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Computational Chemistry Comparison and Benchmark DataBase
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 B97D3 /aug-cc-pVDZ

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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 anion 3PKh
17 Al+ Aluminum atom cation 1SKh
18 Ga Gallium atom 2P 
19 Ga- Gallium atom anion 3POh
20 Ga+ Gallium atom cation 1S 
21 GaH Gallium monohydride 1ΣC∞v
22 GaH+ Gallium monohydride cation 2ΣC∞v
23 BH3+ boron trihydride cation 2B2C2v
24 BH3+ boron trihydride cation  C2v
25 AlH3- aluminum trihydride anion  C3v
26 BH4- borohydride anion 1A1Td
27 C Carbon atom 3P0Kh
28 Si- Silicon atom anion 4SKh
29 Ge Germanium atom 3PKh
30 Ge- Germanium anion 4SKh
31 Ge+ Germanium cation 2PKh
32 CH Methylidyne 2Π1/2C∞v
33 SiH Silylidyne 2ΠC∞v
34 GeH germylidene 2ΠC∞v
35 CH2- methylene anion 2B1C2v
36 GeH2 germylene 1A1C2v
37 CH3 Methyl radical 2A1D3h
38 SiH3 Silyl radical 2A1C3v
39 SiH3+ Silyl cation 1A1'D3h
40 GeH3 Germyl radical 2A1C3v
41 GeH3+ germyl cation 1A1'D3h
42 CH4 Methane 1A1Td
43 SiH2D2 silane-d2   
44 SiH4 Silane 1A1Td
45 GeH4 Germane 1A1Td
46 SiH5+ Silane, protonated   
47 N Nitrogen atom 4SKh
48 P Phosphorus atom 4SKh
49 V+ Vanadium atom cation 5DKh
50 As Arsenic atomic 4SKh
51 As- Arsenic anion 3PKh
52 As+ Arsenic cation 3PKh
53 PH phosphorus monohydride 3Σ-C∞v
54 AsH Arsenic monohydride 3ΣC∞v
55 NH2 Amino radical 2B1C2v
56 NH2+ Amino cation 3B1C2v
57 NH2+ Amino cation 1A1C2v
58 NH3 Ammonia 1A1C3v
59 PH3 Phosphine 1A1C3v
60 PH3+ Phosphine cation 2A1C3v
61 AsH3 Arsine 1A1C3v
62 AsH3+ Arsine cation 2A1C3v
63 AsH4+ Arsonium   
64 NH4 Ammonium radical   
65 NH4+ ammonium cation 1A1Td
66 PH4 Phosphoranyl radical   
67 PH4+ phosphonium cation   
68 O Oxygen atom 3SKh
69 S Sulfur atom   
70 Se Selenium atom 3PKh
71 Se- Selenium atom anion 2PKh
72 Se+ Selenium atom cation 4SKh
73 OH Hydroxyl radical 2ΠC∞v
74 OH- hydroxide anion 1ΣC∞v
75 OH+ hydoxyl cation 3ΣC∞v
76 HS- mercapto anion 1ΣC∞v
77 HS+ sulfur monohydride cation 3ΣC∞v
78 CrH Chromium hydride 6ΣC∞v
79 CrH+ Chromium hydride cation 5ΣC∞v
80 HSe Selenium monohydride 2ΠC∞v
81 HSe- selenium monohydride anion 1ΣC∞v
82 HSe+ selenium monohydride cation 3ΣC∞v
83 H2O Water 1A1C2v
84 H2O- water anion 2A1C2v
85 H2O- water anion 2A'Cs
86 H2O+ water cation 2B1C2v
87 HDO Water-d1 1A1C2v
88 H2S Hydrogen sulfide 1A1C2v
89 H2S+ Hydrogen sulfide cation 2B1C2v
90 H2Se Hydrogen selenide 1A1C2v
91 H2Se+ Hydrogen selenide cation 2B1C2v
92 H3O+ hydronium cation 1A1C3v
93 H3S+ Sulfonium cation 1A1C3v
94 H3Se+ Hydrogen Selenide, protonated 1A1C3v
95 F Fluorine atom 2PKh
96 F- Fluorine atom anion 1SKh
97 F+ Fluorine atom cation 3SKh
98 F+ Fluorine atom cation 1DKh
99 Cl Chlorine atom 2PKh
100 Cl- Chlorine atom anion 1SKh
101 Cl+ Chlorine atom cation 3PKh
102 Cl+ Chlorine atom cation 1DKh
103 Br Bromine atom 2PKh
104 Br- Bromine atom anion 1SKh
105 Br+ Bromine atom cation 3PKh
106 HF Hydrogen fluoride 1ΣC∞v
107 HF- hydrogen fluoride anion 2ΣC∞v
108 HF+ hydrogen fluoride cation 2ΠC∞v
109 HCl Hydrogen chloride 1ΣC∞v
110 HCl- hydrogen chloride anion 2ΣC∞v
111 HCl+ hydrogen chloride cation 2ΠC∞v
112 HBr hydrogen bromide 1ΣC∞v
113 HBr- hydrogen bromide anion 2ΣC∞v
114 HBr+ hydrogen bromide cation 2ΠC∞v
115 H2Cl+ dihydrogen monochloride cation 1A1C2v
116 H2Br+ protonated hydrogen bromide 2A1C2v
117 Ne Neon atom   
118 Kr Krypton atom 1SKh
119 Kr+ Krypton cation 2PKh
120 HeLi+ Helium Lithium cation   
121 ArH+ Argon hydride cation 1ΣC∞v
122 KrH+ Protonated Krypton 1ΣC∞v
123 NaLi lithium sodium 1ΣC∞v
124 Na2 Sodium diatomic 1ΣgD∞h
125 Na2- sodium diatomic anion 2ΣuD∞h
126 Na2+ sodium diatomic cation 2ΣgD∞h
127 LiAl Lithium Aluminum   
128 NaAl Sodium aluminum 1ΣC∞v
129 HBBH Diborane(2) 3ΣGD∞h
130 B2H4 Diborane(4) D2d 1A1D2d
131 HBHHBH Diborane(4) C2V 1A1C2v
132 B2H6 Diborane 1AgD2h
133 B2H6+ Diborane cation   
134 BSi Boron silicide 4ΣC∞v
135 BSi Boron silicide 2ΣC∞v
136 GeC Germanium monocarbide 1ΣC∞v
137 SiGe Silicon Germanium   
138 C2H Ethynyl radical 2ΣC∞v
139 C2H- Ethynyl anion 1ΣC∞v
140 C2H2 Acetylene 1ΣgD∞h
141 C2H2+ acetylene cation 2ΠuD∞h
142 C2H2+ acetylene cation   
143 H2CC- vinylidene anion   
144 HCCH- acetylene anion   
145 HCCH- acetylene anion   
146 Si2H2 disilyne   
147 Si2H2 disilyne   
148 Si2H2 disilyne   
149 Si2H2 disilyne   
150 CH3Li methyl lithium 1A1C3v
151 C2H3 vinyl 2A'Cs
152 C2H3+ vinyl cation 1A1C2V bridging H
153 C2H3+ vinyl cation 1A1C2V HCCH2
154 C2H4 Ethylene 1AgD2h
155 C2H4+ Ethylene cation 2B3D2
156 Si2H4 Disilene   
157 Si2H4 Disilene   
158 Si2H4 Disilene   
159 C2H5 Ethyl radical 2A'Cs
160 C2H6 Ethane 1A1gD3d
161 Si2H6 disilane 1EuD3d
162 LiN Lithium Nitride 3ΣC∞v
163 LiP Lithium monophosphide   
164 LiP Lithium monophosphide   
165 MgN Magnesium Nitride   
166 MgN Magnesium Nitride   
167 GaAs Gallium arsenide 3Π 
168 GaAs Gallium arsenide 1Σ 
169 CN Cyano radical 2ΣC∞v
170 SiP Silicon monophosphide 2ΠC∞v
171 N2 Nitrogen diatomic 1ΣgD∞h
172 N2 Nitrogen diatomic   
173 N2- nitrogen diatomic anion 2ΠgD∞h
174 PN Phosphorus mononitride 1ΣC∞v
175 HCN Hydrogen cyanide 1ΣC∞v
176 HCN+ hydrogen cyanide cation 2ΠC∞v
177 HNC+ hydrogen isocyanide cation   
178 HCP+ Phosphaethyne cation   
179 NNH+ Dinitrogen monohydride cation 1ΣC∞v
180 LiNH2 lithium amide   
181 HBNH Boranimine 1ΣC∞v
182 H2NN Isodiazene   
183 N2H2+ trans-diazene cation 2AGC2h
184 CH2NH Methanimine 1A'Cs
185 CH2NH+ Methanimine cation   
186 CHNH2 aminomethylene   
187 CHNH2+ Aminocarbene cation   
188 BH2NH2 Boranamine   
189 N2H4 Hydrazine 1AC2
190 CH3NH2 methyl amine 1A'Cs
191 SiH3NH2 Silane, amino   
192 N2H5+ protonated hydrazine 1A'Cs
193 BH3PH3 borane phosphine   
194 BH3NH3 borane ammonia 1A1C3v
195 CH3NH3 methyl ammonium radical 2A1C3v
196 N2H7+ ammonia ammonium dimer   
197 LiSe Lithium monoselenide   
198 BO boron monoxide 2ΣC∞v
199 GaO Gallium monoxide 2ΣC∞v
200 GaS Gallium monosulfide   
201 CO Carbon monoxide 1ΣC∞v
202 CO- carbon monoxide anion 2ΠC∞v
203 CO+ carbon monoxide cation 2ΣC∞v
204 SiO Silicon monoxide 1ΣC∞v
205 SiS silicon monosulfide 1ΣC∞v
206 CSe Carbon monoselenide 1ΣC∞v
207 GeO Germanium monoxide 1ΣC∞v
208 SiSe Silicon Monoselenide   
209 SiSe+ Silicon Monoselenide cation   
210 GeSe Germanium monoselenide   
211 NO Nitric oxide 2ΠC∞v
212 NO- nitric oxide anion 3ΣC∞v
213 NO+ nitric oxide cation 1ΣC∞v
214 PO Phosphorus monoxide 2ΠC∞v
215 PS phosphorus sulfide 2ΣC∞v
216 NSe Nitrogen monoselenide 2ΠC∞v
217 AsS Arsenic monosulfide 2ΠC∞v
218 PSe Phosphorus monoselenide 2ΠC∞v
219 AsSe Arsenic monoselenide 2ΠC∞v
220 O2 Oxygen diatomic 3ΣgD∞h
221 O2- oxygen diatomic anion 2ΠD∞h
222 O2-- dioxygen dianion   
223 SO Sulfur monoxide 3ΣC∞v
224 SO Sulfur monoxide 1ΣC∞v
225 SO+ sulfur monoxide cation 2ΠC∞v
226 S2 Sulfur diatomic 3ΣgD∞h
227 SeO Selenium monoxide 3ΣC∞v
228 Se2 Selenium diatomic 3ΣgD∞h
229 LiOH lithium hydroxide 1ΣC∞v
230 BeOH beryllium monohydroxide 2A'Cs
231 HBO Boron hydride oxide 1ΣC∞v
232 HBS hydrogen boron sulfide 1ΣC∞v
233 COH Hydroxymethylidyne   
234 HCO Formyl radical 2A'Cs
235 HCO- formyl anion 1A'Cs
236 HCO+ Formyl cation 1ΣC∞v
237 HNO Nitrosyl hydride 1A'Cs
238 HNO+ Nitrosyl hydride cation 2A'Cs
239 HO2+ Hydroperoxy cation 3A"Cs
240 HSO+ Sulfur Monoxide, S-protonated   
241 SOH Sulfur Hydroxide   
242 SOH+ Sulfur Monoxide, protonated   
243 H2CO Formaldehyde 1A1C2v
244 H2CO- formaldehyde anion 2A'Cs
245 H2CO- formaldehyde anion   
246 H2CO+ formaldehyde cation 2B2C2v
247 H2CS Thioformaldehyde 1A1C2v
248 H2CS- thioformaldehyde anion   
249 H2CS- thioformaldehyde anion   
250 H2CS+ thioformaldehyde cation 2B2C2v
251 H2CSe Selenoformaldehyde   
252 H2O2 Hydrogen peroxide 1AC2
253 H2O2 Hydrogen peroxide 1AgC2h
254 H2OO water oxide   
255 HOSH hydrogen thioperoxide   
256 H2S2 Disulfane 1AC2
257 H2S2+ hydrogen disulfide cation 2BgC2h
258 H2Se2 hydrogen diselenide   
259 CH2OH+ hydroxymethyl cation 1A'Cs
260 CH3O- methoxy anion 1A1C3v
261 NH2OH hydroxylamine 1A'Cs
262 NH2OH+ Hydroxylamine cation   
263 NH2SH Thiohydroxylamine   
264 NH2SH Thiohydroxylamine   
265 NH3S sulfidoazane   
266 CH3OH Methyl alcohol 1A'Cs
267 CH3OH+ Methyl alcohol cation 2A"Cs
268 CH3SH Methanethiol 1A'Cs
269 SiH3OH silanol   
270 NH2OH2+ protonated hydroxylamine   
271 NH3OH+ N-protonated hydroxylamine   
272 CH3SH2+ protonated methylsulfide 1A'Cs
273 H5O2+ Dihydroxonium ion 1AC2
274 LiF lithium fluoride 1ΣC∞v
275 LiCl lithium chloride 1ΣC∞v
276 NaF+ sodium fluoride cation 2ΣC∞v
277 LiBr Lithium Bromide 1ΣC∞v
278 LiF+ lithium fluoride cation 2ΠC∞v
279 BF Boron monofluoride 1ΣC∞v
280 AlF Aluminum monofluoride 1Σ+C∞v
281 GaF Gallium monofluoride 1ΣC∞v
282 AlBr Aluminum monobromide   
283 GaCl Gallium monochloride 1ΣGC∞v
284 GaBr Gallium monobromide   
285 CF Fluoromethylidyne 2ΠC∞v
286 SiCl Clorosilylidyne 2ΠC∞v
287 CBr Carbon monobromide 2ΠC∞v
288 GeF Germanium monofluoride 2ΠC∞v
289 GeF+ Germanium monofluoride cation 1ΣC∞v
290 GeCl Germanium monochloride 2ΠC∞v
291 GeCl+ Germanium monochloride cation   
292 SiBr Silicon monobromide 2ΠC∞v
293 SiBr+ Silicon monobromide cation   
294 NCl nitrogen monochloride 3ΣC∞v
295 AsCl Arsenic monochloride 3ΣC∞v
296 PBr Phosphorus monobromide   
297 ClO Monochlorine monoxide 2ΠC∞v
298 ClO+ chlorine monoxide cation 3ΣC∞v
299 SF Monosulfur monofluoride 2ΠC∞v
300 SF+ sulfur monofluoride cation 3ΣC∞v
301 SCl+ sulfur monochloride cation 3ΣgC∞v
302 BrO Bromine monoxide 2ΠC∞v
303 BrO+ Bromine monoxide cation   
304 SBr Sulfur monobromide radical   
305 SBr+ Sulfur monobromide cation   
306 SeCl Selenium monochloride 2ΠC∞v
307 SeBr Selenium monobromide   
308 BrCl Bromine monochloride 1ΣC∞v
309 F2 Fluorine diatomic 1ΣgD∞h
310 F2- flourine diatomic anion 2ΣuD∞h
311 F2+ flourine diatomic cation 2ΠgD∞h
312 ClF Chlorine monofluoride 1Σ+C∞v
313 ClF+ clorine monofluoride cation 2ΠC∞v
314 Cl2+ chlorine diatomic cation 2ΠgD∞h
315 BrF Bromine monofluoride 1ΣC∞v
316 Br2 Bromine diatomic 1ΣgD∞h
317 Br2- bromine diatomic anion 2ΣuD∞h
318 Br2+ bromine diatomic cation 2ΠgD∞h
319 HCF Fluoromethylene 1A'Cs
320 HCF Fluoromethylene 3A"Cs
321 HSiF fluorosilylene   
322 HSiCl Chlorosilylene   
