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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 B97D3 /3-21G*

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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 K Potassium atom 2SKh
12 LiH+ lithium hydride cation 2ΣC∞v
13 KH Potassium hydride 1ΣC∞v
14 MgH magnesium monohydride 2ΣC∞v
15 ZnH+ Zinc, protonated   
16 BeH2+ Beryllium dihydride cation   
17 MgH2 magnesium dihydride 1ΣgD∞h
18 Al- Aluminum atom anion 3PKh
19 Al+ Aluminum atom cation 1SKh
20 Ga Gallium atom 2P 
21 Ga- Gallium atom anion 3POh
22 Ga+ Gallium atom cation 1S 
23 GaH Gallium monohydride 1ΣC∞v
24 GaH+ Gallium monohydride cation 2ΣC∞v
25 BH3+ boron trihydride cation 2B2C2v
26 BH3+ boron trihydride cation  C2v
27 AlH3- aluminum trihydride anion  C3v
28 BH4- borohydride anion 1A1Td
29 C Carbon atom 3P0Kh
30 Si- Silicon atom anion 4SKh
31 Ge Germanium atom 3PKh
32 Ge- Germanium anion 4SKh
33 Ge+ Germanium cation 2PKh
34 Sn Tin atom   
35 Sn+ Tin cation   
36 CH Methylidyne 2Π1/2C∞v
37 SiH Silylidyne 2ΠC∞v
38 GeH germylidene 2ΠC∞v
39 CH2- methylene anion 2B1C2v
40 GeH2 germylene 1A1C2v
41 CH3 Methyl radical 2A1D3h
42 SiH3 Silyl radical 2A1C3v
43 SiH3+ Silyl cation 1A1'D3h
44 GeH3 Germyl radical 2A1C3v
45 GeH3+ germyl cation 1A1'D3h
46 CH4 Methane 1A1Td
47 SiH2D2 silane-d2   
48 SiH4 Silane 1A1Td
49 GeH4 Germane 1A1Td
50 SnH4 Stannane   
51 SiH5+ Silane, protonated   
52 N Nitrogen atom 4SKh
53 P Phosphorus atom 4SKh
54 V+ Vanadium atom cation 5DKh
55 As Arsenic atomic 4SKh
56 As- Arsenic anion 3PKh
57 As+ Arsenic cation 3PKh
58 Sb Antimony atom   
59 PH phosphorus monohydride 3Σ-C∞v
60 AsH Arsenic monohydride 3ΣC∞v
61 SbH Antimony monohydride   
62 NH2 Amino radical 2B1C2v
63 NH2+ Amino cation 3B1C2v
64 NH2+ Amino cation 1A1C2v
65 NH3 Ammonia 1A1C3v
66 PH3 Phosphine 1A1C3v
67 PH3+ Phosphine cation 2A1C3v
68 AsH3 Arsine 1A1C3v
69 AsH3+ Arsine cation 2A1C3v
70 SbH3 Stibine   
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   
78 Se Selenium atom 3PKh
79 Se- Selenium atom anion 2PKh
80 Se+ Selenium atom cation 4SKh
81 Te Tellurium atom   
82 Te+ Tellurium atom cation   
83 OH Hydroxyl radical 2ΠC∞v
84 OH- hydroxide anion 1ΣC∞v
85 OH+ hydoxyl cation 3ΣC∞v
86 HS- mercapto anion 1ΣC∞v
87 HS+ sulfur monohydride cation 3ΣC∞v
88 CrH Chromium hydride 6ΣC∞v
89 CrH+ Chromium hydride cation 5ΣC∞v
90 HSe Selenium monohydride 2ΠC∞v
91 HSe- selenium monohydride anion 1ΣC∞v
92 HSe+ selenium monohydride cation 3ΣC∞v
93 TeH Telluryl radical   
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 H2Te Hydrogen Telluride   
104 H3O+ hydronium cation 1A1C3v
105 H3S+ Sulfonium cation 1A1C3v
106 H3Se+ Hydrogen Selenide, protonated 1A1C3v
107 F Fluorine atom 2PKh
108 F- Fluorine atom anion 1SKh
109 F+ Fluorine atom cation 3SKh
110 F+ Fluorine atom cation 1DKh
