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Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at wB97X-D /aug-cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li- Lithium atom anion 1SKh
11 LiH+ lithium hydride cation 2ΣC∞v
12 MgH magnesium monohydride 2ΣC∞v
13 ZnH+ Zinc, protonated   
14 BeH2+ Beryllium dihydride cation   
15 MgH2 magnesium dihydride 1ΣgD∞h
16 Al Aluminum atom 2PKh
17 Al- Aluminum atom anion 3PKh
18 Al+ Aluminum atom cation 1SKh
19 Ga Gallium atom 2P 
20 Ga- Gallium atom anion 3POh
21 Ga+ Gallium atom cation 1S 
22 BH Boron monohydride 1ΣC∞v
23 BH Boron monohydride 3ΠC∞v
24 GaH Gallium monohydride 1ΣC∞v
25 GaH+ Gallium monohydride cation 2ΣC∞v
26 BH3+ boron trihydride cation 2B2C2v
27 BH3+ boron trihydride cation  C2v
28 AlH3 aluminum trihydride 1A1'D3h
29 AlH3- aluminum trihydride anion  C3v
30 BH4 borohydride 2B2C2v
31 BH4- borohydride anion 1A1Td
32 C Carbon atom 3P0Kh
33 Si- Silicon atom anion 4SKh
34 Ge Germanium atom 3PKh
35 Ge- Germanium anion 4SKh
36 Ge+ Germanium cation 2PKh
37 CH Methylidyne 2Π1/2C∞v
38 SiH Silylidyne 2ΠC∞v
39 SiH+ silicon monohydride cation 1ΣC∞v
40 GeH germylidene 2ΠC∞v
41 GeH+ Germaniun monohyrdide cation 1ΣC∞v
42 CH2- methylene anion 2B1C2v
43 GeH2 germylene 1A1C2v
44 CH3 Methyl radical 2A1D3h
45 SiH3 Silyl radical 2A1C3v
46 SiH3+ Silyl cation 1A1'D3h
47 GeH3 Germyl radical 2A1C3v
48 GeH3+ germyl cation 1A1'D3h
49 CH4 Methane 1A1Td
50 SiH2D2 silane-d2   
51 SiH4 Silane 1A1Td
52 GeH4 Germane 1A1Td
53 SiH5+ Silane, protonated   
54 N Nitrogen atom 4SKh
55 P Phosphorus atom 4SKh
56 V+ Vanadium atom cation 5DKh
57 As Arsenic atomic 4SKh
58 As- Arsenic anion 3PKh
59 As+ Arsenic cation 3PKh
60 PH phosphorus monohydride 3Σ-C∞v
61 AsH Arsenic monohydride 3ΣC∞v
62 NH2 Amino radical 2B1C2v
63 NH2+ Amino cation 3B1C2v
64 NH2+ Amino cation 1A1C2v
65 NH3 Ammonia 1A1C3v
66 NH3- Ammonia anion 2A1C3v
67 PH3 Phosphine 1A1C3v
68 PH3+ Phosphine cation 2A1C3v
69 AsH3 Arsine 1A1C3v
70 AsH3+ Arsine cation 2A1C3v
71 AsH4+ Arsonium   
72 NH4 Ammonium radical   
73 NH4+ ammonium cation 1A1Td
74 PH4 Phosphoranyl radical   
75 PH4+ phosphonium cation   
76 O Oxygen atom 3SKh
77 S Sulfur atom 3PKh
78 S Sulfur atom   
79 S- Sulfur atom anion 2PKh
80 S+ Sulfur atom cation 4SKh
81 Se Selenium atom 3PKh
82 Se- Selenium atom anion 2PKh
83 Se+ Selenium atom cation 4SKh
84 OH Hydroxyl radical 2ΠC∞v
85 OH- hydroxide anion 1ΣC∞v
86 OH+ hydoxyl cation 3ΣC∞v
87 HS- mercapto anion 1ΣC∞v
88 HS+ sulfur monohydride cation 3ΣC∞v
89 CrH Chromium hydride 6ΣC∞v
90 CrH+ Chromium hydride cation 5ΣC∞v
91 HSe Selenium monohydride 2ΠC∞v
92 HSe- selenium monohydride anion 1ΣC∞v
93 HSe+ selenium monohydride cation 3ΣC∞v
94 H2O Water 1A1C2v
95 H2O- water anion 2A1C2v
96 H2O- water anion 2A'Cs
97 H2O+ water cation 2B1C2v
98 HDO Water-d1 1A1C2v
99 H2S Hydrogen sulfide 1A1C2v
100 H2S+ Hydrogen sulfide cation 2B1C2v
101 H2Se Hydrogen selenide 1A1C2v
102 H2Se+ Hydrogen selenide cation 2B1C2v
103 H3O+ hydronium cation 1A1C3v
104 H3S+ Sulfonium cation 1A1C3v
105 H3Se+ Hydrogen Selenide, protonated 1A1C3v
106 F Fluorine atom 2PKh
107 F- Fluorine atom anion 1SKh
108 F+ Fluorine atom cation 3SKh
109 F+ Fluorine atom cation 1DKh
110 Cl Chlorine atom 2PKh
111 Cl- Chlorine atom anion 1SKh
112 Cl+ Chlorine atom cation 3PKh
113 Cl+ Chlorine atom cation 1DKh
114 Br Bromine atom 2PKh
115 Br- Bromine atom anion 1SKh
116 Br+ Bromine atom cation 3PKh
117 HF Hydrogen fluoride 1ΣC∞v
118 HF- hydrogen fluoride anion 2ΣC∞v
119 HF+ hydrogen fluoride cation 2ΠC∞v
120 HCl Hydrogen chloride 1ΣC∞v
121 HCl- hydrogen chloride anion 2ΣC∞v
122 HCl+ hydrogen chloride cation 2ΠC∞v
123 HBr hydrogen bromide 1ΣC∞v
124 HBr- hydrogen bromide anion 2ΣC∞v
125 HBr+ hydrogen bromide cation 2ΠC∞v
126 H2Cl+ dihydrogen monochloride cation 1A1C2v
127 H2Br+ protonated hydrogen bromide 2A1C2v
128 Ne Neon atom   
129 Kr Krypton atom 1SKh
130 Kr+ Krypton cation 2PKh
131 HeLi+ Helium Lithium cation   
132 ArH+ Argon hydride cation 1ΣC∞v
133 KrH+ Protonated Krypton 1ΣC∞v
134 H2Ar H2 Ar dimer 1ΣC∞v
135 NaLi lithium sodium 1ΣC∞v
136 Na2 Sodium diatomic 1ΣgD∞h
137 Na2- sodium diatomic anion 2ΣuD∞h
138 Na2+ sodium diatomic cation 2ΣgD∞h
139 BeMg Beryllium Magnesium 1ΣC∞v
140 LiAl Lithium Aluminum   
141 NaAl Sodium aluminum 1ΣC∞v
142 BAl Boron Aluminum 3ΣC∞v
143 BGa Boron Gallium 3ΣC∞v
144 AlGa Aluminum Gallium 3ΣC∞v
145 AlGa Aluminum Gallium 1ΣC∞v
146 HBBH Diborane(2) 3ΣGD∞h
147 B2H4 Diborane(4) D2d 1A1D2d
148 HBHHBH Diborane(4) C2V 1A1C2v
149 B2H6 Diborane 1AgD2h
150 B2H6+ Diborane cation   
151 BSi Boron silicide 4ΣC∞v
152 BSi Boron silicide 2ΣC∞v
153 GeC Germanium monocarbide 1ΣC∞v
154 SiGe Silicon Germanium   
155 C2H Ethynyl radical 2ΣC∞v
156 C2H- Ethynyl anion 1ΣC∞v
157 C2H2 Acetylene 1ΣgD∞h
158 C2H2+ acetylene cation 2ΠuD∞h
159 C2H2+ acetylene cation   
160 H2CC- vinylidene anion   
161 HCCH- acetylene anion   
162 Si2H2 disilyne   
163 Si2H2 disilyne   
164 Si2H2 disilyne   
165 Si2H2 disilyne   
166 CH3Li methyl lithium 1A1C3v
167 CH2BH methyleneborane 1A1C2v
168 C2H3 vinyl 2A'Cs
169 C2H3- vinyl anion 1A'Cs
170 C2H3+ vinyl cation 1A1C2V bridging H
171 C2H3+ vinyl cation 1A1C2V HCCH2
172 C2H4 Ethylene 1AgD2h
173 C2H4+ Ethylene cation 2B3D2
174 Si2H4 Disilene   
175 Si2H4 Disilene   
176 Si2H4 Disilene   
177 CH3BH2 methylborane 1A'Cs
178 C2H5 Ethyl radical 2A'Cs
179 C2H6 Ethane 1A1gD3d
180 Si2H6 disilane 1EuD3d
181 LiN Lithium Nitride 3ΣC∞v
182 LiP Lithium monophosphide   
183 LiP Lithium monophosphide   
184 MgN Magnesium Nitride   
185 MgN Magnesium Nitride   
186 BP Boron monophosphide 3ΠC∞v
187 BP Boron monophosphide 1ΣC∞v
188 GaP Gallium monophosphide 3ΣC∞v
189 GaP Gallium monophosphide 1ΣC∞v
190 GaAs Gallium arsenide 3Π 
191 GaAs Gallium arsenide 1Σ 
192 CN Cyano radical 2ΣC∞v
193 SiP Silicon monophosphide 2ΠC∞v
194 N2 Nitrogen diatomic 1ΣgD∞h
195 N2 Nitrogen diatomic   
196 N2- nitrogen diatomic anion 2ΠgD∞h
197 PN Phosphorus mononitride 1ΣC∞v
198 HCN Hydrogen cyanide 1ΣC∞v
199 HCN+ hydrogen cyanide cation 2ΠC∞v
200 HNC+ hydrogen isocyanide cation   
201 HCP+ Phosphaethyne cation   
202 NNH+ Dinitrogen monohydride cation 1ΣC∞v
203 LiNH2 lithium amide   
204 HBNH Boranimine 1ΣC∞v
205 H2NN Isodiazene   
206 N2H2+ trans-diazene cation 2AGC2h
207 CH2NH Methanimine 1A'Cs
208 CH2NH+ Methanimine cation   
209 CHNH2 aminomethylene   
210 CHNH2+ Aminocarbene cation   
211 BH2NH2 Boranamine   
212 CH2NH2+ methyleneamine cation 1A1C2v
213 N2H4 Hydrazine 1AC2
214 CH3NH2 methyl amine 1A'Cs
215 SiH3NH2 Silane, amino   
216 N2H5+ protonated hydrazine 1A'Cs
217 BH3PH3 borane phosphine   
218 BH3NH3 borane ammonia 1A1C3v
219 CH3NH3 methyl ammonium radical 2A1C3v
220 CH3PH3+ methyl phosphine, protonated 1A1C3v
221 N2H7+ ammonia ammonium dimer   
222 LiSe Lithium monoselenide   
223 BO boron monoxide 2ΣC∞v
224 GaO Gallium monoxide 2ΣC∞v
225 GaS Gallium monosulfide   
226 CO Carbon monoxide 1ΣC∞v
227 CO- carbon monoxide anion 2ΠC∞v
228 CO+ carbon monoxide cation 2ΣC∞v
229 SiO Silicon monoxide 1ΣC∞v
230 SiS silicon monosulfide 1ΣC∞v
231 CSe Carbon monoselenide 1ΣC∞v
232 GeO Germanium monoxide 1ΣC∞v
233 GeO+ Germanium monoxide cation 2ΣC∞v
234 GeS Germanium monosulfide 1ΣC∞v
235 SiSe Silicon Monoselenide   
236 SiSe+ Silicon Monoselenide cation   
237 GeSe Germanium monoselenide   
238 NO Nitric oxide 2ΠC∞v
239 NO- nitric oxide anion 3ΣC∞v
240 NO+ nitric oxide cation 1ΣC∞v
241 NS Mononitrogen monosulfide 2ΠC∞v
242 PO Phosphorus monoxide 2ΠC∞v
243 PS phosphorus sulfide 2ΣC∞v
244 NSe Nitrogen monoselenide 2ΠC∞v
245 AsS Arsenic monosulfide 2ΠC∞v
246 PSe Phosphorus monoselenide 2ΠC∞v
247 AsSe Arsenic monoselenide 2ΠC∞v
248 O2 Oxygen diatomic 3ΣgD∞h
249 O2- oxygen diatomic anion 2ΠD∞h
250 O2-- dioxygen dianion   
251 SO Sulfur monoxide 3ΣC∞v
252 SO Sulfur monoxide 1ΣC∞v
253 SO+ sulfur monoxide cation 2ΠC∞v
254 S2 Sulfur diatomic 3ΣgD∞h
255 SeO Selenium monoxide 3ΣC∞v
256 Se2 Selenium diatomic 3ΣgD∞h
257 LiOH lithium hydroxide 1ΣC∞v
258 BeOH beryllium monohydroxide 2A'Cs
259 HBO Boron hydride oxide 1ΣC∞v
260 HBS hydrogen boron sulfide 1ΣC∞v
261 COH Hydroxymethylidyne   
262 COH+ Carbon Monoxide, protonated 1ΣC∞v
263 HCO Formyl radical 2A'Cs
264 HCO- formyl anion 1A'Cs
265 HCO+ Formyl cation 1ΣC∞v
266 HNO Nitrosyl hydride 1A'Cs
267 HNO+ Nitrosyl hydride cation 2A'Cs
268 NOH Hydroxyimidogen 3A"Cs
269 NOH+ O-protonated nitric oxide 2A'Cs
270 HO2+ Hydroperoxy cation 3A"Cs
271 HSO+ Sulfur Monoxide, S-protonated   
272 SOH Sulfur Hydroxide   
273 SOH+ Sulfur Monoxide, protonated   
274 H2CO Formaldehyde 1A1C2v
275 H2CO- formaldehyde anion 2A'Cs
276 H2CO- formaldehyde anion   
277 H2CO+ formaldehyde cation 2B2C2v
278 H2CS Thioformaldehyde 1A1C2v
279 H2CS- thioformaldehyde anion   
280 H2CS- thioformaldehyde anion   
281 H2CS+ thioformaldehyde cation 2B2C2v
282 H2CSe Selenoformaldehyde   
283 H2NO nitroxide 2B1C2v
284 H2NO nitroxide 2A'Cs
285 H2O2 Hydrogen peroxide 1AC2
286 H2O2 Hydrogen peroxide 1AgC2h
287 H2OO water oxide   
288 HOSH hydrogen thioperoxide   
289 H2S2 Disulfane 1AC2
290 H2S2+ hydrogen disulfide cation 2BgC2h
291 H2Se2 hydrogen diselenide   
292 CH2OH+ hydroxymethyl cation 1A'Cs
293 CH3O- methoxy anion 1A1C3v
294 CH3O+ Methoxy cation 3A1C3v
295 H2CSH+ Thioformaldehyde, protonated 1A'Cs
296 NH2OH hydroxylamine 1A'Cs
297 NH2OH+ Hydroxylamine cation   
298 NH2SH Thiohydroxylamine   
299 CH3OH Methyl alcohol 1A'Cs
300 CH3OH+ Methyl alcohol cation 2A"Cs
301 CH3SH Methanethiol 1A'Cs
302 CH3SH+ Methanethiol cation 2A"Cs
303 SiH3OH silanol   
304 NH2OH2+ protonated hydroxylamine   
305 NH3OH+ N-protonated hydroxylamine   
306 H2OH2O water dimer 1A'Cs
307 H5O2+ Dihydroxonium ion 1AC2
308 LiF lithium fluoride 1ΣC∞v
309 LiCl lithium chloride 1ΣC∞v
310 NaF+ sodium fluoride cation 2ΣC∞v
311 LiBr Lithium Bromide 1ΣC∞v
312 LiF+ lithium fluoride cation 2ΠC∞v
313 ZnF Zinc monofluoride 2ΣC∞v
314 BF Boron monofluoride 1ΣC∞v
315 AlF Aluminum monofluoride 1Σ+C∞v
316 GaF Gallium monofluoride 1ΣC∞v
317 GaF+ Gallium monofluoride cation 2ΣC∞v
318 AlBr Aluminum monobromide   
319 GaCl Gallium monochloride 1ΣGC∞v
320 GaCl+ Gallium monochloride cation 2ΣC∞v
321 GaBr Gallium monobromide   
322 CF Fluoromethylidyne 2ΠC∞v
323 SiF silicon monofluoride 2ΠC∞v
324 SiF+ silicon monofluoride cation 1ΣC∞v
325 SiCl Clorosilylidyne 2ΠC∞v
326 CBr Carbon monobromide 2ΠC∞v
327 GeF Germanium monofluoride 2ΠC∞v