323 HSiBr monobromosilylene   
324 HOF Hypofluorous acid 1A'Cs
325 HOCl hypochlorous acid 1A'Cs
326 HOCl+ hypochlorous acid cation   
327 F2H+ Fluorine, protonated 1A'Cs
328 ClFH+ Chlorine fluoride, F-protonated   
329 FClH+ Chlorine fluoride, Cl-protonated   
330 Cl2H+ Chlorine, protonated 1A'Cs
331 CH2Br bromomethyl radical   
332 CH2F fluoromethyl radical 2ACs
333 CH2F+ fluoromethyl cation   
334 CH2Cl+ chloromethyl cation   
335 CH2Cl chloromethyl radical 2A'Cs
336 CH2Cl chloromethyl radical 2B1C2v
337 NH2Cl chloramine 1A'Cs
338 CH3F+ methyl fluoride cation   
339 CH3F Methyl fluoride 1A1C3v
340 CH3Cl Methyl chloride 1A1C3v
341 CH3Cl+ Methyl chloride cation   
342 SiH3F monofluorosilane 1A1C3v
343 SiH3Cl chlorosilane 1A1C1
344 CH3Br methyl bromide 1A1C3v
345 GeH3F monofluorogermane   
346 GeH3Cl monochlorogermane   
347 SiH3Br bromosilane 1A1C3v
348 NH3Cl+ protonated monochloroammonia   
349 CH3ClH+ methyl chloride, protonated   
350 NH4Cl Ammonium chloride   
351 LiNe+ Lithium Neon cation   
352 Ar2 Argon diatomic 1SgD∞h
353 C3 carbon trimer 1ΣgD∞h
354 C3 carbon trimer 1A1C2v
355 SiC2 Silicon dicarbide   
356 C3H4 cyclopropene 1A1C2v
357 CH2CCH2 allene 1A1D2d
358 CH3CCH propyne 1A'C3v
359 C3H6 Cyclopropane 1A1'D3h
360 CH2CHCH3 Propene 1A'Cs
361 C3H7 n-Propyl radical 2A"C1
362 C3H7+ cyclopropane, protonated   
363 CH3CHCH3 Isopropyl radical 2AC2
364 CH3CHCH3+ Isopropyl cation 1AC2
365 C3H8 Propane 1A1C2v
366 Si3H8 trisilane   
367 LiCN lithium cyanide 1ΣC*V LiCN
368 ZnCN Zinc monocyanide 2ΣC∞v
369 ZnNC Zinc isocyanide 2ΣC∞v
370 AlCN Aluminum monocyanide   
371 AlNC Aluminum isocyanide   
372 CNN Diazocarbene   
373 N3 azide radical 2ΠgD∞h
374 N3+ azide cation 3ΣC∞v
375 HN3 hydrogen azide 1A'Cs
376 HN3+ Hydrazoic acid cation   
377 HNCNH diiminomethane 1AC2
378 HNNNH+ 1,2-Triazadienium   
379 NH2NN+ hydrazoic acid, protonated   
380 CH3CN Acetonitrile 1A1C3v
381 CH3CN- acetonitrile anion 2EC3v
382 CH3CN- acetonitrile anion 2A'Cs
383 CHNCH2 2H-Azirine   
384 CHNHCH 1H-Azirine   
385 H2CCNH Ethenimine   
386 H2CNCH methyleneaminomethylene   
387 HCCNH2 Ethynamine   
388 HCNCH2+ 2H-Azirine cation   
389 NH2CNH+ cyanamide, cn protonated   
390 NH3CN+ cyanamide, amine protonated   
391 C2H6N+ aziridine, protonated 1A1C2v
392 CH3CH2NH2 Ethylamine   
393 CH3PHCH3 dimethylphosphine 1A'Cs
394 Li2O dilithium oxide 1ΣgD∞h
395 Na2O disodium monoxide 1ΣgLinear
396 Na2O disodium monoxide 1A1C2v
397 Na2S Sodium sulfide   
398 Na2S Sodium sulfide   
399 LiO2 Lithium dioxide   
400 NaO2 Sodium superoxide   
401 NCO isocyanato radical 2ΠC∞v
402 N2O Nitrous oxide 1ΣC∞v
403 CO2 Carbon dioxide 1ΣgD∞h
404 OCS Carbonyl sulfide 1ΣC∞v
405 CS2 Carbon disulfide 1ΣgD∞h
406 GeO2 Germanium dioxide 1ΣgD∞h
407 OCSe Carbonyl selenide 1ΣC∞v
408 SCSe Carbon sulfide selenide   
409 NO2 Nitrogen dioxide 2A1C2v
410 NO2+ Nitrogen dioxide cation 1ΣGD∞h
411 NSO sulfinyl amidogen   
412 SNO Nitrogen oxide sulfide   
413 O3 Ozone 1A1Cs
414 SO2 Sulfur dioxide 1A1C2v
415 SSO Disulfur monoxide 1A'Cs
416 S3 Sulfur trimer 1A1C2v
417 S3 Sulfur trimer   
418 SeO2 Selenium dioxide 1A1C2v
419 HCCO ketenyl radical 2ΠC∞v
420 HCCO ketenyl radical 2A"Cs
421 HCNO fulminic acid 1ΣC∞v
422 HNCS Isothiocyanic acid   
423 HSCN thiocyanic acid 1A'Cs
424 HOCO Hydrocarboxyl radical 1A'cis
425 HOCO Hydrocarboxyl radical 1A'trans
426 O3H+ protonated ozone 1A'Cs
427 O3H+ protonated ozone   
428 SO2H+ protonated sulfur dioxide 1A'Cs
429 C2H2O Oxirene 1A1C2v
430 CH2CO Ketene 1A1C2v
431 CH2CS Thioketene   
432 Be(OH)2 Beryllium hydroxide   
433 H2COO Dioxymethyl radical 2A'Cs
434 H2COO+ dioxymethyl cation 2A'Cs
435 HCOOH Formic acid 1A'Cs
436 HCOOH Formic acid   
437 BH3CO Borane carbonyl 1A1C3v
438 CH2COH+ ketene, protonated   
439 HOCHNH hydroxymethylimine 1A'CS H all up
440 CHSNH2 thioformamide   
441 NHCHSH Methanimidothioic acid   
442 C2H4O Ethylene oxide 1A1C2v
443 C2H4O+ ethylene oxide cation   
444 CH3CHO Acetaldehyde 1A'Cs
445 CH3CHO+ acetaldehyde cation   
446 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
447 C2H4S Thiirane 1A1C2v
448 CH2CHSH Ethenethiol   
449 CH3CHS Thioacetaldehyde 1A'C1
450 NH2CHOH+ Formamide, O-protonated   
451 CH3SSH Hydrogen methyl disulfide   
452 HSCH2SH Methanedithiol   
453 C2H4OH+ ethylene oxide, protonated 1A'Cs
454 NH2CH2OH aminomethanol   
455 CH3CH2OH Ethanol 1A'Cs
456 CH3OCH3 Dimethyl ether 1A1C2v
457 CH3CH2SH ethanethiol 1A'Cs
458 CH3CH2SH ethanethiol 1AC1
459 CH3SCH3 Dimethyl sulfide 1A1C2v
460 CH3SCH3+ dimethyl sulfide cation   
461 CH3SeCH3 dimethylselenide 1A1C2v
462 CNF iso cyanogen fluoride 1ΣC∞v
463 BrCN Cyanogen bromide 1ΣC∞v
464 FBO Boron monofluoride monoxide   
465 BeBr2 Beryllium bromide   
466 BF2 Boron difluoride radical 2A1C2v
467 FNO Nitrosyl fluoride 1A'Cs
468 ClNO Nitrosyl chloride 1A'Cs
469 FNS Thionitrosyl fluoride 1A'Cs
470 FSN Thiazyl fluoride 1A'Cs
471 OPCl Phosphorus oxychloride   
472 CF2 Difluoromethylene 1A1D∞h
473 CFCl chlorofluoromethylene 1A'Cs
474 SiF2 Silicon difluoride 1A1C2v
475 GeCl2 Germanium dichloride 1A1C2v
476 CBr2 dibromomethylene 1A1C2v
477 CBr2 dibromomethylene 3B1C2v
478 FOO+ Fluorine dioxide cation   
479 OClO Chlorine dioxide 2B1D∞h
480 OClO- Chlorine dioxide anion 1A'Cs
481 ClSO Sulfur chloride oxide 2A"Cs
482 BrOO Bromine dioxide   
483 OBrO Bromine dioxide radical 2B1C2v
484 PF2 Phosphorus difluoride   
485 PF2+ Phosphorus difluoride cation   
486 FClO chlorosyl fluoride 1A'Cs
487 ClOF Chlorine hypofluorite 1A'Cs
488 SF2 sulfur difluoride 1A1C2v
489 SeF2 Selenium difluoride   
490 SeCl2 Selenium Dichloride   
491 SBr2 Sulfur dibromide   
492 SeBr2 Selenium dibromide   
493 Br3- tribromide anion   
494 SFCl Sulfur chloride fluoride   
495 HCCF Fluoroacetylene 1ΣC∞v
496 HCCBr bromoacetylene 1ΣC∞v
497 CHF2 difluoromethyl radical 2ACs
498 CHF2+ difluoromethyl cation   
499 CHFCl Chlorofluoromethyl radical   
500 CHFCl+ Chlorofluoromethyl cation   
501 CHCl2+ dichloromethyl cation   
502 CHBr2 dibromomethyl radical   
503 NHF2 difluoramine   
504 NHCl2 dichloroamine   
505 CH2F2 Methane, difluoro- 1A1C2v
506 SiH2F2 difluorosilane   
507 CH2Cl2 Methylene chloride 1A1C2v
508 CH2BrF Methane, bromofluoro- 1A'Cs
509 CH2BrCl Methane, bromochloro- 1A'Cs
510 CH2Br2 dibromomethane 1A1C2v
511 CH3MgBr Methyl Magnesium Bromide   
512 CH2CHF Ethene, fluoro- 1A'Cs
513 CH2FOH fluoromethanol   
514 CH2CH2Cl 2-chloroethyl radical 2A'Cs
515 CHClCH3 1-chloroethyl radical 2AC1
516 C2H5Br Ethyl bromide 1A'Cs
517 C4 Carbon tetramer 3ΣgD∞h
518 C4 Carbon tetramer   
519 C4H2+ diacetlyene cation 2ΠgD∞h
520 C4H4 Tetrahedrane   
521 C4H6 1-Methylcyclopropene 1AC1
522 CH2CHCH2CH3 1-Butene 1AC1
523 CH3CH2CH2CH3 Butane 1AgAnti
524 CH3CH2CH2CH3 Butane 1AGauche
525 As4 Arsenic tetramer 1A1Td
526 HCCCN+ Cyanoacetylene cation 2ΠC∞v
527 H2CNCN cyanamide, methylene   
528 HNCCNH Ethenediimine   
529 NH2CCNH2 Diaminoacetylene 1AC2
530 NH2CH2CN Aminoacetonitrile 1A'Cs
531 C2H5CN ethyl cyanide 1A'Cs
532 C4H6 Bicyclo[1.1.0]butane 1A1C2v
533 H2NCHCHNH2 diaminoethylene   
534 CH7N3 triaminomethane   
535 NH2CH2CH2CH3 1-Propanamine 1A'Cs
536 N(SiH3)3 trisilylamine   
537 (CH3)3NH+ protonated trimethyl amine   
538 C3H7NH3+ n-propylamine, protonated 1A'Cs
539 C3O Tricarbon monoxide 1ΣC∞v
540 ONNO NO dimer 1Agtrans C2H
541 ONNO NO dimer 1A1cis C2V
542 S2N2 Disulfur dinitride 1AGD2h
543 CS3-- Carbonotrithioate   
544 SO3 Sulfur trioxide 1A1'D3h
545 SO3-- Sulfate dianion   
546 S4 Sulfur tetramer   
547 S4 Sulfur tetramer   
548 S4 Sulfur tetramer   
549 HNO3 Nitric acid 1A'Cs
550 C3H2O Propadienal   
551 C3H2O Propadienal   
552 C2H2O2 Ethanedial 1AgC2h
553 C2H3NO Nitrosoethylene   
554 CH3NCO methylisocyante   
555 HOCH2CN cyanomethanol   
556 CH3NO2 Methane, nitro- 1A'Cs
557 H3AlO3 Aluminum hydroxide   
558 CH2CHCHO Acrolein 1A'Cs
559 CH2CHCHO Acrolein   
560 CH2C(OH)NH2 1-amino vinyl alchohol   
561 CH3C(OH)=NH Ethaninidic acid   
562 CH3CSNH2 Ethanethioamide   
563 C3H5OH Cyclopropanol 1AC1
564 C3H6O Acetone enol 1A'Cs
565 CH3CH2CHO Propanal 1A'Cs
566 CH3COCH3 Acetone 1A1C2v
567 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
568 C3H7OH 1-Propanol   
569 Li2F2 Lithium fluoride dimer   
570 FNO2 Nitryl fluoride 1A1C2v
571 FONO Nitrosyl hypofluorite 1A'CS cis
572 CF2O Carbonic difluoride 1A1C2v
573 CF2O+ Carbonic difluoride cation   
574 BF3+ boron trifluoride cation   
575 BClF2 Chlorodifluoroborane   
576 BCl3 Borane, trichloro- 1A1'D3h
577 BCl3+ Boron Trichloride cation   
578 GaF3 Gallium trifluoride 1A1'D3h
579 GaCl3 Gallium trichloride 1A1'D3h
580 CF2Cl difluorochloromethyl radical   
581 CFCl2 dichlorofluoromethyl radical   
582 CBr3 tribromomethyl radical   
583 ClO2F Chloryl fluoride 1A'Cs
584 SSCl2 Thiothionyl chloride   
585 NF3 Nitrogen trifluoride 1A1C3v
586 NCl3 nitrogen trichloride 1A1C3v
587 NBr3 Nitrogen Tribromide 1A1C3v
588 HClO3 Chloric Acid 1A'Cs
589 HClO3 Chloric Acid 1AC1
590 CHF3 Methane, trifluoro- 1A1C3v
591 SiHF3 trifluorosilane   
592 CHCl3 Chloroform 1A1C3v
593 CHBrF2 Methane, bromodifluoro- 1A'Cs
594 CHFClBr fluorochlorobromomethane 1AC1
595 CHBrCl2 Methane, bromodichloro- 1A'Cs
596 CHBr2F dibromofluoromethane   
597 NF3H+ protonated nitrogen trifluoride 1A1C3v
598 AsF3H+ Arsenic trifluoride, protonated   
599 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
600 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
601 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
602 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
603 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
604 C2H4F2 1,2-difluoroethane 1AgC2H anti
605 C2H4F2 1,2-difluoroethane 1AC2 gauche
606 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
607 CH2BrCH2Cl 1-bromo-2-chloroethane   
608 CH2BrCH2Cl 1-bromo-2-chloroethane   
609 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
610 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
611 CH2CHCH2F Allyl Fluoride   
612 CH2CHCH2F Allyl Fluoride   
613 CH3CHCHF trans-1-Fluoro-1-propene   
614 CH2FCH2OH 2-fluoroethanol   
615 CH2FCH2CH3 1-Fluoropropane 1A'Cs
616 CH2FCH2CH3 1-Fluoropropane   
617 CH3CHFCH3 2-Fluoropropane 1A'Cs
618 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