111 Cl Chlorine atom 2PKh
112 Cl- Chlorine atom anion 1SKh
113 Cl+ Chlorine atom cation 3PKh
114 Cl+ Chlorine atom cation 1DKh
115 Br Bromine atom 2PKh
116 Br- Bromine atom anion 1SKh
117 Br+ Bromine atom cation 3PKh
118 HF Hydrogen fluoride 1ΣC∞v
119 HF- hydrogen fluoride anion 2ΣC∞v
120 HF+ hydrogen fluoride cation 2ΠC∞v
121 HCl Hydrogen chloride 1ΣC∞v
122 HCl- hydrogen chloride anion 2ΣC∞v
123 HCl+ hydrogen chloride cation 2ΠC∞v
124 HBr hydrogen bromide 1ΣC∞v
125 HBr- hydrogen bromide anion 2ΣC∞v
126 HBr+ hydrogen bromide cation 2ΠC∞v
127 H2Cl+ dihydrogen monochloride cation 1A1C2v
128 H2Br+ protonated hydrogen bromide 2A1C2v
129 Ne Neon atom   
130 Kr Krypton atom 1SKh
131 Kr+ Krypton cation 2PKh
132 Xe Xenon atom 1SKh
133 HeLi+ Helium Lithium cation   
134 ArH+ Argon hydride cation 1ΣC∞v
135 KrH+ Protonated Krypton 1ΣC∞v
136 XeH+ Xenon, protonated 1ΣC∞v
137 NaLi lithium sodium 1ΣC∞v
138 Na2 Sodium diatomic 1ΣgD∞h
139 Na2- sodium diatomic anion 2ΣuD∞h
140 Na2+ sodium diatomic cation 2ΣgD∞h
141 LiAl Lithium Aluminum   
142 NaAl Sodium aluminum 1ΣC∞v
143 HBBH Diborane(2) 3ΣGD∞h
144 B2H4 Diborane(4) D2d 1A1D2d
145 HBHHBH Diborane(4) C2V 1A1C2v
146 B2H6 Diborane 1AgD2h
147 B2H6+ Diborane cation   
148 CaC Calcium monocarbide   
149 BSi Boron silicide 4ΣC∞v
150 BSi Boron silicide 2ΣC∞v
151 GeC Germanium monocarbide 1ΣC∞v
152 SiGe Silicon Germanium   
153 C2H Ethynyl radical 2ΣC∞v
154 C2H- Ethynyl anion 1ΣC∞v
155 C2H2 Acetylene 1ΣgD∞h
156 C2H2+ acetylene cation 2ΠuD∞h
157 C2H2+ acetylene cation   
158 H2CC- vinylidene anion   
159 HCCH- acetylene anion   
160 HCCH- acetylene anion   
161 Si2H2 disilyne   
162 Si2H2 disilyne   
163 Si2H2 disilyne   
164 Si2H2 disilyne   
165 CH3Li methyl lithium 1A1C3v
166 C2H3 vinyl 2A'Cs
167 C2H3+ vinyl cation 1A1C2V bridging H
168 C2H3+ vinyl cation 1A1C2V HCCH2
169 C2H4 Ethylene 1AgD2h
170 C2H4+ Ethylene cation 2B3D2
171 Si2H4 Disilene   
172 Si2H4 Disilene   
173 Si2H4 Disilene   
174 C2H5 Ethyl radical 2A'Cs
175 C2H6 Ethane 1A1gD3d
176 Si2H6 disilane 1EuD3d
177 LiN Lithium Nitride 3ΣC∞v
178 LiP Lithium monophosphide   
179 LiP Lithium monophosphide   
180 MgN Magnesium Nitride   
181 MgN Magnesium Nitride   
182 GaAs Gallium arsenide 3Π 
183 GaAs Gallium arsenide 1Σ 
184 CN Cyano radical 2ΣC∞v
185 SiP Silicon monophosphide 2ΠC∞v
186 N2 Nitrogen diatomic 1ΣgD∞h
187 N2 Nitrogen diatomic   
188 N2- nitrogen diatomic anion 2ΠgD∞h
189 PN Phosphorus mononitride 1ΣC∞v
190 HCN Hydrogen cyanide 1ΣC∞v
191 HCN+ hydrogen cyanide cation 2ΠC∞v
192 HNC+ hydrogen isocyanide cation   
193 HCP+ Phosphaethyne cation   
194 NNH+ Dinitrogen monohydride cation 1ΣC∞v
195 LiNH2 lithium amide   
196 HBNH Boranimine 1ΣC∞v
197 H2NN Isodiazene   
198 N2H2+ trans-diazene cation 2AGC2h
199 CH2NH Methanimine 1A'Cs
200 CH2NH+ Methanimine cation   