328 GeF+ Germanium monofluoride cation 1ΣC∞v
329 GeCl Germanium monochloride 2ΠC∞v
330 GeCl+ Germanium monochloride cation   
331 SiBr Silicon monobromide 2ΠC∞v
332 SiBr+ Silicon monobromide cation   
333 NCl nitrogen monochloride 3ΣC∞v
334 AsCl Arsenic monochloride 3ΣC∞v
335 PBr Phosphorus monobromide   
336 FO Oxygen monofluoride 2ΠC∞v
337 ClO Monochlorine monoxide 2ΠC∞v
338 ClO+ chlorine monoxide cation 3ΣC∞v
339 SF Monosulfur monofluoride 2ΠC∞v
340 SF+ sulfur monofluoride cation 3ΣC∞v
341 SCl+ sulfur monochloride cation 3ΣgC∞v
342 BrO Bromine monoxide 2ΠC∞v
343 BrO+ Bromine monoxide cation   
344 SBr Sulfur monobromide radical   
345 SBr+ Sulfur monobromide cation   
346 SeCl Selenium monochloride 2ΠC∞v
347 SeBr Selenium monobromide   
348 BrCl Bromine monochloride 1ΣC∞v
349 F2 Fluorine diatomic 1ΣgD∞h
350 F2- flourine diatomic anion 2ΣuD∞h
351 F2+ flourine diatomic cation 2ΠgD∞h
352 ClF Chlorine monofluoride 1Σ+C∞v
353 ClF+ clorine monofluoride cation 2ΠC∞v
354 Cl2+ chlorine diatomic cation 2ΠgD∞h
355 BrF Bromine monofluoride 1ΣC∞v
356 Br2 Bromine diatomic 1ΣgD∞h
357 Br2- bromine diatomic anion 2ΣuD∞h
358 Br2+ bromine diatomic cation 2ΠgD∞h
359 HCF Fluoromethylene 1A'Cs
360 HCF Fluoromethylene 3A"Cs
361 HSiF fluorosilylene   
362 HSiCl Chlorosilylene   
363 HSiBr monobromosilylene   
364 HOF Hypofluorous acid 1A'Cs
365 HOCl hypochlorous acid 1A'Cs
366 HOCl+ hypochlorous acid cation   
367 F2H+ Fluorine, protonated 1A'Cs
368 ClFH+ Chlorine fluoride, F-protonated   
369 FClH+ Chlorine fluoride, Cl-protonated   
370 Cl2H+ Chlorine, protonated 1A'Cs
371 CH2Br bromomethyl radical   
372 CH2F fluoromethyl radical 2ACs
373 CH2F+ fluoromethyl cation   
374 CH2Cl+ chloromethyl cation   
375 CH2Cl chloromethyl radical 2A'Cs
376 CH2Cl chloromethyl radical 2B1C2v
377 NH2Cl chloramine 1A'Cs
378 CH3F+ methyl fluoride cation   
379 CH3F Methyl fluoride 1A1C3v
380 CH3Cl Methyl chloride 1A1C3v
381 SiH3F monofluorosilane 1A1C3v
382 SiH3Cl chlorosilane 1A1C1
383 CH3Br methyl bromide 1A1C3v
384 GeH3F monofluorogermane   
385 GeH3Cl monochlorogermane   
386 NH3Cl+ protonated monochloroammonia   
387 CH3ClH+ methyl chloride, protonated   
388 NH4Cl Ammonium chloride   
389 LiNe+ Lithium Neon cation   
390 Ar2 Argon diatomic 1SgD∞h
391 Ar2+ Argon diatomic cation 2ΣuD∞h
392 C3 carbon trimer 1ΣgD∞h
393 C3 carbon trimer 1A1C2v
394 SiC2 Silicon dicarbide   
395 C3H4 cyclopropene 1A1C2v
396 CH2CCH2 allene 1A1D2d
397 CH3CCH propyne 1A'C3v
398 C3H6 Cyclopropane 1A1'D3h
399 CH2CHCH3 Propene 1A'Cs
400 C3H7 n-Propyl radical 2A"C1
401 C3H7+ cyclopropane, protonated   
402 CH3CHCH3 Isopropyl radical 2AC2
403 CH3CHCH3+ Isopropyl cation 1AC2
404 C3H8 Propane 1A1C2v
405 Si3H8 trisilane   
406 LiCN lithium cyanide 1ΣC*V LiCN
407 ZnCN Zinc monocyanide 2ΣC∞v
408 ZnNC Zinc isocyanide 2ΣC∞v
409 AlCN Aluminum monocyanide   
410 AlNC Aluminum isocyanide   
411 CNN Diazocarbene   
412 N3 azide radical 2ΠgD∞h
413 N3+ azide cation 3ΣgD∞h
414 N3+ azide cation 3ΣC∞v
415 HN3 hydrogen azide 1A'Cs
416 HN3+ Hydrazoic acid cation   
417 HNCNH diiminomethane 1AC2
418 HNNNH+ 1,2-Triazadienium   
419 NH2NN+ hydrazoic acid, protonated   
420 CH3CN Acetonitrile 1A1C3v
421 HCNCH2+ 2H-Azirine cation   
422 HNCNH2+ diiminomethane, protonated 1A'Cs
423 NH2CNH+ cyanamide, cn protonated   
424 NH3CN+ cyanamide, amine protonated   
425 C2H6N+ aziridine, protonated 1A1C2v
426 CH3CH2NH2 Ethylamine   
427 Li2O dilithium oxide 1ΣgD∞h
428 Na2O disodium monoxide 1ΣgLinear
429 Na2O disodium monoxide 1A1C2v
430 Na2S Sodium sulfide   
431 Na2S Sodium sulfide   
432 LiO2 Lithium dioxide   
433 NaO2 Sodium superoxide   
434 NCO isocyanato radical 2ΠC∞v
435 N2O Nitrous oxide 1ΣC∞v
436 N2O- Nitrous oxide anion 2A'Cs
437 CO2 Carbon dioxide 1ΣgD∞h
438 OCS Carbonyl sulfide 1ΣC∞v
439 CS2 Carbon disulfide 1ΣgD∞h
440 GeO2 Germanium dioxide 1ΣgD∞h
441 OCSe Carbonyl selenide 1ΣC∞v
442 SCSe Carbon sulfide selenide   
443 NO2 Nitrogen dioxide 2A1C2v
444 NO2+ Nitrogen dioxide cation 1ΣGD∞h
445 NSO sulfinyl amidogen   
446 SNO Nitrogen oxide sulfide   
447 O3 Ozone 1A1Cs
448 SO2 Sulfur dioxide 1A1C2v
449 SSO Disulfur monoxide 1A'Cs
450 S3 Sulfur trimer 1A1C2v
451 S3 Sulfur trimer   
452 SeO2 Selenium dioxide 1A1C2v
453 SeO2+ Selenium dioxide cation 2A1C2v
454 HCCO ketenyl radical 2ΠC∞v
455 HCCO ketenyl radical 2A"Cs
456 HCNO fulminic acid 1ΣC∞v
457 HOCO Hydrocarboxyl radical 1A'cis
458 HOCO Hydrocarboxyl radical 1A'trans
459 O3H+ protonated ozone 1A'Cs
460 O3H+ protonated ozone   
461 C2H2O Oxirene 1A1C2v
462 CH2CO Ketene 1A1C2v
463 CH2CS Thioketene   
464 Be(OH)2 Beryllium hydroxide   
465 H2COO Dioxymethyl radical 2A'Cs
466 H2COO+ dioxymethyl cation 2A'Cs
467 HCOOH Formic acid 1A'Cs
468 HCOOH Formic acid   
469 CH2BOH hydroxy(methylene)borane 1A'Cs
470 BH3CO Borane carbonyl 1A1C3v
471 CH3BO Borane, methyloxo- 1A1C3v
472 CH2COH+ ketene, protonated   
473 CH2NOH formaldoxime 1A'Cs
474 CH3NO nitrosomethane 1A'Cs
475 CNOH3 1,2-oxaziridine 1AC1
476 HOCHNH hydroxymethylimine 1A'CS H all up
477 NHCHSH Methanimidothioic acid   
478 C2H4O Ethylene oxide 1A1C2v
479 C2H4O+ ethylene oxide cation   
480 CH3CHO Acetaldehyde 1A'Cs
481 CH3CHO+ acetaldehyde cation   
482 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
483 C2H4S Thiirane 1A1C2v
484 CH2CHSH Ethenethiol   
485 NH2CHOH+ Formamide, O-protonated   
486 HSCH2SH Methanedithiol   
487 C2H4OH+ ethylene oxide, protonated 1A'Cs
488 CH3CHOH 1-hydroxy-ethyl radical 2AC1
489 CH3CH2OH Ethanol 1A'Cs
490 CH3OCH3 Dimethyl ether 1A1C2v
491 CH3CH2SH ethanethiol 1A'Cs
492 CH3CH2SH ethanethiol 1AC1
493 CH3SCH3 Dimethyl sulfide 1A1C2v
494 CH3SCH3+ dimethyl sulfide cation   
495 CNF iso cyanogen fluoride 1ΣC∞v
496 BrCN Cyanogen bromide 1ΣC∞v
497 FBO Boron monofluoride monoxide   
498 BeBr2 Beryllium bromide   
499 BF2 Boron difluoride radical 2A1C2v
500 FNO Nitrosyl fluoride 1A'Cs
501 ClNO Nitrosyl chloride 1A'Cs
502 FNS Thionitrosyl fluoride 1A'Cs
503 FSN Thiazyl fluoride 1A'Cs
504 OPCl Phosphorus oxychloride   
505 CF2 Difluoromethylene 1A1D∞h
506 CFCl chlorofluoromethylene 1A'Cs
507 SiF2 Silicon difluoride 1A1C2v
508 GeCl2 Germanium dichloride 1A1C2v
509 FOO+ Fluorine dioxide cation   
510 OClO Chlorine dioxide 2B1D∞h
511 OClO- Chlorine dioxide anion 1A'Cs
512 ClSO Sulfur chloride oxide 2A"Cs
513 BrOO Bromine dioxide   
514 OBrO Bromine dioxide radical 2B1C2v
515 PF2 Phosphorus difluoride   
516 PF2+ Phosphorus difluoride cation   
517 FClO chlorosyl fluoride 1A'Cs
518 ClOF Chlorine hypofluorite 1A'Cs
519 SF2 sulfur difluoride 1A1C2v
520 SeF2 Selenium difluoride   
521 SeCl2 Selenium Dichloride   
522 SBr2 Sulfur dibromide   
523 SeBr2 Selenium dibromide   
524 Br3- tribromide anion   
525 SFCl Sulfur chloride fluoride   
526 HCCF Fluoroacetylene 1ΣC∞v
527 CHF2 difluoromethyl radical 2ACs
528 CHF2+ difluoromethyl cation   
529 CHFCl Chlorofluoromethyl radical   
530 CHFCl+ Chlorofluoromethyl cation   
531 CHCl2+ dichloromethyl cation   
532 NHF2 difluoramine   
533 NHCl2 dichloroamine   
534 CH2F2 Methane, difluoro- 1A1C2v
535 SiH2F2 difluorosilane   
536 CH2Cl2 Methylene chloride 1A1C2v
537 CH2BrCl Methane, bromochloro- 1A'Cs
538 CH2Br2 dibromomethane 1A1C2v
539 SiH2Cl2 dichlorosilane 1A1C2v
540 CH2CHF Ethene, fluoro- 1A'Cs
541 CH2FOH fluoromethanol   
542 C2H5Br Ethyl bromide 1A'Cs
543 C4 Carbon tetramer 3ΣgD∞h
544 C4 Carbon tetramer   
545 C4H4 Tetrahedrane   
546 C4H6 1-Methylcyclopropene 1AC1
547 CH3CH2CH2CH3 Butane 1AgAnti
548 C2N2 Cyanogen 1ΣgD∞h
549 As4 Arsenic tetramer 1A1Td
550 HCCCN+ Cyanoacetylene cation 2ΠC∞v
551 H2CNCN cyanamide, methylene   
552 HNCCNH Ethenediimine   
553 C2H5CN ethyl cyanide 1A'Cs
554 C4H6 Bicyclo[1.1.0]butane 1A1C2v
555 CH7N3 triaminomethane   
556 C3O Tricarbon monoxide 1ΣC∞v
557 ONNO NO dimer 1Agtrans C2H
558 ONNO NO dimer 1A1cis C2V
559 S2N2 Disulfur dinitride 1AGD2h
560 NO3- nitrate anion 1A1'D3h
561 SO3 Sulfur trioxide 1A1'D3h
562 SO3-- Sulfate dianion   
563 S4 Sulfur tetramer   
564 S4 Sulfur tetramer   
565 S4 Sulfur tetramer   
566 HNO3 Nitric acid 1A'Cs
567 C3H2O Propadienal   
568 C3H2O Propadienal   
569 C2H2O2 Ethanedial 1AgC2h
570 C2H3NO Nitrosoethylene   
571 CH3NCO methylisocyante   
572 CH3NO2 Methane, nitro- 1A'Cs
573 H3AlO3 Aluminum hydroxide   
574 CH2CHCHO Acrolein 1A'Cs
575 CH2CHCHO Acrolein   
576 NH2CONH2 Urea 1A1C2v
577 CH3CH2CHO Propanal 1A'Cs
578 CH3COCH3 Acetone 1A1C2v
579 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
580 Li2F2 Lithium fluoride dimer   
581 CF2O Carbonic difluoride 1A1C2v
582 CF2O+ Carbonic difluoride cation   
583 BF3+ boron trifluoride cation   
584 BCl3 Borane, trichloro- 1A1'D3h
585 BCl3+ Boron Trichloride cation   
586 GaF3 Gallium trifluoride 1A1'D3h
587 CF2Cl difluorochloromethyl radical   
588 SiF3+ Silicon trifluoride cation 1A1'D3h
589 CFCl2 dichlorofluoromethyl radical   
590 ClO2F Chloryl fluoride 1A'Cs
591 SSCl2 Thiothionyl chloride   
592 NF3 Nitrogen trifluoride 1A1C3v
593 NCl3 nitrogen trichloride 1A1C3v
594 NBr3 Nitrogen Tribromide 1A1C3v
595 HClO3 Chloric Acid 1A'Cs
596 HClO3 Chloric Acid 1AC1
597 CHF3 Methane, trifluoro- 1A1C3v
598 SiHF3 trifluorosilane   
599 CHCl3 Chloroform 1A1C3v
600 CHBrF2 Methane, bromodifluoro- 1A'Cs
601 CHFClBr fluorochlorobromomethane 1AC1
602 CHBrCl2 Methane, bromodichloro- 1A'Cs
603 AsF3H+ Arsenic trifluoride, protonated   
604 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
605 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
606 C2H4F2 1,2-difluoroethane 1AgC2H anti
607 C2H4F2 1,2-difluoroethane 1AC2 gauche
608 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
609 CH2CHCH2F Allyl Fluoride   
610 CH2CHCH2F Allyl Fluoride   
611 CH3CHCHF trans-1-Fluoro-1-propene   
612 CH2FCH2OH 2-fluoroethanol   
613 CH3CHFCH3 2-Fluoropropane 1A'Cs
614 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
615 B5H9 pentaborane9   
616 C5H4 pentatetraene   
617 C3O2 Carbon suboxide 1ΣGD∞h
618 B2O3 diboron trioxide   
619 B2O3 diboron trioxide   
620 C3H3NO Isoxazole 1A'Cs
621 C4H4O Furan 1A1C2
622 CH2CHSCHCH2 Divinyl sulfide   
623 CF3Cl Methane, chlorotrifluoro- 1A1C3v
624 CF2Cl2 difluorodichloromethane 1A1C2v
625 GeF4 Germanium tetrafluoride 1A1Td
626 CCl4 Carbon tetrachloride 1A1Td
627 SF4 Sulfur tetrafluoride 1A1C2v
628 CH2ClCCCl 1,3-dichloropropyne   
629 CHCl2CCH 3,3-dichloropropyne   
630 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