619 B5H9 pentaborane9   
620 C5H4 pentatetraene   
621 C5H6 Propellane 1A1D3h
622 C5H8 Bicyclo[1.1.1]pentane   
623 C3H4N2 2H-Imidazole 1A1C2v
624 C4H5N Pyrrole 1A1C2v
625 C4H6N+ pyrrole, beta-protonated 1A'Cs
626 C3O2 Carbon suboxide 1ΣGD∞h
627 B2O3 diboron trioxide   
628 B2O3 diboron trioxide   
629 CHOOCHO diformyl ether   
630 C3H3NO Isoxazole 1A'Cs
631 C3H3NS Thiazole   
632 C4H4O Furan 1A1C2
633 CH3COCCH 3-butyn-2-one 1A'Cs
634 C4H4Se selenophene   
635 CH3SO2NH2 methanesulfonamide 1A'Cs
636 CH2CHSCHCH2 Divinyl sulfide   
637 HCOOC2H5 Ethyl formate 1A'Cs
638 C2H6O2S Dimethyl sulfone 1A1C2v
639 C4H8S Thiophene, tetrahydro- 1AC1
640 C4H10O Ethoxy ethane 1A1C2v
641 C4H10O Methyl propyl ether 1AC1
642 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
643 C4H9SH 1-Butanethiol   
644 CF3Cl Methane, chlorotrifluoro- 1A1C3v
645 CF2Cl2 difluorodichloromethane 1A1C2v
646 CF3Br Bromotrifluoromethane 1A1C3v
647 GeF4 Germanium tetrafluoride 1A1Td
648 CCl4 Carbon tetrachloride 1A1Td
649 CBrCl2F bromodichlorofluoromethane   
650 CBr2ClF dibromochlorofluoromethane   
651 CBr2Cl2 dibromodichloromethane 1A1C2v
652 CBr3Cl tribromochloromethane 1A1C3v
653 SiBr4 Silicon tetrabromide 1A1Td
654 GeBr4 Germanium tetrabromide   
655 SF4 Sulfur tetrafluoride 1A1C2v
656 SeF4 Selenium tetrafluoride   
657 SCl4 Sulfur tetrachloride   
658 CH2ClCCCl 1,3-dichloropropyne   
659 CHCl2CCH 3,3-dichloropropyne   
660 CHCl2CHO dichloroacetaldehyde   
661 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
662 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
663 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
664 CH2FCH2CH2F 1,3-difluoropropane   
665 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
666 C2H2N2O Furazan   
667 NH3BF3 Amminetrifluoroboron 1A1C3v
668 C6H6 Prismane   
669 C6H6 1,2,4,5-Hexatetraene 1AgC2h
670 C6H6 Benzene 1A1gD6h
671 C6H6 Benzvalene 1A1C2v
672 C6H6 Dewar Benzene   
673 C6H7+ benzene, protonated 1A1C2v
674 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
675 MgSO4 Magnesium Sulfate 1A1C2v
676 N2O4 Dinitrogen tetroxide 1AgD2d
677 C3H2O3 vinylene carbonate   
678 C2H4O4 Formic acid dimer 1AGC2h
679 C5H6O 2H-Pyran   
680 C5H6O Pentadienal   
681 C4H6O2 γ–Butyrolactone 1AC1
682 C3H6O3 1,3,5-Trioxane 1A1C1
683 C3H6S3 1,3,5-Trithiane 1A1C3v
684 C4H8O2 Ethyl acetate 1A'Cs
685 C5H10O 3-Pentanone 1A1C2v
686 C4F2 difluorobutadiyne   
687 ClCOClCO Oxalyl chloride 1AGC2h
688 C2ClF3 Ethene, chlorotrifluoro-   
689 C2Br4 tetrabromoethene   
690 SiF5- silicon pentafluoride anion   
691 PF5 Phosphorus pentafluoride 1A1'D3h
692 CH2ClCCl3 1,1,1,2-tetrachloroethane   
693 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
694 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
695 C4H8O2 Butanoic acid 1AC1
696 C7H7 cycloheptatrienyl radical 2A2C2v
697 C7H7+ cycloheptatrienyl cation 1A1'D7h
698 CH(CN)3 tricyanomethane   
699 HN=C=C(CN)2 Dicyanoketenimine   
700 C5H4O2 furfural 1A'OCCO cis
701 C5H4O2 furfural 1A'OCCO trans
702 C7H10 Norbornene   
703 C6H12O Oxepane   
704 F2CCCF2 tetrafluoroallene   
705 SF6 Sulfur Hexafluoride 1A1GOh
706 CF3CHF2 pentafluoroethane 1A'Cs
707 C8H8 cubane 1A1GOh
708 S4N4 Tetrasulfur tetranitride   
709 C6H5CHO benzaldehyde 1A'Cs
710 C2Cl6 hexachloroethane 1A1gD3d
711 C6H4F2 1,4-difluorobenzene 1AgD2h
712 C6H4Cl2 1,4-dichlorobenzene   
713 C6H5NO nitrosobenzene 1A'Cs
714 C3F6 hexafluoropropene   
715 C8H18O 1-Octanol   
716 C10H10 bullvalene   
717 B12H12-- Dodecahydrododecaborate(2-)   
718 S2F10 disulphur decafluoride   
719 C13H10 Fluorene   
720 C14H14 Bibenzyl 1AC2
721 C6H5COC6H5 benzophenone 1AC2
722 C19H16 Triphenylmethane 1AC3

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 Al Aluminum atom al  
58 Sc Scandium atom sc  
59 Sc+ Scandium cation sc+  
60 BH Boron monohydride bh  
61 BH- boron monohydride anion bh-  
62 BH+ boron monohydride cation bh+  
63 AlH aluminum monohydride alh  
64 AlH- aluminum monohydride anion alh-  
65 AlH+ aluminum monohydride cation alh+  
66 ScH Scandium monohydride sch  
67 ScH+ Scandium monohydride cation sch+  
68 BH2 boron dihydride bh2  
69 BH2- boron dihydride anion bh2-  
70 BH2+ Boron dihydride cation bh2+  
71 AlH2 aluminum dihydride alh2  
72 AlH2- aluminum dihydride anion alh2-  
73 AlH2+ aluminum dihydride cation alh2+  
74 BH3 boron trihydride bh3  
75 BH3- boron trihydride anion bh3-  
76 AlH3 aluminum trihydride alh3  
77 AlH3+ aluminum trihydride cation alh3+  
78 ScH3 Scandium trihydride sch3  
79 GaH3 Gallium trihydride gah3  
80 BH4 borohydride bh4  
81 AlH4- Aluminum tetrahydride anion alh4-  
82 C- Carbon atom anion c-  
83 C+ Carbon atom cation c+  
84 Si Silicon atom si  
85 Si+ Silicon atom cation si+  
86 Ti Titanium atom ti  
87 Ti- Titanium atom anion ti-  
88 Ti+ Titanium atom cation ti+  
89 Sn Tin atom sn  
90 Sn+ Tin cation sn+  
91 CH- methylidyne anion ch-  
92 CH+ Methylidyne cation ch+  
93 SiH- silicon monohydride anion sih-  
94 SiH+ silicon monohydride cation sih+  
95 GeH+ Germaniun monohyrdide cation geh+  
96 CH2 Methylene ch2  
97 CH2+ methylene cation ch2+  
98 SiH2 silicon dihydride sih2  
99 SiH2- silicon dihydride anion sih2-  
100 SiH2+ silicon dihydride cation sih2+  
101 GeH2- germylene anion geh2-  
102 CH3- methyl anion ch3-  
103 CH3+ methyl cation ch3+  
104 SiH3- Silyl anion sih3-  
105 CD4 methane-d4 cd4  
106 CH2D2 methane-d2 ch2d2  
107 CH3D methane-d ch3d  
108 CH4- Methane anion ch4-  
109 CH4+ Methane cation ch4+  
110 CHD3 methane-d3 chd3  
111 SiH4+ Silane cation sih4+  
112 SnH4 Stannane snh4  
113 N- Nitrogen atom anion n-  
114 N+ Nitrogen atom cation n+  
115 P- Phosphorus atom anion p-  
116 P+ Phosphorus atom cation p+  
117 V Vanadium atom v  
118 Sb Antimony atom sb  
119 NH Imidogen nh  
120 NH- Imidogen anion nh-  
121 NH+ imidogen cation nh+  
122 PH- phosphorus monohydride anion ph-  
123 PH+ phosphorus monohydride cation ph+  
124 AsH+ Arsenic monohydride cation ash+  
125 SbH Antimony monohydride sbh  
126 ND2 Amidogen-d2 nd2  
127 NH2- amino anion nh2-  
128 PH2 Phosphino radical ph2  
129 PH2- Phosphino anion ph2-  
130 PH2+ Phosphino cation ph2+  
131 AsH2 Arsenic dihydride ash2  
132 AsH2+ Arsenic dihydride cation ash2+  
133 ND3 Ammonia-d3 nd3  
134 NH3- Ammonia anion nh3-  
135 NH3+ ammonia cation nh3+  
136 SbH3 Stibine sbh3  
137 O- Oxygen atom anion o-  
138 O+ Oxygen atom cation o+  
139 S Sulfur atom s  
140 S- Sulfur atom anion s-  
141 S+ Sulfur atom cation s+  
142 Cr Chromium atom cr  
143 Te Tellurium atom te  
144 Te+ Tellurium atom cation te+  
145 DO Hydroxyl-d od  
146 DS Mercapto-d ds  
147 HS Mercapto radical hs  
148 TeH Telluryl radical teh  
149 D2O Deuterium oxide d2o  
150 D2S Hydrogen sulfide-d2 d2s  
151 H2S- Hydrogen sulfide anion h2s-  
152 H2Te Hydrogen Telluride h2te  
153 Mn Manganese atom mn  
154 I Iodine atom iodine  
155 I- Iodine atom anion iodine-  
156 I+ Iodine atom cation iodine+  
157 DF Hydrofluoric acid-d df  
158 DCl Hydrochloric acid-d dcl  
159 HI Hydrogen iodide hi  
160 HI+ Hydrogen iodide cation hi+  
161 H2F+ dihydrogen fluoride cation h2f+  
162 H2I+ Iodonium h2i+  
163 Ne Neon atom ne  
164 Ne- Neon atom anion ne-  
165 Ne+ Neon atom cation ne+  
166 Ar Argon atom ar  
167 Ar- Argon atom anion ar-  
168 Ar+ Argon atom cation ar+  
169 Fe Iron atom fe  
170 Xe Xenon atom xe  
171 NeH neon hydrogen neh  
172 NeH+ neon hydrogen cation neh+  
173 XeH+ Xenon, protonated xeh+  
174 H2Ar H2 Ar dimer h2ar  
175 Co Cobalt atom cobalt  
176 Ni Nickel atom ni  
177 Li2 Lithium diatomic li2  
178 Li2- lithium diatomic anion li2-  
179 Li2+ lithium diatomic cation li2+  
180 NaLi- lithium sodium anion lina-  
181 NaLi+ lithium sodium cation lina+  
182 LiK Lithium Potassium lik  
183 NaK Sodium Potassium nak  
184 NaK+ Sodium Potassium diatomic cation nak+  
185 K2 Potassium diatomic k2  
186 Cu2 Copper diatomic cu2  
187 LiBe Lithium Beryllium libe  
188 LiMg Lithium magnesium limg  
189 NaBe Sodium Beryllium nabe  
190 NaMg Sodium Magnesium namg  
191 Be2 Beryllium diatomic be2  
192 Be2- Beryllium diatomic anion be2-  
193 Be2+ Beryllium diatomic cation be2+  
194 BeMg Beryllium Magnesium bemg  
195 Mg2 Magnesium diatomic mg2  
196 Mg2- magnesium diatomic anion mg2-  
197 Mg2+ magnesium diatomic cation mg2+  
198 Ca2 Calcium diatomic ca2  
199 LiB Lithium boride lib  
200 BeB Beryllium monoboride beb  
201 B2 Boron diatomic b2  
202 B2- Boron diatomic anion b2-  
203 B2+ Boron diatomic cation b2+  
204 BAl Boron Aluminum bal  
205 Al2 Aluminum diatomic al2  
206 Al2- aluminum diatomic anion al2-  
207 Al2+ aluminum diatomic cation al2+  
208 BGa Boron Gallium bga  
209 AlGa Aluminum Gallium alga  
210 Ga2 Gallium diatomic ga2  
211 LiBH4 Lithium borohydride libh4  
212 Al2H6 dialane al2h6  
213 Ga2H6 digallane ga2h6  
214 LiC Lithium Carbide lic  
215 BeC Beryllium Carbide bec  
216 CaC Calcium monocarbide cac  
217 BC boron monocarbide bc  
218 BC- boron monocarbide anion bc-  
219 BC+ boron monocarbide cation bc+  
220 AlC Aluminum carbide alc  
221 C2 Carbon diatomic c2  
222 C2- carbon diatomic anion c2-  
223 C2+ carbon diatomic cation c2+  
224 SiC silicon monocarbide sic  
225 SiC- silicon monocarbide anion sic-  
226 SiC+ silicon monocarbide cation sic+  
227 Si2 Silicon diatomic si2  
228 Si2- silcon diatomic anion si2-  
229 Si2+ silcon diatomic cation si2+  
230 Ge2 Germanium diatomic ge2  
231 C2H+ Ethynyl cation c2h+  
232 ZnCH2 Zinc methylene znch2  
233 CCH2 vinylidene vinylidene  
234 CuCH3 monomethyl copper cuch3  
235 ZnCH3 Zinc monomethyl znch3  
236 CH2BH methyleneborane ch2bh  
237 C2H3- vinyl anion c2h3-  
238 C2H4- Ethylene anion c2h4-  
239 CH3CH methylmethylene ch3ch  
240 CH2SiH2 silaethylene ch2sih2  
241 CH3BH2 methylborane ch3bh2  
242 C2H5- Ethyl anion c2h5-  
243 C2H5+ Ethyl cation c2h5+  
244 C2H6+ ethane cation c2h6+  
245 CH3SiH3 methyl silane ch3sih3  
246 GeH3CH3 methyl germane geh3ch3  
247 C2H7+ Ethane, protonated c2h7+  
248 LiN+ Lithium Nitride cation lin+  
249 BeN Beryllium mononitride ben  
250 BeN- Beryllium mononitride anion ben-  
251 BeN+ Beryllium mononitride cation ben+  
