

C_∞v

273

GaF⁺

Gallium monofluoride cation

²Σ

C_∞v

274

GaCl⁺

Gallium monochloride cation

²Σ

C_∞v

275

Fluoromethylidyne

²Π

C_∞v

276

SiF

silicon monofluoride

²Π

C_∞v

277

SiF⁺

silicon monofluoride cation

¹Σ

C_∞v

278

CBr

Carbon monobromide

²Π

C_∞v

279

SiBr

Silicon monobromide

²Π

C_∞v

280

NCl

nitrogen monochloride

³Σ

C_∞v

281

AsF

Arsenic monofluoride

³Σ

C_∞v

282

AsCl

Arsenic monochloride

³Σ

C_∞v

283

Oxygen monofluoride

²Π

C_∞v

284

Monosulfur monofluoride

²Π

C_∞v

285

SeF

Selenium monofluoride

²Π

C_∞v

286

SeCl

Selenium monochloride

²Π

C_∞v

287

F₂

Fluorine diatomic

¹Σ_g

D_∞h

288

F₂^-

flourine diatomic anion

²Σ_u

D_∞h

289

F₂⁺

flourine diatomic cation

²Π_g

D_∞h

290

ClF

Chlorine monofluoride

¹Σ⁺

C_∞v

291

Cl₂

Chlorine diatomic

¹Σ_g

D_∞h

292

Cl₂⁺

chlorine diatomic cation

²Π_g

D_∞h

293

HCF

Fluoromethylene

¹A^'

C_s

294

HCF

Fluoromethylene

³A^"

C_s

295

HOCl⁺

hypochlorous acid cation

296

ClFH⁺

Chlorine fluoride, F-protonated

297

FClH⁺

Chlorine fluoride, Cl-protonated

298

CH₂F

fluoromethyl radical

²A

C_s

299

CH₃F

Methyl fluoride

¹A₁

C_3v

300

CH₃Cl

Methyl chloride

¹A₁

C_3v

301

NH₄Cl

Ammonium chloride

302

LiNe⁺

Lithium Neon cation

303

Ne₂⁺

Neon diatomic cation

²Σ_u

D_∞h

304

Ar₂

Argon diatomic

¹S_g

D_∞h

305

Ar₂⁺

Argon diatomic cation

²Σ_u

D_∞h

306

C₃

carbon trimer

¹Σ_g

D_∞h

307

C₃

carbon trimer

¹A₁

C_2v

308

C₃H₃

cyclopropenyl radical

²A^'

C_s

309

C₃H₅

Allyl radical

²A₂

C_2v

310

C₃H₅

Allyl radical

²A^"

C_s

311

C₃H₆

Cyclopropane

¹A₁^'

D_3h

312

CH₂CHCH₃

Propene

¹A^'

C_s

313

LiCN

lithium cyanide

¹Σ

C*V LiCN

314

LiCN

lithium cyanide

¹A^'

C_s

315

LiCN

lithium cyanide

¹Σ

C*V LiNC

316

NaCN

Sodium Cyanide

¹Σ

C_∞v

317

NaCN

Sodium Cyanide

¹A

C_s

318

KCN

Potassium cyanide

¹Σ

C_∞v

319

KCN

Potassium cyanide

¹Σ

C_∞v

320

KCN

Potassium cyanide

¹A^'

C_s

321

N₃

azide radical

²Π_g

D_∞h

322

N₃⁺

azide cation

³Σ_g

D_∞h

323

N₃⁺

azide cation

³Σ

C_∞v

324

HCCN

cyanomethylene

³A^"

C_s

325

NH₂CN

cyanamide

¹A₁

C_2v

326

CH₂CHNH

vinylazine

²A^"

CS cis

327

Li₂O

dilithium oxide

¹Σ_g

D_∞h

328

Li₂S

dilithium sulfide

¹Σ_G

D_∞h

329

Li₂S

dilithium sulfide

¹A₁

C_2v

330

Na₂O

disodium monoxide

¹Σ_g

Linear

331

CCO

Dicarbon monoxide

³Σ

C_∞v

332

CCO

Dicarbon monoxide

¹Π

C_∞v

333

NCO

isocyanato radical

²Π

C_∞v

334

N₂O

Nitrous oxide

¹Σ

C_∞v

335

N₂O^-

Nitrous oxide anion

²A^'

C_s

336

CO₂

Carbon dioxide

¹Σ_g

D_∞h

337

OCS

Carbonyl sulfide

¹Σ

C_∞v

338

TiO₂

Titanium dioxide

¹A₁

C_2v

339

SiS₂

Silicon disulfide

¹Σ_G

D_∞h

340

NO₂

Nitrogen dioxide

²A₁

C_2v

341

NO₂⁺

Nitrogen dioxide cation

¹Σ_G

D_∞h

342

O₃

Ozone

¹A₁

C_s

343

SO₂

Sulfur dioxide

¹A₁

C_2v

344

S₃

Sulfur trimer

¹A₁

C_2v

345

S₃⁺

Sulfur trimer cation

²B₂

C_2v

346

HCNO

fulminic acid

¹Σ

C_∞v

347

HCNO

fulminic acid

¹A^'

C_s

348

HNCS

Isothiocyanic acid

349

HNNO⁺

Nitrous oxide, N-protonated

¹A^'

C_s

350

NNOH⁺

Nitrous Oxide, O-protonated

¹A^'

C_s

351

O₃H⁺

protonated ozone

¹A^'

C_s

352

Be(OH)₂

Beryllium hydroxide

353

Be(OH)₂

Beryllium hydroxide

354

Be(OH)₂

Beryllium hydroxide

355

H₂COO

Dioxymethyl radical

²A^'

C_s

356

HCOOH

Formic acid

¹A^'

C_s

357

CH₂BOH

hydroxy(methylene)borane

¹A^'

C_s

358

BH₃CO

Borane carbonyl

¹A₁

C_3v

359

CH₃BO

Borane, methyloxo-

¹A₁

C_3v

360

CH₃NO

nitrosomethane

¹A^'

C_s

361

CuF₂

Copper difluoride

²Π_g

D_∞h

362

CNF

iso cyanogen fluoride

¹Σ

C_∞v

363

FCO

Carbonyl fluoride

²A^'

C_s

364

FCO⁺

Carbonyl fluoride cation

¹Σ

C_∞v

365

ClCO

carbonyl monochloride

²A^'

C_s

366

BF₂

Boron difluoride radical

²A₁

C_2v

367

FSN

Thiazyl fluoride

¹A^'

C_s

368

CF₂

Difluoromethylene

¹A₁

D_∞h

369

CFCl

chlorofluoromethylene

¹A^'

C_s

370

OClO^-

Chlorine dioxide anion

¹A^'

C_s

371

F₃^-

trifluoride anion

¹Σ_g

D_∞h

372

HFCO⁺

formyl fluoride cation

²A^'

C_s

373

C₄H₄

Tetrahedrane

374

CH₃CH₂CH₂CH₃

Butane

¹A_g

Anti

375

Li₃N

trilithium nitride

¹A^'

D_3h

376

C₂N₂

Cyanogen

¹Σ_g

D_∞h

377

C₄H₈

cyclobutane

¹A₁

D_2d

378

P(CH₃)₃

trimethylphosphine

¹A₁

C_3v

379

C₃O

Tricarbon monoxide

¹Σ

C_∞v

380

ONNO

NO dimer

¹A_g

trans C2H

381

NH₂COOH

Carbamic acid

¹A^'

C_s

382

NH₂COOH

Carbamic acid

¹A

C₁

383

NH₂CONH₂

Urea

¹A₁

C_2v

384

C₃H₆O

Oxetane

¹A₁

C_2v

385

C₃H₆O

Oxetane

¹A^'

C_s

386

BF₃

Borane, trifluoro-

¹A^'

D_3h

387

AlF₃

Aluminum trifluoride

¹A₁^'

D_3h

388

NBr₃

Nitrogen Tribromide

¹A₁

C_3v

389

C₄H₆N⁺

pyrrole, beta-protonated

¹A^'

C_s

390

BrONO₂

Bromine nitrate

¹A^'

C_s

391

TiF₄

Titanium tetrafluoride

¹A₁

T_d

392

PF₆^-

Hexafluorophosphate ion

¹A_1G

O_h

393

C₃H₃N₃O₃

cyanuric acid

¹A₁^'