631 C2H2N2O Furazan   
632 C6H6 Benzene 1A1gD6h
633 N2O4 Dinitrogen tetroxide 1AgD2d
634 C3H2O3 vinylene carbonate   
635 C2H4O4 Formic acid dimer 1AGC2h
636 C5H6O 2H-Pyran   
637 C4H6O2 γ–Butyrolactone 1AC1
638 C4H8O2 Ethyl acetate 1A'Cs
639 PF5 Phosphorus pentafluoride 1A1'D3h
640 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
641 C7H7 cycloheptatrienyl radical 2A2C2v
642 C5H4O2 furfural 1A'OCCO cis
643 C5H4O2 furfural 1A'OCCO trans
644 C6H12O Oxepane   
645 SF6 Sulfur Hexafluoride 1A1GOh
646 C8H8 cubane 1A1GOh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 Li Lithium atom li  
12 Li+ Lithium atom cation li+  
13 Na Sodium atom na  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K Potassium atom k  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu Copper atom cu  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH Lithium Hydride lih  
23 LiH- lithium hydride anion lih-  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH Potassium hydride kh  
28 KH+ Potassium hydrogen cation kh+  
29 CuH Copper monohydride cuh  
30 Be Beryllium atom be  
31 Be- Beryllium atom anion be-  
32 Be+ Beryllium atom cation be+  
33 Mg Magnesium atom mg  
34 Mg- Magnesium atom anion mg-  
35 Mg+ Magnesium atom cation mg+  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH beryllium monohydride beh  
43 BeH- berylium monohydride anion beh-  
44 BeH+ beryllium monohydride cation beh+  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 BeH2 beryllium dihydride beh2  
52 CaH2 Calcium Hydride cah2  
53 ZnH2 Zinc hydride znh2  
54 B Boron atom b  
55 B- Boron atom anion b-  
56 B+ Boron atom cation b+  
57 Sc Scandium atom sc  
58 Sc+ Scandium cation sc+  
59 BH- boron monohydride anion bh-  
60 BH+ boron monohydride cation bh+  
61 AlH aluminum monohydride alh  
62 AlH- aluminum monohydride anion alh-  
63 AlH+ aluminum monohydride cation alh+  
64 ScH Scandium monohydride sch  
65 ScH+ Scandium monohydride cation sch+  
66 BH2 boron dihydride bh2  
67 BH2- boron dihydride anion bh2-  
68 BH2+ Boron dihydride cation bh2+  
69 AlH2 aluminum dihydride alh2  
70 AlH2- aluminum dihydride anion alh2-  
71 AlH2+ aluminum dihydride cation alh2+  
72 BH3 boron trihydride bh3  
73 BH3- boron trihydride anion bh3-  
74 AlH3+ aluminum trihydride cation alh3+  
75 ScH3 Scandium trihydride sch3  
76 GaH3 Gallium trihydride gah3  
77 AlH4- Aluminum tetrahydride anion alh4-  
78 C- Carbon atom anion c-  
79 C+ Carbon atom cation c+  
80 Si Silicon atom si  
81 Si+ Silicon atom cation si+  
82 Ti Titanium atom ti  
83 Ti- Titanium atom anion ti-  
84 Ti+ Titanium atom cation ti+  
85 Sn Tin atom sn  
86 Sn+ Tin cation sn+  
87 CH- methylidyne anion ch-  
88 CH+ Methylidyne cation ch+  
89 SiH- silicon monohydride anion sih-  
90 CH2 Methylene ch2  
91 CH2+ methylene cation ch2+  
92 SiH2 silicon dihydride sih2  
93 SiH2- silicon dihydride anion sih2-  
94 SiH2+ silicon dihydride cation sih2+  
95 GeH2- germylene anion geh2-  
96 CH3- methyl anion ch3-  
97 CH3+ methyl cation ch3+  
98 SiH3- Silyl anion sih3-  
99 CD4 methane-d4 cd4  
100 CH2D2 methane-d2 ch2d2  
101 CH3D methane-d ch3d  
102 CH4- Methane anion ch4-  
103 CH4+ Methane cation ch4+  
104 CHD3 methane-d3 chd3  
105 SiH4+ Silane cation sih4+  
106 SnH4 Stannane snh4  
107 N- Nitrogen atom anion n-  
108 N+ Nitrogen atom cation n+  
109 P- Phosphorus atom anion p-  
110 P+ Phosphorus atom cation p+  
111 V Vanadium atom v  
112 Sb Antimony atom sb  
113 NH Imidogen nh  
114 NH- Imidogen anion nh-  
115 NH+ imidogen cation nh+  
116 PH- phosphorus monohydride anion ph-  
117 PH+ phosphorus monohydride cation ph+  
118 AsH+ Arsenic monohydride cation ash+  
119 SbH Antimony monohydride sbh  
120 ND2 Amidogen-d2 nd2  
121 NH2- amino anion nh2-  
122 PH2 Phosphino radical ph2  
123 PH2- Phosphino anion ph2-  
124 PH2+ Phosphino cation ph2+  
125 AsH2 Arsenic dihydride ash2  
126 AsH2+ Arsenic dihydride cation ash2+  
127 ND3 Ammonia-d3 nd3  
128 NH3+ ammonia cation nh3+  
129 SbH3 Stibine sbh3  
130 O- Oxygen atom anion o-  
131 O+ Oxygen atom cation o+  
132 Cr Chromium atom cr  
133 Te Tellurium atom te  
134 Te+ Tellurium atom cation te+  
135 DO Hydroxyl-d od  
136 DS Mercapto-d ds  
137 HS Mercapto radical hs  
138 TeH Telluryl radical teh  
139 D2O Deuterium oxide d2o  
140 D2S Hydrogen sulfide-d2 d2s  
141 H2S- Hydrogen sulfide anion h2s-  
142 H2Te Hydrogen Telluride h2te  
143 Mn Manganese atom mn  
144 I Iodine atom iodine  
145 I- Iodine atom anion iodine-  
146 I+ Iodine atom cation iodine+  
147 DF Hydrofluoric acid-d df  
148 DCl Hydrochloric acid-d dcl  
149 HI Hydrogen iodide hi  
150 HI+ Hydrogen iodide cation hi+  
151 H2F+ dihydrogen fluoride cation h2f+  
152 H2I+ Iodonium h2i+  
153 Ne Neon atom ne  
154 Ne- Neon atom anion ne-  
155 Ne+ Neon atom cation ne+  
156 Ar Argon atom ar  
157 Ar- Argon atom anion ar-  
158 Ar+ Argon atom cation ar+  
159 Fe Iron atom fe  
160 Xe Xenon atom xe  
161 NeH neon hydrogen neh  
162 NeH+ neon hydrogen cation neh+  
163 XeH+ Xenon, protonated xeh+  
164 Co Cobalt atom cobalt  
165 Ni Nickel atom ni  
166 Li2 Lithium diatomic li2  
167 Li2- lithium diatomic anion li2-  
168 Li2+ lithium diatomic cation li2+  
169 NaLi- lithium sodium anion lina-  
170 NaLi+ lithium sodium cation lina+  
171 LiK Lithium Potassium lik  
172 NaK Sodium Potassium nak  
173 NaK+ Sodium Potassium diatomic cation nak+  
174 K2 Potassium diatomic k2  
175 Cu2 Copper diatomic cu2  
176 LiBe Lithium Beryllium libe  
177 LiMg Lithium magnesium limg  
178 NaBe Sodium Beryllium nabe  
179 NaMg Sodium Magnesium namg  
180 Be2 Beryllium diatomic be2  
181 Be2- Beryllium diatomic anion be2-  
182 Be2+ Beryllium diatomic cation be2+  
183 Mg2 Magnesium diatomic mg2  
184 Mg2- magnesium diatomic anion mg2-  
185 Mg2+ magnesium diatomic cation mg2+  
186 Ca2 Calcium diatomic ca2  
187 LiB Lithium boride lib  
188 BeB Beryllium monoboride beb  
189 B2 Boron diatomic b2  
190 B2- Boron diatomic anion b2-  
191 B2+ Boron diatomic cation b2+  
192 Al2 Aluminum diatomic al2  
193 Al2- aluminum diatomic anion al2-  
194 Al2+ aluminum diatomic cation al2+  
195 Ga2 Gallium diatomic ga2  
196 LiBH4 Lithium borohydride libh4  
197 Al2H6 dialane al2h6  
198 Ga2H6 digallane ga2h6  
199 LiC Lithium Carbide lic  
200 BeC Beryllium Carbide bec  
201 CaC Calcium monocarbide cac  
202 BC boron monocarbide bc  
203 BC- boron monocarbide anion bc-  
204 BC+ boron monocarbide cation bc+  
205 AlC Aluminum carbide alc  
206 C2 Carbon diatomic c2  
207 C2- carbon diatomic anion c2-  
208 C2+ carbon diatomic cation c2+  
209 SiC silicon monocarbide sic  
210 SiC- silicon monocarbide anion sic-  
211 SiC+ silicon monocarbide cation sic+  
212 Si2 Silicon diatomic si2  
213 Si2- silcon diatomic anion si2-  
214 Si2+ silcon diatomic cation si2+  
215 Ge2 Germanium diatomic ge2  
216 C2H+ Ethynyl cation c2h+  
217 ZnCH2 Zinc methylene znch2  
218 CCH2 vinylidene vinylidene  
219 CuCH3 monomethyl copper cuch3  
220 ZnCH3 Zinc monomethyl znch3  
221 C2H4- Ethylene anion c2h4-  
222 CH3CH methylmethylene ch3ch  
223 CH2SiH2 silaethylene ch2sih2  
224 C2H5- Ethyl anion c2h5-  
225 C2H5+ Ethyl cation c2h5+  
226 C2H6+ ethane cation c2h6+  
227 CH3SiH3 methyl silane ch3sih3  
228 GeH3CH3 methyl germane geh3ch3  
229 C2H7+ Ethane, protonated c2h7+  
230 LiN+ Lithium Nitride cation lin+  
231 BeN Beryllium mononitride ben  
232 BeN- Beryllium mononitride anion ben-  
233 BeN+ Beryllium mononitride cation ben+  
234 BN- boron nitride anion bn-  
235 AlN- aluminum mononitride anion aln-  
236 AlN+ aluminum mononitride cation aln+  
237 AlP Aluminum monophosphide alp  
238 GaN Gallium mononitride gan  
239 BN boron nitride bn  
240 BN+ boron nitride cation bn+  
241 AlN Aluminum nitride aln  
242 CN- cyanide anion cn-  
243 CN+ Cyano cation cn+  
244 CP Carbon monophosphide cp  
245 CP- carbon monophosphide anion cp-  
246 CP+ carbon monophosphide cation cp+  
247 SiN Silicon nitride sin  
248 SiN- silicon mononitride anion sin-  
249 SiN+ silicon mononitride cation sin+  
250 SiP- Silicon monophosphide anion sip-  
251 SiP+ Silicon monophosphide cation sip+  
252 TiN Titanium mononitride tin  
253 N2+ diatomic nitrogen cation n2+  
254 PN- phosphorus nitride anion pn-  
255 PN+ phosphorus nitride cation pn+  
256 P2 Phosphorus diatomic p2  
257 P2- phosphorus diatomic anion p2-  
258 P2+ phosphorus diatomic cation p2+  
259 AsN Arsenic mononitride asn  
260 AsP Arsenic monophosphide asp  
261 SbN Antimony nitride sbn  
262 As2 Arsenic diatomic as2  
263 HNB hydrogen nitrogen boron hnb  
264 HNC hydrogen isocyanide hnc  
265 HCN- Hydrogen cyanide anion hcn-  
266 HCP Phosphaethyne hcp  
267 NNH Dinitrogen monohydride nnh  
268 HPO Hydrogen phosphorus oxide hpo  
269 HPO+ Hydrogen phosphorus oxide cation hpo+  
270 CNH2 Aminomethylidyne radical cnh2  
271 CNH2+ N-protonated hydrogen isocyanide cnh2+  
272 H2CN Dihydrogen cyanide radical h2cn  
273 H2CN+ hydrocyanonium cation h2cn+  
274 HCNH methyleneazane hcnh  
275 HCNH+ N-protonated HCN hcnh+  
276 N2H2 (E)-diazene n2h2  
277 N2H2 (Z)-Diazene n2h2z  
278 CH2PH Phosphaethene ch3p  
279 N2H4+ hydrazine cation n2h4+  
280 P2H4 Diphosphine p2h4  
281 CH3NH2+ methyl amine cation ch3nh2+  
282 CH3PH2 Methyl phosphine ch3ph2  
283 CH3NH3+ protonated methylamine ch3nh3+  
284 NH3NH3 Ammonia Dimer nh3nh3  
285 LiO lithium oxide lio  
286 LiO- lithium oxide anion lio-  
287 LiO+ lithium oxide cation lio+  
288 LiS Lithium monosulfide lis  
289 LiS+ Lithium sulfide cation lis+  
290 NaO sodium monoxide nao  
291 NaO- sodium oxide anion nao-  
292 NaO+ sodium oxide cation nao+  
293 KO Potassium monoxide ko  
294 KO+ Potassium monoxide cation ko+  
295 NaS Sodium sulfide nas  
296 CuO Copper Monoxide cuo  
297 BeO beryllium oxide beo  
298 BeO- Beryllium monoxide anion beo-  
299 BeO+ Beryllium monoxide cation beo+  
300 BeS beryllium sulfide bes  
301 MgO magnesium oxide mgo  
302 MgO- magnesium oxide anion mgo-  
303 MgO+ magnesium oxide cation mgo+  
304 CaO Calcium monoxide cao  
305 MgS magnesium sulfide mgs  
306 MgS- magnesium sulfide anion mgs-  
307 MgS+ magnesium sulfide cation mgs+  
308 CaS Calcium sulfide cas  
309 ZnO zinc monoxide zno  
310 ZnS Zinc sulfide zns  
311 BeS- Beryllium monosulfide anion bes-  