252 BN- boron nitride anion bn-  
253 AlN- aluminum mononitride anion aln-  
254 AlN+ aluminum mononitride cation aln+  
255 BP Boron monophosphide bp  
256 AlP Aluminum monophosphide alp  
257 GaN Gallium mononitride gan  
258 GaP Gallium monophosphide gap  
259 BN boron nitride bn  
260 BN+ boron nitride cation bn+  
261 AlN Aluminum nitride aln  
262 CN- cyanide anion cn-  
263 CN+ Cyano cation cn+  
264 CP Carbon monophosphide cp  
265 CP- carbon monophosphide anion cp-  
266 CP+ carbon monophosphide cation cp+  
267 SiN Silicon nitride sin  
268 SiN- silicon mononitride anion sin-  
269 SiN+ silicon mononitride cation sin+  
270 SiP- Silicon monophosphide anion sip-  
271 SiP+ Silicon monophosphide cation sip+  
272 TiN Titanium mononitride tin  
273 N2+ diatomic nitrogen cation n2+  
274 PN- phosphorus nitride anion pn-  
275 PN+ phosphorus nitride cation pn+  
276 P2 Phosphorus diatomic p2  
277 P2- phosphorus diatomic anion p2-  
278 P2+ phosphorus diatomic cation p2+  
279 AsN Arsenic mononitride asn  
280 AsP Arsenic monophosphide asp  
281 SbN Antimony nitride sbn  
282 As2 Arsenic diatomic as2  
283 HNB hydrogen nitrogen boron hnb  
284 HNC hydrogen isocyanide hnc  
285 HCN- Hydrogen cyanide anion hcn-  
286 HCP Phosphaethyne hcp  
287 NNH Dinitrogen monohydride nnh  
288 HPO Hydrogen phosphorus oxide hpo  
289 HPO+ Hydrogen phosphorus oxide cation hpo+  
290 CNH2 Aminomethylidyne radical cnh2  
291 CNH2+ N-protonated hydrogen isocyanide cnh2+  
292 H2CN Dihydrogen cyanide radical h2cn  
293 H2CN+ hydrocyanonium cation h2cn+  
294 HCNH methyleneazane hcnh  
295 HCNH+ N-protonated HCN hcnh+  
296 N2H2 (E)-diazene n2h2  
297 N2H2 (Z)-Diazene n2h2z  
298 CH2PH Phosphaethene ch3p  
299 CH2NH2+ methyleneamine cation ch2nh2+  
300 N2H4+ hydrazine cation n2h4+  
301 P2H4 Diphosphine p2h4  
302 CH3NH2+ methyl amine cation ch3nh2+  
303 CH3PH2 Methyl phosphine ch3ph2  
304 CH3NH3+ protonated methylamine ch3nh3+  
305 CH3PH3+ methyl phosphine, protonated ch3ph3+  
306 NH3NH3 Ammonia Dimer nh3nh3  
307 LiO lithium oxide lio  
308 LiO- lithium oxide anion lio-  
309 LiO+ lithium oxide cation lio+  
310 LiS Lithium monosulfide lis  
311 LiS+ Lithium sulfide cation lis+  
312 NaO sodium monoxide nao  
313 NaO- sodium oxide anion nao-  
314 NaO+ sodium oxide cation nao+  
315 KO Potassium monoxide ko  
316 KO+ Potassium monoxide cation ko+  
317 NaS Sodium sulfide nas  
318 CuO Copper Monoxide cuo  
319 BeO beryllium oxide beo  
320 BeO- Beryllium monoxide anion beo-  
321 BeO+ Beryllium monoxide cation beo+  
322 BeS beryllium sulfide bes  
323 MgO magnesium oxide mgo  
324 MgO- magnesium oxide anion mgo-  
325 MgO+ magnesium oxide cation mgo+  
326 CaO Calcium monoxide cao  
327 MgS magnesium sulfide mgs  
328 MgS- magnesium sulfide anion mgs-  
329 MgS+ magnesium sulfide cation mgs+  
330 CaS Calcium sulfide cas  
331 ZnO zinc monoxide zno  
332 ZnS Zinc sulfide zns  
333 BeS- Beryllium monosulfide anion bes-  
334 BeS+ Beryllium monosulfide cation bes+  
335 BO- boron monoxide anion bo-  
336 AlO Aluminum monoxide alo  
337 AlO- Aluminum monoxide anion alo-  
338 AlO+ aluminum monoxide cation alo+  
339 BS boron sulfide bs  
340 BS- boron monosulfide anion bs-  
341 BS+ boron monosulfide cation bs+  
342 AlS Aluminum sulfide als  
343 AlS- aluminum monosulfide anion als-  
344 AlS+ aluminum monosulfide cation als+  
345 ScO Scandium monoxide sco  
346 BO+ boron monoxide cation bo+  
347 CS carbon monosulfide cs  
348 CS- carbon monosulfide anion cs-  
349 CS+ carbon monosulfide cation cs+  
350 SiO- silicon monoxide anion sio-  
351 SiO+ silicon monoxide cation sio+  
352 SiS- silicon monosulfide anion sis-  
353 SiS+ silicon monosulfide cation sis+  
354 TiO Titanium monoxide tio  
355 CSe- Carbon monoselenide anion cse-  
356 CSe+ Carbon monoselenide cation cse+  
357 GeO+ Germanium monoxide cation geo+  
358 GeS Germanium monosulfide ges  
359 NS Mononitrogen monosulfide ns  
360 NS- nitrogen sulfide anion ns-  
361 NS+ nitrogen sulfide cation ns+  
362 PO- phosphorus monoxide anion po-  
363 PO+ phosphorus monoxide cation po+  
364 PS- phosphorus monosulfide anion ps-  
365 PS+ phosphorus monosulfide cation ps+  
366 VO Vanadium monoxide vo  
367 AsO Arsenic monoxide aso  
368 O2+ diatomic oxygen cation o2+  
369 SO- sulfur monoxide anion so-  
370 S2- sulfur diatomic anion s2-  
371 S2+ sulfur diatomic cation s2+  
372 SeO- selenium monoxide anion seo-  
373 SeO+ selenium monoxide cation seo+  
374 SeS Selenium monosulfide ses  
375 SeS- selenium monosulfide anion ses-  
376 SeS+ selenium monosulfide cation ses+  
377 TeO Tellurium monoxide teo  
378 Se2- selenium diatomic anion se2-  
379 Se2+ selenium diatomic cation se2+  
380 Te2 Tellurium diatomic te2  
381 NaOH sodium hydroxide naoh  
382 KOH Potassium hydroxide koh  
383 MgOH magnesium hydroxide mgoh  
384 CaOH Calcium monohydroxide caoh  
385 COH+ Carbon Monoxide, protonated coh+  
386 HCS Thioformyl radical hcs  
387 HCS- Thioformyl anion hcs-  
388 HCS+ Thioformyl cation hcs+  
389 HNO- Nitrosyl hydride anion hno-  
390 NOH Hydroxyimidogen noh  
391 NOH+ O-protonated nitric oxide noh+  
392 HNS Sulfur imide hns  
393 HNS- Sulfur imide anion hns-  
394 HO2 Hydroperoxy radical ho2  
395 HO2- Hydroperoxy anion ho2-  
396 HS2 Thiosulfeno radical hs2  
397 HOCH hydroxycarbene hoch  
398 H2NO nitroxide h2no  
399 H2O2+ Hydrogen peroxide cation h2o2+  
400 CH2OH Hydroxymethyl radical ch2oh  
401 CH3O Methoxy radical ch3o  
402 CH3O+ Methoxy cation ch3o+  
403 CH3S thiomethoxy ch3s  
404 H2CSH+ Thioformaldehyde, protonated h2csh+  
405 NH3O Ammonia Oxide nh3o  
406 H2POH Phosphinous acid h2poh  
407 H3PO Phosphine oxide h3po  
408 H3O2+ hydrogen peroxide, protonated h3o2+  
409 CH3OH- Methyl alcohol anion ch3oh-  
410 CH3SH+ Methanethiol cation ch3sh+  
411 CH3SeH Methane selenol ch3seh  
412 H2OH2O water dimer h2oh2o  
413 CH3OH2+ Methanol, protonated ch3oh2+  
414 H2ONH3 Water Ammonia Dimer h2onh3  
415 LiCl- lithium chloride anion licl-  
416 LiCl+ lithium chloride cation licl+  
417 NaF sodium fluoride naf  
418 NaF- sodium fluoride anion naf-  
419 KF Potassium Fluoride kf  
420 NaCl Sodium Chloride nacl  
421 NaCl- sodium chloride anion nacl-  
422 NaCl+ sodium chloride cation nacl+  
423 KCl Potassium Chloride kcl  
424 CuF Copper monofluoride cuf  
425 LiBr- lithium bromide anion libr-  
426 LiBr+ lithium bromide cation libr+  
427 CuCl Copper monochloride cucl  
428 NaBr Sodium Bromide nabr  
429 NaBr- sodium bromide anion nabr-  
430 NaBr+ sodium bromide cation nabr+  
431 KBr Potassium Bromide kbr  
432 LiI Lithium Iodide lii  
433 NaI Sodium Iodide nai  
434 KI Potassium Iodide ki  
435 LiF- lithium fluoride anion lif-  
436 BeF Beryllium monofluoride bef  
437 BeF- Beryllium monofluoride anion bef-  
438 BeF+ Beryllium monofluoride cation bef+  
439 BeCl beryllium monochloride becl  
440 MgF Magnesium monofluoride mgf  
441 MgF- magnesium fluoride anion mgf-  
442 MgF+ magnesium fluoride cation mgf+  
443 CaF Calcium monofluoride caf  
444 MgCl magnesium monochloride mgcl  
445 MgCl- magnesium monochloride anion mgcl-  
446 MgCl+ magnesium monochloride cation mgcl+  
447 CaCl calcium monochloride cacl  
448 TiCl Titanium Monochloride ticl  
449 ZnF Zinc monofluoride znf  
450 ZnF- Zinc monofluoride anion znf-  
451 ZnF+ Zinc monofluoride cation znf+  
452 ZnCl Zinc monochloride zncl  
453 CaBr Calcium monobromide cabr  
454 BeCl- beryllium monochloride anion becl-  
455 BeCl+ beryllium monochloride cation becl+  
456 BF- Boron monofluoride anion bf-  
457 BF+ Boron monofluoride cation bf+  
458 AlF- Aluminum monofluoride anion alf-  
459 AlF+ Aluminum monofluoride cation alf+  
460 BCl boron monochloride bcl  
461 BCl- boron monochloride anion bcl-  
462 BCl+ boron monochloride cation bcl+  
463 AlCl Aluminum monochloride alcl  
464 AlCl- aluminum monochloride anion alcl-  
465 AlCl+ aluminum monochloride cation alcl+  
466 ScF Scandium monofluoride scf  
467 BBr Boron monobromide bbr  
468 GaF+ Gallium monofluoride cation gaf+  
469 GaCl+ Gallium monochloride cation gacl+  
470 AlI Aluminum monoiodide ali  
471 CF- carbon monofluoride anion cf-  
472 CF+ carbon monofluoride cation cf+  
473 CCl carbon monochloride ccl  
474 CCl- carbon monochloride anion ccl-  
475 CCl+ carbon monochloride cation ccl+  
476 SiF silicon monofluoride sif  
477 SiF- silicon monofluoride anion sif-  
478 SiF+ silicon monofluoride cation sif+  
479 SiCl- silicon monochloride anion sicl-  
480 SiCl+ silicon monochloride cation sicl+  
481 NF nitrogen fluoride nf  
482 NF- nitrogen monofluorine anion nf-  
483 NF+ nitrogen monofluoirde cation nf+  
484 NCl- nitrogen monochloride anion ncl-  
485 NCl+ nitrogen monochloride cation ncl+  
486 PF phosphorus monofluoride pf  
487 PF- phosphorus monofluoride anion pf-  
488 PF+ phosphorus monofluoride cation pf+  
489 PCl phosphorus chloride pcl  
490 PCl- phosphorus monochloride anion pcl-  
491 PCl+ phosphorus monochloride cation pcl+  
492 AsF Arsenic monofluoride asf  
493 NBr nitrogen monobromide nbr  
494 SbF Antimony monofluoride sbf  
495 SbCl Antimony monochloride sbcl  
496 FO Oxygen monofluoride fo  
497 FO- flourine oxide anion fo-  
498 FO+ fluorine monoxide cation fo+  
499 ClO- chlorine monoxide anion clo-  
500 SF- sulfur monofluoride anion sf-  
501 SCl sulfur monochloride scl  
502 SCl- sulfur monochloride anion scl-  
503 BrO- Bromine monoxide anion bro-  
504 SeF Selenium monofluoride sef  
505 IO Iodine monoxide io  
506 ClF- clorine monofluoride anion clf-  
507 Cl2 Chlorine diatomic cl2  
508 Cl2- chlorine diatomic anion cl2-  
509 BrF- bromine fluoride anion brf-  
510 BrF+ bromine fluoride cation brf+  
511 BrCl- bromine chloride anion brcl-  
512 BrCl+ bromine chloride cation brcl+  
513 IF Iodine monofluoride if  
514 ICl Iodine monochloride icl  
515 IBr Iodine monobromide ibr  
516 I2 Iodine diatomic i2  
517 I2+ Iodine diatomic cation i2+  
518 HCCl Chloromethylene hccl  
519 CHBr bromomethylene chbr  
520 DOCl Hypochlorous acid-d docl  
521 HOBr Hypobromous acid hobr  