D_3h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H^-	Hydrogen atom anion	h-
5	H⁺	Hydrogen atom cation	h+
6	D₂	Deuterium diatomic	d2
7	H₂	Hydrogen diatomic	h2
8	H₂^-	hydrogen diatomic anion	h2-
9	H₂⁺	Hydrogen cation	h2+
10	HD	Deuterium hydride	hd
11	H₃⁺	hydrogen trimer cation	h3+
12	He^-	Helium atom anion	he-
13	He⁺	Helium atom cation	he+
14	HeH	Helium hydride	heh
15	HeH⁺	Helium hydride cation	heh+
16	He₂⁺	helium diatomic cation	he2+
17	Li^-	Lithium atom anion	li-
18	Li⁺	Lithium atom cation	li+
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	lih
28	LiH^-	lithium hydride anion	lih-
29	LiH⁺	lithium hydride cation	lih+
30	NaH	sodium hydride	nah
31	NaH^-	sodium hydride anion	nah-
32	NaH⁺	sodium hydride cation	nah+
33	KH⁺	Potassium hydrogen cation	kh+
34	CuH	Copper monohydride	cuh
35	Be^-	Beryllium atom anion	be-
36	Be⁺	Beryllium atom cation	be+
37	Mg^-	Magnesium atom anion	mg-
38	Mg⁺	Magnesium atom cation	mg+
39	Ca	Calcium atom	ca
40	Ca^-	Calcium atom anion	ca-
41	Ca⁺	Calcium atom cation	ca+
42	Zn	Zinc atom	zn
43	Zn^-	Zinc atom anion	zn-
44	Zn⁺	Zinc atom cation	zn+
45	BeH	beryllium monohydride	beh
46	BeH^-	berylium monohydride anion	beh-
47	BeH⁺	beryllium monohydride cation	beh+
48	MgH^-	magnesium monohydride anion	mgh-
49	MgH⁺	magnesium monohydride cation	mgh+
50	CaH	Calcium monohydride	cah
51	CaH⁺	Calcium monohydride cation	cah+
52	TiH	Titanium monohydride	tih
53	ZnH	Zinc monohydride	znh
54	ZnH⁺	Zinc, protonated	znh+
55	BeH₂	beryllium dihydride	beh2
56	BeH₂⁺	Beryllium dihydride cation	beh2+
57	CaH₂	Calcium Hydride	cah2
58	ZnH₂	Zinc hydride	znh2
59	B^-	Boron atom anion	b-
60	Al⁺	Aluminum atom cation	al+
61	Sc⁺	Scandium cation	sc+
62	Ga	Gallium atom	ga
63	Ga^-	Gallium atom anion	ga-
64	Ga⁺	Gallium atom cation	ga+
65	BH^-	boron monohydride anion	bh-
66	BH⁺	boron monohydride cation	bh+
67	AlH	aluminum monohydride	alh
68	AlH^-	aluminum monohydride anion	alh-
69	AlH⁺	aluminum monohydride cation	alh+
70	ScH⁺	Scandium monohydride cation	sch+
71	GaH	Gallium monohydride	gah
72	BH₂	boron dihydride	bh2
73	BH₂^-	boron dihydride anion	bh2-
74	BH₂⁺	Boron dihydride cation	bh2+
75	AlH₂	aluminum dihydride	alh2
76	AlH₂^-	aluminum dihydride anion	alh2-
77	AlH₂⁺	aluminum dihydride cation	alh2+
78	BH₃	boron trihydride	bh3
79	BH₃^-	boron trihydride anion	bh3-
80	AlH₃⁺	aluminum trihydride cation	alh3+
81	GaH₃	Gallium trihydride	gah3
82	AlH₄^-	Aluminum tetrahydride anion	alh4-
83	C^-	Carbon atom anion	c-
84	C⁺	Carbon atom cation	c+
85	Si⁺	Silicon atom cation	si+
86	Ti	Titanium atom	ti
87	Ti^-	Titanium atom anion	ti-
88	Ti⁺	Titanium atom cation	ti+
89	Ge	Germanium atom	ge
90	Ge^-	Germanium anion	ge-
91	Ge⁺	Germanium cation	ge+
92	Sn	Tin atom	sn
93	Sn⁺	Tin cation	sn+
94	CH	Methylidyne	ch
95	CH^-	methylidyne anion	ch-
96	CH⁺	Methylidyne cation	ch+
97	SiH^-	silicon monohydride anion	sih-
98	SiH₂	silicon dihydride	sih2
99	SiH₂^-	silicon dihydride anion	sih2-
100	SiH₂⁺	silicon dihydride cation	sih2+
101	GeH₂^-	germylene anion	geh2-
102	SiH₃^-	Silyl anion	sih3-
103	GeH₃	Germyl radical	geh3
104	GeH₃⁺	germyl cation	geh3+
105	CD₄	methane-d4	cd4
106	CH₂D₂	methane-d2	ch2d2
107	CH₃D	methane-d	ch3d
108	CH₄⁺	Methane cation	ch4+
109	CHD₃	methane-d3	chd3
110	SiH₄⁺	Silane cation	sih4+
111	SnH₄	Stannane	snh4
112	N^-	Nitrogen atom anion	n-
113	P^-	Phosphorus atom anion	p-
114	P⁺	Phosphorus atom cation	p+
115	Sb	Antimony atom	sb
116	NH	Imidogen	nh
117	NH^-	Imidogen anion	nh-
118	NH⁺	imidogen cation	nh+
119	PH^-	phosphorus monohydride anion	ph-
120	PH⁺	phosphorus monohydride cation	ph+
121	AsH	Arsenic monohydride	ash
122	AsH⁺	Arsenic monohydride cation	ash+
123	SbH	Antimony monohydride	sbh
124	ND₂	Amidogen-d2	nd2
125	NH₂^-	amino anion	nh2-
126	PH₂	Phosphino radical	ph2
127	PH₂^-	Phosphino anion	ph2-
128	PH₂⁺	Phosphino cation	ph2+
129	AsH₂	Arsenic dihydride	ash2
130	AsH₂⁺	Arsenic dihydride cation	ash2+
131	ND₃	Ammonia-d3	nd3
132	AsH₃	Arsine	ash3
133	AsH₃⁺	Arsine cation	ash3+
134	SbH₃	Stibine	sbh3
135	AsH₄⁺	Arsonium	ash4+
136	NH₄	Ammonium radical	nh4
137	O^-	Oxygen atom anion	o-
138	Cr	Chromium atom	cr
139	Se	Selenium atom	se
140	Se^-	Selenium atom anion	se-
141	Se⁺	Selenium atom cation	se+
142	Te	Tellurium atom	te
143	Te⁺	Tellurium atom cation	te+
144	DO	Hydroxyl-d	od
145	DS	Mercapto-d	ds
146	CrH	Chromium hydride	crh
147	HSe	Selenium monohydride	hse
148	HSe^-	selenium monohydride anion	hse-
149	TeH	Telluryl radical	teh
150	D₂O	Deuterium oxide	d2o
151	D₂S	Hydrogen sulfide-d2	d2s
152	H₂S^-	Hydrogen sulfide anion	h2s-
153	H₂Se⁺	Hydrogen selenide cation	h2se+
154	H₂Te	Hydrogen Telluride	h2te
155	Mn	Manganese atom	mn
156	Br	Bromine atom	br
157	Br^-	Bromine atom anion	br-
158	Br⁺	Bromine atom cation	br+
159	I	Iodine atom	iodine
160	I^-	Iodine atom anion	iodine-
161	I⁺	Iodine atom cation	iodine+
162	DF	Hydrofluoric acid-d	df
163	HF^-	hydrogen fluoride anion	hf-
164	HF⁺	hydrogen fluoride cation	hf+
165	DCl	Hydrochloric acid-d	dcl
166	HCl^-	hydrogen chloride anion	hcl-
167	HBr^-	hydrogen bromide anion	hbr-
168	HBr⁺	hydrogen bromide cation	hbr+
169	HI	Hydrogen iodide	hi
170	HI⁺	Hydrogen iodide cation	hi+
171	H₂F⁺	dihydrogen fluoride cation	h2f+
172	H₂I⁺	Iodonium	h2i+
173	Ne^-	Neon atom anion	ne-
174	Ar^-	Argon atom anion	ar-
175	Ar⁺	Argon atom cation	ar+
176	Fe	Iron atom	fe
177	Xe	Xenon atom	xe
178	HeLi⁺	Helium Lithium cation	heli+
179	NeH⁺	neon hydrogen cation	neh+
180	XeH⁺	Xenon, protonated	xeh+
181	H₂Ar	H2 Ar dimer	h2ar
182	Co	Cobalt atom	cobalt
183	Ni	Nickel atom	ni
184	Li₂	Lithium diatomic	li2
185	Li₂^-	lithium diatomic anion	li2-
186	Li₂⁺	lithium diatomic cation	li2+
187	NaLi	lithium sodium	lina
188	NaLi^-	lithium sodium anion	lina-
189	NaLi⁺	lithium sodium cation	lina+
190	LiK	Lithium Potassium	lik
191	NaK	Sodium Potassium	nak
192	K₂	Potassium diatomic	k2
193	Cu₂	Copper diatomic	cu2
194	LiBe	Lithium Beryllium	libe
195	LiMg	Lithium magnesium	limg
196	NaBe	Sodium Beryllium	nabe
197	NaMg	Sodium Magnesium	namg
198	Be₂^-	Beryllium diatomic anion	be2-
199	Be₂⁺	Beryllium diatomic cation	be2+
200	Mg₂	Magnesium diatomic	mg2
201	Mg₂^-	magnesium diatomic anion	mg2-
202	Mg₂⁺	magnesium diatomic cation	mg2+
203	Ca₂	Calcium diatomic	ca2
204	LiB	Lithium boride	lib
205	LiAl	Lithium Aluminum	lial
206	B₂	Boron diatomic	b2
207	B₂^-	Boron diatomic anion	b2-
208	Al₂	Aluminum diatomic	al2
209	Al₂^-	aluminum diatomic anion	al2-
210	Al₂⁺	aluminum diatomic cation	al2+
211	LiBH₄	Lithium borohydride	libh4
212	Al₂H₆	dialane	al2h6
213	LiC	Lithium Carbide	lic
214	BC	boron monocarbide	bc
215	BC^-	boron monocarbide anion	bc-
216	BC⁺	boron monocarbide cation	bc+
217	C₂^-	carbon diatomic anion	c2-
218	SiC	silicon monocarbide	sic
219	SiC^-	silicon monocarbide anion	sic-
220	SiC⁺	silicon monocarbide cation	sic+
221	Si₂	Silicon diatomic	si2
222	Si₂^-	silcon diatomic anion	si2-
223	Si₂⁺	silcon diatomic cation	si2+
224	GeC	Germanium monocarbide	gec
225	Ge₂	Germanium diatomic	ge2
226	C₂H⁺	Ethynyl cation	c2h+
227	ZnCH₂	Zinc methylene	znch2
228	CCH₂	vinylidene	vinylidene
229	HCCH^-	acetylene anion	c2h2-
230	Si₂H₂	disilyne	si2h2
231	CuCH₃	monomethyl copper	cuch3
232	ZnCH₃	Zinc monomethyl	znch3
233	C₂H₃⁺	vinyl cation	c2h3+
234	CH₃CH	methylmethylene	ch3ch
235	CH₂SiH₂	silaethylene	ch2sih2
236	Si₂H₄	Disilene	si2h4
237	C₂H₅^-	Ethyl anion	c2h5-
238	C₂H₅⁺	Ethyl cation	c2h5+
239	C₂H₆⁺	ethane cation	c2h6+
240	CH₃SiH₃	methyl silane	ch3sih3
241	GeH₃CH₃	methyl germane	geh3ch3
242	C₂H₇⁺	Ethane, protonated	c2h7+
243	LiN	Lithium Nitride	lin
244	LiN⁺	Lithium Nitride cation	lin+
245	BeN	Beryllium mononitride	ben
246	BeN^-	Beryllium mononitride anion	ben-
247	BN^-	boron nitride anion	bn-
248	AlN^-	aluminum mononitride anion	aln-
249	AlN⁺	aluminum mononitride cation	aln+
250	BN⁺	boron nitride cation	bn+
251	AlN	Aluminum nitride	aln
252	CN⁺	Cyano cation	cn+
253	CP	Carbon monophosphide	cp
254	CP^-	carbon monophosphide anion	cp-
255	CP⁺	carbon monophosphide cation	cp+
256	SiN	Silicon nitride	sin
257	SiN^-	silicon mononitride anion	sin-
258	SiN⁺	silicon mononitride cation	sin+
259	SiP^-	Silicon monophosphide anion	sip-
260	SiP⁺	Silicon monophosphide cation	sip+
261	TiN	Titanium mononitride	tin
262	N₂⁺	diatomic nitrogen cation	n2+
263	PN	Phosphorus mononitride	pn
264	PN^-	phosphorus nitride anion	pn-
265	PN⁺	phosphorus nitride cation	pn+
266	P₂	Phosphorus diatomic	p2
267	P₂^-	phosphorus diatomic anion	p2-
268	P₂⁺	phosphorus diatomic cation	p2+
269	AsN	Arsenic mononitride	asn
270	AsP	Arsenic monophosphide	asp
271	SbN	Antimony nitride	sbn
272	As₂	Arsenic diatomic	as2
273	HNB	hydrogen nitrogen boron	hnb
274	HNC	hydrogen isocyanide	hnc
275	HCN^-	Hydrogen cyanide anion	hcn-
276	HCP	Phosphaethyne	hcp
277	HCP⁺	Phosphaethyne cation	hcp+
278	NNH	Dinitrogen monohydride	nnh
279	HPO	Hydrogen phosphorus oxide	hpo
280	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
281	LiNH₂	lithium amide	linh2
282	HBNH	Boranimine	hbnh
283	CNH₂	Aminomethylidyne radical	cnh2
284	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
285	H₂CN	Dihydrogen cyanide radical	h2cn
286	H₂CN⁺	hydrocyanonium cation	h2cn+
287	HCNH	methyleneazane	hcnh
288	HCNH⁺	N-protonated HCN	hcnh+
289	H₂NN	Isodiazene	h2nn
290	CH₂NH	Methanimine	ch3n
291	CHNH₂	aminomethylene	chnh2
292	CHNH₂⁺	Aminocarbene cation	chnh2+
293	CH₂PH	Phosphaethene	ch3p
294	BH₂NH₂	Boranamine	bh2nh2
295	N₂H₄	Hydrazine	n2h4
296	P₂H₄	Diphosphine	p2h4
297	CH₃PH₂	Methyl phosphine	ch3ph2
298	SiH₃NH₂	Silane, amino	sih3nh2
299	N₂H₅⁺	protonated hydrazine	n2h5+
300	BH₃NH₃	borane ammonia	bh3nh3
301	CH₃NH₃	methyl ammonium radical	ch3nh3
302	CH₃NH₃⁺	protonated methylamine	ch3nh3+
303	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
304	LiO^-	lithium oxide anion	lio-
305	LiO⁺	lithium oxide cation	lio+
306	NaO^-	sodium oxide anion	nao-
307	NaO⁺	sodium oxide cation	nao+
308	CuO	Copper Monoxide	cuo
309	LiSe	Lithium monoselenide	lise
310	BeO	beryllium oxide	beo
311	BeO^-	Beryllium monoxide anion	beo-
312	BeO⁺	Beryllium monoxide cation	beo+
313	BeS	beryllium sulfide	bes
314	MgO	magnesium oxide	mgo
315	MgO^-	magnesium oxide anion	mgo-
316	MgO⁺	magnesium oxide cation	mgo+
317	CaO	Calcium monoxide	cao
318	MgS	magnesium sulfide	mgs
319	MgS^-	magnesium sulfide anion	mgs-
320	MgS⁺	magnesium sulfide cation	mgs+
321	ZnO	zinc monoxide	zno
322	ZnS	Zinc sulfide	zns
323	BeS^-	Beryllium monosulfide anion	bes-
324	BeS⁺	Beryllium monosulfide cation	bes+
325	BO^-	boron monoxide anion	bo-
326	AlO	Aluminum monoxide	alo
327	AlO^-	Aluminum monoxide anion	alo-
328	AlO⁺	aluminum monoxide cation	alo+
329	BS	boron sulfide	bs
330	BS^-	boron monosulfide anion	bs-
331	BS⁺	boron monosulfide cation	bs+
332	AlS	Aluminum sulfide	als
333	AlS^-	aluminum monosulfide anion	als-
334	AlS⁺	aluminum monosulfide cation	als+
335	GaO	Gallium monoxide	gao
336	GaS	Gallium monosulfide	gas
337	BO⁺	boron monoxide cation	bo+
338	CS	carbon monosulfide	cs
339	CS^-	carbon monosulfide anion	cs-
340	CS⁺	carbon monosulfide cation	cs+
341	SiO	Silicon monoxide	sio
342	SiO^-	silicon monoxide anion	sio-
343	SiO⁺	silicon monoxide cation	sio+
344	SiS	silicon monosulfide	sis
345	SiS^-	silicon monosulfide anion	sis-
346	SiS⁺	silicon monosulfide cation	sis+
347	CSe	Carbon monoselenide	cse
348	CSe^-	Carbon monoselenide anion	cse-
349	CSe⁺	Carbon monoselenide cation	cse+
350	GeO	Germanium monoxide	geo
351	GeSe	Germanium monoselenide	gese
352	NS^-	nitrogen sulfide anion	ns-
353	NS⁺	nitrogen sulfide cation	ns+
354	PO^-	phosphorus monoxide anion	po-
355	PO⁺	phosphorus monoxide cation	po+
356	PS^-	phosphorus monosulfide anion	ps-
357	PS⁺	phosphorus monosulfide cation	ps+
358	AsO	Arsenic monoxide	aso
359	O₂^--	dioxygen dianion	o2--
360	O₂⁺	diatomic oxygen cation	o2+
361	SO	Sulfur monoxide	so
362	SO^-	sulfur monoxide anion	so-
363	S₂^-	sulfur diatomic anion	s2-
364	S₂⁺	sulfur diatomic cation	s2+
365	SeO	Selenium monoxide	seo
366	SeO^-	selenium monoxide anion	seo-
367	SeO⁺	selenium monoxide cation	seo+
368	SeS	Selenium monosulfide	ses
369	SeS^-	selenium monosulfide anion	ses-
370	SeS⁺	selenium monosulfide cation	ses+
371	TeO	Tellurium monoxide	teo
372	Se₂	Selenium diatomic	se2
373	Se₂^-	selenium diatomic anion	se2-
374	Se₂⁺	selenium diatomic cation	se2+
375	Te₂	Tellurium diatomic	te2
376	NaOH	sodium hydroxide	naoh
377	KOH	Potassium hydroxide	koh
378	MgOH	magnesium hydroxide	mgoh
379	CaOH	Calcium monohydroxide	caoh
380	HBS	hydrogen boron sulfide	hbs
381	HCO	Formyl radical	hco
382	HCO⁺	Formyl cation	hco+
383	HCS	Thioformyl radical	hcs
384	HCS^-	Thioformyl anion	hcs-
385	HCS⁺	Thioformyl cation	hcs+
386	HNO	Nitrosyl hydride	hno
387	HNO^-	Nitrosyl hydride anion	hno-
388	HNS	Sulfur imide	hns
389	HNS^-	Sulfur imide anion	hns-
390	HO₂^-	Hydroperoxy anion	ho2-
391	SOH	Sulfur Hydroxide	soh
392	HS₂	Thiosulfeno radical	hs2
393	HOCH	hydroxycarbene	hoch
394	H₂CS^-	thioformaldehyde anion	h2cs-
395	H₂CS⁺	thioformaldehyde cation	h2cs+
396	H₂CSe	Selenoformaldehyde	h2cse
397	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
398	H₂OO	water oxide	h2oo
399	HOSH	hydrogen thioperoxide	hosh
400	H₂Se₂	hydrogen diselenide	h2se2
401	CH₂OH⁺	hydroxymethyl cation	ch2oh+
402	CH₃O	Methoxy radical	ch3o
403	CH₃O^-	methoxy anion	ch3o-
404	CH₃S	thiomethoxy	ch3s
405	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
406	NH₃O	Ammonia Oxide	nh3o
407	H₂POH	Phosphinous acid	h2poh
408	H₃PO	Phosphine oxide	h3po
409	NH₂SH	Thiohydroxylamine	nh2sh
410	NH₃S	sulfidoazane	nh3s
411	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
412	CH₃OH	Methyl alcohol	ch3oh
413	CH₃OH⁺	Methyl alcohol cation	ch3oh+
414	SiH₃OH	silanol	sih3oh
415	CH₃SeH	Methane selenol	ch3seh
416	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
417	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
418	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
419	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
420	H₂ONH₃	Water Ammonia Dimer	h2onh3
421	H₅O₂⁺	Dihydroxonium ion	h5o2+
422	LiF	lithium fluoride	lif
423	LiCl^-	lithium chloride anion	licl-
424	LiCl⁺	lithium chloride cation	licl+
425	NaF^-	sodium fluoride anion	naf-
426	NaF⁺	sodium fluoride cation	naf+
427	KF	Potassium Fluoride	kf
428	NaCl^-	sodium chloride anion	nacl-
429	NaCl⁺	sodium chloride cation	nacl+
430	KCl	Potassium Chloride	kcl
431	CuF	Copper monofluoride	cuf
432	LiBr	Lithium Bromide	libr
433	LiBr^-	lithium bromide anion	libr-
434	LiBr⁺	lithium bromide cation	libr+
435	CuCl	Copper monochloride	cucl
436	NaBr	Sodium Bromide	nabr
437	NaBr^-	sodium bromide anion	nabr-
438	NaBr⁺	sodium bromide cation	nabr+
439	KBr	Potassium Bromide	kbr
440	LiI	Lithium Iodide	lii
441	NaI	Sodium Iodide	nai
442	KI	Potassium Iodide	ki
443	LiF^-	lithium fluoride anion	lif-
444	LiF⁺	lithium fluoride cation	lif+
445	BeF	Beryllium monofluoride	bef
446	BeF^-	Beryllium monofluoride anion	bef-
447	BeF⁺	Beryllium monofluoride cation	bef+
448	BeCl	beryllium monochloride	becl
449	MgF	Magnesium monofluoride	mgf
450	MgF^-	magnesium fluoride anion	mgf-
451	CaF	Calcium monofluoride	caf
452	MgCl	magnesium monochloride	mgcl
453	MgCl^-	magnesium monochloride anion	mgcl-
454	MgCl⁺	magnesium monochloride cation	mgcl+
455	CaCl	calcium monochloride	cacl
456	TiCl	Titanium Monochloride	ticl
457	ZnF^-	Zinc monofluoride anion	znf-
458	ZnF⁺	Zinc monofluoride cation	znf+
459	ZnCl	Zinc monochloride	zncl
460	CaBr	Calcium monobromide	cabr
461	BeCl^-	beryllium monochloride anion	becl-
462	BeCl⁺	beryllium monochloride cation	becl+
463	BF^-	Boron monofluoride anion	bf-
464	BF⁺	Boron monofluoride cation	bf+
465	AlF	Aluminum monofluoride	alf
466	AlF^-	Aluminum monofluoride anion	alf-
467	AlF⁺	Aluminum monofluoride cation	alf+
468	BCl	boron monochloride	bcl
469	BCl^-	boron monochloride anion	bcl-
470	BCl⁺	boron monochloride cation	bcl+
471	AlCl	Aluminum monochloride	alcl
472	AlCl^-	aluminum monochloride anion	alcl-
473	AlCl⁺	aluminum monochloride cation	alcl+
474	BBr	Boron monobromide	bbr
475	GaF	Gallium monofluoride	gaf
476	AlBr	Aluminum monobromide	albr
477	GaCl	Gallium monochloride	gacl
478	AlI	Aluminum monoiodide	ali
479	GaBr	Gallium monobromide	gabr
480	CF^-	carbon monofluoride anion	cf-
481	CF⁺	carbon monofluoride cation	cf+
482	CCl	carbon monochloride	ccl
483	CCl^-	carbon monochloride anion	ccl-
484	CCl⁺	carbon monochloride cation	ccl+
485	SiF^-	silicon monofluoride anion	sif-
486	SiCl	Clorosilylidyne	sicl
487	SiCl^-	silicon monochloride anion	sicl-
488	SiCl⁺	silicon monochloride cation	sicl+
489	GeF	Germanium monofluoride	gef
490	GeF⁺	Germanium monofluoride cation	gef+
491	GeCl	Germanium monochloride	gecl
492	GeCl⁺	Germanium monochloride cation	gecl+
493	SiBr⁺	Silicon monobromide cation	sibr+
494	NF	nitrogen fluoride	nf
495	NF^-	nitrogen monofluorine anion	nf-
496	NF⁺	nitrogen monofluoirde cation	nf+
497	NCl^-	nitrogen monochloride anion	ncl-
498	NCl⁺	nitrogen monochloride cation	ncl+
499	PF	phosphorus monofluoride	pf
500	PF^-	phosphorus monofluoride anion	pf-