312 BeS+ Beryllium monosulfide cation bes+  
313 BO- boron monoxide anion bo-  
314 AlO Aluminum monoxide alo  
315 AlO- Aluminum monoxide anion alo-  
316 AlO+ aluminum monoxide cation alo+  
317 BS boron sulfide bs  
318 BS- boron monosulfide anion bs-  
319 BS+ boron monosulfide cation bs+  
320 AlS Aluminum sulfide als  
321 AlS- aluminum monosulfide anion als-  
322 AlS+ aluminum monosulfide cation als+  
323 ScO Scandium monoxide sco  
324 BO+ boron monoxide cation bo+  
325 CS carbon monosulfide cs  
326 CS- carbon monosulfide anion cs-  
327 CS+ carbon monosulfide cation cs+  
328 SiO- silicon monoxide anion sio-  
329 SiO+ silicon monoxide cation sio+  
330 SiS- silicon monosulfide anion sis-  
331 SiS+ silicon monosulfide cation sis+  
332 TiO Titanium monoxide tio  
333 CSe- Carbon monoselenide anion cse-  
334 CSe+ Carbon monoselenide cation cse+  
335 NS- nitrogen sulfide anion ns-  
336 NS+ nitrogen sulfide cation ns+  
337 PO- phosphorus monoxide anion po-  
338 PO+ phosphorus monoxide cation po+  
339 PS- phosphorus monosulfide anion ps-  
340 PS+ phosphorus monosulfide cation ps+  
341 VO Vanadium monoxide vo  
342 AsO Arsenic monoxide aso  
343 O2+ diatomic oxygen cation o2+  
344 SO- sulfur monoxide anion so-  
345 S2- sulfur diatomic anion s2-  
346 S2+ sulfur diatomic cation s2+  
347 SeO- selenium monoxide anion seo-  
348 SeO+ selenium monoxide cation seo+  
349 SeS Selenium monosulfide ses  
350 SeS- selenium monosulfide anion ses-  
351 SeS+ selenium monosulfide cation ses+  
352 TeO Tellurium monoxide teo  
353 Se2- selenium diatomic anion se2-  
354 Se2+ selenium diatomic cation se2+  
355 Te2 Tellurium diatomic te2  
356 NaOH sodium hydroxide naoh  
357 KOH Potassium hydroxide koh  
358 MgOH magnesium hydroxide mgoh  
359 CaOH Calcium monohydroxide caoh  
360 HCS Thioformyl radical hcs  
361 HCS- Thioformyl anion hcs-  
362 HCS+ Thioformyl cation hcs+  
363 HNO- Nitrosyl hydride anion hno-  
364 HNS Sulfur imide hns  
365 HNS- Sulfur imide anion hns-  
366 HO2 Hydroperoxy radical ho2  
367 HO2- Hydroperoxy anion ho2-  
368 HS2 Thiosulfeno radical hs2  
369 HOCH hydroxycarbene hoch  
370 H2O2+ Hydrogen peroxide cation h2o2+  
371 CH2OH Hydroxymethyl radical ch2oh  
372 CH3O Methoxy radical ch3o  
373 CH3S thiomethoxy ch3s  
374 NH3O Ammonia Oxide nh3o  
375 H2POH Phosphinous acid h2poh  
376 H3PO Phosphine oxide h3po  
377 NH3S sulfidoazane nh3s  
378 H3O2+ hydrogen peroxide, protonated h3o2+  
379 CH3OH- Methyl alcohol anion ch3oh-  
380 CH3SeH Methane selenol ch3seh  
381 CH3OH2+ Methanol, protonated ch3oh2+  
382 CH3SH2+ protonated methylsulfide ch3sh2+  
383 H2ONH3 Water Ammonia Dimer h2onh3  
384 LiCl- lithium chloride anion licl-  
385 LiCl+ lithium chloride cation licl+  
386 NaF sodium fluoride naf  
387 NaF- sodium fluoride anion naf-  
388 KF Potassium Fluoride kf  
389 NaCl Sodium Chloride nacl  
390 NaCl- sodium chloride anion nacl-  
391 NaCl+ sodium chloride cation nacl+  
392 KCl Potassium Chloride kcl  
393 CuF Copper monofluoride cuf  
394 LiBr- lithium bromide anion libr-  
395 LiBr+ lithium bromide cation libr+  
396 CuCl Copper monochloride cucl  
397 NaBr Sodium Bromide nabr  
398 NaBr- sodium bromide anion nabr-  
399 NaBr+ sodium bromide cation nabr+  
400 KBr Potassium Bromide kbr  
401 LiI Lithium Iodide lii  
402 NaI Sodium Iodide nai  
403 KI Potassium Iodide ki  
404 LiF- lithium fluoride anion lif-  
405 BeF Beryllium monofluoride bef  
406 BeF- Beryllium monofluoride anion bef-  
407 BeF+ Beryllium monofluoride cation bef+  
408 BeCl beryllium monochloride becl  
409 MgF Magnesium monofluoride mgf  
410 MgF- magnesium fluoride anion mgf-  
411 MgF+ magnesium fluoride cation mgf+  
412 CaF Calcium monofluoride caf  
413 MgCl magnesium monochloride mgcl  
414 MgCl- magnesium monochloride anion mgcl-  
415 MgCl+ magnesium monochloride cation mgcl+  
416 CaCl calcium monochloride cacl  
417 TiCl Titanium Monochloride ticl  
418 ZnF- Zinc monofluoride anion znf-  
419 ZnF+ Zinc monofluoride cation znf+  
420 ZnCl Zinc monochloride zncl  
421 CaBr Calcium monobromide cabr  
422 BeCl- beryllium monochloride anion becl-  
423 BeCl+ beryllium monochloride cation becl+  
424 BF- Boron monofluoride anion bf-  
425 BF+ Boron monofluoride cation bf+  
426 AlF- Aluminum monofluoride anion alf-  
427 AlF+ Aluminum monofluoride cation alf+  
428 BCl boron monochloride bcl  
429 BCl- boron monochloride anion bcl-  
430 BCl+ boron monochloride cation bcl+  
431 AlCl Aluminum monochloride alcl  
432 AlCl- aluminum monochloride anion alcl-  
433 AlCl+ aluminum monochloride cation alcl+  
434 ScF Scandium monofluoride scf  
435 BBr Boron monobromide bbr  
436 AlI Aluminum monoiodide ali  
437 CF- carbon monofluoride anion cf-  
438 CF+ carbon monofluoride cation cf+  
439 CCl carbon monochloride ccl  
440 CCl- carbon monochloride anion ccl-  
441 CCl+ carbon monochloride cation ccl+  
442 SiF- silicon monofluoride anion sif-  
443 SiCl- silicon monochloride anion sicl-  
444 SiCl+ silicon monochloride cation sicl+  
445 NF nitrogen fluoride nf  
446 NF- nitrogen monofluorine anion nf-  
447 NF+ nitrogen monofluoirde cation nf+  
448 NCl- nitrogen monochloride anion ncl-  
449 NCl+ nitrogen monochloride cation ncl+  
450 PF phosphorus monofluoride pf  
451 PF- phosphorus monofluoride anion pf-  
452 PF+ phosphorus monofluoride cation pf+  
453 PCl phosphorus chloride pcl  
454 PCl- phosphorus monochloride anion pcl-  
455 PCl+ phosphorus monochloride cation pcl+  
456 AsF Arsenic monofluoride asf  
457 NBr nitrogen monobromide nbr  
458 SbF Antimony monofluoride sbf  
459 SbCl Antimony monochloride sbcl  
460 FO- flourine oxide anion fo-  
461 FO+ fluorine monoxide cation fo+  
462 ClO- chlorine monoxide anion clo-  
463 SF- sulfur monofluoride anion sf-  
464 SCl sulfur monochloride scl  
465 SCl- sulfur monochloride anion scl-  
466 BrO- Bromine monoxide anion bro-  
467 SeF Selenium monofluoride sef  
468 IO Iodine monoxide io  
469 ClF- clorine monofluoride anion clf-  
470 Cl2 Chlorine diatomic cl2  
471 Cl2- chlorine diatomic anion cl2-  
472 BrF- bromine fluoride anion brf-  
473 BrF+ bromine fluoride cation brf+  
474 BrCl- bromine chloride anion brcl-  
475 BrCl+ bromine chloride cation brcl+  
476 IF Iodine monofluoride if  
477 ICl Iodine monochloride icl  
478 IBr Iodine monobromide ibr  
479 I2 Iodine diatomic i2  
480 I2+ Iodine diatomic cation i2+  
481 HCCl Chloromethylene hccl  
482 CHBr bromomethylene chbr  
483 DOCl Hypochlorous acid-d docl  
484 HOBr Hypobromous acid hobr  
485 HOBr+ Hypobromous acid cation hobr+  
486 HOI Hypoiodous acid hoi  
487 FHF Hydrogen difluoride fhf  
488 FHF- Hydrogen difluoride anion fhf-  
489 NH2F monofluoroamine nh2f  
490 H2F2 Hydrogen fluoride dimer h2f2  
491 CD3F methylfluoride-d3 cd3f  
492 CD3Cl methyl chloride d3 cd3cl  
493 CH3Cl+ Methyl chloride cation ch3cl+  
494 SiH3Br bromosilane sih3br  
495 CH3I methyl iodide ch3i  
496 SiH3I Silyl Iodide sih3i  
497 Ne2 Neon diatomic ne2  
498 Ne2+ Neon diatomic cation ne2+  
499 Li3 Lithium trimer li3  
500 Li3+ Lithium trimer cation li3+  
501 C3+ carbon trimer cation c3+  
502 C3H3 cyclopropenyl radical cpr  
503 C3H3 Propargyl radical propargyl  
504 C3H3- Propargyl anion c3h3-  
505 C3H3+ cyclopropenyl cation cpr+  
506 C3H3+ Propargyl cation c3h3+  
507 C3H5 Allyl radical allyl  
508 C3H5+ Allyl cation allyl+  
509 CH3CHCH 1-propenyl radical ch3chch  
510 Zn(CH3)2 dimethyl zinc dmz  
511 SiH2(CH3)2 dimethylsilane dms  
512 NaCN Sodium Cyanide nacn  
513 KCN Potassium cyanide kcn  
514 CuCN Copper cyanide cucn  
515 CN2 3H-Diazirin-3-ylidene cn2  
516 NCN Cyanoimidogen ncn  
517 N3- azide anion n3-  
518 HCCN cyanomethylene hccn  
519 HCNN diazomethyl radical hcnn  
520 CH2N2 diazirine ch2n2  
521 CH2NN diazomethane ch2nn  
522 NH2CN cyanamide cyanamide  
523 CH3CN- acetonitrile anion ch3cn-  
524 CH3CN+ Acetonitrile cation ch3cn+  
525 CH3NC methyl isocyanide ch3nc  
526 CHNCH2 2H-Azirine c157164  
527 CHNHCH 1H-Azirine chnhch  
528 H2CCNH Ethenimine ch2cnh  
529 H2CNCH methyleneaminomethylene ch2nch  
530 HCCNH2 Ethynamine hccnh2  
531 NCNH3+ Cyanamide, protonated ncnh3+  
532 CH2CHNH vinylazine ch2chnh  
533 CH3CHN methylmethaniminyl radical ch3chn  
534 NHCHNH2 aminomethanimine cn2h4  
535 C2H5N Aziridine c2h5n  
536 CH2CHNH2 aminoethene aminoethene  
537 CH2NCH3 N-methylmethanimine nmm  
538 CH3CHNH ethanimine ethanimine  
539 NH2BHNH2 diaminoborane nh2bhnh2  
540 C2H5NH+ Protonated Aziridine c2h5nh+  
541 NH2CH2NH2 diaminomethane nh2ch2nh2  
542 CH3NHCH3 Dimethylamine ch3nhch3  
543 CH3PHCH3 dimethylphosphine ch3phch3  
544 NH2CH2NH3+ diaminoethane, protonated pdam  
545 (CH3)2NH2+ dimethylammonium cation dmam  
546 CH3CH2NH3+ ethylamine, protonated pea  
547 Li2O+ dilithium oxide cation li2o+  
548 Li2S dilithium sulfide li2s  
549 CCO Dicarbon monoxide cco  
550 CNO- fulminate cno-  
551 NCO- cyanate nco-  
552 SCN thiocyanato radical scn  
553 SCN- thiocyanide anion scn-  
554 BO2 Boron dioxide bo2  
555 BO2- Boron dioxide anion bo2-  
556 BO2+ Boron dioxide cation bo2+  
557 N2O+ Nitrous oxide cation n2o+  
558 NNS Nitrogen sulfide nns  
559 PPO Phosphorus oxide phosphide ppo  
560 CO2- Carbon dioxide anion co2-  
561 CO2+ Carbon dioxide cation co2+  
562 OCS+ Carbonyl sulfide cation cos+  
563 SiO2 silicon dioxide sio2  
564 CS2- Carbon disulfide anion cs2-  
565 CS2+ Carbon disulfide cation cs2+  
566 TiO2 Titanium dioxide tio2  
567 SiS2 Silicon disulfide sis2  
568 GeS2 Germanium disulfide ges2  
569 CSe2 Carbon diselenide cse2  
570 SCTe Carbon sulfide Telluride scte  
571 NO2- Nitrogen dioxide anion no2-  
572 PO2 Phosphorus dioxide po2  
573 PO2- Phosphorus dioxide anion po2-  
574 PO2+ Phosphorus dioxide cation po2+  
575 AsO2 Aresenic dioxide aso2  
576 O3- Ozone anion o3-  
577 O3+ Ozone cation o3+  
578 SO2- Sulfur dioxide anion so2-  
579 SO2+ Sulfur dioxide cation so2+  
580 S3- Sulfur trimer anion s3-  
581 S3+ Sulfur trimer cation s3+  
582 TeO2 Tellurium Dioxide teo2  
583 CS2H+ Carbon disulfide, protonated cs2h+  
584 HNCO Isocyanic acid hnco  
585 HOCN cyanic acid hocn  
586 HNCS Isothiocyanic acid hncs  
587 HSCN thiocyanic acid hscn  
588 HCO2- formate anion hco2-  
589 HNNO nitrosoazane hnno  
590 HNNO+ Nitrous oxide, N-protonated hnno+  