522 HOBr+ Hypobromous acid cation hobr+  
523 HOI Hypoiodous acid hoi  
524 FHF Hydrogen difluoride fhf  
525 FHF- Hydrogen difluoride anion fhf-  
526 NH2F monofluoroamine nh2f  
527 H2F2 Hydrogen fluoride dimer h2f2  
528 CD3F methylfluoride-d3 cd3f  
529 CD3Cl methyl chloride d3 cd3cl  
530 CH3I methyl iodide ch3i  
531 SiH3I Silyl Iodide sih3i  
532 Ne2 Neon diatomic ne2  
533 Ne2+ Neon diatomic cation ne2+  
534 Ar2+ Argon diatomic cation ar2+  
535 Li3 Lithium trimer li3  
536 Li3+ Lithium trimer cation li3+  
537 C3+ carbon trimer cation c3+  
538 C3H3 cyclopropenyl radical cpr  
539 C3H3 Propargyl radical propargyl  
540 C3H3- Propargyl anion c3h3-  
541 C3H3+ cyclopropenyl cation cpr+  
542 C3H3+ Propargyl cation c3h3+  
543 C3H5 Allyl radical allyl  
544 C3H5+ Allyl cation allyl+  
545 CH3CHCH 1-propenyl radical ch3chch  
546 Zn(CH3)2 dimethyl zinc dmz  
547 SiH2(CH3)2 dimethylsilane dms  
548 NaCN Sodium Cyanide nacn  
549 KCN Potassium cyanide kcn  
550 CuCN Copper cyanide cucn  
551 CN2 3H-Diazirin-3-ylidene cn2  
552 NCN Cyanoimidogen ncn  
553 N3- azide anion n3-  
554 HCCN cyanomethylene hccn  
555 HCNN diazomethyl radical hcnn  
556 CH2N2 diazirine ch2n2  
557 CH2NN diazomethane ch2nn  
558 NH2CN cyanamide cyanamide  
559 CH3CN+ Acetonitrile cation ch3cn+  
560 CH3NC methyl isocyanide ch3nc  
561 HNCNH2+ diiminomethane, protonated hncnh2+  
562 NCNH3+ Cyanamide, protonated ncnh3+  
563 CH2CHNH vinylazine ch2chnh  
564 CH3CHN methylmethaniminyl radical ch3chn  
565 NHCHNH2 aminomethanimine cn2h4  
566 C2H5N Aziridine c2h5n  
567 CH2CHNH2 aminoethene aminoethene  
568 CH2NCH3 N-methylmethanimine nmm  
569 CH3CHNH ethanimine ethanimine  
570 NH2BHNH2 diaminoborane nh2bhnh2  
571 C2H5NH+ Protonated Aziridine c2h5nh+  
572 NH2CH2NH2 diaminomethane nh2ch2nh2  
573 CH3NHCH3 Dimethylamine ch3nhch3  
574 NH2CH2NH3+ diaminoethane, protonated pdam  
575 (CH3)2NH2+ dimethylammonium cation dmam  
576 CH3CH2NH3+ ethylamine, protonated pea  
577 Li2O+ dilithium oxide cation li2o+  
578 Li2S dilithium sulfide li2s  
579 CCO Dicarbon monoxide cco  
580 CNO- fulminate cno-  
581 NCO- cyanate nco-  
582 SCN thiocyanato radical scn  
583 SCN- thiocyanide anion scn-  
584 BO2 Boron dioxide bo2  
585 BO2- Boron dioxide anion bo2-  
586 BO2+ Boron dioxide cation bo2+  
587 N2O- Nitrous oxide anion n2o-  
588 N2O+ Nitrous oxide cation n2o+  
589 NNS Nitrogen sulfide nns  
590 PPO Phosphorus oxide phosphide ppo  
591 CO2- Carbon dioxide anion co2-  
592 CO2+ Carbon dioxide cation co2+  
593 OCS+ Carbonyl sulfide cation cos+  
594 SiO2 silicon dioxide sio2  
595 CS2- Carbon disulfide anion cs2-  
596 CS2+ Carbon disulfide cation cs2+  
597 TiO2 Titanium dioxide tio2  
598 SiS2 Silicon disulfide sis2  
599 GeS2 Germanium disulfide ges2  
600 CSe2 Carbon diselenide cse2  
601 SCTe Carbon sulfide Telluride scte  
602 NO2- Nitrogen dioxide anion no2-  
603 PO2 Phosphorus dioxide po2  
604 PO2- Phosphorus dioxide anion po2-  
605 PO2+ Phosphorus dioxide cation po2+  
606 AsO2 Aresenic dioxide aso2  
607 O3- Ozone anion o3-  
608 O3+ Ozone cation o3+  
609 SO2- Sulfur dioxide anion so2-  
610 SO2+ Sulfur dioxide cation so2+  
611 S3- Sulfur trimer anion s3-  
612 S3+ Sulfur trimer cation s3+  
613 SeO2+ Selenium dioxide cation seo2+  
614 TeO2 Tellurium Dioxide teo2  
615 CS2H+ Carbon disulfide, protonated cs2h+  
616 HNCO Isocyanic acid hnco  
617 HOCN cyanic acid hocn  
618 HCO2- formate anion hco2-  
619 HNNO nitrosoazane hnno  
620 HNNO+ Nitrous oxide, N-protonated hnno+  
621 NNOH+ Nitrous Oxide, O-protonated nnoh+  
622 HCOO formate neutral radical hcoo  
623 HOCO+ Hydrocarboxyl cation hoco+  
624 HNO2 Nitrous acid hno2  
625 HNO2+ nitrous acid cation hno2+  
626 CH2CO+ Ketene cation ch2co+  
627 HCCOH ethynol hccoh  
628 Mg(OH)2 Magnesium dihydroxide h2mgo2  
629 NH2NO Nitrosamide nh2no  
630 CH2O2 Dioxirane diox  
631 H2O3 Hydrogen trioxide h2o3  
632 HSSSH trisulfane hsssh  
633 NaOCH3 Sodium methoxide naoch3  
634 CH2BOH hydroxy(methylene)borane ch2boh  
635 CH3BO Borane, methyloxo- ch3bo  
636 CH2CHO Vinyloxy radical ch2cho  
637 CH3CO Acetyl radical ch3co  
638 CH3CO- Acetyl anion ch3co-  
639 CH3CO+ acetyl cation ch3co+  
640 CH2NOH formaldoxime ch2noh  
641 CH3NO nitrosomethane ch3no  
642 CHONH2 formamide formamide  
643 CNOH3 1,2-oxaziridine cnoh3  
644 CH2OOH CH2OOH radical ch2ooh  
645 CH3OO methylperoxy radical ch3oo  
646 CH3OO- methylperoxy anion ch3oo-  
647 CH3OO+ methylperoxy cation ch3oo+  
648 CH2CHOH ethenol ch2choh  
649 H2CONH2+ protonated formamide h2conh2+  
650 NH3CHO+ Formamide, N-Protonated nh3cho+  
651 CH2(OH)2 methanediol ch2o2h2  
652 CH3OOH Methyl peroxide ch3ooh  
653 H2OH2CO water formaldehyde dimer h2oh2co  
654 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
655 CH3CH2O Ethoxy radical ethoxy  
656 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
657 CH3CHOH+ acetaldehyde, protonated ch3choh+  
658 CH3OCH2 methoxymethyl radical ch3och2  
659 CH3OHH2O methanol water dimer ch3ohh2o  
660 H2OCH3OH water methanol dimer h2och3oh  
661 CuF2 Copper difluoride cuf2  
662 ZnF2 Zinc difluoride znf2  
663 FCN Cyanogen fluoride fcn  
664 ClCN chlorocyanogen clcn  
665 ICN Cyanogen iodide icn  
666 BeF2 Beryllium fluoride bef2  
667 MgF2 Magnesium fluoride mgf2  
668 BeCl2 Beryllium chloride becl2  
669 MgCl2 Magnesium dichloride mgcl2  
670 CaCl2 Calcium Chloride cacl2  
671 ZnCl2 Zinc dichloride zncl2  
672 CaBr2 Calcium dibromide cabr2  
673 CaF2 Calcium difluoride caf2  
674 FCO Carbonyl fluoride fco  
675 FCO+ Carbonyl fluoride cation fco+  
676 ClCO carbonyl monochloride clco  
677 BrNO Nitrosyl bromide brno  
678 INO Nitrosyl iodide ino  
679 CF2- Difluoromethylene anion cf2-  
680 CF2+ Difluoromethylene cation cf2+  
681 SiF2+ Silicon difluoride cation sif2+  
682 CCl2 dichloromethylene ccl2  
683 CCl2- dichloromethylene anion ccl2-  
684 CCl2+ dichloromethylene cation ccl2+  
685 SiCl2 Dichlorosilylene sicl2  
686 GeF2 Germanium difluoride gef2  
687 FOO Dioxygen monofluoride radical foo  
688 ClOO chloroperoxy radical cloo  
689 ClOO+ chloroperoxy cation cloo+  
690 OClO+ Chlorine dioxide cation oclo+  
691 ClS2 Sulfur chloride cls2  
692 NF2 Difluoroamino radical nf2  
693 NF2+ Difluoroamino cation nf2+  
694 F2O Difluorine monoxide f2o  
695 SF2- sulfur difluoride anion sf2-  
696 SF2+ sulfur difluoride cation sf2+  
697 Cl2O Dichlorine monoxide cl2o  
698 SCl2 Sulfur dichloride scl2  
699 BrOCl Bromine hypochlorite brocl  
700 BrOBr Bromine oxide brobr  
701 F3- trifluoride anion f3-  
702 Cl3- trichloride anion cl3-  
703 I3- triiodide i3-  
704 HCCF+ fluoroacetylene cation hccf+  
705 HCCCl Chloroacetylene hcccl  
706 HFCO formyl fluoride hfco  
707 HFCO+ formyl fluoride cation hfco+  
708 COHCl Formyl chloride cohcl  
709 COHBr Formyl bromide cohbr  
710 BHF2 Difluoroborane bhf2  
711 BHCl2 Borane, dichloro- bhcl2  
712 CHCl2 dichloromethyl radical chcl2  
713 HOClO Chlorous acid hoclo  
714 CH2FCl fluorochloromethane ch2fcl  
715 CH2FI fluoroiodomethane ch2fi  
716 CH2ClI chloroiodomethane ch2cli  
717 CH2BrI bromoiodomethane ch2bri  
718 CH2I2 Diiodomethane ch2i2  
719 SiH2Cl2 dichlorosilane sih2cl2  
720 CH2CHF+ fluoroethene cation ch2chf+  
721 C2H3Cl Ethene, chloro- ch2chcl  
722 C2H3Br vinyl bromide c2h3br  
723 C2H3I Vinyl iodide c2h3i  
724 CH3OCl methyl hypochlorite ch3ocl  
725 C2H5F fluoroethane c2h5f  
726 CH3CH2Cl Ethyl chloride c2h5cl  
727 CH3SiFH2 fluoromethylsilane ch3sifh2  
728 C2H5I Ethyl iodide c2h5i  
729 KrF2 Krypton difluoride krf2  
730 XeF2 Xenon difluoride xef2  
731 B4H10 Tetraborane(10) b4h10  
732 C4+ Carbon tetramer cation c4+  
733 C4H2 Diacetylene c4h2  
734 C2H3CCH 1-Buten-3-yne c2h3cch  
735 C4H4 cyclobutadiene cbd  
736 H2CCCCH2 Butatriene h2cccch2  
737 C4H6 Cyclobutene c822355  
738 C4H6 Methylenecyclopropane c6142730  
739 CH2CCHCH3 1,2-Butadiene butad12  
740 CH2CHCHCH2 1,3-Butadiene c106990  
741 CH3CCCH3 2-Butyne c503173  
742 CHCCH2CH3 1-Butyne c107006  
743 CH3CHCHCH2 methylallyl radical c4h7  
744 C4H8 methylcyclopropane mcp  
745 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
746 CH3CHCHCH3 2-Butene, (E)- bute2e  
747 CH3CHCHCH3 2-Butene, (Z)- bute2z  
748 B(CH3)3 trimethylborane bme3  
749 Al(CH3)3 trimethyl aluminum tma  
750 C(CH3)3 Tert-butyl radical tbutyl  
751 CH2CH(CH3)2 Isobutyl radical isobutyl  
752 CH3CHCH2CH3 2-Butyl radical butyl2  
753 CH3CH(CH3)CH3 Isobutane isobutane  
754 SiH(CH3)3 trimethylsilane trimsi  
755 Li3N trilithium nitride li3n  
756 C2N2 Cyanogen c2n2  
757 C2N2+ Cyanogen cation c2n2+  
758 P4 Phosphorus tetramer p4  
759 HCCCN Cyanoacetylene hcccn  
760 C3H3N acrylonitrile ch2chcn  
761 C3H3N+ acrylonitrile cation ch2chcn+  
762 CH3N3 methyl azide ch3n3  
763 CH3NHN2+ methyl azide, protonated ch3nhn2+  
764 CH5N3 Guanidine guanidine  
765 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
766 CH6N3+ guanidinium ch6n3+  
767 C3H7N Cyclopropylamine cpram  
768 C3H7N Azetidine azet  
769 C4H8 cyclobutane cbutane  
770 C2H8N2 Ethylenediamine ethdiam  
771 CH3NHNHCH3 dimethyl hydrazine dmh  
772 CH3CH(NH2)CH3 2-Propanamine pram2  
773 N(CH3)3 Trimethylamine trimeam  
774 P(CH3)3 trimethylphosphine tmp  
775 As(CH3)3 trimethyl arsine tmas  
776 Li2O2 dilithium dioxide li2o2  
777 Na2O2 disodium dioxide na2o2  
778 K2O2 dipotassium dioxide k2o2  
779 B2O2 Diboron dioxide b2o2  
780 CO3 Carbon trioxide co3  
781 CO3-- carbonate co3--  
782 NO3 Nitrogen trioxide no3  
783 NO3- nitrate anion no3-  
784 NO3+ nitrogen trioxide cation no3+  
785 SO3- Sulfur trioxide anion so3-  
786 SO3+ Sulfur trioxide cation so3+  
787 SeO3 selenium trioxide seo3  
788 TeO3 Tellurium trioxide teo3  
789 HCO3- bicarbonate anion hco3-  
790 HSO3 Hydroxysulfonyl radical hso3  
791 NH2NO2 nitramide nh2no2  
792 C2H2CO cyclopropenone c2h2co  
793 HCCCHO 2-propynal hcccho  
794 C2H2O2+ Ethanedial cation c2h2o2+  
795 H2CO3 Carbonic acid h2co3  
796 H2CS3 thiocarbonic acid h2cs3  
797 H2NO3+ Nitric Acid, Protonated h2no3+  
798 H2SO3 Sulfurous acid h2so3  
799 CH3COO- acetate anion ch3coo-  
800 CH3ONO Methyl nitrite ch3ono  
801 NH2COOH Carbamic acid nh2cooh  