count

Species

Name

file name

problem

Deuterium atom

D^-

Deuterium atom anion

D⁺

Deuterium atom cation

H^-

Hydrogen atom anion

H⁺

Hydrogen atom cation

D₂

Deuterium diatomic

H₂

Hydrogen diatomic

H₂^-

hydrogen diatomic anion

h2-

H₂⁺

Hydrogen cation

h2+

Deuterium hydride

H₃⁺

hydrogen trimer cation

h3+

He^-

Helium atom anion

he-

He⁺

Helium atom cation

he+

HeH

Helium hydride

heh

HeH⁺

Helium hydride cation

heh+

He₂⁺

helium diatomic cation

he2+

Li^-

Lithium atom anion

li-

Li⁺

Lithium atom cation

li+

Na^-

Sodium atom anion

na-

Na⁺

Sodium atom cation

na+

Potassium atom

K^-

Potassium atom anion

K⁺

Potassium atom cation

Copper atom

Cu^-

Copper atom anion

cu-

Cu⁺

Copper atom cation

cu+

LiH

Lithium Hydride

lih

LiH^-

lithium hydride anion

lih-

LiH⁺

lithium hydride cation

lih+

NaH

sodium hydride

nah

NaH^-

sodium hydride anion

nah-

NaH⁺

sodium hydride cation

nah+

KH⁺

Potassium hydrogen cation

kh+

CuH

Copper monohydride

cuh

Be^-

Beryllium atom anion

be-

Be⁺

Beryllium atom cation

be+

Mg^-

Magnesium atom anion

mg-

Mg⁺

Magnesium atom cation

mg+

Calcium atom

Ca^-

Calcium atom anion

ca-

Ca⁺

Calcium atom cation

ca+

Zinc atom

Zn^-

Zinc atom anion

zn-

Zn⁺

Zinc atom cation

zn+

BeH

beryllium monohydride

beh

BeH^-

berylium monohydride anion

beh-

BeH⁺

beryllium monohydride cation

beh+

MgH^-

magnesium monohydride anion

mgh-

MgH⁺

magnesium monohydride cation

mgh+

CaH

Calcium monohydride

cah

CaH⁺

Calcium monohydride cation

cah+

TiH

Titanium monohydride

tih

ZnH

Zinc monohydride

znh

ZnH⁺

Zinc, protonated

znh+

BeH₂

beryllium dihydride

beh2

BeH₂⁺

Beryllium dihydride cation

beh2+

CaH₂

Calcium Hydride

cah2

ZnH₂

Zinc hydride

znh2

B^-

Boron atom anion

Al⁺

Aluminum atom cation

al+

Sc⁺

Scandium cation

sc+

Gallium atom

Ga^-

Gallium atom anion

ga-

Ga⁺

Gallium atom cation

ga+

BH^-

boron monohydride anion

bh-

BH⁺

boron monohydride cation

bh+

AlH

aluminum monohydride

alh

AlH^-

aluminum monohydride anion

alh-

AlH⁺

aluminum monohydride cation

alh+

ScH⁺

Scandium monohydride cation

sch+

GaH

Gallium monohydride

gah

BH₂

boron dihydride

bh2

BH₂^-

boron dihydride anion

bh2-

BH₂⁺

Boron dihydride cation

bh2+

AlH₂

aluminum dihydride

alh2

AlH₂^-

aluminum dihydride anion

alh2-

AlH₂⁺

aluminum dihydride cation

alh2+

BH₃

boron trihydride

bh3

BH₃^-

boron trihydride anion

bh3-

AlH₃⁺

aluminum trihydride cation

alh3+

GaH₃

Gallium trihydride

gah3

AlH₄^-

Aluminum tetrahydride anion

alh4-

C^-

Carbon atom anion

C⁺

Carbon atom cation

Si⁺

Silicon atom cation

si+

Titanium atom

Ti^-

Titanium atom anion

ti-

Ti⁺

Titanium atom cation

ti+

Germanium atom

Ge^-

Germanium anion

ge-

Ge⁺

Germanium cation

ge+

Tin atom

Sn⁺

Tin cation

sn+

Methylidyne

CH^-

methylidyne anion

ch-

CH⁺

Methylidyne cation

ch+

SiH^-

silicon monohydride anion

sih-

SiH₂

silicon dihydride

sih2

SiH₂^-

silicon dihydride anion

sih2-

100

SiH₂⁺

silicon dihydride cation

sih2+

101

GeH₂^-

germylene anion

geh2-

102

SiH₃^-

Silyl anion

sih3-

103

GeH₃

Germyl radical

geh3

104

GeH₃⁺

germyl cation

geh3+

105

CD₄

methane-d4

cd4

106

CH₂D₂

methane-d2

ch2d2

107

CH₃D

methane-d

ch3d

108

CH₄⁺

Methane cation

ch4+

109

CHD₃

methane-d3

chd3

110

SiH₄⁺

Silane cation

sih4+

111

SnH₄

Stannane

snh4

112

N^-

Nitrogen atom anion

113

P^-

Phosphorus atom anion

114

P⁺

Phosphorus atom cation

115

Antimony atom

116

Imidogen

117

NH^-

Imidogen anion

nh-

118

NH⁺

imidogen cation

nh+

119

PH^-

phosphorus monohydride anion

ph-

120

PH⁺

phosphorus monohydride cation

ph+

121

AsH

Arsenic monohydride

ash

122

AsH⁺

Arsenic monohydride cation

ash+

123

SbH

Antimony monohydride

sbh

124

ND₂

Amidogen-d2

nd2

125

NH₂^-

amino anion

nh2-

126

PH₂

Phosphino radical

ph2

127

PH₂^-

Phosphino anion

ph2-

128

PH₂⁺

Phosphino cation

ph2+

129

AsH₂

Arsenic dihydride

ash2

130

AsH₂⁺

Arsenic dihydride cation

ash2+

131

ND₃

Ammonia-d3

nd3

132

AsH₃

Arsine

ash3

133

AsH₃⁺

Arsine cation

ash3+

134

SbH₃

Stibine

sbh3

135

AsH₄⁺

Arsonium

ash4+

136

NH₄

Ammonium radical

nh4

137

O^-

Oxygen atom anion

138

Chromium atom

139

Selenium atom

140

Se^-

Selenium atom anion

se-

141

Se⁺

Selenium atom cation

se+

142

Tellurium atom

143

Te⁺

Tellurium atom cation

te+

144

Hydroxyl-d

145

Mercapto-d

146

CrH

Chromium hydride

crh

147

HSe

Selenium monohydride

hse

148

HSe^-

selenium monohydride anion

hse-

149

TeH

Telluryl radical

teh

150

D₂O

Deuterium oxide

d2o

151

D₂S

Hydrogen sulfide-d2

d2s

152

H₂S^-

Hydrogen sulfide anion

h2s-

153

H₂Se⁺

Hydrogen selenide cation

h2se+

154

H₂Te

Hydrogen Telluride

h2te

155

Manganese atom

156

Bromine atom

157

Br^-

Bromine atom anion

br-

158

Br⁺

Bromine atom cation

br+

159

Iodine atom

iodine

160

I^-

Iodine atom anion

iodine-

161

I⁺

Iodine atom cation

iodine+

162

Hydrofluoric acid-d

163

HF^-

hydrogen fluoride anion

hf-

164

HF⁺

hydrogen fluoride cation

hf+

165

DCl

Hydrochloric acid-d

dcl

166

HCl^-

hydrogen chloride anion

hcl-

167

HBr^-

hydrogen bromide anion

hbr-

168

HBr⁺

hydrogen bromide cation

hbr+

169

Hydrogen iodide

170

HI⁺

Hydrogen iodide cation

hi+

171

H₂F⁺

dihydrogen fluoride cation

h2f+

172

H₂I⁺

Iodonium

h2i+

173

Ne^-

Neon atom anion

ne-

174

Ar^-

Argon atom anion

ar-

175

Ar⁺

Argon atom cation

ar+

176

Iron atom

177

Xenon atom

178

HeLi⁺

Helium Lithium cation

heli+

179

NeH⁺

neon hydrogen cation

neh+

180

XeH⁺

Xenon, protonated

xeh+

181

H₂Ar

H2 Ar dimer

h2ar

182

Cobalt atom

cobalt

183

Nickel atom

184

Li₂

Lithium diatomic

li2

185

Li₂^-

lithium diatomic anion

li2-

186

Li₂⁺

lithium diatomic cation

li2+

187

NaLi

lithium sodium

lina

188

NaLi^-

lithium sodium anion

lina-

189

NaLi⁺

lithium sodium cation

lina+

190

LiK

Lithium Potassium

lik

191

NaK

Sodium Potassium

nak

192

K₂

Potassium diatomic

193

Cu₂

Copper diatomic

cu2

194

LiBe

Lithium Beryllium

libe

195

LiMg

Lithium magnesium

limg

196

NaBe

Sodium Beryllium

nabe

197

NaMg

Sodium Magnesium

namg

198

Be₂^-

Beryllium diatomic anion

be2-

199

Be₂⁺

Beryllium diatomic cation

be2+

200

Mg₂

Magnesium diatomic

mg2

201

Mg₂^-

magnesium diatomic anion

mg2-

202

Mg₂⁺

magnesium diatomic cation

mg2+

203

Ca₂

Calcium diatomic

ca2

204

LiB

Lithium boride

lib

205

LiAl

Lithium Aluminum

lial

206

B₂

Boron diatomic

207

B₂^-

Boron diatomic anion

b2-

208

Al₂

Aluminum diatomic

al2

209

Al₂^-

aluminum diatomic anion

al2-

210

Al₂⁺

aluminum diatomic cation

al2+

211

LiBH₄

Lithium borohydride

libh4

212

Al₂H₆

dialane

al2h6

213

LiC

Lithium Carbide

lic

214

boron monocarbide

215

BC^-

boron monocarbide anion

bc-

216

BC⁺

boron monocarbide cation

bc+

217

C₂^-

carbon diatomic anion

c2-

218

SiC

silicon monocarbide

sic

219

SiC^-

silicon monocarbide anion

sic-

220

SiC⁺

silicon monocarbide cation

sic+

221

Si₂

Silicon diatomic

si2

222

Si₂^-

silcon diatomic anion

si2-

223

Si₂⁺

silcon diatomic cation

si2+

224

GeC

Germanium monocarbide

gec

225

Ge₂

Germanium diatomic

ge2

226

C₂H⁺

Ethynyl cation

c2h+

227

ZnCH₂

Zinc methylene

znch2

228

CCH₂

vinylidene

229

HCCH^-

acetylene anion

c2h2-

230

Si₂H₂

disilyne

si2h2

231

CuCH₃

monomethyl copper

cuch3

232

ZnCH₃

Zinc monomethyl

znch3

233

C₂H₃⁺

vinyl cation

c2h3+

234

CH₃CH

methylmethylene

ch3ch

235

CH₂SiH₂

silaethylene

ch2sih2

236

Si₂H₄

Disilene

si2h4

237

C₂H₅^-

Ethyl anion

c2h5-

238

C₂H₅⁺

Ethyl cation

c2h5+

239

C₂H₆⁺

ethane cation

c2h6+

240

CH₃SiH₃

methyl silane

ch3sih3

241

GeH₃CH₃

methyl germane

geh3ch3

242

C₂H₇⁺

Ethane, protonated

c2h7+

243

LiN

Lithium Nitride

lin

244

LiN⁺

Lithium Nitride cation

lin+

245

BeN

Beryllium mononitride

ben

246

BeN^-

Beryllium mononitride anion

ben-

247

BN^-

boron nitride anion

bn-

248

AlN^-

aluminum mononitride anion

aln-

249

AlN⁺

aluminum mononitride cation

aln+

250

BN⁺

boron nitride cation

bn+

251

AlN

Aluminum nitride

aln

252

CN⁺

Cyano cation

cn+

253

Carbon monophosphide

254

CP^-

carbon monophosphide anion

cp-

255

CP⁺

carbon monophosphide cation

cp+

256

SiN

Silicon nitride

sin

257

SiN^-

silicon mononitride anion

sin-

258

SiN⁺

silicon mononitride cation

sin+

259

SiP^-

Silicon monophosphide anion

sip-

260

SiP⁺

Silicon monophosphide cation

sip+

261

TiN

Titanium mononitride

tin

262

N₂⁺

diatomic nitrogen cation

n2+

263

Phosphorus mononitride

264

PN^-

phosphorus nitride anion

pn-

265

PN⁺

phosphorus nitride cation

pn+

266

P₂

Phosphorus diatomic

267

P₂^-

phosphorus diatomic anion

p2-

268

P₂⁺

phosphorus diatomic cation

p2+

269

AsN

Arsenic mononitride

asn

270

AsP

Arsenic monophosphide

asp

271

SbN

Antimony nitride

sbn

272

As₂

Arsenic diatomic

as2

273

HNB

hydrogen nitrogen boron

hnb

274

HNC

hydrogen isocyanide

hnc

275

HCN^-

Hydrogen cyanide anion

hcn-

276

HCP

Phosphaethyne

hcp

277

HCP⁺

Phosphaethyne cation

hcp+

278

NNH

Dinitrogen monohydride

nnh

279

HPO

Hydrogen phosphorus oxide

hpo

280

HPO⁺

Hydrogen phosphorus oxide cation

hpo+

281

LiNH₂

lithium amide

linh2

282

HBNH

Boranimine

hbnh

283

CNH₂

Aminomethylidyne radical

cnh2

284

CNH₂⁺

N-protonated hydrogen isocyanide

cnh2+

285

H₂CN

Dihydrogen cyanide radical

h2cn

286

H₂CN⁺

hydrocyanonium cation

h2cn+

287

HCNH

methyleneazane

hcnh

288

HCNH⁺

N-protonated HCN

hcnh+

289

H₂NN

Isodiazene

h2nn

290

CH₂NH

Methanimine

ch3n

291

CHNH₂

aminomethylene

chnh2

292

CHNH₂⁺

Aminocarbene cation

chnh2+

293

CH₂PH

Phosphaethene

ch3p

294

BH₂NH₂

Boranamine

bh2nh2

295

N₂H₄

Hydrazine

n2h4

296

P₂H₄

Diphosphine

p2h4

297

CH₃PH₂

Methyl phosphine

ch3ph2

298

SiH₃NH₂

Silane, amino

sih3nh2

299

N₂H₅⁺

protonated hydrazine

n2h5+

300

BH₃NH₃

borane ammonia

bh3nh3

301

CH₃NH₃

methyl ammonium radical

ch3nh3

302

CH₃NH₃⁺

protonated methylamine

ch3nh3+

303

CH₃PH₃⁺

methyl phosphine, protonated

ch3ph3+

304

LiO^-

lithium oxide anion

lio-

305

LiO⁺

lithium oxide cation

lio+

306

NaO^-

sodium oxide anion

nao-

307

NaO⁺

sodium oxide cation

nao+

308

CuO

Copper Monoxide

cuo

309

LiSe

Lithium monoselenide

lise

310

BeO

beryllium oxide

beo

311

BeO^-

Beryllium monoxide anion

beo-

312

BeO⁺

Beryllium monoxide cation

beo+

313

BeS

beryllium sulfide

bes

314

MgO

magnesium oxide

mgo

315

MgO^-

magnesium oxide anion

mgo-

316

MgO⁺

magnesium oxide cation

mgo+

317

CaO

Calcium monoxide

cao

318

MgS

magnesium sulfide

mgs

319

MgS^-

magnesium sulfide anion

mgs-

320

MgS⁺

magnesium sulfide cation

mgs+

321

ZnO

zinc monoxide

zno

322

ZnS

Zinc sulfide

zns

323

BeS^-

Beryllium monosulfide anion

bes-

324

BeS⁺

Beryllium monosulfide cation

bes+

325

BO^-

boron monoxide anion

bo-

326

AlO

Aluminum monoxide

alo

327

AlO^-

Aluminum monoxide anion

alo-

328

AlO⁺

aluminum monoxide cation

alo+

329

boron sulfide

330

BS^-

boron monosulfide anion

bs-

331

BS⁺

boron monosulfide cation

bs+

332

AlS

Aluminum sulfide

als

333

AlS^-

aluminum monosulfide anion

als-

334

AlS⁺

aluminum monosulfide cation

als+

335

GaO

Gallium monoxide

gao

336

GaS

Gallium monosulfide

gas

337

BO⁺

boron monoxide cation

bo+

338

carbon monosulfide

339

CS^-

carbon monosulfide anion

cs-

340

CS⁺

carbon monosulfide cation

cs+

341

SiO

Silicon monoxide

sio

342

SiO^-

silicon monoxide anion

sio-

343

SiO⁺

silicon monoxide cation

sio+

344

SiS

silicon monosulfide

sis

345

SiS^-

silicon monosulfide anion

sis-

346

SiS⁺

silicon monosulfide cation

sis+

347

CSe

Carbon monoselenide

cse

348

CSe^-

Carbon monoselenide anion

cse-

349

CSe⁺

Carbon monoselenide cation

cse+

350

GeO

Germanium monoxide

geo

351

GeSe

Germanium monoselenide

gese

352

NS^-

nitrogen sulfide anion

ns-

353

NS⁺

nitrogen sulfide cation

ns+

354

PO^-

phosphorus monoxide anion

po-

355

PO⁺

phosphorus monoxide cation

po+

356

PS^-

phosphorus monosulfide anion

ps-

357

PS⁺

phosphorus monosulfide cation

ps+

358

AsO

Arsenic monoxide

aso

359

O₂^--

dioxygen dianion

o2--

360

O₂⁺

diatomic oxygen cation

o2+

361

Sulfur monoxide

362

SO^-

sulfur monoxide anion

so-

363

S₂^-

sulfur diatomic anion

s2-

364

S₂⁺

sulfur diatomic cation

s2+

365

SeO

Selenium monoxide

seo

366

SeO^-

selenium monoxide anion

seo-

367

SeO⁺

selenium monoxide cation

seo+

368

SeS

Selenium monosulfide

ses

369

SeS^-

selenium monosulfide anion

ses-

370

SeS⁺

selenium monosulfide cation

ses+

371

TeO

Tellurium monoxide

teo

372

Se₂

Selenium diatomic

se2

373

Se₂^-

selenium diatomic anion

se2-

374

Se₂⁺

selenium diatomic cation

se2+

375

Te₂

Tellurium diatomic

te2

376

NaOH

sodium hydroxide

naoh

377

KOH

Potassium hydroxide

koh

378

MgOH

magnesium hydroxide

mgoh

379

CaOH

Calcium monohydroxide

caoh

380

HBS

hydrogen boron sulfide

hbs

381

HCO

Formyl radical

hco

382

HCO⁺

Formyl cation

hco+

383

HCS

Thioformyl radical

hcs

384

HCS^-

Thioformyl anion

hcs-

385

HCS⁺

Thioformyl cation

hcs+

386

HNO

Nitrosyl hydride

hno

387

HNO^-

Nitrosyl hydride anion

hno-

388

HNS

Sulfur imide

hns

389

HNS^-

Sulfur imide anion

hns-

390

HO₂^-

Hydroperoxy anion

ho2-

391

SOH

Sulfur Hydroxide

soh

392

HS₂

Thiosulfeno radical

hs2

393

HOCH

hydroxycarbene

hoch

394

H₂CS^-

thioformaldehyde anion

h2cs-

395

H₂CS⁺

thioformaldehyde cation

h2cs+

396

H₂CSe

Selenoformaldehyde

h2cse

397

H₂O₂⁺

Hydrogen peroxide cation

h2o2+

398

H₂OO

water oxide

h2oo

399

HOSH

hydrogen thioperoxide

hosh

400

H₂Se₂

hydrogen diselenide

h2se2

401

CH₂OH⁺

hydroxymethyl cation

ch2oh+

402

CH₃O

Methoxy radical

ch3o

403

CH₃O^-

methoxy anion

ch3o-

404

CH₃S

thiomethoxy

ch3s

405

H₂CSH⁺

Thioformaldehyde, protonated

h2csh+

406

NH₃O

Ammonia Oxide

nh3o

407

H₂POH

Phosphinous acid

h2poh

408

H₃PO

Phosphine oxide

h3po

409

NH₂SH

Thiohydroxylamine

nh2sh

410

NH₃S

sulfidoazane

nh3s

411

H₃O₂⁺

hydrogen peroxide, protonated

h3o2+

412

CH₃OH

Methyl alcohol

ch3oh

413

CH₃OH⁺

Methyl alcohol cation

ch3oh+

414

SiH₃OH

silanol

sih3oh

415

CH₃SeH

Methane selenol

ch3seh

416

NH₂OH₂⁺

protonated hydroxylamine

nh2oh2+

417

NH₃OH⁺

N-protonated hydroxylamine

nh3oh+

418

CH₃OH₂⁺

Methanol, protonated

ch3oh2+

419

CH₃SH₂⁺

protonated methylsulfide

ch3sh2+

420

H₂ONH₃

Water Ammonia Dimer

h2onh3

421

H₅O₂⁺

Dihydroxonium ion

h5o2+

422

LiF

lithium fluoride

lif

423

LiCl^-

lithium chloride anion

licl-

424

LiCl⁺

lithium chloride cation

licl+

425

NaF^-

sodium fluoride anion

naf-

426

NaF⁺

sodium fluoride cation

naf+

427

Potassium Fluoride

428

NaCl^-

sodium chloride anion

nacl-

429

NaCl⁺

sodium chloride cation

nacl+

430

KCl

Potassium Chloride

kcl

431

CuF

Copper monofluoride

cuf

432

LiBr

Lithium Bromide

libr

433

LiBr^-

lithium bromide anion

libr-

434

LiBr⁺

lithium bromide cation

libr+

435

CuCl

Copper monochloride

cucl

436

NaBr

Sodium Bromide

nabr

437

NaBr^-

sodium bromide anion

nabr-

438

NaBr⁺

sodium bromide cation

nabr+

439

KBr

Potassium Bromide

kbr

440

LiI

Lithium Iodide

lii

441

NaI

Sodium Iodide

nai

442

Potassium Iodide

443

LiF^-

lithium fluoride anion

lif-

444

LiF⁺

lithium fluoride cation

lif+

445

BeF

Beryllium monofluoride

bef

446

BeF^-

Beryllium monofluoride anion

bef-

447

BeF⁺

Beryllium monofluoride cation

bef+

448

BeCl

beryllium monochloride

becl

449

MgF

Magnesium monofluoride

mgf

450

MgF^-

magnesium fluoride anion

mgf-

451

CaF

Calcium monofluoride

caf

452

MgCl

magnesium monochloride

mgcl

453

MgCl^-

magnesium monochloride anion

mgcl-

454

MgCl⁺

magnesium monochloride cation

mgcl+

455

CaCl

calcium monochloride

cacl

456

TiCl

Titanium Monochloride

ticl

457

ZnF^-