591 NNOH+ Nitrous Oxide, O-protonated nnoh+  
592 HCOO formate neutral radical hcoo  
593 HOCO+ Hydrocarboxyl cation hoco+  
594 HNO2 Nitrous acid hno2  
595 HNO2+ nitrous acid cation hno2+  
596 SO2H+ protonated sulfur dioxide so2h+  
597 CH2CO+ Ketene cation ch2co+  
598 HCCOH ethynol hccoh  
599 Mg(OH)2 Magnesium dihydroxide h2mgo2  
600 NH2NO Nitrosamide nh2no  
601 CH2O2 Dioxirane diox  
602 H2O3 Hydrogen trioxide h2o3  
603 HSSSH trisulfane hsssh  
604 NaOCH3 Sodium methoxide naoch3  
605 CH2CHO Vinyloxy radical ch2cho  
606 CH3CO Acetyl radical ch3co  
607 CH3CO- Acetyl anion ch3co-  
608 CH3CO+ acetyl cation ch3co+  
609 CHONH2 formamide formamide  
610 CHSNH2 thioformamide chsnh2  
611 CH2OOH CH2OOH radical ch2ooh  
612 CH3OO methylperoxy radical ch3oo  
613 CH3OO- methylperoxy anion ch3oo-  
614 CH3OO+ methylperoxy cation ch3oo+  
615 CH2CHOH ethenol ch2choh  
616 CH3CHS Thioacetaldehyde ch3chs  
617 H2CONH2+ protonated formamide h2conh2+  
618 NH3CHO+ Formamide, N-Protonated nh3cho+  
619 CH2(OH)2 methanediol ch2o2h2  
620 CH3OOH Methyl peroxide ch3ooh  
621 CH3SSH Hydrogen methyl disulfide ch3ssh  
622 H2OH2CO water formaldehyde dimer h2oh2co  
623 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
624 CH3CH2O Ethoxy radical ethoxy  
625 CH3CHOH+ acetaldehyde, protonated ch3choh+  
626 CH3OCH2 methoxymethyl radical ch3och2  
627 NH2CH2OH aminomethanol nh2ch2oh  
628 CH3SeCH3 dimethylselenide dmse  
629 CH3OHH2O methanol water dimer ch3ohh2o  
630 H2OCH3OH water methanol dimer h2och3oh  
631 CuF2 Copper difluoride cuf2  
632 ZnF2 Zinc difluoride znf2  
633 FCN Cyanogen fluoride fcn  
634 ClCN chlorocyanogen clcn  
635 ICN Cyanogen iodide icn  
636 BeF2 Beryllium fluoride bef2  
637 MgF2 Magnesium fluoride mgf2  
638 BeCl2 Beryllium chloride becl2  
639 MgCl2 Magnesium dichloride mgcl2  
640 CaCl2 Calcium Chloride cacl2  
641 ZnCl2 Zinc dichloride zncl2  
642 CaBr2 Calcium dibromide cabr2  
643 CaF2 Calcium difluoride caf2  
644 FCO Carbonyl fluoride fco  
645 FCO+ Carbonyl fluoride cation fco+  
646 ClCO carbonyl monochloride clco  
647 BrNO Nitrosyl bromide brno  
648 INO Nitrosyl iodide ino  
649 CF2- Difluoromethylene anion cf2-  
650 CF2+ Difluoromethylene cation cf2+  
651 SiF2+ Silicon difluoride cation sif2+  
652 CCl2 dichloromethylene ccl2  
653 CCl2- dichloromethylene anion ccl2-  
654 CCl2+ dichloromethylene cation ccl2+  
655 SiCl2 Dichlorosilylene sicl2  
656 GeF2 Germanium difluoride gef2  
657 CBr2 dibromomethylene cbr2  
658 FOO Dioxygen monofluoride radical foo  
659 ClOO chloroperoxy radical cloo  
660 ClOO+ chloroperoxy cation cloo+  
661 OClO+ Chlorine dioxide cation oclo+  
662 ClS2 Sulfur chloride cls2  
663 NF2 Difluoroamino radical nf2  
664 NF2+ Difluoroamino cation nf2+  
665 F2O Difluorine monoxide f2o  
666 SF2- sulfur difluoride anion sf2-  
667 SF2+ sulfur difluoride cation sf2+  
668 Cl2O Dichlorine monoxide cl2o  
669 SCl2 Sulfur dichloride scl2  
670 BrOCl Bromine hypochlorite brocl  
671 BrOBr Bromine oxide brobr  
672 F3- trifluoride anion f3-  
673 Cl3- trichloride anion cl3-  
674 I3- triiodide i3-  
675 HCCF+ fluoroacetylene cation hccf+  
676 HCCCl Chloroacetylene hcccl  
677 HCCBr bromoacetylene hccbr  
678 HFCO formyl fluoride hfco  
679 HFCO+ formyl fluoride cation hfco+  
680 COHCl Formyl chloride cohcl  
681 COHBr Formyl bromide cohbr  
682 BHF2 Difluoroborane bhf2  
683 BHCl2 Borane, dichloro- bhcl2  
684 CHCl2 dichloromethyl radical chcl2  
685 CHBr2 dibromomethyl radical chbr2  
686 HOClO Chlorous acid hoclo  
687 CH2FCl fluorochloromethane ch2fcl  
688 CH2BrF Methane, bromofluoro- ch2fbr  
689 CH2FI fluoroiodomethane ch2fi  
690 CH2ClI chloroiodomethane ch2cli  
691 CH2BrI bromoiodomethane ch2bri  
692 CH2I2 Diiodomethane ch2i2  
693 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
694 CH2CHF+ fluoroethene cation ch2chf+  
695 C2H3Cl Ethene, chloro- ch2chcl  
696 C2H3Br vinyl bromide c2h3br  
697 C2H3I Vinyl iodide c2h3i  
698 CH3OCl methyl hypochlorite ch3ocl  
699 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
700 CHClCH3 1-chloroethyl radical chclch3  
701 C2H5F fluoroethane c2h5f  
702 CH3CH2Cl Ethyl chloride c2h5cl  
703 CH3SiFH2 fluoromethylsilane ch3sifh2  
704 C2H5I Ethyl iodide c2h5i  
705 KrF2 Krypton difluoride krf2  
706 XeF2 Xenon difluoride xef2  
707 B4H10 Tetraborane(10) b4h10  
708 C4+ Carbon tetramer cation c4+  
709 C4H2 Diacetylene c4h2  
710 C4H2+ diacetlyene cation c4h2+  
711 C2H3CCH 1-Buten-3-yne c2h3cch  
712 C4H4 cyclobutadiene cbd  
713 H2CCCCH2 Butatriene h2cccch2  
714 C4H6 Cyclobutene c822355  
715 C4H6 Methylenecyclopropane c6142730  
716 CH2CCHCH3 1,2-Butadiene butad12  
717 CH2CHCHCH2 1,3-Butadiene c106990  
718 CH3CCCH3 2-Butyne c503173  
719 CHCCH2CH3 1-Butyne c107006  
720 CH3CHCHCH2 methylallyl radical c4h7  
721 C4H8 methylcyclopropane mcp  
722 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
723 CH2CHCH2CH3 1-Butene bute1  
724 CH3CHCHCH3 2-Butene, (E)- bute2e  
725 CH3CHCHCH3 2-Butene, (Z)- bute2z  
726 B(CH3)3 trimethylborane bme3  
727 Al(CH3)3 trimethyl aluminum tma  
728 C(CH3)3 Tert-butyl radical tbutyl  
729 CH2CH(CH3)2 Isobutyl radical isobutyl  
730 CH3CHCH2CH3 2-Butyl radical butyl2  
731 CH3CH(CH3)CH3 Isobutane isobutane  
732 SiH(CH3)3 trimethylsilane trimsi  
733 Li3N trilithium nitride li3n  
734 C2N2+ Cyanogen cation c2n2+  
735 P4 Phosphorus tetramer p4  
736 HCCCN Cyanoacetylene hcccn  
737 C3H3N acrylonitrile ch2chcn  
738 C3H3N+ acrylonitrile cation ch2chcn+  
739 CH3N3 methyl azide ch3n3  
740 NH2CCNH2 Diaminoacetylene daa  
741 NH2CH2CN Aminoacetonitrile aan  
742 CH3NHN2+ methyl azide, protonated ch3nhn2+  
743 CH5N3 Guanidine guanidine  
744 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
745 H2NCHCHNH2 diaminoethylene dae  
746 CH6N3+ guanidinium ch6n3+  
747 C3H7N Cyclopropylamine cpram  
748 C3H7N Azetidine azet  
749 C4H8 cyclobutane cbutane  
750 C2H8N2 Ethylenediamine ethdiam  
751 CH3NHNHCH3 dimethyl hydrazine dmh  
752 CH3CH(NH2)CH3 2-Propanamine pram2  
753 N(CH3)3 Trimethylamine trimeam  
754 NH2CH2CH2CH3 1-Propanamine pram1  
755 P(CH3)3 trimethylphosphine tmp  
756 N(SiH3)3 trisilylamine tsa  
757 As(CH3)3 trimethyl arsine tmas  
758 (CH3)3NH+ protonated trimethyl amine ptma  
759 C3H7NH3+ n-propylamine, protonated c3h7nh2  
760 Li2O2 dilithium dioxide li2o2  
761 Na2O2 disodium dioxide na2o2  
762 K2O2 dipotassium dioxide k2o2  
763 B2O2 Diboron dioxide b2o2  
764 CO3 Carbon trioxide co3  
765 CO3-- carbonate co3--  
766 CS3-- Carbonotrithioate cs3--  
767 NO3 Nitrogen trioxide no3  
768 NO3+ nitrogen trioxide cation no3+  
769 SO3- Sulfur trioxide anion so3-  
770 SO3+ Sulfur trioxide cation so3+  
771 SeO3 selenium trioxide seo3  
772 TeO3 Tellurium trioxide teo3  
773 HCO3- bicarbonate anion hco3-  
774 HSO3 Hydroxysulfonyl radical hso3  
775 NH2NO2 nitramide nh2no2  
776 C2H2CO cyclopropenone c2h2co  
777 HCCCHO 2-propynal hcccho  
778 C2H2O2+ Ethanedial cation c2h2o2+  
779 H2CO3 Carbonic acid h2co3  
780 H2CS3 thiocarbonic acid h2cs3  
781 H2NO3+ Nitric Acid, Protonated h2no3+  
782 H2SO3 Sulfurous acid h2so3  
783 HOCH2CN cyanomethanol hoch2cn  
784 CH3COO- acetate anion ch3coo-  
785 CH3ONO Methyl nitrite ch3ono  
786 NH2COOH Carbamic acid nh2cooh  
787 H3BO3 Boric acid h3bo3  
788 H3CO3+ carbonic acid, protonated h3co3+  
789 C3H4O 2-Propyn-1-ol c107197  
790 C3H4O allenol c9000071  
791 C3H4O Cyclopropanone cpone  
792 C3H4O Methylketene c6004440  
793 NH2CONH2+ Urea cation urea+  
794 NH2CSNH2 Thiourea thiourea  
795 C2H4O2 1,3-dioxetane c2h4o2  
796 CH3COOH Acetic acid ch3cooh  
797 CH3OCHO methyl formate ch3ocho  
798 CHOCH2OH hydroxy acetaldehyde haa  
799 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
800 NH3COOH+ protonated Carbamic acid nh3cooh+  
801 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
802 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
803 HCOOHH2O Formic acid water dimer hcoohh2o  
804 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
805 CH3COCH2 Acetonyl radical ch3coch2  
806 CH2C(OH)NH2 1-amino vinyl alchohol ava  
807 CH3C(OH)=NH Ethaninidic acid eia  
808 CH3CHNOH Acetaldoxime acetaldoxime  
809 CH3CONH2 Acetamide acetamide  
810 HCONHCH3 N-methylformamide nmfa  
811 CH3CSNH2 Ethanethioamide ch3csnh2  
812 CH5N2O+ urea, N-protonated ch4n2o+  
813 H2NCOHNH2+ urea, protonated ureah+  
814 C2H5OO ethylperoxy radical c2h5oo  
815 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
816 C3H5OH Cyclopropanol cproh  
817 C3H6O 2-Propen-1-ol c107186  
818 C3H6O Acetone enol enol  
819 C3H6O Oxetane oxetane  
820 C3H6O Propylene oxide prox  
821 CH3COCH3- acetone anion ch3coch3-  
822 C3H6S Thietane thietane  
823 C3H6S Thiirane, methyl- methiirane  
824 CH3CSCH3 Thioacetone ch3csch3  
825 C2H6O2 1,2-Ethanediol ethdiol  
826 CH3OOCH3 dimethylperoxide dmp  
827 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
828 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
829 CH3COHCH3+ acetone, protonated acetoneh+  
830 HOCH2CH2NH2 monoethanolamine mea  
831 C3H7OH 1-Propanol proh  
832 CH3CHOHCH3 Isopropyl alcohol isoproh  
833 CH3OC2H5 Ethane, methoxy- etome  
834 C3H7SH 1-Propanethiol prsh  
835 CH3CHSHCH3 2-Propanethiol isoprsh  
836 CH3SCH2CH3 Ethane, (methylthio)- etsme  
837 H2OCH3OCH3 water dimethylether dimer h2och3och3  
838 Na2F2 Sodium Fluoride Dimer na2f2  
839 Na2Cl2 Disodium dichloride na2cl2  
840 C2F2 difluoroacetylene c2f2  
841 C2Cl2 dichloroacetylene c2cl2  
842 C2Cl2+ dichloroacetylene cation c2cl2+  
843 FNO2 Nitryl fluoride fno2  
844 FONO Nitrosyl hypofluorite fono  
845 ClNO2 Nitryl chloride clno2  
846 ClONO chlorine nitrite clono  
847 BrONO Bromine nitrite brono  
848 N2F2 (Z)-Difluorodiazene n2f2_z  
849 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
850 COFCl Carbonic chloride fluoride cofcl  
851 CCl2O Phosgene cl2co  
852 Cl2CS Thiophosgene cl2cs  
853 COBr2 Carbonic dibromide cobr2  
854 BF3 Borane, trifluoro- bf3  
855 BF3- Borane, trifluoro- anion bf3-  
856 AlF3 Aluminum trifluoride alf3  
857 BClF2 Chlorodifluoroborane bclf2  
858 AlF2Cl Aluminum chloride difluoride alclf2  
859 ScF3 Scandium trifluoride ScF3  
860 AlFCl2 Aluminum dichloride fluoride alcl2f  
861 AlCl3 Aluminum trichloride alcl3  
862 GaCl3 Gallium trichloride gacl3  
863 BBr3 Boron tribromide bbr3  