802 H3BO3 Boric acid h3bo3  
803 H3CO3+ carbonic acid, protonated h3co3+  
804 C3H4O 2-Propyn-1-ol c107197  
805 C3H4O allenol c9000071  
806 C3H4O Cyclopropanone cpone  
807 C3H4O Methylketene c6004440  
808 NH2CONH2 Urea urea  
809 NH2CONH2+ Urea cation urea+  
810 NH2CSNH2 Thiourea thiourea  
811 C2H4O2 1,3-dioxetane c2h4o2  
812 CH3COOH Acetic acid ch3cooh  
813 CH3OCHO methyl formate ch3ocho  
814 CHOCH2OH hydroxy acetaldehyde haa  
815 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
816 NH3COOH+ protonated Carbamic acid nh3cooh+  
817 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
818 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
819 HCOOHH2O Formic acid water dimer hcoohh2o  
820 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
821 CH3COCH2 Acetonyl radical ch3coch2  
822 CH3CHNOH Acetaldoxime acetaldoxime  
823 CH3CONH2 Acetamide acetamide  
824 HCONHCH3 N-methylformamide nmfa  
825 CH5N2O+ urea, N-protonated ch4n2o+  
826 H2NCOHNH2+ urea, protonated ureah+  
827 C2H5OO ethylperoxy radical c2h5oo  
828 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
829 C3H6O 2-Propen-1-ol c107186  
830 C3H6O Oxetane oxetane  
831 C3H6O Propylene oxide prox  
832 CH3COCH3- acetone anion ch3coch3-  
833 C3H6S Thietane thietane  
834 C3H6S Thiirane, methyl- methiirane  
835 CH3CSCH3 Thioacetone ch3csch3  
836 C2H6O2 1,2-Ethanediol ethdiol  
837 CH3OOCH3 dimethylperoxide dmp  
838 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
839 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
840 CH3COHCH3+ acetone, protonated acetoneh+  
841 HOCH2CH2NH2 monoethanolamine mea  
842 CH3CHOHCH3 Isopropyl alcohol isoproh  
843 CH3OC2H5 Ethane, methoxy- etome  
844 C3H7SH 1-Propanethiol prsh  
845 CH3CHSHCH3 2-Propanethiol isoprsh  
846 CH3SCH2CH3 Ethane, (methylthio)- etsme  
847 H2OCH3OCH3 water dimethylether dimer h2och3och3  
848 Na2F2 Sodium Fluoride Dimer na2f2  
849 Na2Cl2 Disodium dichloride na2cl2  
850 C2F2 difluoroacetylene c2f2  
851 C2Cl2 dichloroacetylene c2cl2  
852 C2Cl2+ dichloroacetylene cation c2cl2+  
853 ClNO2 Nitryl chloride clno2  
854 ClONO chlorine nitrite clono  
855 BrONO Bromine nitrite brono  
856 N2F2 (Z)-Difluorodiazene n2f2_z  
857 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
858 COFCl Carbonic chloride fluoride cofcl  
859 CCl2O Phosgene cl2co  
860 Cl2CS Thiophosgene cl2cs  
861 COBr2 Carbonic dibromide cobr2  
862 BF3 Borane, trifluoro- bf3  
863 BF3- Borane, trifluoro- anion bf3-  
864 AlF3 Aluminum trifluoride alf3  
865 AlF2Cl Aluminum chloride difluoride alclf2  
866 ScF3 Scandium trifluoride ScF3  
867 AlFCl2 Aluminum dichloride fluoride alcl2f  
868 AlCl3 Aluminum trichloride alcl3  
869 BBr3 Boron tribromide bbr3  
870 AlBr3 Aluminum Bromide albr3  
871 ClO3 Chlorine trioxide clo3  
872 ClO3- chlorate anion clo3-  
873 BrO3- Bromate anion bro3-  
874 CF3 Trifluoromethyl radical cf3  
875 CF3- Trifluoromethyl anion cf3-  
876 CF3+ Trifluoromethyl cation cf3+  
877 SiF3 Silicon trifluoride radical sif3  
878 SiF3+ Silicon trifluoride cation sif3+  
879 CCl3 Trichloromethyl radical ccl3  
880 CCl3- Trichloromethyl anion ccl3-  
881 CCl3+ Trichloromethyl cation ccl3+  
882 SiCl3 trichlorosilyl radical sicl3  
883 SiCl3+ trichlorosilyl cation sicl3+  
884 FOOF Perfluoroperoxide foof  
885 F2SO Thionyl Fluoride f2so  
886 ClOOCl Dichlorine dioxide cloocl  
887 FSSF Difluorodisulfane fssf  
888 S2F2 Thio-thionyl fluoride s2f2  
889 SOCl2 thionyl chloride socl2  
890 SeOCl2 selenium oxychloride seocl2  
891 NF3- Nitrogen trifluoride anion nf3-  
892 NF3+ Nitrogen trifluoride cation nf3+  
893 PF3 Phosphorus trifluoride pf3  
894 AsF3 Arsenic trifluoride asf3  
895 PCl3 Phosphorus trichloride pcl3  
896 SbF3 Antimony Trifluoride sbf3  
897 AsCl3 Arsenous trichloride ascl3  
898 SbCl3 Antimony Trichloride sbcl3  
899 PBr3 Phosphorus tribromide pbr3  
900 AsBr3 Arsenic tribromide asbr3  
901 NI3 Nitrogen triiodide ni3  
902 PI3 Phosphorus triiodide pi3  
903 ClSSCl Disulfur dichloride s2cl2  
904 SF3 Sulfur trifluoride sf3  
905 ClF3 Chlorine trifluoride clf3  
906 BrF3 Bromine trifluoride brf3  
907 IF3 iodone trifluoride if3  
908 CHF2Cl difluorochloromethane chf2cl  
909 CHFCl2 fluorodichloromethane chfcl2  
910 CDCl3 trichloromethane-d cdcl3  
911 SiHCl3 Trichlorosilane sihcl3  
912 CHF2I difluoroiodomethane chf2i  
913 CHFClI fluorochloroiodomethane chfcli  
914 CHCl2I dichloroiodomethane chcl2i  
915 CHClBr2 Methane, dibromochloro- chclbr2  
916 CHBr3 bromoform chbr3  
917 CHI3 Iodoform chi3  
918 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
919 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
920 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
921 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
922 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
923 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
924 C2H2Br2 1,1-dibromoethene c2h2br2  
925 CH2FCHO Fluoroacetaldehyde ch2fcho  
926 CH3COF Acetyl fluoride ch3cof  
927 CH2ClCHO chloroacetaldehyde ch2clcho  
928 CH3COCl Acetyl Chloride ch3cocl  
929 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
930 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
931 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
932 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
933 CH2CFCH3 2-fluoropropene 2fpro  
934 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
935 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
936 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
937 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
938 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
939 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
940 CH3CH2CH2Br n-propyl bromide prbr  
941 CH3CHBrCH3 i-propyl bromide iprbr  
942 C3H9O+ trimethyl oxonium cation c3h9o+  
943 C5H5 cyclopentadienyl radical c5h5  
944 C5H5- cylopentadienyl anion c5h5-  
945 C5H6 1,3-Cyclopentadiene c542927  
946 C5H6 1-Buten-3-yne, 2-methyl- c78808  
947 C5H6 3-Penten-1-yne, (E)- c2004695  
948 C5H6 3-Penten-1-yne, (Z)- c1574409  
949 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
950 C5H6 Cyclopropylacetylene c6746947  
951 C5H7 1,3-pentadienyl radical pdyl  
952 C5H7 cyclopentenyl radical cpyl  
953 C5H8 1,2-Butadiene, 3-methyl- c598254  
954 C5H8 1,2-Pentadiene c591957  
955 C5H8 1,3-Butadiene, 2-methyl- c78795  
956 C5H8 1,3-Pentadiene, (E)- c2004708  
957 C5H8 1,3-Pentadiene, (Z)- c1574410  
958 C5H8 1,4-Pentadiene c591935  
959 C5H8 1-pentyne a1pentyne  
960 C5H8 2,3-Pentadiene c591968  
961 C5H8 Cyclobutane, methylene- c1120565  
962 C5H8 Cyclopentene c142290  
963 C5H8 Ethenylcyclopropane c693867  
964 CH3CCCH2CH3 2-Pentyne 2pentyne  
965 C5H10 1-Butene, 2-methyl- c563462  
966 C5H10 2-Butene, 2-methyl- c513359  
967 C5H10 2-Pentene, (E)- c646048  
968 C5H10 2-Pentene, (Z)- c627203  
969 C5H10 Cyclopentane c287923  
970 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
971 CH2CHCH2CH2CH3 1-pentene pentene  
972 C5H11 2-Methylbut-2-yl radical c4348350  
973 C5H12 Butane, 2-methyl- buta2  
974 C5H12 Pentane pentane  
975 C5H12 Propane, 2,2-dimethyl- neopentane  
976 Si(CH3)4 tetramethylsilane tms  
977 N2O3 Dinitrogen trioxide n2o3  
978 C3H2N2 Malononitrile c3h2n2  
979 CH2N4 1H-Tetrazole 1htz  
980 C3H3N2 imidazolyl radical im  
981 C3H3N2- imidizolyl anion im-  
982 C2H3N3 1H-1,2,4-Triazole c288880  
983 C4H4N pyrrolide radical c4h4n  
984 C4H4N- pyrrolide anion c4h4n-  
985 C3H4N2 1H-Imidazole 1himidaz  
986 C3H4N2 1H-Pyrazole 1hpyraz  
987 C3H4N2 4H-Imidazole imid4h  
988 C4H5N (E)-2-Butenenitrile c627269  
989 C4H5N (Z)-2-Butenenitrile c1190767  
990 C4H5N 2H-pyrrole pyrrole2  
991 C4H5N 3H-pyrrole pyrrole3  
992 C4H5N Cyclopropanecarbonitrile c5500210  
993 CH2CHCH2CN Allylcyanide ch2chch2cn  
994 C4H6N+ pyrrole, alpha-protonated appyr  
995 C4H6N+ pyrrole, protonated ppyr  
996 C3H6N2 3-Aminopropionitrile c151188  
997 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
998 CH3CH2CH2CN Butanenitrile c109740  
999 C5H8 Bicyclo[2.1.0]pentane c185944  
1000 C5H8 Spiropentane c157404  
1001 C4H9N Cyclobutylamine cbam  
1002 C4H9N Pyrrolidine pyrrolidine  
1003 C3H10N2 1,2-Diaminopropane diampr12  
1004 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1005 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1006 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1007 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1008 NH(C2H5)2 diethylamine dea  
1009 NC4H12+ tetramethyl ammonium cation nc4h12+  
1010 C3O2+ Carbon suboxide cation c3o2+  
1011 MgCO3 Magnesium Carbonate mgco3  
1012 BeCO3 Beryllium Carbonate beco3  
1013 CaCO3 Calcium Carbonate caco3  
1014 ONONO Nitrosyl nitrite onono  
1015 PO4--- phosphate po4---  
1016 SO4-- sulfate so4--  
1017 HOONO2 peroxy nitric acid hoono2  
1018 HSO4- bisulfate anion hso4-  
1019 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1020 C3H2O2 Propiolic acid c3h2o2  
1021 CHOCOOH oxo acetic acid oaa  
1022 H2SO4 Sulfuric acid h2so4  
1023 H2SeO4 Selenic acid h2seo4  
1024 C3H3NO Oxazole oxazole  
1025 CH3C(O)OO acetyl peroxy radical ch3coo2  
1026 CH3NO3 Methyl nitrate ch3no3  
1027 H3PO4 Phosphoric Acid h3po4  
1028 C4H4O+ Furan cation furan+  
1029 C4H4S Thiophene furans  
1030 C3H4O2 β–Propiolactone beta  
1031 C3H4O2 2-Propenoic acid propenoic2  
1032 C3H4O2 Methyl glyoxal megly  
1033 C3H4O2 propanedial propanedial  
1034 C3H4O2 propenalol propenalol  
1035 HOCHCCHOH allenediol aldiol  
1036 C2H4O3 1,2,3-trioxolane c2h4o3  
1037 C2H4O3 trioxolane124 triox  
1038 HOCH2COOH Hydroxyacetic acid hac  
1039 CH2CHCONH2 Acrylamide c79061  
1040 CH3OCH2CN Methoxyacetonitrile c1738369  
1041 CH5N3S Hydrazinecarbothioamide c79196  
1042 H2NCH2COOH Glycine glycine  
1043 C4H6O cis-2-butenal butenal2c  
1044 C4H6O Cyclobutanone cbutone  
1045 C4H6O Furan, 2,3-dihydro- furan23h  
1046 C4H6O Furan, 2,5-dihydro- furan25h  
1047 CH2CHOCHCH2 Vinyl ether vinylether  
1048 CHOCHCHCH3 2-Butenal butenal2  
1049 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1050 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1051 C2H6N2O Urea, methyl- c598505  