Zinc monofluoride anion

znf-

458

ZnF⁺

Zinc monofluoride cation

znf+

459

ZnCl

Zinc monochloride

zncl

460

CaBr

Calcium monobromide

cabr

461

BeCl^-

beryllium monochloride anion

becl-

462

BeCl⁺

beryllium monochloride cation

becl+

463

BF^-

Boron monofluoride anion

bf-

464

BF⁺

Boron monofluoride cation

bf+

465

AlF

Aluminum monofluoride

alf

466

AlF^-

Aluminum monofluoride anion

alf-

467

AlF⁺

Aluminum monofluoride cation

alf+

468

BCl

boron monochloride

bcl

469

BCl^-

boron monochloride anion

bcl-

470

BCl⁺

boron monochloride cation

bcl+

471

AlCl

Aluminum monochloride

alcl

472

AlCl^-

aluminum monochloride anion

alcl-

473

AlCl⁺

aluminum monochloride cation

alcl+

474

BBr

Boron monobromide

bbr

475

GaF

Gallium monofluoride

gaf

476

AlBr

Aluminum monobromide

albr

477

GaCl

Gallium monochloride

gacl

478

AlI

Aluminum monoiodide

ali

479

GaBr

Gallium monobromide

gabr

480

CF^-

carbon monofluoride anion

cf-

481

CF⁺

carbon monofluoride cation

cf+

482

CCl

carbon monochloride

ccl

483

CCl^-

carbon monochloride anion

ccl-

484

CCl⁺

carbon monochloride cation

ccl+

485

SiF^-

silicon monofluoride anion

sif-

486

SiCl

Clorosilylidyne

sicl

487

SiCl^-

silicon monochloride anion

sicl-

488

SiCl⁺

silicon monochloride cation

sicl+

489

GeF

Germanium monofluoride

gef

490

GeF⁺

Germanium monofluoride cation

gef+

491

GeCl

Germanium monochloride

gecl

492

GeCl⁺

Germanium monochloride cation

gecl+

493

SiBr⁺

Silicon monobromide cation

sibr+

494

nitrogen fluoride

495

NF^-

nitrogen monofluorine anion

nf-

496

NF⁺

nitrogen monofluoirde cation

nf+

497

NCl^-

nitrogen monochloride anion

ncl-

498

NCl⁺

nitrogen monochloride cation

ncl+

499

phosphorus monofluoride

500

PF^-

phosphorus monofluoride anion

pf-

501

PF⁺

phosphorus monofluoride cation

pf+

502

PCl

phosphorus chloride

pcl

503

PCl^-

phosphorus monochloride anion

pcl-

504

PCl⁺

phosphorus monochloride cation

pcl+

505

NBr

nitrogen monobromide

nbr

506

PBr

Phosphorus monobromide

pbr

507

SbF

Antimony monofluoride

sbf

508

SbCl

Antimony monochloride

sbcl

509

FO^-

flourine oxide anion

fo-

510

FO⁺

fluorine monoxide cation

fo+

511

ClO

Monochlorine monoxide

clo

512

ClO^-

chlorine monoxide anion

clo-

513

ClO⁺

chlorine monoxide cation

clo+

514

SF^-

sulfur monofluoride anion

sf-

515

SF⁺

sulfur monofluoride cation

sf+

516

SCl

sulfur monochloride

scl

517

SCl^-

sulfur monochloride anion

scl-

518

SCl⁺

sulfur monochloride cation

scl+

519

BrO

Bromine monoxide

bro

520

BrO^-

Bromine monoxide anion

bro-

521

BrO⁺

Bromine monoxide cation

bro+

522

SBr

Sulfur monobromide radical

sbr

523

SBr⁺

Sulfur monobromide cation

sbr+

524

Iodine monoxide

525

SeBr

Selenium monobromide

sebr

526

BrCl

Bromine monochloride

brcl

527

ClF^-

clorine monofluoride anion

clf-

528

ClF⁺

clorine monofluoride cation

clf+

529

Cl₂^-

chlorine diatomic anion

cl2-

530

BrF

Bromine monofluoride

brf

531

BrF^-

bromine fluoride anion

brf-

532

BrF⁺

bromine fluoride cation

brf+

533

BrCl^-

bromine chloride anion

brcl-

534

BrCl⁺

bromine chloride cation

brcl+

535

Iodine monofluoride

536

Br₂

Bromine diatomic

br2

537

Br₂^-

bromine diatomic anion

br2-

538

Br₂⁺

bromine diatomic cation

br2+

539

ICl

Iodine monochloride

icl

540

IBr

Iodine monobromide

ibr

541

I₂

Iodine diatomic

542

I₂⁺

Iodine diatomic cation

i2+

543

HCCl

Chloromethylene

hccl

544

HSiF

fluorosilylene

hsif

545

HSiCl

Chlorosilylene

hsicl

546

HSiBr

monobromosilylene

hsibr

547

CHBr

bromomethylene

chbr

548

HOF

Hypofluorous acid

hfo

549

DOCl

Hypochlorous acid-d

docl

550

HOCl

hypochlorous acid

hocl

551

HOBr

Hypobromous acid

hobr

552

HOBr⁺

Hypobromous acid cation

hobr+

553

HOI

Hypoiodous acid

hoi

554

F₂H⁺

Fluorine, protonated

f2h+

555

FHF

Hydrogen difluoride

fhf

556

FHF^-

Hydrogen difluoride anion

fhf-

557

Cl₂H⁺

Chlorine, protonated

cl2h+

558

CH₂Br

bromomethyl radical

ch2br

559

CH₂F⁺

fluoromethyl cation

ch2f+

560

CH₂Cl⁺

chloromethyl cation

ch2cl+

561

CH₂Cl

chloromethyl radical

ch2cl

562

NH₂F

monofluoroamine

nh2f

563

NH₂Cl

chloramine

nh2cl

564

H₂F₂

Hydrogen fluoride dimer

h2f2

565

CH₃F⁺

methyl fluoride cation

ch3f+

566

CD₃F

methylfluoride-d3

cd3f

567

CD₃Cl

methyl chloride d3

cd3cl

568

CH₃Cl⁺

Methyl chloride cation

ch3cl+

569

SiH₃F

monofluorosilane

sih3f

570

SiH₃Cl

chlorosilane

sih3cl

571

CH₃Br

methyl bromide

ch3br

572

GeH₃F

monofluorogermane

geh3f

573

GeH₃Cl

monochlorogermane

geh3cl

574

SiH₃Br

bromosilane

sih3br

575

CH₃I

methyl iodide

ch3i

576

SiH₃I

Silyl Iodide

sih3i

577

NH₃Cl⁺

protonated monochloroammonia

nh3cl+

578

CH₃ClH⁺

methyl chloride, protonated

ch3clh+

579

Ne₂

Neon diatomic

ne2

580

Li₃

Lithium trimer

li3

581

C₃⁺

carbon trimer cation

c3+

582

SiC₂

Silicon dicarbide

sic2

583

C₃H₃

Propargyl radical

propargyl

584

C₃H₃^-

Propargyl anion

c3h3-

585

C₃H₃⁺

cyclopropenyl cation

cpr+

586

C₃H₃⁺

Propargyl cation

c3h3+

587

C₃H₄

cyclopropene

cprop

588

CH₂CCH₂

allene

589

CH₃CCH

propyne

590

C₃H₅⁺

Allyl cation

allyl+

591

CH₃CHCH

1-propenyl radical

ch3chch

592

Zn(CH₃)₂

dimethyl zinc

dmz

593

C₃H₇

n-Propyl radical

npropyl

594

C₃H₇⁺

cyclopropane, protonated

c3h7+

595

CH₃CHCH₃

Isopropyl radical

isopropyl

596

CH₃CHCH₃⁺

Isopropyl cation

prop2yl+

597

C₃H₈

Propane

propane

598

SiH₂(CH₃)₂

dimethylsilane

dms

599

Si₃H₈

trisilane

si3h8

600

CuCN

Copper cyanide

cucn

601

ZnCN

Zinc monocyanide

zncn

602

ZnNC

Zinc isocyanide

znnc

603

AlCN

Aluminum monocyanide

alcn

604

AlNC

Aluminum isocyanide

alnc

605

CN₂

3H-Diazirin-3-ylidene

cn2

606

CNN

Diazocarbene

cnn

607

NCN

Cyanoimidogen

ncn

608

N₃^-

azide anion

n3-

609

HCNN

diazomethyl radical

hcnn

610

HN₃

hydrogen azide

hn3

611

HN₃⁺

Hydrazoic acid cation

hn3+

612

HNCNH

diiminomethane

hncnh

613

CH₂N₂

diazirine

ch2n2

614

CH₂NN

diazomethane

ch2nn

615

HNNNH⁺

1,2-Triazadienium

n2h3+

616

NH₂NN⁺

hydrazoic acid, protonated

nh2nn+

617

CH₃CN

Acetonitrile

ch3cn

618

CH₃CN^-

acetonitrile anion

ch3cn-

619

CH₃CN⁺

Acetonitrile cation

ch3cn+

620

CH₃NC

methyl isocyanide

ch3nc

621

CHNCH₂

2H-Azirine

c157164

622

CHNHCH

1H-Azirine

chnhch

623

H₂CCNH

Ethenimine

ch2cnh

624

H₂CNCH

methyleneaminomethylene

ch2nch

625

HCCNH₂

Ethynamine

hccnh2

626

HCNCH₂⁺

2H-Azirine cation

hcnch2+

627

HNCNH₂⁺

diiminomethane, protonated

hncnh2+

628

NCNH₃⁺

Cyanamide, protonated

ncnh3+

629

NH₂CNH⁺

cyanamide, cn protonated

nh2cnh+

630

NH₃CN⁺

cyanamide, amine protonated

nh3cn+

631

CH₃CHN

methylmethaniminyl radical

ch3chn

632

NHCHNH₂

aminomethanimine

cn2h4

633

C₂H₅N

Aziridine

c2h5n

634

CH₂CHNH₂

aminoethene

635

CH₂NCH₃

N-methylmethanimine

nmm

636

CH₃CHNH

ethanimine

637

NH₂BHNH₂

diaminoborane

nh2bhnh2

638

C₂H₅NH⁺

Protonated Aziridine

c2h5nh+

639

C₂H₆N⁺

aziridine, protonated

c2h6n+

640

NH₂CH₂NH₂

diaminomethane

nh2ch2nh2

641

CH₃CH₂NH₂

Ethylamine

etam

642

CH₃NHCH₃

Dimethylamine

ch3nhch3

643

CH₃PHCH₃

dimethylphosphine

ch3phch3

644

NH₂CH₂NH₃⁺

diaminoethane, protonated

pdam

645

(CH₃)₂NH₂⁺

dimethylammonium cation

dmam

646

CH₃CH₂NH₃⁺

ethylamine, protonated

pea

647

Li₂O⁺

dilithium oxide cation

li2o+

648

Na₂S

Sodium sulfide

na2s

649

LiO₂

Lithium dioxide

lio2

650

NaO₂

Sodium superoxide

nao2

651

CNO^-

fulminate

cno-

652

NCO^-

cyanate

nco-

653

SCN

thiocyanato radical

scn

654

SCN^-

thiocyanide anion

scn-

655

BO₂

Boron dioxide

bo2

656

BO₂^-

Boron dioxide anion

bo2-

657

BO₂⁺

Boron dioxide cation

bo2+

658

N₂O⁺

Nitrous oxide cation

n2o+

659

NNS

Nitrogen sulfide

nns

660

PPO

Phosphorus oxide phosphide

ppo

661

CO₂^-

Carbon dioxide anion

co2-

662

CO₂⁺

Carbon dioxide cation

co2+

663

OCS⁺

Carbonyl sulfide cation

cos+

664

SiO₂

silicon dioxide

sio2

665

CS₂

Carbon disulfide

cs2

666

CS₂^-

Carbon disulfide anion

cs2-

667

CS₂⁺

Carbon disulfide cation

cs2+

668

GeO₂

Germanium dioxide

geo2

669

OCSe

Carbonyl selenide

ocse

670

SCSe

Carbon sulfide selenide

scse

671

GeS₂

Germanium disulfide

ges2

672

CSe₂

Carbon diselenide

cse2

673

SCTe

Carbon sulfide Telluride

scte

674

NO₂^-

Nitrogen dioxide anion

no2-

675

NSO

sulfinyl amidogen

NSO

676

PO₂

Phosphorus dioxide

po2

677

PO₂^-

Phosphorus dioxide anion

po2-

678

PO₂⁺

Phosphorus dioxide cation

po2+

679

SNO

Nitrogen oxide sulfide

sno

680

AsO₂

Aresenic dioxide

aso2

681

O₃^-

Ozone anion

o3-

682

O₃⁺

Ozone cation

o3+

683

SO₂^-

Sulfur dioxide anion

so2-

684

SO₂⁺

Sulfur dioxide cation

so2+

685

SSO

Disulfur monoxide

sso

686

S₃^-

Sulfur trimer anion

s3-

687

SeO₂

Selenium dioxide

seo2

688

SeO₂⁺

Selenium dioxide cation

seo2+

689

TeO₂

Tellurium Dioxide

teo2

690

HCCO

ketenyl radical

ketenyl

691

CS₂H⁺

Carbon disulfide, protonated

cs2h+

692

HNCO

Isocyanic acid

hnco

693

HOCN

cyanic acid

hocn

694

HSCN

thiocyanic acid

hscn

695

HCO₂^-

formate anion

hco2-

696

HNNO

nitrosoazane

hnno

697

HCOO

formate neutral radical

hcoo

698

HOCO

Hydrocarboxyl radical

hoco

699

HOCO⁺

Hydrocarboxyl cation

hoco+

700

HNO₂

Nitrous acid

hno2

701

HNO₂⁺

nitrous acid cation

hno2+

702

SO₂H⁺

protonated sulfur dioxide

so2h+

703

C₂H₂O

Oxirene

oxirene

704

CH₂CO

Ketene

ch2co

705

CH₂CO⁺

Ketene cation

ch2co+

706

HCCOH

ethynol

hccoh

707

CH₂CS

Thioketene

ch2cs

708

Mg(OH)₂

Magnesium dihydroxide

h2mgo2

709

NH₂NO

Nitrosamide

nh2no

710

CH₂O₂

Dioxirane

diox

711

H₂COO⁺

dioxymethyl cation

h2coo+

712

H₂O₃

Hydrogen trioxide

h2o3

713

HSSSH

trisulfane

hsssh

714

NaOCH₃

Sodium methoxide

naoch3

715

CH₂CHO

Vinyloxy radical

ch2cho

716

CH₂COH⁺

ketene, protonated

ch2coh+

717

CH₃CO

Acetyl radical

ch3co

718

CH₃CO^-

Acetyl anion

ch3co-

719

CH₃CO⁺

acetyl cation

ch3co+

720

CH₂NOH

formaldoxime

ch2noh

721

CHONH₂

formamide

722

CNOH₃

1,2-oxaziridine

cnoh3

723

HOCHNH

hydroxymethylimine

hochnh

724

CHSNH₂

thioformamide

chsnh2

725

NHCHSH

Methanimidothioic acid

nhchsh

726

CH₂OOH

CH2OOH radical

ch2ooh

727

CH₃OO

methylperoxy radical

ch3oo

728

CH₃OO^-

methylperoxy anion

ch3oo-

729

CH₃OO⁺

methylperoxy cation

ch3oo+

730

C₂H₄O

Ethylene oxide

c2h4o

731

C₂H₄O⁺

ethylene oxide cation

c2h4o+

732

CH₂CHOH

ethenol

ch2choh

733

CH₃CHO

Acetaldehyde

ch3cho

734

CH₃CHO⁺

acetaldehyde cation

ch3cho+

735

H₂COCH₂⁺

Methyl, (methyleneoxoniumyl)-

h2coch2+

736

C₂H₄S

Thiirane

thiirane

737

CH₂CHSH

Ethenethiol

ch2chsh

738

CH₃CHS

Thioacetaldehyde

ch3chs

739

H₂CONH₂⁺

protonated formamide

h2conh2+

740

NH₂CHOH⁺

Formamide, O-protonated

nh2choh+

741

NH₃CHO⁺

Formamide, N-Protonated

nh3cho+

742

CH₂(OH)₂

methanediol

ch2o2h2

743

CH₃OOH

Methyl peroxide

ch3ooh

744

CH₃SSH

Hydrogen methyl disulfide

ch3ssh

745

HSCH₂SH

Methanedithiol

ch4s2

746

H₂OH₂CO

water formaldehyde dimer

h2oh2co

747

C₂H₄OH⁺

ethylene oxide, protonated

c2h4oh+

748

CH₂CH₂OH

2-hydroxy ethyl radical

ch2ch2oh

749

CH₃CH₂O

Ethoxy radical

ethoxy

750

CH₃CHOH

1-hydroxy-ethyl radical

ch3choh

751

CH₃CHOH⁺

acetaldehyde, protonated

ch3choh+

752

CH₃OCH₂

methoxymethyl radical

ch3och2

753

NH₂CH₂OH

aminomethanol

nh2ch2oh

754

CH₃CH₂OH

Ethanol

etoh

755

CH₃OCH₃

Dimethyl ether

meome

756

CH₃CH₂SH

ethanethiol

etsh

757

CH₃SCH₃

Dimethyl sulfide

mesme

758

CH₃SCH₃⁺

dimethyl sulfide cation

mesme+

759

CH₃SeCH₃

dimethylselenide

dmse

760

CH₃OHH₂O

methanol water dimer

ch3ohh2o

761

H₂OCH₃OH

water methanol dimer

h2och3oh

762

ZnF₂

Zinc difluoride

znf2

763

FCN

Cyanogen fluoride

fcn

764

ClCN

chlorocyanogen

clcn

765

BrCN

Cyanogen bromide

brcn

766

ICN

Cyanogen iodide

icn

767

FBO

Boron monofluoride monoxide

fbo

768

BeF₂

Beryllium fluoride

bef2

769

MgF₂

Magnesium fluoride

mgf2

770

BeCl₂

Beryllium chloride

becl2

771

MgCl₂

Magnesium dichloride

mgcl2

772

CaCl₂

Calcium Chloride

cacl2

773

ZnCl₂

Zinc dichloride

zncl2

774

BeBr₂

Beryllium bromide

bebr2

775

CaBr₂

Calcium dibromide

cabr2

776

CaF₂

Calcium difluoride

caf2

777

FNO

Nitrosyl fluoride

fno

778

ClNO

Nitrosyl chloride

clno

779

FNS

Thionitrosyl fluoride

fns

780

OPCl

Phosphorus oxychloride

opcl

781

BrNO

Nitrosyl bromide

brno

782

INO

Nitrosyl iodide

ino

783

CF₂^-

Difluoromethylene anion

cf2-

784

CF₂⁺

Difluoromethylene cation

cf2+

785

SiF₂

Silicon difluoride

sif2

786

SiF₂⁺

Silicon difluoride cation

sif2+

787

CCl₂

dichloromethylene

ccl2

788

CCl₂^-

dichloromethylene anion

ccl2-

789

CCl₂⁺

dichloromethylene cation

ccl2+

790

SiCl₂

Dichlorosilylene

sicl2

791

GeF₂

Germanium difluoride

gef2

792

GeCl₂

Germanium dichloride

gecl2

793

CBr₂

dibromomethylene

cbr2

794

FOO

Dioxygen monofluoride radical

foo

795

FOO⁺

Fluorine dioxide cation

foo+

796

ClOO

chloroperoxy radical

cloo

797

ClOO⁺

chloroperoxy cation

cloo+

798

OClO

Chlorine dioxide

oclo

799

OClO⁺

Chlorine dioxide cation

oclo+

800

ClSO

Sulfur chloride oxide

clso

801

ClS₂

Sulfur chloride

cls2

802

BrOO

Bromine dioxide

broo

803

OBrO

Bromine dioxide radical

obro

804

NF₂

Difluoroamino radical

nf2

805

NF₂⁺

Difluoroamino cation

nf2+

806

PF₂

Phosphorus difluoride

pf2

807

PF₂⁺

Phosphorus difluoride cation

pf2+

808

FClO

chlorosyl fluoride

fclo

809

F₂O

Difluorine monoxide

f2o

810

ClOF

Chlorine hypofluorite

clof

811

SF₂

sulfur difluoride

sf2

812

SF₂^-

sulfur difluoride anion

sf2-

813

SF₂⁺

sulfur difluoride cation

sf2+

814

Cl₂O

Dichlorine monoxide

cl2o

815

SCl₂

Sulfur dichloride

scl2

816

SeF₂

Selenium difluoride

sef2

817

BrOCl

Bromine hypochlorite

brocl

818

SeCl₂

Selenium Dichloride

secl2

819

SBr₂

Sulfur dibromide

sbr2

820

SeBr₂

Selenium dibromide

sebr2

821

BrOBr

Bromine oxide

brobr

822

Cl₃^-

trichloride anion

cl3-

823

Br₃^-

tribromide anion

br3-

824

I₃^-

triiodide

i3-

825

SFCl

Sulfur chloride fluoride

sfcl

826

HCCF

Fluoroacetylene

hccf

827

HCCF⁺

fluoroacetylene cation

hccf+

828

HCCCl

Chloroacetylene

hcccl

829

HCCBr

bromoacetylene

hccbr

830

HFCO

formyl fluoride

hfco

831

COHCl

Formyl chloride

cohcl

832

COHBr

Formyl bromide

cohbr

833

BHF₂

Difluoroborane

bhf2

834

BHCl₂

Borane, dichloro-

bhcl2

835

CHCl₂

dichloromethyl radical

chcl2

836

CHF₂

difluoromethyl radical

chf2

837

CHF₂⁺

difluoromethyl cation

chf2+

838

CHFCl

Chlorofluoromethyl radical

chfcl

839

CHFCl⁺

Chlorofluoromethyl cation

chfcl+

840

CHCl₂⁺

dichloromethyl cation

chcl2+

841

CHBr₂

dibromomethyl radical

chbr2

842

HOClO

Chlorous acid

hoclo

843

NHF₂

difluoramine

nhf2

844

NHCl₂

dichloroamine

nhcl2

845

CH₂F₂

Methane, difluoro-

ch2f2

846

CH₂FCl

fluorochloromethane

ch2fcl

847

SiH₂F₂

difluorosilane

sih2f2

848

CH₂Cl₂

Methylene chloride

ch2cl2

849

CH₂BrF

Methane, bromofluoro-

ch2fbr

850

CH₂BrCl

Methane, bromochloro-

ch2clbr

851

CH₂FI

fluoroiodomethane

ch2fi

852

CH₂Br₂

dibromomethane

ch2br2

853

CH₂ClI

chloroiodomethane

ch2cli

854

CH₂BrI

bromoiodomethane

ch2bri

855

CH₂I₂

Diiodomethane

ch2i2

856

SiH₂Cl₂

dichlorosilane

sih2cl2

857

CH₃MgBr

Methyl Magnesium Bromide

ch3mgbr

858

CH₂CHF

Ethene, fluoro-

ch2chf

859

CH₂CHF⁺

fluoroethene cation

ch2chf+

860

C₂H₃Cl

Ethene, chloro-

ch2chcl

861

C₂H₃Br

vinyl bromide

c2h3br

862

C₂H₃I

Vinyl iodide

c2h3i

863

CH₂FOH

fluoromethanol

ch2foh

864

CH₃OCl

methyl hypochlorite

ch3ocl

865

CH₂CH₂Cl

2-chloroethyl radical

ch2ch2cl

866

CHClCH₃

1-chloroethyl radical

chclch3

867

C₂H₅F

fluoroethane

c2h5f

868

CH₃CH₂Cl

Ethyl chloride

c2h5cl

869

CH₃SiFH₂

fluoromethylsilane

ch3sifh2

870

C₂H₅Br

Ethyl bromide

etbr

871

C₂H₅I

Ethyl iodide

c2h5i

872

KrF₂

Krypton difluoride

krf2

873

XeF₂

Xenon difluoride

xef2

874

B₄H₁₀

Tetraborane(10)