864 AlBr3 Aluminum Bromide albr3  
865 ClO3 Chlorine trioxide clo3  
866 ClO3- chlorate anion clo3-  
867 BrO3- Bromate anion bro3-  
868 CF3 Trifluoromethyl radical cf3  
869 CF3- Trifluoromethyl anion cf3-  
870 CF3+ Trifluoromethyl cation cf3+  
871 SiF3 Silicon trifluoride radical sif3  
872 CCl3 Trichloromethyl radical ccl3  
873 CCl3- Trichloromethyl anion ccl3-  
874 CCl3+ Trichloromethyl cation ccl3+  
875 SiCl3 trichlorosilyl radical sicl3  
876 SiCl3+ trichlorosilyl cation sicl3+  
877 CBr3 tribromomethyl radical cbr3  
878 FOOF Perfluoroperoxide foof  
879 F2SO Thionyl Fluoride f2so  
880 ClOOCl Dichlorine dioxide cloocl  
881 FSSF Difluorodisulfane fssf  
882 S2F2 Thio-thionyl fluoride s2f2  
883 SOCl2 thionyl chloride socl2  
884 SeOCl2 selenium oxychloride seocl2  
885 NF3- Nitrogen trifluoride anion nf3-  
886 NF3+ Nitrogen trifluoride cation nf3+  
887 PF3 Phosphorus trifluoride pf3  
888 AsF3 Arsenic trifluoride asf3  
889 PCl3 Phosphorus trichloride pcl3  
890 SbF3 Antimony Trifluoride sbf3  
891 AsCl3 Arsenous trichloride ascl3  
892 SbCl3 Antimony Trichloride sbcl3  
893 PBr3 Phosphorus tribromide pbr3  
894 AsBr3 Arsenic tribromide asbr3  
895 NI3 Nitrogen triiodide ni3  
896 PI3 Phosphorus triiodide pi3  
897 ClSSCl Disulfur dichloride s2cl2  
898 SF3 Sulfur trifluoride sf3  
899 ClF3 Chlorine trifluoride clf3  
900 BrF3 Bromine trifluoride brf3  
901 IF3 iodone trifluoride if3  
902 CHF2Cl difluorochloromethane chf2cl  
903 CHFCl2 fluorodichloromethane chfcl2  
904 CDCl3 trichloromethane-d cdcl3  
905 SiHCl3 Trichlorosilane sihcl3  
906 CHF2I difluoroiodomethane chf2i  
907 CHBr2F dibromofluoromethane chbr2f  
908 CHFClI fluorochloroiodomethane chfcli  
909 CHCl2I dichloroiodomethane chcl2i  
910 CHClBr2 Methane, dibromochloro- chclbr2  
911 CHBr3 bromoform chbr3  
912 CHI3 Iodoform chi3  
913 NF3H+ protonated nitrogen trifluoride nf3h+  
914 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
915 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
916 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
917 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
918 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
919 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
920 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
921 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
922 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
923 C2H2Br2 1,1-dibromoethene c2h2br2  
924 CH2FCHO Fluoroacetaldehyde ch2fcho  
925 CH3COF Acetyl fluoride ch3cof  
926 CH2ClCHO chloroacetaldehyde ch2clcho  
927 CH3COCl Acetyl Chloride ch3cocl  
928 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
929 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
930 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
931 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
932 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
933 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
934 CH2CFCH3 2-fluoropropene 2fpro  
935 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
936 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
937 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
938 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
939 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
940 CH2FCH2CH3 1-Fluoropropane prf1  
941 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
942 CH3CH2CH2Br n-propyl bromide prbr  
943 CH3CHBrCH3 i-propyl bromide iprbr  
944 C3H9O+ trimethyl oxonium cation c3h9o+  
945 C5H5 cyclopentadienyl radical c5h5  
946 C5H5- cylopentadienyl anion c5h5-  
947 C5H6 1,3-Cyclopentadiene c542927  
948 C5H6 1-Buten-3-yne, 2-methyl- c78808  
949 C5H6 3-Penten-1-yne, (E)- c2004695  
950 C5H6 3-Penten-1-yne, (Z)- c1574409  
951 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
952 C5H6 Cyclopropylacetylene c6746947  
953 C5H6 Propellane propellane  
954 C5H7 1,3-pentadienyl radical pdyl  
955 C5H7 cyclopentenyl radical cpyl  
956 C5H8 1,2-Butadiene, 3-methyl- c598254  
957 C5H8 1,2-Pentadiene c591957  
958 C5H8 1,3-Butadiene, 2-methyl- c78795  
959 C5H8 1,3-Pentadiene, (E)- c2004708  
960 C5H8 1,3-Pentadiene, (Z)- c1574410  
961 C5H8 1,4-Pentadiene c591935  
962 C5H8 1-pentyne a1pentyne  
963 C5H8 2,3-Pentadiene c591968  
964 C5H8 Bicyclo[1.1.1]pentane bcp  
965 C5H8 Cyclobutane, methylene- c1120565  
966 C5H8 Cyclopentene c142290  
967 C5H8 Ethenylcyclopropane c693867  
968 CH3CCCH2CH3 2-Pentyne 2pentyne  
969 C5H10 1-Butene, 2-methyl- c563462  
970 C5H10 2-Butene, 2-methyl- c513359  
971 C5H10 2-Pentene, (E)- c646048  
972 C5H10 2-Pentene, (Z)- c627203  
973 C5H10 Cyclopentane c287923  
974 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
975 CH2CHCH2CH2CH3 1-pentene pentene  
976 C5H11 2-Methylbut-2-yl radical c4348350  
977 C5H12 Butane, 2-methyl- buta2  
978 C5H12 Pentane pentane  
979 C5H12 Propane, 2,2-dimethyl- neopentane  
980 Si(CH3)4 tetramethylsilane tms  
981 N2O3 Dinitrogen trioxide n2o3  
982 C3H2N2 Malononitrile c3h2n2  
983 CH2N4 1H-Tetrazole 1htz  
984 C3H3N2 imidazolyl radical im  
985 C3H3N2- imidizolyl anion im-  
986 C2H3N3 1H-1,2,4-Triazole c288880  
987 C4H4N pyrrolide radical c4h4n  
988 C4H4N- pyrrolide anion c4h4n-  
989 C3H4N2 1H-Imidazole 1himidaz  
990 C3H4N2 1H-Pyrazole 1hpyraz  
991 C3H4N2 2H-Imidazole imid2h  
992 C3H4N2 4H-Imidazole imid4h  
993 C4H5N (E)-2-Butenenitrile c627269  
994 C4H5N (Z)-2-Butenenitrile c1190767  
995 C4H5N 2H-pyrrole pyrrole2  
996 C4H5N 3H-pyrrole pyrrole3  
997 C4H5N Cyclopropanecarbonitrile c5500210  
998 C4H5N Pyrrole pyrrole  
999 CH2CHCH2CN Allylcyanide ch2chch2cn  
1000 C4H6N+ pyrrole, alpha-protonated appyr  
1001 C4H6N+ pyrrole, beta-protonated bppyr  
1002 C4H6N+ pyrrole, protonated ppyr  
1003 C3H6N2 3-Aminopropionitrile c151188  
1004 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1005 CH3CH2CH2CN Butanenitrile c109740  
1006 C5H8 Bicyclo[2.1.0]pentane c185944  
1007 C5H8 Spiropentane c157404  
1008 C4H9N Cyclobutylamine cbam  
1009 C4H9N Pyrrolidine pyrrolidine  
1010 C3H10N2 1,2-Diaminopropane diampr12  
1011 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1012 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1013 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1014 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1015 NH(C2H5)2 diethylamine dea  
1016 NC4H12+ tetramethyl ammonium cation nc4h12+  
1017 C3O2+ Carbon suboxide cation c3o2+  
1018 MgCO3 Magnesium Carbonate mgco3  
1019 BeCO3 Beryllium Carbonate beco3  
1020 CaCO3 Calcium Carbonate caco3  
1021 ONONO Nitrosyl nitrite onono  
1022 PO4--- phosphate po4---  
1023 SO4-- sulfate so4--  
1024 HOONO2 peroxy nitric acid hoono2  
1025 HSO4- bisulfate anion hso4-  
1026 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1027 C3H2O2 Propiolic acid c3h2o2  
1028 CHOCOOH oxo acetic acid oaa  
1029 CHOOCHO diformyl ether choocho  
1030 H2SO4 Sulfuric acid h2so4  
1031 H2SeO4 Selenic acid h2seo4  
1032 C3H3NO Oxazole oxazole  
1033 C3H3NS Thiazole thiazole  
1034 CH3C(O)OO acetyl peroxy radical ch3coo2  
1035 CH3NO3 Methyl nitrate ch3no3  
1036 H3PO4 Phosphoric Acid h3po4  
1037 C4H4O+ Furan cation furan+  
1038 CH3COCCH 3-butyn-2-one c1423605  
1039 C4H4S Thiophene furans  
1040 C4H4Se selenophene c4h4se  
1041 C3H4O2 β–Propiolactone beta  
1042 C3H4O2 2-Propenoic acid propenoic2  
1043 C3H4O2 Methyl glyoxal megly  
1044 C3H4O2 propanedial propanedial  
1045 C3H4O2 propenalol propenalol  
1046 HOCHCCHOH allenediol aldiol  
1047 C2H4O3 1,2,3-trioxolane c2h4o3  
1048 C2H4O3 trioxolane124 triox  
1049 HOCH2COOH Hydroxyacetic acid hac  
1050 CH2CHCONH2 Acrylamide c79061  
1051 CH3OCH2CN Methoxyacetonitrile c1738369  
1052 CH5N3S Hydrazinecarbothioamide c79196  
1053 H2NCH2COOH Glycine glycine  
1054 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1055 C4H6O cis-2-butenal butenal2c  
1056 C4H6O Cyclobutanone cbutone  
1057 C4H6O Furan, 2,3-dihydro- furan23h  
1058 C4H6O Furan, 2,5-dihydro- furan25h  
1059 CH2CHOCHCH2 Vinyl ether vinylether  
1060 CHOCHCHCH3 2-Butenal butenal2  
1061 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1062 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1063 C2H6N2O Urea, methyl- c598505  
1064 C3H6O2 1,3-Dioxolane dioxolane  
1065 CH3CH2COOH Propanoic Acid propanoic  
1066 CH3COOCH3 methyl acetate aame  
1067 HCOOC2H5 Ethyl formate faee  
1068 C2H6O2S Dimethyl sulfone c67710  
1069 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1070 C3H7NO dimethylformamide dmf  
1071 C3H7NO Propanamide propanam  
1072 C2H3OC2H5 Ethene, ethoxy- c109922  
1073 C4H8O Cyclobutanol c2919235  
1074 C4H8O Furan, tetrahydro- thf  
1075 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1076 CH3COCH2CH3 2-Butanone buta2one  
1077 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1078 CHOCH2CH2CH3 Butanal butanal  
1079 C4H8S Thiophene, tetrahydro- tht  
1080 C3H8O2 1,3-Propanediol c504632  
1081 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1082 C3H8O2 Methane, dimethoxy- c109875  
1083 C3H8O2 Propylene glycol c57556  
1084 C3H8S2 1,3-Propanedithiol c109808  
1085 C4H10O 1-Butanol butanol1  
1086 C4H10O 1-Propanol, 2-methyl- c78831  
1087 C4H10O 2-Butanol, (.+/-.)- butanol2  
1088 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1089 C4H10O Ethoxy ethane etoet  
1090 C4H10O Methyl propyl ether meopr  
1091 C4H10O Propane, 2-methoxy- c598538  
1092 C4H10O+ 1-Butanol cation butanol1+  
1093 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1094 C2H5SC2H5 Diethyl sulfide etset  
1095 C4H9SH 1-Butanethiol bush  
1096 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1097 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1098 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1099 FNO3 Fluorine nitrate fno3  
1100 ClONO2 Chlorine nitrate clono2  
1101 BrONO2 Bromine nitrate brono2  
1102 TiCl4 Titanium tetrachloride ticl4  
1103 ClO4- perchlorate anion clo4-  
1104 BF4- tetrafluoroboron anion bf4-  
1105 ClFO3 Perchloryl fluoride clfo3  
1106 SO2F2 Sulfuryl fluoride so2f2  
1107 SO2Cl2 Sulfuryl chloride so2cl2  
1108 F3NO Nitrogen trifluoride oxide f3no  
1109 F3PO Phosphoryl fluoride pf3o  
1110 Cl3PO Phosphoryl chloride pcl3o  
1111 CF4 Carbon tetrafluoride cf4  
1112 SiF4 Silicon tetrafluoride sif4  
1113 TiF4 Titanium tetrafluoride tif4  