1052 C3H6O2 1,3-Dioxolane dioxolane  
1053 CH3CH2COOH Propanoic Acid propanoic  
1054 CH3COOCH3 methyl acetate aame  
1055 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1056 C3H7NO dimethylformamide dmf  
1057 C3H7NO Propanamide propanam  
1058 C2H3OC2H5 Ethene, ethoxy- c109922  
1059 C4H8O Cyclobutanol c2919235  
1060 C4H8O Furan, tetrahydro- thf  
1061 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1062 CH3COCH2CH3 2-Butanone buta2one  
1063 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1064 CHOCH2CH2CH3 Butanal butanal  
1065 C3H8O2 1,3-Propanediol c504632  
1066 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1067 C3H8O2 Methane, dimethoxy- c109875  
1068 C3H8O2 Propylene glycol c57556  
1069 C3H8S2 1,3-Propanedithiol c109808  
1070 C4H10O 1-Butanol butanol1  
1071 C4H10O 1-Propanol, 2-methyl- c78831  
1072 C4H10O 2-Butanol, (.+/-.)- butanol2  
1073 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1074 C4H10O Propane, 2-methoxy- c598538  
1075 C4H10O+ 1-Butanol cation butanol1+  
1076 C2H5SC2H5 Diethyl sulfide etset  
1077 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1078 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1079 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1080 FNO3 Fluorine nitrate fno3  
1081 ClONO2 Chlorine nitrate clono2  
1082 BrONO2 Bromine nitrate brono2  
1083 TiCl4 Titanium tetrachloride ticl4  
1084 ClO4- perchlorate anion clo4-  
1085 BF4- tetrafluoroboron anion bf4-  
1086 ClFO3 Perchloryl fluoride clfo3  
1087 SO2F2 Sulfuryl fluoride so2f2  
1088 SO2Cl2 Sulfuryl chloride so2cl2  
1089 F3NO Nitrogen trifluoride oxide f3no  
1090 F3PO Phosphoryl fluoride pf3o  
1091 Cl3PO Phosphoryl chloride pcl3o  
1092 CF4 Carbon tetrafluoride cf4  
1093 SiF4 Silicon tetrafluoride sif4  
1094 TiF4 Titanium tetrafluoride tif4  
1095 CFCl3 Trichloromonofluoromethane cfcl3  
1096 CCl4+ Carbon tetrachloride cation ccl4+  
1097 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1098 SiCl4 Silane, tetrachloro- sicl4  
1099 CF3I trifluoroiodomethane cf3i  
1100 CBrCl3 Methane, bromotrichloro- cbrcl3  
1101 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1102 GeCl4 Germanium Tetrachloride gecl4  
1103 CCl3I trichloroiodomethane ccl3i  
1104 CFBr3 fluorotribromomethane cfbr3  
1105 CFClBrI fluorochlorobromoiodomethane cfclbri  
1106 CF2I2 difluorodiiodomethane cf2i2  
1107 CBr4 Carbon tetrabromide cbr4  
1108 CCl2I2 dichlorodiiodomethane ccl2i2  
1109 CBr3I tribromoiododmethane cbr3i  
1110 CI4 tetraiodomethane ci4  
1111 SiI4 silicon tetraiodide sii4  
1112 ClOF3 Chlorine trifluoride oxide clof3  
1113 C2HF3 Trifluoroethylene c2hf3  
1114 C2HF3+ Trifluoroethylene cation c2hf3+  
1115 CHClCCl2 Trichloroethylene chclccl2  
1116 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1117 HClO4 perchloric acid hclo4  
1118 HSO3F Fluorosulfonic acid hso3f  
1119 CF3OH trifluoromethanol cf3oh  
1120 CHClCCHCl 1,3-dichloroallene chclcchcl  
1121 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1122 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1123 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1124 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1125 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1126 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1127 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1128 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1129 NH3BCl3 Amminetrichloroboron nh3bcl3  
1130 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1131 C3H5ClO Oxirane, (chloromethyl)- c106898  
1132 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1133 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1134 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1135 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1136 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1137 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1138 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1139 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1140 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1141 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1142 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1143 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1144 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1145 C4H9F 1-fluorobutane butaf1  
1146 CH3CHFCH2CH3 2-fluorobutane butaf2  
1147 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1148 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1149 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1150 XeF4 Xenon tetrafluoride xef4  
1151 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1152 C6H2 hexatriyne c6h2  
1153 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1154 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1155 C6H4 Benzyne benzyne  
1156 C6H5 phenyl phenyl  
1157 C6H5- phenyl anion phenyl-  
1158 C6H6 2,4-Hexadiyne hexadiyne  
1159 C6H6 3,4-Dimethylenecyclobutene cb34m  
1160 C6H6 Hexa-1,5-diene-3-yne hdy153  
1161 C6H6 Trimethylenecycopropane tmcp  
1162 C6H6+ Benzene cation c6h6+  
1163 C6H8 (E)-hexa-1,3,5-triene c821078  
1164 C6H8 (E)-hexa-2,3,4-triene c59660650  
1165 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1166 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1167 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1168 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1169 C6H8 3-Methylenecyclopentene c930267  
1170 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1171 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1172 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1173 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1174 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1175 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1176 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1177 C6H10 1,5-Hexadiene c592427  
1178 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1179 C6H10 1-Hexyne hexyne1  
1180 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1181 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1182 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1183 C6H10 2-Hexyne c764352  
1184 C6H10 3-Hexyne hexyne3  
1185 C6H10 cyclohexene cyclohexene  
1186 C6H10 Cyclopentene, 1-methyl- c693890  
1187 C6H10 Cyclopentene, 3-methyl- c1120623  
1188 C6H10 Cyclopentene, 4-methyl- c1759815  
1189 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1190 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1191 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1192 C6H12 (E)-2-Hexene e2hexene  
1193 C6H12 (E)-3-methylpent-2-ene c616126  
1194 C6H12 (E)-hex-3-ene e3hexene  
1195 C6H12 (Z)-3-methylpent-2-ene c922623  
1196 C6H12 (Z)-hex-2-ene z2hexene  
1197 C6H12 (Z)-hex-3-ene z3hexene  
1198 C6H12 2,3-dimethylbut-1-ene c563780  
1199 C6H12 2,3-dimethyl-but-2-ene tmeet  
1200 C6H12 3-methylenepentane c760214  
1201 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1202 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1203 C6H12 Cyclohexane cyclohexane  
1204 C6H12 Cyclopentane, methyl- c96377  
1205 C6H12 Ethylcyclobutane c4806615  
1206 C6H12 hex-1-ene hexene1  
1207 C6H14 Butane, 2,2-dimethyl- buta22  
1208 C6H14 Butane, 2,3-dimethyl- buta23  
1209 C6H14 Hexane hexane  
1210 C6H14 Pentane, 2-methyl- penta2  
1211 C6H14 Pentane, 3-methyl- penta3  
1212 C4N2 2-Butynedinitrile c4n2  
1213 C4H2N2 Fumaronitrile c4h2n2  
1214 C2H2N4 sym-tetrazine ttz  
1215 C3H3N3 1,3,5-Triazine triazine135  
1216 CH3N5 5-Aminotetrazole c4418615  
1217 C4H4N2 1,3-Diazine diazine13  
1218 C4H4N2 Pyrazine pyrazine  
1219 C4H4N2 Pyridazine pyridazine  
1220 C4H4N2 Succinonitrile c110612  
1221 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1222 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1223 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1224 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1225 C5H5N E-2,4-pentadienenitrile bdcn  
1226 C5H5N Pyridine pyridine  
1227 B3N3H6 borazine borazine  
1228 C6H6 Fulvene fulvene  
1229 C5H6N+ Pyridinium c5h6n  
1230 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1231 C5H7N (E)-2-Pentenenitrile c26294984  
1232 C5H7N (E)-3-Pentenenitrile c16529661  
1233 C5H7N (Z)-2-Pentenenitrile c25899507  
1234 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1235 C5H7N Cyclobutanecarbonitrile c4426113  
1236 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1237 C5H9N Butanenitrile, 2-methyl- c18936179  
1238 C5H9N Pentanenitrile c110598  
1239 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1240 C6H10 Bicyclo[3.1.0]hexane c285585  
1241 C5H11N Cyclopentanamine cypentam  
1242 C5H11N Piperidine piper  
1243 C4H12N2 1,2-Butanediamine c4426486  
1244 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1245 Li2CO3 Lithium Carbonate li2co3  
1246 Na2CO3 Sodium Carbonate na2co3  
1247 C2O4-- oxalate anion c2o4  
1248 C2H2O4 Oxalic Acid oxalic  
1249 C2H3NO3 Oxamic acid oxamic  
1250 C4H4O2 2(5H)-Furanone furanone  
1251 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1252 C2H4N2O2 Oxalamide oxalamide  
1253 C2H4N2S2 Ethanedithioamide c79403  
1254 C2H4CO3 Ethylene carbonate etco3  
1255 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1256 C3H4S3 1,3-Dithiolane-2-thione c822388  
1257 C4H5NO 3-Methylisoxazole isox3m  
1258 C4H5NO Isoxazole, 5-methyl- c5765446  
1259 C4H5NS 4-Methylthiazole c693958  
1260 C2H5NO3 Nitric acid, ethyl ester c625581  
1261 C5H6O 2-methylfuran furan2m  
1262 C5H6O 3-Methylfuran furan3m  
1263 C5H6S Thiophene, 2-methyl- c554143  
1264 C5H6S Thiophene, 3-methyl- c616444  
1265 C4H6O2 2,3-Butanedione c431038  
1266 C4H6O2 2-Propenoic acid, methyl ester c96333  
1267 C4H6O2 Crotonic Acid crot  
1268 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1269 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1270 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1271 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1272 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1273 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1274 C4H6OS Vinyl sulfoxide c1115157  