b4h10

875

C₄

Carbon tetramer

876

C₄⁺

Carbon tetramer cation

c4+

877

C₄H₂

Diacetylene

c4h2

878

C₄H₂⁺

diacetlyene cation

c4h2+

879

C₂H₃CCH

1-Buten-3-yne

c2h3cch

880

C₄H₄

cyclobutadiene

cbd

881

H₂CCCCH₂

Butatriene

h2cccch2

882

C₄H₆

1-Methylcyclopropene

c3100047

883

C₄H₆

Cyclobutene

c822355

884

C₄H₆

Methylenecyclopropane

c6142730

885

CH₂CCHCH₃

1,2-Butadiene

butad12

886

CH₂CHCHCH₂

1,3-Butadiene

c106990

887

CH₃CCCH₃

2-Butyne

c503173

888

CHCCH₂CH₃

1-Butyne

c107006

889

CH₃CHCHCH₂

methylallyl radical

c4h7

890

C₄H₈

methylcyclopropane

mcp

891

CH₂C(CH₃)CH₃

1-Propene, 2-methyl-

isobute

892

CH₂CHCH₂CH₃

1-Butene

bute1

893

CH₃CHCHCH₃

2-Butene, (E)-

bute2e

894

CH₃CHCHCH₃

2-Butene, (Z)-

bute2z

895

B(CH₃)₃

trimethylborane

bme3

896

Al(CH₃)₃

trimethyl aluminum

tma

897

C(CH₃)₃

Tert-butyl radical

tbutyl

898

CH₂CH(CH₃)₂

Isobutyl radical

isobutyl

899

CH₃CHCH₂CH₃

2-Butyl radical

butyl2

900

CH₃CH(CH₃)CH₃

Isobutane

isobutane

901

SiH(CH₃)₃

trimethylsilane

trimsi

902

C₂N₂⁺

Cyanogen cation

c2n2+

903

P₄

Phosphorus tetramer

904

As₄

Arsenic tetramer

as4

905

HCCCN

Cyanoacetylene

hcccn

906

HCCCN⁺

Cyanoacetylene cation

hcccn+

907

H₂CNCN

cyanamide, methylene

ch2ncn

908

HNCCNH

Ethenediimine

hnccnh

909

C₃H₃N

acrylonitrile

ch2chcn

910

C₃H₃N⁺

acrylonitrile cation

ch2chcn+

911

CH₃N₃

methyl azide

ch3n3

912

NH₂CCNH₂

Diaminoacetylene

daa

913

NH₂CH₂CN

Aminoacetonitrile

aan

914

CH₃NHN₂⁺

methyl azide, protonated

ch3nhn2+

915

C₂H₅CN

ethyl cyanide

c2h5cn

916

CH₅N₃

Guanidine

guanidine

917

C₄H₆

Bicyclo[1.1.0]butane

c157335

918

CH₃NNCH₃

(Z)-1,2-Dimethyldiazene

dmdiazz

919

H₂NCHCHNH₂

diaminoethylene

dae

920

CH₆N₃⁺

guanidinium

ch6n3+

921

C₃H₇N

Cyclopropylamine

cpram

922

CH₇N₃

triaminomethane

tam

923

C₃H₇N

Azetidine

azet

924

C₂H₈N₂

Ethylenediamine

ethdiam

925

CH₃NHNHCH₃

dimethyl hydrazine

dmh

926

CH₃CH(NH₂)CH₃

2-Propanamine

pram2

927

N(CH₃)₃

Trimethylamine

trimeam

928

NH₂CH₂CH₂CH₃

1-Propanamine

pram1

929

N(SiH₃)₃

trisilylamine

tsa

930

As(CH₃)₃

trimethyl arsine

tmas

931

(CH₃)₃NH⁺

protonated trimethyl amine

ptma

932

C₃H₇NH₃⁺

n-propylamine, protonated

c3h7nh2

933

Li₂O₂

dilithium dioxide

li2o2

934

Na₂O₂

disodium dioxide

na2o2

935

K₂O₂

dipotassium dioxide

k2o2

936

B₂O₂

Diboron dioxide

b2o2

937

S₂N₂

Disulfur dinitride

s2n2

938

CO₃

Carbon trioxide

co3

939

CO₃^--

carbonate

co3--

940

CS₃^--

Carbonotrithioate

cs3--

941

NO₃

Nitrogen trioxide

no3

942

NO₃^-

nitrate anion

no3-

943

NO₃⁺

nitrogen trioxide cation

no3+

944

SO₃

Sulfur trioxide

so3

945

SO₃^-

Sulfur trioxide anion

so3-

946

SO₃^--

Sulfate dianion

so3--

947

SO₃⁺

Sulfur trioxide cation

so3+

948

SeO₃

selenium trioxide

seo3

949

S₄

Sulfur tetramer

950

TeO₃

Tellurium trioxide

teo3

951

HCO₃^-

bicarbonate anion

hco3-

952

HNO₃

Nitric acid

hno3

953

HSO₃

Hydroxysulfonyl radical

hso3

954

NH₂NO₂

nitramide

nh2no2

955

C₂H₂CO

cyclopropenone

c2h2co

956

C₃H₂O

Propadienal

c3h2o

957

HCCCHO

2-propynal

hcccho

958

C₂H₂O₂

Ethanedial

c2h2o2

959

C₂H₂O₂⁺

Ethanedial cation

c2h2o2+

960

H₂CO₃

Carbonic acid

h2co3

961

H₂CS₃

thiocarbonic acid

h2cs3

962

H₂NO₃⁺

Nitric Acid, Protonated

h2no3+

963

H₂SO₃

Sulfurous acid

h2so3

964

C₂H₃NO

Nitrosoethylene

c2h3no

965

CH₃NCO

methylisocyante

ch3nco

966

HOCH₂CN

cyanomethanol

hoch2cn

967

CH₃COO^-

acetate anion

ch3coo-

968

CH₃NO₂

Methane, nitro-

ch3no2

969

CH₃ONO

Methyl nitrite

ch3ono

970

H₃BO₃

Boric acid

h3bo3

971

H₃AlO₃

Aluminum hydroxide

h3alo3

972

H₃CO₃⁺

carbonic acid, protonated

h3co3+

973

C₃H₄O

2-Propyn-1-ol

c107197

974

C₃H₄O

allenol

c9000071

975

C₃H₄O

Cyclopropanone

cpone

976

C₃H₄O

Methylketene

c6004440

977

CH₂CHCHO

Acrolein

c3h4o

978

NH₂CONH₂⁺

Urea cation

urea+

979

NH₂CSNH₂

Thiourea

thiourea

980

C₂H₄O₂

1,3-dioxetane

c2h4o2

981

CH₃COOH

Acetic acid

ch3cooh

982

CH₃OCHO

methyl formate

ch3ocho

983

CHOCH₂OH

hydroxy acetaldehyde

haa

984

NH₂COOH₂⁺

Carbamic acid, O-protonated

nh2cooh2+

985

NH₃COOH⁺

protonated Carbamic acid

nh3cooh+

986

H₂OHCOOH

Water formic acid dimer 1

h2ohcooh_10

987

H₂OHCOOH

Water formic acid dimer 2

h2ohcooh_11

988

HCOOHH₂O

Formic acid water dimer

hcoohh2o

989

HOCH₂OOH

hydroxy methyl peroxide

hoch2ooh

990

CH₃COCH₂

Acetonyl radical

ch3coch2

991

CH₂C(OH)NH₂

1-amino vinyl alchohol

ava

992

CH₃C(OH)=NH

Ethaninidic acid

eia

993

CH₃CHNOH

Acetaldoxime

acetaldoxime

994

CH₃CONH₂

Acetamide

acetamide

995

HCONHCH₃

N-methylformamide

nmfa

996

CH₃CSNH₂

Ethanethioamide

ch3csnh2

997

CH₅N₂O⁺

urea, N-protonated

ch4n2o+

998

H₂NCOHNH₂⁺

urea, protonated

ureah+

999

C₂H₅OO

ethylperoxy radical

c2h5oo

1000

CH₃NNCH₃

(E)-1,2-Dimethyldiazene

dmdiaze

1001

C₃H₅OH

Cyclopropanol

cproh

1002

C₃H₆O

2-Propen-1-ol

c107186

1003

C₃H₆O

Acetone enol

enol

1004

C₃H₆O

Propylene oxide

prox

1005

CH₃CH₂CHO

Propanal

propanal

1006

CH₃COCH₃

Acetone

acetone

1007

CH₃COCH₃^-

acetone anion

ch3coch3-

1008

C₃H₆S

Thietane

thietane

1009

C₃H₆S

Thiirane, methyl-

methiirane

1010

CH₃CSCH₃

Thioacetone

ch3csch3

1011

C₂H₆O₂

1,2-Ethanediol

ethdiol

1012

CH₃OOCH₃

dimethylperoxide

dmp

1013

CH₃SOCH₃

Dimethyl sulfoxide

dmso

1014

CH₂SHCH₂SH

1,2-Ethanedithiol

ethdisl

1015

CH₃SSCH₃

Disulfide, dimethyl

ch3ssch3

1016

CH₃COHCH₃⁺

acetone, protonated

acetoneh+

1017

HOCH₂CH₂NH₂

monoethanolamine

mea

1018

C₃H₇OH

1-Propanol

proh

1019

CH₃CHOHCH₃

Isopropyl alcohol

isoproh

1020

CH₃OC₂H₅

Ethane, methoxy-

etome

1021

C₃H₇SH

1-Propanethiol

prsh

1022

CH₃CHSHCH₃

2-Propanethiol

isoprsh

1023

CH₃SCH₂CH₃

Ethane, (methylthio)-

etsme

1024

H₂OCH₃OCH₃

water dimethylether dimer

h2och3och3

1025

Li₂F₂

Lithium fluoride dimer

li2f2

1026

Na₂F₂

Sodium Fluoride Dimer

na2f2

1027

Na₂Cl₂

Disodium dichloride

na2cl2

1028

C₂F₂

difluoroacetylene

c2f2

1029

C₂Cl₂

dichloroacetylene

c2cl2

1030

C₂Cl₂⁺

dichloroacetylene cation

c2cl2+

1031

FNO₂

Nitryl fluoride

fno2

1032

FONO

Nitrosyl hypofluorite

fono

1033

ClNO₂

Nitryl chloride

clno2

1034

ClONO

chlorine nitrite

clono

1035

BrONO

Bromine nitrite

brono

1036

N₂F₂

(Z)-Difluorodiazene

n2f2_z

1037

N₂F₂

Dinitrogen difluoride, (E)-

n2f2_e

1038

CF₂O

Carbonic difluoride

f2co

1039

CF₂O⁺

Carbonic difluoride cation

f2co+

1040

COFCl

Carbonic chloride fluoride

cofcl

1041

CCl₂O

Phosgene

cl2co

1042

Cl₂CS

Thiophosgene

cl2cs

1043

COBr₂

Carbonic dibromide

cobr2

1044

BF₃^-

Borane, trifluoro- anion

bf3-

1045

BF₃⁺

boron trifluoride cation

bf3+

1046

BClF₂

Chlorodifluoroborane

bclf2

1047

AlF₂Cl

Aluminum chloride difluoride

alclf2

1048

ScF₃

Scandium trifluoride

ScF3

1049

AlFCl₂

Aluminum dichloride fluoride

alcl2f

1050

BCl₃

Borane, trichloro-

bcl3

1051

BCl₃⁺

Boron Trichloride cation

bcl3+

1052

GaF₃

Gallium trifluoride

gaf3

1053

AlCl₃

Aluminum trichloride

alcl3

1054

GaCl₃

Gallium trichloride

gacl3

1055

BBr₃

Boron tribromide

bbr3

1056

AlBr₃

Aluminum Bromide

albr3

1057

ClO₃

Chlorine trioxide

clo3

1058

ClO₃^-

chlorate anion

clo3-

1059

BrO₃^-

Bromate anion

bro3-

1060

CF₃

Trifluoromethyl radical

cf3

1061

CF₃^-

Trifluoromethyl anion

cf3-

1062

CF₃⁺

Trifluoromethyl cation

cf3+

1063

CF₂Cl

difluorochloromethyl radical

cf2cl

1064

SiF₃

Silicon trifluoride radical

sif3

1065

SiF₃⁺

Silicon trifluoride cation

sif3+

1066

CFCl₂

dichlorofluoromethyl radical

cfcl2

1067

CCl₃

Trichloromethyl radical

ccl3

1068

CCl₃^-

Trichloromethyl anion

ccl3-

1069

CCl₃⁺

Trichloromethyl cation

ccl3+

1070

SiCl₃

trichlorosilyl radical

sicl3

1071

SiCl₃⁺

trichlorosilyl cation

sicl3+

1072

CBr₃

tribromomethyl radical

cbr3

1073

FOOF

Perfluoroperoxide

foof

1074

ClO₂F

Chloryl fluoride

clo2f

1075

F₂SO

Thionyl Fluoride

f2so

1076

ClOOCl

Dichlorine dioxide

cloocl

1077

FSSF

Difluorodisulfane

fssf

1078

S₂F₂

Thio-thionyl fluoride

s2f2

1079

SOCl₂

thionyl chloride

socl2

1080

SSCl₂

Thiothionyl chloride

sscl2

1081

SeOCl₂

selenium oxychloride

seocl2

1082

NF₃

Nitrogen trifluoride

nf3

1083

NF₃^-

Nitrogen trifluoride anion

nf3-

1084

NF₃⁺

Nitrogen trifluoride cation

nf3+

1085

PF₃

Phosphorus trifluoride

pf3

1086

NCl₃

nitrogen trichloride

ncl3

1087

AsF₃

Arsenic trifluoride

asf3

1088

PCl₃

Phosphorus trichloride

pcl3

1089

SbF₃

Antimony Trifluoride

sbf3

1090

AsCl₃

Arsenous trichloride

ascl3

1091

SbCl₃

Antimony Trichloride

sbcl3

1092

PBr₃

Phosphorus tribromide

pbr3

1093

AsBr₃

Arsenic tribromide

asbr3

1094

NI₃

Nitrogen triiodide

ni3

1095

PI₃

Phosphorus triiodide

pi3

1096

ClSSCl

Disulfur dichloride

s2cl2

1097

SF₃

Sulfur trifluoride

sf3

1098

ClF₃

Chlorine trifluoride

clf3

1099

BrF₃

Bromine trifluoride

brf3

1100

IF₃

iodone trifluoride

if3

1101

HClO₃

Chloric Acid

hclo3

1102

CHF₃

Methane, trifluoro-

chf3

1103

CHF₂Cl

difluorochloromethane

chf2cl

1104

SiHF₃

trifluorosilane

sihf3

1105

CHFCl₂

fluorodichloromethane

chfcl2

1106

CDCl₃

trichloromethane-d

cdcl3

1107

CHCl₃

Chloroform

chcl3

1108

CHBrF₂

Methane, bromodifluoro-

chbrf2

1109

SiHCl₃

Trichlorosilane

sihcl3

1110

CHFClBr

fluorochlorobromomethane

chfclbr

1111

CHBrCl₂

Methane, bromodichloro-

chbrcl2

1112

CHF₂I

difluoroiodomethane

chf2i

1113

CHBr₂F

dibromofluoromethane

chbr2f

1114

CHFClI

fluorochloroiodomethane

chfcli

1115

CHCl₂I

dichloroiodomethane

chcl2i

1116

CHClBr₂

Methane, dibromochloro-

chclbr2

1117

CHBr₃

bromoform

chbr3

1118

CHI₃

Iodoform

chi3

1119

NF₃H⁺

protonated nitrogen trifluoride

nf3h+

1120

AsF₃H⁺

Arsenic trifluoride, protonated

asf3h+

1121

C₂H₂F₂

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

c2h2f2e

1122

C₂H₂F₂

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

c2h2f2z

1123

CH₂CF₂

Ethene, 1,1-difluoro-

ch2cf2

1124

C₂H₂ClF

1-chloro-1-fluoroethylene

c2h2clf

1125

CHFCHCl

(E)-1-chloro-2-fluoroethene

chfchcle

1126

CHFCHClz

(Z)-1-Chloro-2-fluoroethene

chfchclz

1127

CH₂CCl₂

Ethene, 1,1-dichloro-

ch2ccl2

1128

CHClCHCl

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

chclchcle

1129

CHClCHCl

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

chclchclz

1130

C₂H₂Br₂

1,1-dibromoethene

c2h2br2

1131

CHBrCHBr

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

chbrchbre

1132

CHBrCHBr

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

chbrchbrz

1133

CH₂FCHO

Fluoroacetaldehyde

ch2fcho

1134

CH₃COF

Acetyl fluoride

ch3cof

1135

CH₂ClCHO

chloroacetaldehyde

ch2clcho

1136

CH₃COCl

Acetyl Chloride

ch3cocl

1137

C₂H₄F₂

1,2-difluoroethane

c2h4f2

1138

CH₃CHF₂

Ethane, 1,1-difluoro-

ch3chf2

1139

CH₂FCH₂Cl

Ethane, 1-chloro-2-fluoro-

ch2fch2cl

1140

CH₃CHFCl

Ethane, 1-chloro-1-fluoro-

ch3chfcl

1141

CH₂ClCH₂Cl

Ethane, 1,2-dichloro-

ch2clch2cl

1142

CH₃CHCl₂

Ethane, 1,1-dichloro-

ch3chcl2

1143

CH₂BrCH₂Cl

1-bromo-2-chloroethane

ch2brch2cl

1144

CH₂BrCH₂Br

Ethane, 1,2-dibromo-

ch2brch2br

1145

CH₂CFCH₃

2-fluoropropene

2fpro

1146

CH₂CHCH₂F

Allyl Fluoride

allylf

1147

CH₃CHCHF

trans-1-Fluoro-1-propene

propene1ft

1148

C₃H₅Cl

1-Propene, 3-chloro-

prop1cl3

1149

C₃H₅Cl

1-chloro-1-propene(E)

prop1cl1e

1150

C₃H₅Cl

1-chloro-1-propene(Z)