1114 CFCl3 Trichloromonofluoromethane cfcl3  
1115 CF3Br Bromotrifluoromethane cf3br  
1116 CCl4+ Carbon tetrachloride cation ccl4+  
1117 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1118 SiCl4 Silane, tetrachloro- sicl4  
1119 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1120 CF3I trifluoroiodomethane cf3i  
1121 CBrCl3 Methane, bromotrichloro- cbrcl3  
1122 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1123 GeCl4 Germanium Tetrachloride gecl4  
1124 CBr2ClF dibromochlorofluoromethane cbr2clf  
1125 CBr2Cl2 dibromodichloromethane cbr2cl2  
1126 CCl3I trichloroiodomethane ccl3i  
1127 CFBr3 fluorotribromomethane cfbr3  
1128 CFClBrI fluorochlorobromoiodomethane cfclbri  
1129 CBr3Cl tribromochloromethane cbr3cl  
1130 CF2I2 difluorodiiodomethane cf2i2  
1131 CBr4 Carbon tetrabromide cbr4  
1132 CCl2I2 dichlorodiiodomethane ccl2i2  
1133 SiBr4 Silicon tetrabromide sibr4  
1134 CBr3I tribromoiododmethane cbr3i  
1135 GeBr4 Germanium tetrabromide gebr4  
1136 CI4 tetraiodomethane ci4  
1137 SiI4 silicon tetraiodide sii4  
1138 ClOF3 Chlorine trifluoride oxide clof3  
1139 SeF4 Selenium tetrafluoride sef4  
1140 SCl4 Sulfur tetrachloride scl4  
1141 C2HF3 Trifluoroethylene c2hf3  
1142 C2HF3+ Trifluoroethylene cation c2hf3+  
1143 CHClCCl2 Trichloroethylene chclccl2  
1144 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1145 HClO4 perchloric acid hclo4  
1146 HSO3F Fluorosulfonic acid hso3f  
1147 CF3OH trifluoromethanol cf3oh  
1148 CHClCCHCl 1,3-dichloroallene chclcchcl  
1149 CHCl2CHO dichloroacetaldehyde chcl2cho  
1150 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1151 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1152 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1153 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1154 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1155 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1156 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1157 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1158 NH3BCl3 Amminetrichloroboron nh3bcl3  
1159 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1160 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1161 C3H5ClO Oxirane, (chloromethyl)- c106898  
1162 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1163 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1164 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1165 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1166 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1167 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1168 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1169 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1170 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1171 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1172 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1173 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1174 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1175 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1176 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1177 C4H9F 1-fluorobutane butaf1  
1178 CH3CHFCH2CH3 2-fluorobutane butaf2  
1179 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1180 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1181 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1182 XeF4 Xenon tetrafluoride xef4  
1183 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1184 NH3BF3 Amminetrifluoroboron nh3bf3  
1185 C6H2 hexatriyne c6h2  
1186 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1187 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1188 C6H4 Benzyne benzyne  
1189 C6H5 phenyl phenyl  
1190 C6H5- phenyl anion phenyl-  
1191 C6H6 Prismane prismane  
1192 C6H6 1,2,4,5-Hexatetraene ht1245  
1193 C6H6 2,4-Hexadiyne hexadiyne  
1194 C6H6 3,4-Dimethylenecyclobutene cb34m  
1195 C6H6 Benzvalene bv  
1196 C6H6 Dewar Benzene dewar  
1197 C6H6 Hexa-1,5-diene-3-yne hdy153  
1198 C6H6 Trimethylenecycopropane tmcp  
1199 C6H6+ Benzene cation c6h6+  
1200 C6H7+ benzene, protonated c6h7+  
1201 C6H8 (E)-hexa-1,3,5-triene c821078  
1202 C6H8 (E)-hexa-2,3,4-triene c59660650  
1203 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1204 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1205 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1206 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1207 C6H8 3-Methylenecyclopentene c930267  
1208 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1209 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1210 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1211 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1212 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1213 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1214 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1215 C6H10 1,5-Hexadiene c592427  
1216 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1217 C6H10 1-Hexyne hexyne1  
1218 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1219 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1220 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1221 C6H10 2-Hexyne c764352  
1222 C6H10 3-Hexyne hexyne3  
1223 C6H10 cyclohexene cyclohexene  
1224 C6H10 Cyclopentene, 1-methyl- c693890  
1225 C6H10 Cyclopentene, 3-methyl- c1120623  
1226 C6H10 Cyclopentene, 4-methyl- c1759815  
1227 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1228 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1229 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1230 C6H12 (E)-2-Hexene e2hexene  
1231 C6H12 (E)-3-methylpent-2-ene c616126  
1232 C6H12 (E)-hex-3-ene e3hexene  
1233 C6H12 (Z)-3-methylpent-2-ene c922623  
1234 C6H12 (Z)-hex-2-ene z2hexene  
1235 C6H12 (Z)-hex-3-ene z3hexene  
1236 C6H12 2,3-dimethylbut-1-ene c563780  
1237 C6H12 2,3-dimethyl-but-2-ene tmeet  
1238 C6H12 3-methylenepentane c760214  
1239 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1240 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1241 C6H12 Cyclohexane cyclohexane  
1242 C6H12 Cyclopentane, methyl- c96377  
1243 C6H12 Ethylcyclobutane c4806615  
1244 C6H12 hex-1-ene hexene1  
1245 C6H14 Butane, 2,2-dimethyl- buta22  
1246 C6H14 Butane, 2,3-dimethyl- buta23  
1247 C6H14 Hexane hexane  
1248 C6H14 Pentane, 2-methyl- penta2  
1249 C6H14 Pentane, 3-methyl- penta3  
1250 C4N2 2-Butynedinitrile c4n2  
1251 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1252 C4H2N2 Fumaronitrile c4h2n2  
1253 C2H2N4 sym-tetrazine ttz  
1254 C3H3N3 1,3,5-Triazine triazine135  
1255 CH3N5 5-Aminotetrazole c4418615  
1256 C4H4N2 1,3-Diazine diazine13  
1257 C4H4N2 Pyrazine pyrazine  
1258 C4H4N2 Pyridazine pyridazine  
1259 C4H4N2 Succinonitrile c110612  
1260 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1261 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1262 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1263 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1264 C5H5N E-2,4-pentadienenitrile bdcn  
1265 C5H5N Pyridine pyridine  
1266 B3N3H6 borazine borazine  
1267 C6H6 Fulvene fulvene  
1268 C5H6N+ Pyridinium c5h6n  
1269 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1270 C5H7N (E)-2-Pentenenitrile c26294984  
1271 C5H7N (E)-3-Pentenenitrile c16529661  
1272 C5H7N (Z)-2-Pentenenitrile c25899507  
1273 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1274 C5H7N Cyclobutanecarbonitrile c4426113  
1275 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1276 C5H9N Butanenitrile, 2-methyl- c18936179  
1277 C5H9N Pentanenitrile c110598  
1278 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1279 C6H10 Bicyclo[3.1.0]hexane c285585  
1280 C5H11N Cyclopentanamine cypentam  
1281 C5H11N Piperidine piper  
1282 C4H12N2 1,2-Butanediamine c4426486  
1283 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1284 Li2CO3 Lithium Carbonate li2co3  
1285 Na2CO3 Sodium Carbonate na2co3  
1286 C2O4-- oxalate anion c2o4  
1287 MgSO4 Magnesium Sulfate mgso4  
1288 C2H2O4 Oxalic Acid oxalic  
1289 C2H3NO3 Oxamic acid oxamic  
1290 C4H4O2 2(5H)-Furanone furanone  
1291 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1292 C2H4N2O2 Oxalamide oxalamide  
1293 C2H4N2S2 Ethanedithioamide c79403  
1294 C2H4CO3 Ethylene carbonate etco3  
1295 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1296 C3H4S3 1,3-Dithiolane-2-thione c822388  
1297 C4H5NO 3-Methylisoxazole isox3m  
1298 C4H5NO Isoxazole, 5-methyl- c5765446  
1299 C4H5NS 4-Methylthiazole c693958  
1300 C2H5NO3 Nitric acid, ethyl ester c625581  
1301 C5H6O 2-methylfuran furan2m  
1302 C5H6O 3-Methylfuran furan3m  
1303 C5H6O Pentadienal pdal  
1304 C5H6S Thiophene, 2-methyl- c554143  
1305 C5H6S Thiophene, 3-methyl- c616444  
1306 C4H6O2 2,3-Butanedione c431038  
1307 C4H6O2 2-Propenoic acid, methyl ester c96333  
1308 C4H6O2 Crotonic Acid crot  
1309 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1310 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1311 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1312 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1313 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1314 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1315 C4H6OS Vinyl sulfoxide c1115157  
1316 CH6N4S Carbonothioic dihydrazide thiacarb  
1317 C2H6N2O2 (E)-Azodioxymethane c37765154  
1318 C2H6N2O2 Dimethylnitroamine c4164287  
1319 C3H6O3 1,3,5-Trioxane trioxane  
1320 C3H6S3 1,3,5-Trithiane c3h6s3  
1321 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1322 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1323 C4H7NO 2-Pyrrolidinone c616455  
1324 C4H7NO Ethoxyacetonitrile etoaccn  
1325 C4H7NO Methacrylamide c79390  
1326 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1327 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1328 C3H7ONO Propyl nitrite prono  
1329 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1330 CH3CH(NH2)COOH Alanine alanine  
1331 CH3NHCH2COOH Sarcosine sarcosine  
1332 NH2CH2CH2COOH β–alanine betaalanine  
1333 NH2COOC2H5 Urethane urethane  
1334 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1335 C5H8O Cyclopentanone c120923  
1336 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1337 C5H8O Methyl cyclopropyl ketone c765435  