1275 CH6N4S Carbonothioic dihydrazide thiacarb  
1276 C2H6N2O2 (E)-Azodioxymethane c37765154  
1277 C2H6N2O2 Dimethylnitroamine c4164287  
1278 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1279 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1280 C4H7NO 2-Pyrrolidinone c616455  
1281 C4H7NO Ethoxyacetonitrile etoaccn  
1282 C4H7NO Methacrylamide c79390  
1283 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1284 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1285 C3H7ONO Propyl nitrite prono  
1286 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1287 CH3CH(NH2)COOH Alanine alanine  
1288 CH3NHCH2COOH Sarcosine sarcosine  
1289 NH2CH2CH2COOH β–alanine betaalanine  
1290 NH2COOC2H5 Urethane urethane  
1291 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1292 C5H8O Cyclopentanone c120923  
1293 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1294 C5H8O Methyl cyclopropyl ketone c765435  
1295 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1296 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1297 NH2CONHC2H5 Urea, ethyl- c625525  
1298 C4H8O2 1,3-Dioxane dioxan13  
1299 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1300 C4H8O2 1,4-Dioxane dioxan14  
1301 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1302 C4H8OS s-Ethyl thioacetate c625605  
1303 C3H8O3 1,2,3-Propanetriol glycerin  
1304 C3H8O2S (Methylsulfonyl)ethane c594434  
1305 C4H9NO Butanamide c541355  
1306 C4H9NO Propanamide, 2-methyl- c563837  
1307 C5H10O 2-Butanone, 3-methyl- c563804  
1308 C5H10O 2H-Pyran, tetrahydro- c142687  
1309 C5H10O 2-methylbutyraldehyde 2meba  
1310 C5H10O 2-Pentanone mpk  
1311 C5H10O Cyclopentanol c96413  
1312 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1313 C5H10O Pentanal pal  
1314 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1315 C5H10S 3-Ethylthio-1-propene c5296628  
1316 C5H10S Cyclopentanethiol c1679078  
1317 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1318 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1319 C4H10O2 1,1-Dimethoxyethane c534156  
1320 C4H10O2 1,3-Butanediol budiol13  
1321 C4H10O2 1,4-Butanediol budiol14  
1322 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1323 C4H10OS Diethyl sulfoxide c70291  
1324 C4H10S2 1,4-Butanedithiol budisl14  
1325 C4H11NO Diethylhydroxylamine c3710847  
1326 C5H12O 1-Butanol, 2-methyl- c137326  
1327 C5H12O 1-Butanol, 3-methyl- c123513  
1328 C5H12O 1-Pentanol pentanol1  
1329 C5H12O 2-Butanol, 3-methyl- c598754  
1330 C5H12O 2-Pentanol peol2  
1331 C5H12O 3-Pentanol pentan3ol  
1332 C5H12O Butane, 1-methoxy- meobu  
1333 C5H12O Propane, 1-ethoxy- proet  
1334 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1335 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1336 C5H12S 1-Butanethiol, 3-methyl- c541311  
1337 C5H12S 1-Pentanethiol c110667  
1338 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1339 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1340 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1341 C5H12S Butane, 1-(methylthio)- c628295  
1342 C5H12S Ethyl propyl sulfide c4110503  
1343 C5H12S Propane, 2-(ethylthio)- c5145993  
1344 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1345 CF3CN Acetonitrile, trifluoro- cf3cn  
1346 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1347 B2F4 Diboron tetrafluoride b2f4  
1348 B2Cl4 Diboron tetrachloride b2cl4  
1349 C2F4 Tetrafluoroethylene c2f4  
1350 C2F4+ Tetrafluoroethylene cation c2f4+  
1351 CF2CCl2 difluorodichloroethylene cf2ccl2  
1352 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1353 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1354 C2FCl3 fluorotrichloroethene c2fcl3  
1355 C2Cl4 Tetrachloroethylene c2cl4  
1356 CF3OF Trifluoromethylhypofluorite cf3of  
1357 SOF4 Sulfur tetrafluoride oxide sof4  
1358 AsF5 Arsenic pentafluoride asf5  
1359 PCl5 Phosphorus pentachloride pcl5  
1360 SF5 Sulfur pentafluoride sf5  
1361 SF5+ pentafluoro sulfur cation sf5+  
1362 SbCl5 Antimony pentachloride sbcl5  
1363 BrF5 bromine pentafluoride brf5  
1364 ClF5 chlorinepentafluoride clf5  
1365 IF5 pentafluoroiodine if5  
1366 CF3CHO trifluoroacetaldehyde cf3cho  
1367 CCl3CHO trichloroacetaldehyde ccl3cho  
1368 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1369 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1370 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1371 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1372 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1373 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1374 CF3COOH trifluoroacetic acid cf3cooh  
1375 C4H3ClO Furan, 2-chloro fur2cl  
1376 C4H3ClO Furan,3-chloro fur3cl  
1377 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1378 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1379 C4H8Cl2 1,4-Dichlorobutane c110565  
1380 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1381 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1382 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1383 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1384 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1385 C5H11Cl Pentane, 1-chloro- pencl1  
1386 C6H5CH2 benzyl radical benzyl  
1387 C6H5CH3 toluene toluene  
1388 C7H8 cycloheptatriene cht  
1389 C7H8 Norbornadiene norbor  
1390 C7H8 Quadricyclane qucy  
1391 C7H12 Norbornane nor  
1392 C7H14 cycloheptane c7h14  
1393 C7H16 2-methylhexane 2mhex  
1394 C7H16 3-methylhexane hex3m  
1395 C7H16 heptane heptane  
1396 C6H7N 2-Methylpyridine mp  
1397 C6H5NH2 aniline aniline  
1398 C6H13N 2-Methylpiperidine pip2m  
1399 C6H13N cyclohexanamine cham  
1400 C6H15N triethylamine tea  
1401 N2O5 Dinitrogen pentoxide n2o5  
1402 C4H2O3 Maleic Anhydride malan  
1403 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1404 C6H5O phenoxy radical phenoxy  
1405 C5H5NO 2(1H)-Pyridinone c72762006  
1406 C5H5NO 2(3H)-Pyridinone c9000048  
1407 C5H5NO 2(5H)-Pyridinone c9000037  
1408 C5H5NO 2-Pyridinol c109104  
1409 C5H5NO 3(2H)-Pyridinone c9000004  
1410 C5H5NO 3(4H)-Pyridinone c9000026  
1411 C5H5NO 3(6H)-Pyridinone c9000015  
1412 C5H5NO 3-Pyridinol c109002  
1413 C5H5NO 4(1H)-Pryidinone c9000060  
1414 C5H5NO 4(3H)-Pryidinone c9000059  
1415 C5H5NO 4-Pyridinol c626642  
1416 C6H5OH phenol phenol  
1417 C6H6O 2,4-Cyclohexadienone c24599573  
1418 C6H6O 2,5-Cyclohexadienone c5664335  
1419 C6H5SH Benzenethiol phsh  
1420 HO2CCHNH2CH2OH Serine serine  
1421 C5H8O2 Acetylacetone acac  
1422 C4H8O2S Sulfolane sulfolane  
1423 CH(C2H3)3 trivinyl methane tvm  
1424 C6H10O cyclohexanone chexo  
1425 C6H12O hexanal c6h12o  
1426 C3H7OC3H7 di-n-propyl ether propr  
1427 CF3COO- trifluoro acetate anion cf3coo-  
1428 CF3COF trifluoroacetyl fluoride cf3cof  
1429 CF3COCl trifluoroacetyl chloride cf3cocl  
1430 PF6 Hexafluorophosphate neutral pf6  
1431 PF6- Hexafluorophosphate ion pf6-  
1432 SeF6 Selenium hexafluoride sef6  
1433 SF5Cl sulfur chloropentafluoride sf5cl  
1434 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1435 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1436 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1437 CCl3CHCl2 pentachloroethane ccl3chcl2  
1438 C6H5F Fluorobenzene bzf  
1439 C6H5Cl chlorobenzene bzcl  
1440 C6H5Br bromobenzene bzbr  
1441 C8H6 Calicene calicene  
1442 C6H5CCH phenylacetylene phac  
1443 C8H6 benzocyclobutadiene bcbd  
1444 C8H6 Pentalene pentalene  
1445 C6H5CHCH2 Styrene styrene  
1446 C8H8 cyclooctatetraene cot  
1447 C6H5CH2CH3 Ethylbenzene etbz  
1448 CH3C6H4CH3 meta-xylene mxylene  
1449 CH3C6H4CH3 paraxylene pxylene  
1450 C8H14 Bicyclo[2.2.2]octane bico222  
1451 C8H16 cyclooctane cyclooct  
1452 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1453 C8H18 Octane c8h18  
1454 C6H5CN phenyl cyanide phcn  
1455 C6H12N2 Triethylenediamine ted  
1456 C4O4-- squarate dianion c4o4--  
1457 S8 Octasulfur s8  
1458 C6H4O2 parabenzoquinone pbq  
1459 C4H4N2O2 Uracil uracil  
1460 C6H5OCH3 Anisole anisole  
1461 C5H9NO2 Proline proline  
1462 C6H12O2 Methyl pivalate c598981  
1463 C6H12O2 Hexanoic acid hexa  
1464 C4F4 tetrafluorcyclobutadiene c4f4  
1465 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1466 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1467 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1468 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1469 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1470 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1471 C2F6 hexafluoroethane c2f6  
1472 IF7 Iodine heptafluoride if7  
1473 C6H4F2 metadifluorobenzene mdfb  
1474 C6H4F2 orthodifluorobenzene odfb  
1475 C6H4Cl2 1,2-dichlorobenzene dcb12  
1476 C6H4Cl2 1,3-dichlorobenzene dcb13  
1477 C9H8 Indene indene  
1478 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1479 C9H12 n-propyl benzene prbz  
1480 C9H20 Nonane nonane  
1481 C(CN)4 tetracyanomethane c5n4  
1482 C5H4N4 purine purine  
1483 C8H7N Indole indole  
1484 C3H3N3O3 cyanuric acid cyanuric  
1485 C6H5NO2 Nitrobenzene c6h5no2  
1486 C6H5COOH benzoic acid benzo  
1487 CH3COC6H5 acetophenone acph  
1488 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1489 C6H3F3 Benzene trifluoride 123 bzf3a  
1490 C10H8 Azulene azu  
1491 C10H8 naphthalene naph  
1492 C10H16 adamantane adamantane  
1493 C6N4 Tetracyanoethylene tcne  
1494 C6N4- tetracyanoethylene anion tcne-  
1495 C10H22 Decane decane  
1496 C4F6 perfluorobutadiene c4f6  
1497 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1498 C3F8 perfluoropropane c3f8  
1499 Fe(CO)5 Iron pentacarbonyl ipc  
1500 Fe(C5H5)2 ferrocene fecp2  
1501 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1502 C12H8 Acenaphthylene acenaph  
1503 C12H8 biphenylene biph  
1504 C12H10 biphenyl biphenyl  
1505 C12H10 Heptalene heptalene  
1506 C6H12O6 Inositol inositol  
1507 C6F6 hexafluorobenzene c6f6  
1508 C14H10 Anthracene anth  
1509 C14H10 Phenanthrene phenanthrene  
1510 C12H10N2 azobenzene azobenzene  
1511 C16H10 Pyrene pyrene  
1512 C18H12 Tetracene tetracene  
1513 C24H12 Coronene coronene  
1514 C60 Buckminsterfullerene c60