prop1cl1z

1151

CH₂FCH₂OH

2-fluoroethanol

ch2fch2oh

1152

CH₂ClCH₂OH

2-Chloroethanol

ch2clch2oh

1153

CH₂ClCH₂OH₂⁺

2-chloroethanol, protonated

ch2clch2oh2+

1154

CH₂FCH₂CH₃

1-Fluoropropane

prf1

1155

CH₃CHFCH₃

2-Fluoropropane

prf2

1156

CH₂ClCH₂CH₃

Propane, 1-chloro-

prcl1

1157

CH₃CHClCH₃

Propane, 2-chloro-

prcl2

1158

CH₃CH₂CH₂Br

n-propyl bromide

prbr

1159

CH₃CHBrCH₃

i-propyl bromide

iprbr

1160

C₃H₉O⁺

trimethyl oxonium cation

c3h9o+

1161

B₅H₉

pentaborane9

b5h9

1162

C₅H₄

pentatetraene

ptrene

1163

C₅H₅

cyclopentadienyl radical

c5h5

1164

C₅H₅^-

cylopentadienyl anion

c5h5-

1165

C₅H₆

1,3-Cyclopentadiene

c542927

1166

C₅H₆

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

c78808

1167

C₅H₆

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

c2004695

1168

C₅H₆

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

c1574409

1169

C₅H₆

Bicyclo[2.1.0]pent-2-ene

c5164352

1170

C₅H₆

Cyclopropylacetylene

c6746947

1171

C₅H₆

Propellane

propellane

1172

C₅H₇

1,3-pentadienyl radical

pdyl

1173

C₅H₇

cyclopentenyl radical

cpyl

1174

C₅H₈

1,2-Butadiene, 3-methyl-

c598254

1175

C₅H₈

1,2-Pentadiene

c591957

1176

C₅H₈

1,3-Butadiene, 2-methyl-

c78795

1177

C₅H₈

1,3-Pentadiene, (E)-

c2004708

1178

C₅H₈

1,3-Pentadiene, (Z)-

c1574410

1179

C₅H₈

1,4-Pentadiene

c591935

1180

C₅H₈

1-pentyne

a1pentyne

1181

C₅H₈

2,3-Pentadiene

c591968

1182

C₅H₈

Bicyclo[1.1.1]pentane

bcp

1183

C₅H₈

Cyclobutane, methylene-

c1120565

1184

C₅H₈

Cyclopentene

c142290

1185

C₅H₈

Ethenylcyclopropane

c693867

1186

CH₃CCCH₂CH₃

2-Pentyne

2pentyne

1187

C₅H₁₀

1-Butene, 2-methyl-

c563462

1188

C₅H₁₀

2-Butene, 2-methyl-

c513359

1189

C₅H₁₀

2-Pentene, (E)-

c646048

1190

C₅H₁₀

2-Pentene, (Z)-

c627203

1191

C₅H₁₀

Cyclopentane

c287923

1192

C₅H₁₀

Cyclopropane, 1,1-dimethyl-

c1630940

1193

CH₂CHCH₂CH₂CH₃

1-pentene

pentene

1194

C₅H₁₁

2-Methylbut-2-yl radical

c4348350

1195

C₅H₁₂

Butane, 2-methyl-

buta2

1196

C₅H₁₂

Pentane

pentane

1197

C₅H₁₂

Propane, 2,2-dimethyl-

neopentane

1198

Si(CH₃)₄

tetramethylsilane

tms

1199

N₂O₃

Dinitrogen trioxide

n2o3

1200

C₃H₂N₂

Malononitrile

c3h2n2

1201

CH₂N₄

1H-Tetrazole

1htz

1202

C₃H₃N₂

imidazolyl radical

1203

C₃H₃N₂^-

imidizolyl anion

im-

1204

C₂H₃N₃

1H-1,2,4-Triazole

c288880

1205

C₄H₄N

pyrrolide radical

c4h4n

1206

C₄H₄N^-

pyrrolide anion

c4h4n-

1207

C₃H₄N₂

1H-Imidazole

1himidaz

1208

C₃H₄N₂

1H-Pyrazole

1hpyraz

1209

C₃H₄N₂

2H-Imidazole

imid2h

1210

C₃H₄N₂

4H-Imidazole

imid4h

1211

C₄H₅N

(E)-2-Butenenitrile

c627269

1212

C₄H₅N

(Z)-2-Butenenitrile

c1190767

1213

C₄H₅N

2H-pyrrole

pyrrole2

1214

C₄H₅N

3H-pyrrole

pyrrole3

1215

C₄H₅N

Cyclopropanecarbonitrile

c5500210

1216

C₄H₅N

Pyrrole

pyrrole

1217

CH₂CHCH₂CN

Allylcyanide

ch2chch2cn

1218

C₄H₆N⁺

pyrrole, alpha-protonated

appyr

1219

C₄H₆N⁺

pyrrole, protonated

ppyr

1220

C₃H₆N₂

3-Aminopropionitrile

c151188

1221

CH₃CH(CH₃)CN

Propanenitrile, 2-methyl-

c4h7n

1222

CH₃CH₂CH₂CN

Butanenitrile

c109740

1223

C₅H₈

Bicyclo[2.1.0]pentane

c185944

1224

C₅H₈

Spiropentane

c157404

1225

C₄H₉N

Cyclobutylamine

cbam

1226

C₄H₉N

Pyrrolidine

pyrrolidine

1227

C₃H₁₀N₂

1,2-Diaminopropane

diampr12

1228

C(CH₃)₃NH₂

2-Propanamine, 2-methyl-

c75649

1229

C(NH₂)H₂C(CH₃)HCH₃

1-Propanamine, 2-methyl-

c78819

1230

C(NH₂)H₂CH₂CH₂CH₃

1-Butanamine

butam1

1231

CH₃C(NH₂)HCH₂CH₃

2-Butanamine

butam2

1232

NH(C₂H₅)₂

diethylamine

dea

1233

NC₄H₁₂⁺

tetramethyl ammonium cation

nc4h12+

1234

C₃O₂

Carbon suboxide

c3o2

1235

C₃O₂⁺

Carbon suboxide cation

c3o2+

1236

B₂O₃

diboron trioxide

b2o3

1237

MgCO₃

Magnesium Carbonate

mgco3

1238

BeCO₃

Beryllium Carbonate

beco3

1239

CaCO₃

Calcium Carbonate

caco3

1240

ONONO

Nitrosyl nitrite

onono

1241

PO₄^---

phosphate

po4---

1242

SO₄^--

sulfate

so4--

1243

HOONO₂

peroxy nitric acid

hoono2

1244

HSO₄^-

bisulfate anion

hso4-

1245

C₂H₂N₂S

1,3,4-Thiadiazole

c2h2n2s

1246

C₃H₂O₂

Propiolic acid

c3h2o2

1247

CHOCOOH

oxo acetic acid

oaa

1248

CHOOCHO

diformyl ether

choocho

1249

H₂SO₄

Sulfuric acid

h2so4

1250

H₂SeO₄

Selenic acid

h2seo4

1251

C₃H₃NO

Isoxazole

isox

1252

C₃H₃NO

Oxazole

oxazole

1253

C₃H₃NS

Thiazole

thiazole

1254

CH₃C(O)OO

acetyl peroxy radical

ch3coo2

1255

CH₃NO₃

Methyl nitrate

ch3no3

1256

H₃PO₄

Phosphoric Acid

h3po4

1257

C₄H₄O

Furan

furan

1258

C₄H₄O⁺

Furan cation

furan+

1259

CH₃COCCH

3-butyn-2-one

c1423605

1260

C₄H₄S

Thiophene

furans

1261

C₄H₄Se

selenophene

c4h4se

1262

C₃H₄O₂

β–Propiolactone

beta

1263

C₃H₄O₂

2-Propenoic acid

propenoic2

1264

C₃H₄O₂

Methyl glyoxal

megly

1265

C₃H₄O₂

propanedial

1266

C₃H₄O₂

propenalol

1267

HOCHCCHOH

allenediol

aldiol

1268

C₂H₄O₃

1,2,3-trioxolane

c2h4o3

1269

C₂H₄O₃

trioxolane124

triox

1270

HOCH₂COOH

Hydroxyacetic acid

hac

1271

CH₂CHCONH₂

Acrylamide

c79061

1272

CH₃OCH₂CN

Methoxyacetonitrile

c1738369

1273

CH₅N₃S

Hydrazinecarbothioamide

c79196

1274

H₂NCH₂COOH

Glycine

glycine

1275

CH₃SO₂NH₂

methanesulfonamide

ch3so2nh2

1276

C₄H₆O

cis-2-butenal

butenal2c

1277

C₄H₆O

Cyclobutanone

cbutone

1278

C₄H₆O

Furan, 2,3-dihydro-

furan23h

1279

C₄H₆O

Furan, 2,5-dihydro-

furan25h

1280

CH₂CHOCHCH₂

Vinyl ether

vinylether

1281

CHOCHCHCH₃

2-Butenal

butenal2

1282

C₄H₆S

Thiophene, 2,3-dihydro-

thiop23h

1283

C₄H₆S

Thiophene, 2,5-dihydro-

thiop25h

1284

CH₂CHSCHCH₂

Divinyl sulfide

divis

1285

C₂H₆N₂O

Urea, methyl-

c598505

1286

C₃H₆O₂

1,3-Dioxolane

dioxolane

1287

CH₃CH₂COOH

Propanoic Acid

propanoic

1288

CH₃COOCH₃

methyl acetate

aame

1289

HCOOC₂H₅

Ethyl formate

faee

1290

C₂H₆O₂S

Dimethyl sulfone

c67710

1291

CH₃SSSCH₃

dimethyl trisulfide

c2h6s3

1292

C₃H₇NO

dimethylformamide

dmf

1293

C₃H₇NO

Propanamide

propanam

1294

C₂H₃OC₂H₅

Ethene, ethoxy-

c109922

1295

C₄H₈O

Cyclobutanol

c2919235

1296

C₄H₈O

Furan, tetrahydro-

thf

1297

CH₂C(CH₃)OCH₃

1-Propene, 2-methoxy-

pre1meo2

1298

CH₃COCH₂CH₃

2-Butanone

buta2one

1299

CHOCH(CH₃)CH₃

Propanal, 2-methyl-

c78842

1300

CHOCH₂CH₂CH₃

Butanal

butanal

1301

C₄H₈S

Thiophene, tetrahydro-

tht

1302

C₃H₈O₂

1,3-Propanediol

c504632

1303

C₃H₈O₂

Hydroperoxide, 1-methylethyl

c3031752

1304

C₃H₈O₂

Methane, dimethoxy-

c109875

1305

C₃H₈O₂

Propylene glycol

c57556

1306

C₃H₈S₂

1,3-Propanedithiol

c109808

1307

C₄H₁₀O

1-Butanol

butanol1

1308

C₄H₁₀O

1-Propanol, 2-methyl-

c78831

1309

C₄H₁₀O

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

butanol2

1310

C₄H₁₀O

Ethanol, 1,1-dimethyl-

tbuoh

1311

C₄H₁₀O

Ethoxy ethane

etoet

1312

C₄H₁₀O

Methyl propyl ether

meopr

1313

C₄H₁₀O

Propane, 2-methoxy-

c598538

1314

C₄H₁₀O⁺

1-Butanol cation

butanol1+

1315

C(CH₃)₃SH

2-Propanethiol, 2-methyl-

tbush

1316

C₂H₅SC₂H₅

Diethyl sulfide

etset

1317

C₄H₉SH

1-Butanethiol

bush

1318

CH₂(SH)CH(CH₃)CH₃

1-Propanethiol, 2-methyl-

c513440

1319

CH₃C(SCH₃)HCH₃

Propane, 2-(methylthio)-

mesipr

1320

CH₃CH(SH)CH₂CH₃

2-Butanethiol

butansl2

1321

FNO₃

Fluorine nitrate

fno3

1322

ClONO₂

Chlorine nitrate

clono2

1323

TiCl₄

Titanium tetrachloride

ticl4

1324

ClO₄^-

perchlorate anion

clo4-

1325

BF₄^-

tetrafluoroboron anion

bf4-

1326

ClFO₃

Perchloryl fluoride

clfo3

1327

SO₂F₂

Sulfuryl fluoride

so2f2

1328

SO₂Cl₂

Sulfuryl chloride

so2cl2

1329

F₃NO

Nitrogen trifluoride oxide

f3no

1330

F₃PO

Phosphoryl fluoride

pf3o

1331

Cl₃PO

Phosphoryl chloride

pcl3o

1332

CF₄

Carbon tetrafluoride

cf4

1333

CF₃Cl

Methane, chlorotrifluoro-

cf3cl

1334

SiF₄

Silicon tetrafluoride

sif4

1335

CF₂Cl₂

difluorodichloromethane

cf2cl2

1336

CFCl₃

Trichloromonofluoromethane

cfcl3

1337

CF₃Br

Bromotrifluoromethane

cf3br

1338

GeF₄

Germanium tetrafluoride

gef4

1339

CCl₄

Carbon tetrachloride

ccl4

1340

CCl₄⁺

Carbon tetrachloride cation

ccl4+

1341

CBrClF₂

Methane, bromochlorodifluoro-

cbrclf2

1342

SiCl₄

Silane, tetrachloro-

sicl4

1343

CBrCl₂F

bromodichlorofluoromethane

cbrcl2f

1344

CF₃I

trifluoroiodomethane

cf3i

1345

CBrCl₃

Methane, bromotrichloro-

cbrcl3

1346

CBr₂F₂

Methane, dibromodifluoro-

cbr2f2

1347

GeCl₄

Germanium Tetrachloride

gecl4

1348

CBr₂ClF

dibromochlorofluoromethane

cbr2clf

1349

CBr₂Cl₂

dibromodichloromethane

cbr2cl2

1350

CCl₃I

trichloroiodomethane

ccl3i

1351

CFBr₃

fluorotribromomethane

cfbr3

1352

CFClBrI

fluorochlorobromoiodomethane

cfclbri

1353

CBr₃Cl

tribromochloromethane

cbr3cl

1354

CF₂I₂

difluorodiiodomethane

cf2i2

1355

CBr₄

Carbon tetrabromide

cbr4

1356

CCl₂I₂

dichlorodiiodomethane

ccl2i2

1357

SiBr₄

Silicon tetrabromide

sibr4

1358

CBr₃I

tribromoiododmethane

cbr3i

1359

GeBr₄

Germanium tetrabromide

gebr4

1360

CI₄

tetraiodomethane

ci4

1361

SiI₄

silicon tetraiodide

sii4

1362

ClOF₃

Chlorine trifluoride oxide

clof3

1363

SF₄

Sulfur tetrafluoride

sf4

1364

SeF₄

Selenium tetrafluoride

sef4

1365

SCl₄

Sulfur tetrachloride

scl4

1366

C₂HF₃

Trifluoroethylene

c2hf3

1367

C₂HF₃⁺

Trifluoroethylene cation

c2hf3+

1368

CHClCCl₂

Trichloroethylene

chclccl2

1369

CHBrCF₂

1-Bromo-2,2-difluoroethylene

chbrcf2

1370

HClO₄

perchloric acid

hclo4

1371

HSO₃F

Fluorosulfonic acid

hso3f

1372

CF₃OH

trifluoromethanol