1338 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1339 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1340 NH2CONHC2H5 Urea, ethyl- c625525  
1341 C4H8O2 1,3-Dioxane dioxan13  
1342 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1343 C4H8O2 1,4-Dioxane dioxan14  
1344 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1345 C4H8OS s-Ethyl thioacetate c625605  
1346 C3H8O3 1,2,3-Propanetriol glycerin  
1347 C3H8O2S (Methylsulfonyl)ethane c594434  
1348 C4H9NO Butanamide c541355  
1349 C4H9NO Propanamide, 2-methyl- c563837  
1350 C5H10O 2-Butanone, 3-methyl- c563804  
1351 C5H10O 2H-Pyran, tetrahydro- c142687  
1352 C5H10O 2-methylbutyraldehyde 2meba  
1353 C5H10O 2-Pentanone mpk  
1354 C5H10O 3-Pentanone dek  
1355 C5H10O Cyclopentanol c96413  
1356 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1357 C5H10O Pentanal pal  
1358 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1359 C5H10S 3-Ethylthio-1-propene c5296628  
1360 C5H10S Cyclopentanethiol c1679078  
1361 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1362 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1363 C4H10O2 1,1-Dimethoxyethane c534156  
1364 C4H10O2 1,3-Butanediol budiol13  
1365 C4H10O2 1,4-Butanediol budiol14  
1366 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1367 C4H10OS Diethyl sulfoxide c70291  
1368 C4H10S2 1,4-Butanedithiol budisl14  
1369 C4H11NO Diethylhydroxylamine c3710847  
1370 C5H12O 1-Butanol, 2-methyl- c137326  
1371 C5H12O 1-Butanol, 3-methyl- c123513  
1372 C5H12O 1-Pentanol pentanol1  
1373 C5H12O 2-Butanol, 3-methyl- c598754  
1374 C5H12O 2-Pentanol peol2  
1375 C5H12O 3-Pentanol pentan3ol  
1376 C5H12O Butane, 1-methoxy- meobu  
1377 C5H12O Propane, 1-ethoxy- proet  
1378 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1379 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1380 C5H12S 1-Butanethiol, 3-methyl- c541311  
1381 C5H12S 1-Pentanethiol c110667  
1382 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1383 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1384 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1385 C5H12S Butane, 1-(methylthio)- c628295  
1386 C5H12S Ethyl propyl sulfide c4110503  
1387 C5H12S Propane, 2-(ethylthio)- c5145993  
1388 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1389 C4F2 difluorobutadiyne c4f2  
1390 ClCOClCO Oxalyl chloride oxcl  
1391 CF3CN Acetonitrile, trifluoro- cf3cn  
1392 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1393 B2F4 Diboron tetrafluoride b2f4  
1394 B2Cl4 Diboron tetrachloride b2cl4  
1395 C2F4 Tetrafluoroethylene c2f4  
1396 C2F4+ Tetrafluoroethylene cation c2f4+  
1397 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1398 CF2CCl2 difluorodichloroethylene cf2ccl2  
1399 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1400 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1401 C2FCl3 fluorotrichloroethene c2fcl3  
1402 C2Cl4 Tetrachloroethylene c2cl4  
1403 C2Br4 tetrabromoethene c2br4  
1404 CF3OF Trifluoromethylhypofluorite cf3of  
1405 SiF5- silicon pentafluoride anion sif5-  
1406 SOF4 Sulfur tetrafluoride oxide sof4  
1407 AsF5 Arsenic pentafluoride asf5  
1408 PCl5 Phosphorus pentachloride pcl5  
1409 SF5 Sulfur pentafluoride sf5  
1410 SF5+ pentafluoro sulfur cation sf5+  
1411 SbCl5 Antimony pentachloride sbcl5  
1412 BrF5 bromine pentafluoride brf5  
1413 ClF5 chlorinepentafluoride clf5  
1414 IF5 pentafluoroiodine if5  
1415 CF3CHO trifluoroacetaldehyde cf3cho  
1416 CCl3CHO trichloroacetaldehyde ccl3cho  
1417 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1418 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1419 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1420 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1421 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1422 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1423 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1424 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1425 CF3COOH trifluoroacetic acid cf3cooh  
1426 C4H3ClO Furan, 2-chloro fur2cl  
1427 C4H3ClO Furan,3-chloro fur3cl  
1428 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1429 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1430 C4H8Cl2 1,4-Dichlorobutane c110565  
1431 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1432 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1433 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1434 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1435 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1436 C5H11Cl Pentane, 1-chloro- pencl1  
1437 C4H8O2 Butanoic acid bua  
1438 C6H5CH2 benzyl radical benzyl  
1439 C7H7+ cycloheptatrienyl cation c7h7+  
1440 C6H5CH3 toluene toluene  
1441 C7H8 cycloheptatriene cht  
1442 C7H8 Norbornadiene norbor  
1443 C7H8 Quadricyclane qucy  
1444 C7H12 Norbornane nor  
1445 C7H14 cycloheptane c7h14  
1446 C7H16 2-methylhexane 2mhex  
1447 C7H16 3-methylhexane hex3m  
1448 C7H16 heptane heptane  
1449 CH(CN)3 tricyanomethane mecn3  
1450 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1451 C6H7N 2-Methylpyridine mp  
1452 C6H5NH2 aniline aniline  
1453 C6H13N 2-Methylpiperidine pip2m  
1454 C6H13N cyclohexanamine cham  
1455 C6H15N triethylamine tea  
1456 N2O5 Dinitrogen pentoxide n2o5  
1457 C4H2O3 Maleic Anhydride malan  
1458 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1459 C6H5O phenoxy radical phenoxy  
1460 C5H5NO 2(1H)-Pyridinone c72762006  
1461 C5H5NO 2(3H)-Pyridinone c9000048  
1462 C5H5NO 2(5H)-Pyridinone c9000037  
1463 C5H5NO 2-Pyridinol c109104  
1464 C5H5NO 3(2H)-Pyridinone c9000004  
1465 C5H5NO 3(4H)-Pyridinone c9000026  
1466 C5H5NO 3(6H)-Pyridinone c9000015  
1467 C5H5NO 3-Pyridinol c109002  
1468 C5H5NO 4(1H)-Pryidinone c9000060  
1469 C5H5NO 4(3H)-Pryidinone c9000059  
1470 C5H5NO 4-Pyridinol c626642  
1471 C6H5OH phenol phenol  
1472 C6H6O 2,4-Cyclohexadienone c24599573  
1473 C6H6O 2,5-Cyclohexadienone c5664335  
1474 C6H5SH Benzenethiol phsh  
1475 HO2CCHNH2CH2OH Serine serine  
1476 C5H8O2 Acetylacetone acac  
1477 C4H8O2S Sulfolane sulfolane  
1478 C7H10 Norbornene norbornene  
1479 CH(C2H3)3 trivinyl methane tvm  
1480 C6H10O cyclohexanone chexo  
1481 C6H12O hexanal c6h12o  
1482 C3H7OC3H7 di-n-propyl ether propr  
1483 F2CCCF2 tetrafluoroallene pfa  
1484 CF3COO- trifluoro acetate anion cf3coo-  
1485 CF3COF trifluoroacetyl fluoride cf3cof  
1486 CF3COCl trifluoroacetyl chloride cf3cocl  
1487 PF6 Hexafluorophosphate neutral pf6  
1488 PF6- Hexafluorophosphate ion pf6-  
1489 SeF6 Selenium hexafluoride sef6  
1490 SF5Cl sulfur chloropentafluoride sf5cl  
1491 CF3CHF2 pentafluoroethane cf3chf2  
1492 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1493 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1494 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1495 CCl3CHCl2 pentachloroethane ccl3chcl2  
1496 C6H5F Fluorobenzene bzf  
1497 C6H5Cl chlorobenzene bzcl  
1498 C6H5Br bromobenzene bzbr  
1499 C8H6 Calicene calicene  
1500 C6H5CCH phenylacetylene phac  
1501 C8H6 benzocyclobutadiene bcbd  
1502 C8H6 Pentalene pentalene  
1503 C6H5CHCH2 Styrene styrene  
1504 C8H8 cyclooctatetraene cot  
1505 C6H5CH2CH3 Ethylbenzene etbz  
1506 CH3C6H4CH3 meta-xylene mxylene  
1507 CH3C6H4CH3 paraxylene pxylene  
1508 C8H14 Bicyclo[2.2.2]octane bico222  
1509 C8H16 cyclooctane cyclooct  
1510 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1511 C8H18 Octane c8h18  
1512 C6H5CN phenyl cyanide phcn  
1513 C6H12N2 Triethylenediamine ted  
1514 C4O4-- squarate dianion c4o4--  
1515 S4N4 Tetrasulfur tetranitride s4n4  
1516 S8 Octasulfur s8  
1517 C6H4O2 parabenzoquinone pbq  
1518 C4H4N2O2 Uracil uracil  
1519 C6H5CHO benzaldehyde benzal  
1520 C6H5OCH3 Anisole anisole  
1521 C5H9NO2 Proline proline  
1522 C6H12O2 Methyl pivalate c598981  
1523 C6H12O2 Hexanoic acid hexa  
1524 C4F4 tetrafluorcyclobutadiene c4f4  
1525 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1526 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1527 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1528 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1529 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1530 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1531 C2F6 hexafluoroethane c2f6  
1532 C2Cl6 hexachloroethane c2cl6  
1533 IF7 Iodine heptafluoride if7  
1534 C6H4F2 metadifluorobenzene mdfb  
1535 C6H4F2 orthodifluorobenzene odfb  
1536 C6H4F2 1,4-difluorobenzene pdfb  
1537 C6H4Cl2 1,2-dichlorobenzene dcb12  
1538 C6H4Cl2 1,3-dichlorobenzene dcb13  
1539 C6H4Cl2 1,4-dichlorobenzene dcb14  
1540 C6H5NO nitrosobenzene bzno  
1541 C9H8 Indene indene  
1542 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1543 C9H12 n-propyl benzene prbz  
1544 C9H20 Nonane nonane  
1545 C(CN)4 tetracyanomethane c5n4  
1546 C5H4N4 purine purine  
1547 C8H7N Indole indole  
1548 C3H3N3O3 cyanuric acid cyanuric  
1549 C6H5NO2 Nitrobenzene c6h5no2  
1550 C6H5COOH benzoic acid benzo  
1551 CH3COC6H5 acetophenone acph  
1552 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1553 C3F6 hexafluoropropene c3f6  
1554 C6H3F3 Benzene trifluoride 123 bzf3a  
1555 C8H18O 1-Octanol octanol  
1556 C10H8 Azulene azu  
1557 C10H8 naphthalene naph  
1558 C10H10 bullvalene bullv  
1559 C10H16 adamantane adamantane  
1560 C6N4 Tetracyanoethylene tcne  
1561 C6N4- tetracyanoethylene anion tcne-  
1562 C10H22 Decane decane  
1563 C4F6 perfluorobutadiene c4f6  
1564 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1565 C3F8 perfluoropropane c3f8  
1566 Fe(CO)5 Iron pentacarbonyl ipc  
1567 Fe(C5H5)2 ferrocene fecp2  
1568 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1569 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1570 C12H8 Acenaphthylene acenaph  
1571 C12H8 biphenylene biph  
1572 C12H10 biphenyl biphenyl  
1573 C12H10 Heptalene heptalene  
1574 C6H12O6 Inositol inositol  
1575 C6F6 hexafluorobenzene c6f6  
1576 S2F10 disulphur decafluoride s2f10  
1577 C13H10 Fluorene fluorene  
1578 C14H10 Anthracene anth  
1579 C14H10 Phenanthrene phenanthrene  
1580 C14H14 Bibenzyl bibenzyl  
1581 C12H10N2 azobenzene azobenzene  
1582 C6H5COC6H5 benzophenone benzophenone  
1583 C16H10 Pyrene pyrene  
1584 C18H12 Tetracene tetracene  
1585 C19H16 Triphenylmethane tpm  
1586 C24H12 Coronene coronene  
1587 C60 Buckminsterfullerene c60