201 CHNH2 aminomethylene   
202 CHNH2+ Aminocarbene cation   
203 BH2NH2 Boranamine   
204 N2H4 Hydrazine 1AC2
205 CH3NH2 methyl amine 1A'Cs
206 SiH3NH2 Silane, amino   
207 N2H5+ protonated hydrazine 1A'Cs
208 BH3PH3 borane phosphine   
209 BH3NH3 borane ammonia 1A1C3v
210 CH3NH3 methyl ammonium radical 2A1C3v
211 N2H7+ ammonia ammonium dimer   
212 LiSe Lithium monoselenide   
213 CaO Calcium monoxide 1ΣC∞v
214 CaS Calcium sulfide 1ΣC∞v
215 BO boron monoxide 2ΣC∞v
216 GaO Gallium monoxide 2ΣC∞v
217 GaS Gallium monosulfide   
218 CO Carbon monoxide 1ΣC∞v
219 CO- carbon monoxide anion 2ΠC∞v
220 CO+ carbon monoxide cation 2ΣC∞v
221 SiO Silicon monoxide 1ΣC∞v
222 SiS silicon monosulfide 1ΣC∞v
223 CSe Carbon monoselenide 1ΣC∞v
224 GeO Germanium monoxide 1ΣC∞v
225 SiSe Silicon Monoselenide   
226 SiSe+ Silicon Monoselenide cation   
227 GeSe Germanium monoselenide   
228 NO Nitric oxide 2ΠC∞v
229 NO- nitric oxide anion 3ΣC∞v
230 NO+ nitric oxide cation 1ΣC∞v
231 PO Phosphorus monoxide 2ΠC∞v
232 PS phosphorus sulfide 2ΣC∞v
233 NSe Nitrogen monoselenide 2ΠC∞v
234 AsS Arsenic monosulfide 2ΠC∞v
235 PSe Phosphorus monoselenide 2ΠC∞v
236 AsSe Arsenic monoselenide 2ΠC∞v
237 O2 Oxygen diatomic 3ΣgD∞h
238 O2- oxygen diatomic anion 2ΠD∞h
239 O2-- dioxygen dianion   
240 SO Sulfur monoxide 3ΣC∞v
241 SO Sulfur monoxide 1ΣC∞v
242 SO+ sulfur monoxide cation 2ΠC∞v
243 S2 Sulfur diatomic 3ΣgD∞h
244 SeO Selenium monoxide 3ΣC∞v
245 TeO Tellurium monoxide   
246 Se2 Selenium diatomic 3ΣgD∞h
247 Te2 Tellurium diatomic   
248 LiOH lithium hydroxide 1ΣC∞v
249 KOH Potassium hydroxide 1ΣC∞v
250 BeOH beryllium monohydroxide 2A'Cs
251 HBO Boron hydride oxide 1ΣC∞v
252 HBS hydrogen boron sulfide 1ΣC∞v
253 COH Hydroxymethylidyne   
254 HCO Formyl radical 2A'Cs
255 HCO- formyl anion 1A'Cs
256 HCO+ Formyl cation 1ΣC∞v
257 HNO Nitrosyl hydride 1A'Cs
258 HNO+ Nitrosyl hydride cation 2A'Cs
259 HO2+ Hydroperoxy cation 3A"Cs
260 HSO+ Sulfur Monoxide, S-protonated   
261 SOH Sulfur Hydroxide   
262 SOH+ Sulfur Monoxide, protonated   
263 H2CO Formaldehyde 1A1C2v
264 H2CO- formaldehyde anion 2A'Cs
265 H2CO- formaldehyde anion   
266 H2CO+ formaldehyde cation 2B2C2v
267 H2CS Thioformaldehyde 1A1C2v
268 H2CS- thioformaldehyde anion   
269 H2CS- thioformaldehyde anion   
270 H2CS+ thioformaldehyde cation 2B2C2v
271 H2CSe Selenoformaldehyde   
272 H2O2 Hydrogen peroxide 1AC2
273 H2O2 Hydrogen peroxide 1AgC2h
274 H2OO water oxide   
275 HOSH hydrogen thioperoxide   
276 H2S2 Disulfane 1AC2
277 H2S2+ hydrogen disulfide cation 2BgC2h
278 H2Se2 hydrogen diselenide   
279 CH2OH+ hydroxymethyl cation 1A'Cs
280 CH3O- methoxy anion 1A1C3v
281 NH2OH hydroxylamine 1A'Cs
282 NH2OH+ Hydroxylamine cation   
283 NH2SH Thiohydroxylamine   
284 NH2SH Thiohydroxylamine   
285 NH3S sulfidoazane   
286 CH3OH Methyl alcohol 1A'Cs