cf3oh

1373

CH₂ClCCCl

1,3-dichloropropyne

ch2clcccl

1374

CHClCCHCl

1,3-dichloroallene

chclcchcl

1375

CHCl₂CCH

3,3-dichloropropyne

chcl2cch

1376

CHCl₂CHO

dichloroacetaldehyde

chcl2cho

1377

PF₃CH₂

phosphorane, trifluoromethylene-

pf3ch2

1378

CH₃CF₃

Ethane, 1,1,1-trifluoro-

ch3cf3

1379

CHF₂CH₂F

Ethane, 1,1,2-trifluoro

ch2fchf2

1380

CH₃CF₂Cl

1-Chloro-1,1-Difluoroethane

ch3cf2cl

1381

CH₃CFCl₂

1,1-Dichloro-1-fluoroethane

ch3cfcl2

1382

CH₂ClCHCl₂

1,1,2-trichloroethane

ch2clchcl2

1383

CH₃CCl₃

Ethane, 1,1,1-trichloro-

ch3ccl3

1384

SiCl₃CH₃

methyltrichlorosilane

sicl3ch3

1385

CH₃CBr₃

1,1,1-tribromoethane

ch3cbr3

1386

NH₃BCl₃

Amminetrichloroboron

nh3bcl3

1387

SiH₃CCl₃

(trichloromethyl)silane

sih3ccl3

1388

CH₂CClCHCH₂

1,3-Butadiene, 2-chloro-

c4h5cl

1389

C₃H₅ClO

Oxirane, (chloromethyl)-

c106898

1390

CH₂FCH₂CH₂F

1,3-difluoropropane

ch2fch2ch2f

1391

CH₃CF₂CH₃

2,2-difluoropropane

ch3cf2ch3

1392

CH₂ClCH₂CH₂Cl

1,3-dichloropropane

prdicl13

1393

CH₂ClCHClCH₃

Propane, 1,2-dichloro-

prdicl12

1394

CH₃CCl₂CH₃

Propane, 2,2-dichloro-

prdicl22

1395

CHCl₂CH₂CH₃

1,1-dichloropropane

prdicl11

1396

SiCl₂(CH₃)₂

dichlorodimethylsilane

sicl2me2

1397

CH₂CClCH₂CH₃

1-Butene, 2-chloro-

bute1cl2

1398

CH₂CHCH₂CH₂Cl

1-Butene, 4-chloro-

bute1cl4

1399

CH₂CHCHClCH₃

1-Butene, 3-chloro-

bute1cl3

1400

CH₂ClCHCHCH₃

2-Butene, 1-chloro-

bute2cl1

1401

CH₃CClCHCH₃

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

bute2cl2e

1402

CH₃CClCHCH₃

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

bute2cl2z

1403

CHClCHCH₂CH₃

(E)-1-Chloro-1-butene

bute1cl1

1404

CHClCHCH₂CH₃

(Z)-1-Chloro-1-butene

bute1cl1z

1405

C₄H₉F

1-fluorobutane

butaf1

1406

CH₃CHFCH₂CH₃

2-fluorobutane

butaf2

1407

CH₂ClCH₂CH₂CH₃

Butane, 1-chloro-

butacl1

1408

CH₃CCl(CH₃)CH₃

Propane, 2-chloro-2-methyl-

procl2me2

1409

CH₃CHClCH₂CH₃

Butane, 2-chloro-

butacl2

1410

XeF₄

Xenon tetrafluoride

xef4

1411

C₂H₂N₂O

Furazan

furazan

1412

CF₃PH₂

phosphine, (trifluoromethyl)-

cf3ph2

1413

NH₃BF₃

Amminetrifluoroboron

nh3bf3

1414

C₆H₂

hexatriyne

c6h2

1415

C₆H₄

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

c6h4e

1416

C₆H₄

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

c6h4z

1417

C₆H₄

Benzyne

benzyne

1418

C₆H₅

phenyl

1419

C₆H₅^-

phenyl anion

phenyl-

1420

C₆H₆

Prismane

prismane

1421

C₆H₆

1,2,4,5-Hexatetraene

ht1245

1422

C₆H₆

2,4-Hexadiyne

hexadiyne

1423

C₆H₆

3,4-Dimethylenecyclobutene

cb34m

1424

C₆H₆

Benzene

benzene

1425

C₆H₆

Benzvalene

1426

C₆H₆

Dewar Benzene

dewar

1427

C₆H₆

Hexa-1,5-diene-3-yne

hdy153

1428

C₆H₆

Trimethylenecycopropane

tmcp

1429

C₆H₆⁺

Benzene cation

c6h6+

1430

C₆H₇⁺

benzene, protonated

c6h7+

1431

C₆H₈

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

c821078

1432

C₆H₈

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

c59660650

1433

C₆H₈

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

hexatri135

1434

C₆H₈

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

hetr234c

1435

C₆H₈

1,3-Cyclohexadiene

cyhexadiene13

1436

C₆H₈

1,4-Cyclohexadiene

cyhexadiene14

1437

C₆H₈

3-Methylenecyclopentene

c930267

1438

C₆H₈

Bicyclo[2.1.1]hex-2-ene

c822413

1439

C₆H₈

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

c30830207

1440

C₆H₈

Bicyclo[3.1.0]hex-2-ene

c694019

1441

C₆H₁₀

1,3-Hexadiene, (E)-

hexdi13e

1442

C₆H₁₀

1,3-Hexadiene, (Z)-

hexdi13z

1443

C₆H₁₀

1,4-Hexadiene, (E)-

hexdi14t

1444

C₆H₁₀

1,4-Hexadiene, (Z)-

hexdi14z

1445

C₆H₁₀

1,5-Hexadiene

c592427

1446

C₆H₁₀

1-Butyne, 3,3-dimethyl-

c917920

1447

C₆H₁₀

1-Hexyne

hexyne1

1448

C₆H₁₀

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

hexdi24ee

1449

C₆H₁₀

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

hexdi24ez

1450

C₆H₁₀

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

hexdi24zz

1451

C₆H₁₀

2-Hexyne

c764352

1452

C₆H₁₀

3-Hexyne

hexyne3

1453

C₆H₁₀

cyclohexene

1454

C₆H₁₀

Cyclopentene, 1-methyl-

c693890

1455

C₆H₁₀

Cyclopentene, 3-methyl-

c1120623

1456

C₆H₁₀

Cyclopentene, 4-methyl-

c1759815

1457

C₄H₆(CH₃)₂

1,1-dimethylcyclobutane

dmcb11

1458

C₆H₁₂

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

dmcb12t

1459

C₆H₁₂

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

dmcb13t

1460

C₆H₁₂

(E)-2-Hexene

e2hexene

1461

C₆H₁₂

(E)-3-methylpent-2-ene

c616126

1462

C₆H₁₂

(E)-hex-3-ene

e3hexene

1463

C₆H₁₂

(Z)-3-methylpent-2-ene

c922623

1464

C₆H₁₂

(Z)-hex-2-ene

z2hexene

1465

C₆H₁₂

(Z)-hex-3-ene

z3hexene

1466

C₆H₁₂

2,3-dimethylbut-1-ene

c563780

1467

C₆H₁₂

2,3-dimethyl-but-2-ene

tmeet

1468

C₆H₁₂

3-methylenepentane

c760214

1469

C₆H₁₂

cis-1,2-dimethylcyclobutane

dmcb12c

1470

C₆H₁₂

cis-1,3-dimethylcyclobutane

dmcb13c

1471

C₆H₁₂

Cyclohexane

cyclohexane

1472

C₆H₁₂

Cyclopentane, methyl-

c96377

1473

C₆H₁₂

Ethylcyclobutane

c4806615

1474

C₆H₁₂

hex-1-ene

hexene1

1475

C₆H₁₄

Butane, 2,2-dimethyl-

buta22

1476

C₆H₁₄

Butane, 2,3-dimethyl-

buta23

1477

C₆H₁₄

Hexane

hexane

1478

C₆H₁₄

Pentane, 2-methyl-

penta2

1479

C₆H₁₄

Pentane, 3-methyl-

penta3

1480

C₄N₂

2-Butynedinitrile

c4n2

1481

N₃P₃

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

n3p3

1482

C₄H₂N₂

Fumaronitrile

c4h2n2

1483

C₂H₂N₄

sym-tetrazine

ttz

1484

C₃H₃N₃

1,3,5-Triazine

triazine135

1485

CH₃N₅

5-Aminotetrazole

c4418615

1486

C₄H₄N₂

1,3-Diazine

diazine13

1487

C₄H₄N₂

Pyrazine

pyrazine

1488

C₄H₄N₂

Pyridazine

pyridazine

1489

C₄H₄N₂

Succinonitrile

c110612

1490

C₂H₄N₄

1H-Tetrazole, 1-methyl-

c16681779

1491

C₂H₄N₄

1H-Tetrazole, 5-methyl-

c4076362

1492

C₂H₄N₄

2H-Tetrazole, 2-methyl-

c16681780

1493

C₅H₅N

Bicyclo[1.1.0]butane-1-carbonitrile

bibucn

1494

C₅H₅N

E-2,4-pentadienenitrile

bdcn

1495

C₅H₅N

Pyridine

pyridine

1496

B₃N₃H₆

borazine

1497

C₆H₆

Fulvene

fulvene

1498

C₅H₆N⁺

Pyridinium

c5h6n

1499

C₄H₆N₂

1H-Imidazole, 2-methyl-

c693981

1500

C₅H₇N

(E)-2-Pentenenitrile

c26294984

1501

C₅H₇N

(E)-3-Pentenenitrile

c16529661

1502

C₅H₇N

(Z)-2-Pentenenitrile

c25899507

1503

C₅H₇N

1H-Pyrrole, 1-methyl-

c96548

1504

C₅H₇N

Cyclobutanecarbonitrile

c4426113

1505

C₅H₉N

1,2,3,6-Tetrahydropyridine

c694053

1506

C₅H₉N

Butanenitrile, 2-methyl-

c18936179

1507

C₅H₉N

Pentanenitrile

c110598

1508

C₅H₉N

Propanenitrile, 2,2-dimethyl-

c630182

1509

C₆H₁₀

Bicyclo[3.1.0]hexane

c285585

1510

C₅H₁₁N

Cyclopentanamine

cypentam

1511

C₅H₁₁N

Piperidine

piper

1512

C₄H₁₂N₂

1,2-Butanediamine

c4426486

1513

C₄H₁₂N₂

2-Methyl-1,2-propanediamine

c811938

1514

Li₂CO₃

Lithium Carbonate

li2co3

1515

Na₂CO₃

Sodium Carbonate

na2co3

1516

C₂O₄^--

oxalate anion

c2o4

1517

MgSO₄

Magnesium Sulfate

mgso4

1518

N₂O₄

Dinitrogen tetroxide

n2o4

1519

C₃H₂O₃

vinylene carbonate

vica

1520

C₂H₂O₄

Oxalic Acid

oxalic

1521

C₂H₃NO₃

Oxamic acid

oxamic

1522

C₄H₄O₂

2(5H)-Furanone

furanone

1523

C₄H₄O₂

2-Oxetanone, 4-methylene-

c674828

1524

C₂H₄N₂O₂

Oxalamide

oxalamide

1525

C₂H₄N₂S₂

Ethanedithioamide

c79403

1526

C₂H₄CO₃

Ethylene carbonate

etco3

1527

C₃H₄O₂S

2H-Thiete-1,1-dioxide

c7285327

1528

C₃H₄S₃

1,3-Dithiolane-2-thione

c822388

1529

C₂H₄O₄

Formic acid dimer

fadimer

1530

C₄H₅NO

3-Methylisoxazole

isox3m

1531

C₄H₅NO

Isoxazole, 5-methyl-

c5765446

1532

C₄H₅NS

4-Methylthiazole

c693958

1533

C₂H₅NO₃

Nitric acid, ethyl ester

c625581

1534

C₅H₆O

2H-Pyran

pyran2

1535

C₅H₆O

2-methylfuran

furan2m

1536

C₅H₆O

3-Methylfuran

furan3m

1537

C₅H₆O

Pentadienal

pdal

1538

C₅H₆S

Thiophene, 2-methyl-

c554143

1539

C₅H₆S

Thiophene, 3-methyl-

c616444

1540

C₄H₆O₂

γ–Butyrolactone

c96480

1541

C₄H₆O₂

2,3-Butanedione

c431038

1542

C₄H₆O₂

2-Propenoic acid, methyl ester

c96333

1543

C₄H₆O₂

Crotonic Acid

crot

1544

C₄H₆OS

2,3-dihydrothiophene-2-ol

c9000117

1545

C₄H₆OS

2,5-dihydrothiophene-3-ol

c9000093

1546

C₄H₆OS

4,5-dihydrothiophene-2-ol

c9000106

1547

C₄H₆OS

4,5-dihydrothiophene-3-ol

c9000082

1548

C₄H₆OS

Dihydro-2-(3H)-thiophenone

c1003107

1549

C₄H₆OS

Dihydro-3-(2H)-thiophenone

c1003049

1550

C₄H₆OS

Vinyl sulfoxide

c1115157

1551

CH₆N₄S

Carbonothioic dihydrazide

thiacarb

1552

C₂H₆N₂O₂

(E)-Azodioxymethane

c37765154

1553

C₂H₆N₂O₂

Dimethylnitroamine

c4164287

1554

C₃H₆O₃

1,3,5-Trioxane

trioxane

1555

C₃H₆S₃

1,3,5-Trithiane

c3h6s3

1556

C₃H₆S₃

Carbonotrithioic acid, dimethyl ester

c2314489

1557

C₂H₆O₃S

Sulfurous acid, dimethyl ester

c616422

1558

C₄H₇NO

2-Pyrrolidinone

c616455

1559

C₄H₇NO

Ethoxyacetonitrile

etoaccn

1560

C₄H₇NO

Methacrylamide

c79390

1561

C₄H₇NO

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

c1120645

1562

HCONH₂CN₂H₄

formamide aminomethanimine dimer

d13

1563

C₃H₇ONO

Propyl nitrite

prono

1564

CH₃CH(CH₃)ONO

Isopropyl nitrite

c541424

1565

CH₃CH(NH₂)COOH

Alanine

alanine

1566

CH₃NHCH₂COOH

Sarcosine

sarcosine

1567

NH₂CH₂CH₂COOH

β–alanine

betaalanine

1568

NH₂COOC₂H₅

Urethane

urethane

1569

C₅H₈O

2H-Pyran, 3,4-dihydro-

c110872

1570

C₅H₈O

Cyclopentanone

c120923

1571

C₅H₈O

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

c1487156

1572

C₅H₈O

Methyl cyclopropyl ketone

c765435

1573

N(CH₃)₂CONH₂

Urea, N,N-dimethyl-

c598947

1574

NH(CH₃)CONH(CH₃)

Urea, N,N'-dimethyl-

c96311

1575

NH₂CONHC₂H₅

Urea, ethyl-

c625525

1576

C₄H₈O₂

1,3-Dioxane

dioxan13

1577

C₄H₈O₂

1,3-Dioxolane, 2-methyl-

c497267

1578

C₄H₈O₂

1,4-Dioxane

dioxan14

1579

C₄H₈O₂

Ethene, 1,1-dimethoxy-

c922690

1580

C₄H₈O₂

Ethyl acetate

c141786

1581

C₄H₈OS

s-Ethyl thioacetate

c625605

1582

C₃H₈O₃

1,2,3-Propanetriol

glycerin

1583

C₃H₈O₂S

(Methylsulfonyl)ethane

c594434

1584

C₄H₉NO

Butanamide

c541355

1585

C₄H₉NO

Propanamide, 2-methyl-

c563837

1586

C₅H₁₀O

2-Butanone, 3-methyl-

c563804

1587

C₅H₁₀O

2H-Pyran, tetrahydro-

c142687

1588

C₅H₁₀O

2-methylbutyraldehyde

2meba

1589

C₅H₁₀O

2-Pentanone

mpk

1590

C₅H₁₀O

3-Pentanone

dek

1591

C₅H₁₀O

Cyclopentanol

c96413

1592

C₅H₁₀O

Oxetane, 3,3-dimethyl-

c6921353

1593

C₅H₁₀O

Pentanal

pal

1594

C₅H₁₀S

2H-Thiopyran, tetrahydro-

c1613510

1595

C₅H₁₀S

3-Ethylthio-1-propene

c5296628

1596

C₅H₁₀S

Cyclopentanethiol

c1679078

1597

C₅H₁₀S

Thiophene, tetrahydro-2-methyl-

c1795091

1598

C₅H₁₀S

Thiophene, tetrahydro-3-methyl-

c4740005

1599

C₄H₁₀O₂

1,1-Dimethoxyethane

c534156

1600

C₄H₁₀O₂

1,3-Butanediol

budiol13

1601

C₄H₁₀O₂

1,4-Butanediol

budiol14

1602

C₄H₁₀O₂

Ethane, 1,2-dimethoxy-

c110714

1603

C₄H₁₀OS

Diethyl sulfoxide

c70291

1604

C₄H₁₀S₂

1,4-Butanedithiol

budisl14

1605

C₄H₁₁NO

Diethylhydroxylamine

c3710847

1606

C₅H₁₂O

1-Butanol, 2-methyl-

c137326

1607

C₅H₁₂O

1-Butanol, 3-methyl-

c123513

1608

C₅H₁₂O

1-Pentanol

pentanol1

1609

C₅H₁₂O

2-Butanol, 3-methyl-

c598754

1610

C₅H₁₂O

2-Pentanol

peol2

1611

C₅H₁₂O

3-Pentanol

pentan3ol

1612

C₅H₁₂O

Butane, 1-methoxy-

meobu

1613

C₅H₁₂O

Propane, 1-ethoxy-

proet

1614

C₅H₁₂O

Propane, 2-methoxy-2-methyl-

c1634044

1615

C₅H₁₂S

1-Butanethiol, 2-methyl-

c1878188

1616

C₅H₁₂S

1-Butanethiol, 3-methyl-

c541311

1617

C₅H₁₂S

1-Pentanethiol

c110667

1618

C₅H₁₂S

1-Propanethiol, 2,2-dimethyl-

c1679089

1619

C₅H₁₂S

2-Butanethiol, 2-methyl-

c1679090

1620

C₅H₁₂S

2-Butanethiol, 3-methyl-

c2084186

1621

C₅H₁₂S

Butane, 1-(methylthio)-

c628295

1622

C₅H₁₂S

Ethyl propyl sulfide

c4110503

1623

C₅H₁₂S

Propane, 2-(ethylthio)-

c5145993

1624

C₅H₁₂S

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

c6163640

1625

C₄F₂

difluorobutadiyne

c4f2

1626

ClCOClCO

Oxalyl chloride

oxcl

1627

CF₃CN

Acetonitrile, trifluoro-

cf3cn

1628

CF₃CN⁺

Acetonitrile, trifluoro- cation

cf3cn+

1629

B₂F₄

Diboron tetrafluoride

b2f4

1630

B₂Cl₄

Diboron tetrachloride

b2cl4

1631

C₂F₄

Tetrafluoroethylene

c2f4

1632

C₂F₄⁺

Tetrafluoroethylene cation

c2f4+

1633

C₂ClF₃

Ethene, chlorotrifluoro-

c2f3cl

1634

CF₂CCl₂

difluorodichloroethylene

cf2ccl2

1635

CFClCClF

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

cfclcclf

1636

CFClCFCl

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

cfclcfcl

1637

C₂FCl₃

fluorotrichloroethene

c2fcl3

1638

C₂Cl₄

Tetrachloroethylene

c2cl4

1639

C₂Br₄

tetrabromoethene

c2br4

1640

CF₃OF

Trifluoromethylhypofluorite

cf3of

1641

SiF₅^-

silicon pentafluoride anion

sif5-

1642

SOF₄

Sulfur tetrafluoride oxide

sof4

1643

PF₅

Phosphorus pentafluoride

pf5

1644

AsF₅

Arsenic pentafluoride

asf5

1645

PCl₅

Phosphorus pentachloride

pcl5

1646

SF₅

Sulfur pentafluoride

sf5

1647

SF₅⁺

pentafluoro sulfur cation

sf5+

1648

SbCl₅

Antimony pentachloride

sbcl5

1649

BrF₅

bromine pentafluoride

brf5

1650

ClF₅

chlorinepentafluoride

clf5

1651

IF₅

pentafluoroiodine

if5

1652

CF₃CHO

trifluoroacetaldehyde

cf3cho

1653

CCl₃CHO

trichloroacetaldehyde

ccl3cho

1654

CHFClCHClF

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

chfclchclf

1655

CF₃CH₂F

1,1,1,2-tetrafluoroethane

cf3ch2f

1656

CHF₂CHF₂

1,1,2,2-tetrafluoroethane

chf2chf2

1657

CF₃CH₂Cl

2,2,2-Trifluoroethyl chloride

cf3ch2cl

1658

CHFClCHFCl

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

chfclchfcl

1659

CH₂ClCCl₃

1,1,1,2-tetrachloroethane

ch2clccl3

1660

CHCl₂CHCl₂

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

chcl2chcl2

1661

CH₂BrCBr₃

1,1,1,2-tetrabromo ethane

c2h2br4

1662

CHCl₂CHF₂

1,1-dichloro-2,2-difluoroethane

c2h2cl2f2

1663

CF₃COOH

trifluoroacetic acid

cf3cooh

1664

C₄H₃ClO

Furan, 2-chloro

fur2cl

1665

C₄H₃ClO

Furan,3-chloro

fur3cl

1666

C₃H₅ClO₂

Carbonochloridic acid, ethyl ester

c541413

1667

C₃H₅Cl₃

Propane, 1,2,3-trichloro-

prcl135

1668

C₄H₈Cl₂

1,4-Dichlorobutane

c110565

1669

C₄H₈Cl₂

Butane, 1,2-dichloro-

c616217

1670

C₄H₈Cl₂

Butane, 1,3-dichloro-

c1190223

1671

C₄H₈Cl₂

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

c2211678

1672

C₄H₈Cl₂

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

c4028562

1673

C₄H₉ClO

1-Chloro-2-ethoxyethane

c628342

1674

C₅H₁₁Cl

Pentane, 1-chloro-

pencl1

1675

C₄H₈O₂

Butanoic acid

bua

1676

C₆H₅CH₂

benzyl radical

benzyl

1677

C₇H₇

cycloheptatrienyl radical

c7h7

1678

C₇H₇⁺

cycloheptatrienyl cation

c7h7+

1679

C₆H₅CH₃

toluene

1680

C₇H₈

cycloheptatriene

cht

1681

C₇H₈

Norbornadiene

norbor

1682

C₇H₈

Quadricyclane

qucy

1683

C₇H₁₂

Norbornane

nor

1684

C₇H₁₄

cycloheptane

c7h14

1685

C₇H₁₆

2-methylhexane

2mhex

1686

C₇H₁₆

3-methylhexane

hex3m

1687

C₇H₁₆

heptane

1688

CH(CN)₃

tricyanomethane

mecn3

1689

HN=C=C(CN)₂

Dicyanoketenimine

c4hn3

1690

C₆H₇N

2-Methylpyridine

1691

C₆H₅NH₂

aniline

1692

C₆H₁₃N

2-Methylpiperidine

pip2m

1693

C₆H₁₃N

cyclohexanamine

cham

1694

C₆H₁₅N

triethylamine

tea

1695

N₂O₅

Dinitrogen pentoxide

n2o5

1696

C₄H₂O₃

Maleic Anhydride

malan

1697

C₅H₄O₂

4-Cyclopentene-1,3-dione

cpdio

1698

C₅H₄O₂

furfural

1699

C₆H₅O

phenoxy radical

phenoxy

1700

C₅H₅NO

2(1H)-Pyridinone

c72762006

1701

C₅H₅NO

2(3H)-Pyridinone

c9000048

1702

C₅H₅NO

2(5H)-Pyridinone

c9000037

1703

C₅H₅NO

2-Pyridinol

c109104

1704

C₅H₅NO

3(2H)-Pyridinone

c9000004

1705

C₅H₅NO

3(4H)-Pyridinone

c9000026

1706

C₅H₅NO

3(6H)-Pyridinone

c9000015

1707

C₅H₅NO

3-Pyridinol

c109002

1708

C₅H₅NO

4(1H)-Pryidinone

c9000060

1709

C₅H₅NO

4(3H)-Pryidinone

c9000059

1710

C₅H₅NO

4-Pyridinol

c626642

1711

C₆H₅OH

phenol

1712

C₆H₆O

2,4-Cyclohexadienone

c24599573

1713

C₆H₆O

2,5-Cyclohexadienone

c5664335

1714

C₆H₅SH

Benzenethiol

phsh

1715

HO₂CCHNH₂CH₂OH

Serine

serine

1716

C₅H₈O₂

Acetylacetone

acac

1717

C₄H₈O₂S

Sulfolane

sulfolane

1718

C₇H₁₀

Norbornene

norbornene

1719

CH(C₂H₃)₃

trivinyl methane

tvm

1720

C₆H₁₀O

cyclohexanone

chexo

1721

C₆H₁₂O

hexanal

c6h12o

1722

C₆H₁₂O

Oxepane

oxepane

1723

C₃H₇OC₃H₇

di-n-propyl ether

propr

1724

F₂CCCF₂

tetrafluoroallene

pfa

1725

CF₃COO^-

trifluoro acetate anion

cf3coo-

1726

CF₃COF

trifluoroacetyl fluoride

cf3cof

1727

CF₃COCl

trifluoroacetyl chloride

cf3cocl

1728

PF₆

Hexafluorophosphate neutral

pf6

1729

SF₆

Sulfur Hexafluoride

sf6

1730

SeF₆

Selenium hexafluoride

sef6

1731

SF₅Cl

sulfur chloropentafluoride

sf5cl

1732

CF₃CHF₂

pentafluoroethane

cf3chf2

1733

CF₃CHFCl

1,1,1,2-tetrafluorochloroethane

cf3chfcl

1734

CF₃CHCl₂

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

cf3chcl2

1735

CHCl₂CClF₂

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

chcl2cclf2

1736

CCl₃CHCl₂

pentachloroethane

ccl3chcl2

1737

C₆H₅F

Fluorobenzene

bzf

1738

C₆H₅Cl

chlorobenzene

bzcl

1739

C₆H₅Br

bromobenzene

bzbr

1740

C₈H₆

Calicene

calicene

1741

C₆H₅CCH

phenylacetylene

phac

1742

C₈H₆

benzocyclobutadiene

bcbd

1743

C₈H₆

Pentalene

pentalene

1744

C₆H₅CHCH₂

Styrene

styrene

1745

C₈H₈

cubane

1746

C₈H₈

cyclooctatetraene

cot

1747

C₆H₅CH₂CH₃

Ethylbenzene

etbz

1748

CH₃C₆H₄CH₃

meta-xylene

mxylene

1749

CH₃C₆H₄CH₃

paraxylene

pxylene

1750

C₈H₁₄

Bicyclo[2.2.2]octane

bico222

1751

C₈H₁₆

cyclooctane

cyclooct

1752

(CH₃)₃CC(CH₃)₃

tetramethylbutane

tmb

1753

C₈H₁₈

Octane

c8h18

1754

C₆H₅CN

phenyl cyanide

phcn

1755

C₆H₁₂N₂

Triethylenediamine

ted

1756

C₄O₄^--

squarate dianion

c4o4--

1757

S₄N₄

Tetrasulfur tetranitride

s4n4

1758

S₈

Octasulfur

1759

C₆H₄O₂

parabenzoquinone

pbq

1760

C₄H₄N₂O₂

Uracil

uracil

1761

C₆H₅CHO

benzaldehyde

benzal

1762

C₆H₅OCH₃

Anisole

anisole

1763

C₅H₉NO₂

Proline

proline

1764

C₆H₁₂O₂

Methyl pivalate

c598981

1765

C₆H₁₂O₂

Hexanoic acid

hexa

1766

C₄F₄

tetrafluorcyclobutadiene

c4f4

1767

Al₂Cl₆

Aluminum, di-μ-chlorotetrachlorodi-

al2cl6

1768

CF₃CF₂Cl

pentafluorochloroethane

cf3cf2cl

1769

CF₂ClCF₂Cl

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

cf2clcf2cl

1770

CF₃CFCl₂

1,1-Dichlorotetrafluoroethane

cf3cfcl2

1771

CF₂ClCFCl₂

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

cf2clcfcl2

1772

CF₃CCl₃

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

cf3ccl3

1773

C₂F₆

hexafluoroethane

c2f6

1774

C₂Cl₆

hexachloroethane

c2cl6

1775

IF₇

Iodine heptafluoride

if7

1776

C₆H₄F₂

metadifluorobenzene

mdfb

1777

C₆H₄F₂

orthodifluorobenzene

odfb

1778

C₆H₄F₂

1,4-difluorobenzene

pdfb

1779

C₆H₄Cl₂

1,2-dichlorobenzene

dcb12

1780

C₆H₄Cl₂

1,3-dichlorobenzene

dcb13

1781

C₆H₄Cl₂

1,4-dichlorobenzene

dcb14

1782

C₆H₅NO

nitrosobenzene

bzno

1783

C₉H₈

Indene

indene

1784

C₉H₈

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

snt

1785

C₉H₁₂

n-propyl benzene

prbz

1786

C₉H₂₀

Nonane

nonane

1787

C(CN)₄

tetracyanomethane

c5n4

1788

C₅H₄N₄

purine

1789

C₈H₇N

Indole

indole

1790

C₆H₅NO₂

Nitrobenzene

c6h5no2

1791

C₆H₅COOH

benzoic acid

benzo

1792

CH₃COC₆H₅

acetophenone

acph

1793

C₃Cl₃N₃

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

c3cl3n3

1794

C₃F₆

hexafluoropropene

c3f6

1795

C₆H₃F₃

Benzene trifluoride 123

bzf3a

1796

C₈H₁₈O

1-Octanol

octanol

1797

C₁₀H₈

Azulene

azu

1798

C₁₀H₈

naphthalene

naph

1799

C₁₀H₁₀

bullvalene

bullv

1800

C₁₀H₁₆

adamantane

1801

C₆N₄

Tetracyanoethylene

tcne

1802

C₆N₄^-

tetracyanoethylene anion

tcne-

1803

C₁₀H₂₂

Decane

decane

1804

C₄F₆

perfluorobutadiene

c4f6

1805

SF₅CF₃

Sulfur, pentafluoro(trifluoromethyl)-

sf5cf3

1806

C₃F₈

perfluoropropane

c3f8

1807

Fe(CO)₅

Iron pentacarbonyl

ipc

1808

Fe(C₅H₅)₂

ferrocene

fecp2

1809

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1810

B₁₂H₁₂^--

Dodecahydrododecaborate(2-)

b12h12--

1811

C₁₂H₈

Acenaphthylene

acenaph

1812

C₁₂H₈

biphenylene

biph

1813

C₁₂H₁₀

biphenyl

1814

C₁₂H₁₀

Heptalene

heptalene

1815

C₆H₁₂O₆

Inositol

inositol

1816

C₆F₆

hexafluorobenzene

c6f6

1817

S₂F₁₀

disulphur decafluoride

s2f10

1818

C₁₃H₁₀

Fluorene

fluorene

1819

C₁₄H₁₀

Anthracene

anth

1820

C₁₄H₁₀

Phenanthrene

phenanthrene

1821

C₁₄H₁₄

Bibenzyl

bibenzyl

1822

C₁₂H₁₀N₂

azobenzene

1823

C₆H₅COC₆H₅

benzophenone

1824

C₁₆H₁₀

Pyrene

pyrene

1825

C₁₈H₁₂

Tetracene

tetracene

1826

C₁₉H₁₆

Triphenylmethane

tpm

1827

C₂₄H₁₂

Coronene

coronene

1828

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