287 CH3OH+ Methyl alcohol cation 2A"Cs
288 CH3SH Methanethiol 1A'Cs
289 SiH3OH silanol   
290 NH2OH2+ protonated hydroxylamine   
291 NH3OH+ N-protonated hydroxylamine   
292 CH3SH2+ protonated methylsulfide 1A'Cs
293 H5O2+ Dihydroxonium ion 1AC2
294 LiF lithium fluoride 1ΣC∞v
295 LiCl lithium chloride 1ΣC∞v
296 NaF+ sodium fluoride cation 2ΣC∞v
297 LiBr Lithium Bromide 1ΣC∞v
298 LiI Lithium Iodide   
299 NaI Sodium Iodide   
300 LiF+ lithium fluoride cation 2ΠC∞v
301 CaBr Calcium monobromide   
302 BF Boron monofluoride 1ΣC∞v
303 AlF Aluminum monofluoride 1Σ+C∞v
304 GaF Gallium monofluoride 1ΣC∞v
305 AlBr Aluminum monobromide   
306 GaCl Gallium monochloride 1ΣGC∞v
307 AlI Aluminum monoiodide   
308 GaBr Gallium monobromide   
309 CF Fluoromethylidyne 2ΠC∞v
310 SiCl Clorosilylidyne 2ΠC∞v
311 CBr Carbon monobromide 2ΠC∞v
312 GeF Germanium monofluoride 2ΠC∞v
313 GeF+ Germanium monofluoride cation 1ΣC∞v
314 GeCl Germanium monochloride 2ΠC∞v
315 GeCl+ Germanium monochloride cation   
316 SiBr Silicon monobromide 2ΠC∞v
317 SiBr+ Silicon monobromide cation   
318 NCl nitrogen monochloride 3ΣC∞v
319 AsCl Arsenic monochloride 3ΣC∞v
320 PBr Phosphorus monobromide   
321 ClO Monochlorine monoxide 2ΠC∞v
322 ClO+ chlorine monoxide cation 3ΣC∞v
323 SF Monosulfur monofluoride 2ΠC∞v
324 SF+ sulfur monofluoride cation 3ΣC∞v
325 SCl+ sulfur monochloride cation 3ΣgC∞v
326 BrO Bromine monoxide 2ΠC∞v
327 BrO+ Bromine monoxide cation   
328 SBr Sulfur monobromide radical   
329 SBr+ Sulfur monobromide cation   
330 SeCl Selenium monochloride 2ΠC∞v
331 SeBr Selenium monobromide   
332 BrCl Bromine monochloride 1ΣC∞v
333 F2 Fluorine diatomic 1ΣgD∞h
334 F2- flourine diatomic anion 2ΣuD∞h
335 F2+ flourine diatomic cation 2ΠgD∞h
336 ClF Chlorine monofluoride 1Σ+C∞v
337 ClF+ clorine monofluoride cation 2ΠC∞v
338 Cl2+ chlorine diatomic cation 2ΠgD∞h
339 BrF Bromine monofluoride 1ΣC∞v
340 Br2 Bromine diatomic 1ΣgD∞h
341 Br2- bromine diatomic anion 2ΣuD∞h
342 Br2+ bromine diatomic cation 2ΠgD∞h
343 HCF Fluoromethylene 1A'Cs
344 HCF Fluoromethylene 3A"Cs
345 HSiF fluorosilylene   
346 HSiCl Chlorosilylene   
347 HSiBr monobromosilylene   
348 HOF Hypofluorous acid 1A'Cs
349 HOCl hypochlorous acid 1A'Cs
350 HOCl+ hypochlorous acid cation   
351 HOI Hypoiodous acid   
352 F2H+ Fluorine, protonated 1A'Cs
353 ClFH+ Chlorine fluoride, F-protonated   
354 FClH+ Chlorine fluoride, Cl-protonated   
355 Cl2H+ Chlorine, protonated 1A'Cs
356 CH2Br bromomethyl radical   
357 CH2F fluoromethyl radical 2ACs
358 CH2F+ fluoromethyl cation   
359 CH2Cl+ chloromethyl cation   
360 CH2Cl chloromethyl radical 2A'Cs
361 CH2Cl chloromethyl radical 2B1C2v
362 NH2Cl chloramine 1A'Cs
363 CH3F+ methyl fluoride cation   
364 CH3F Methyl fluoride 1A1C3v
365 CH3Cl Methyl chloride 1A1C3v
366 CH3Cl+ Methyl chloride cation   
367 SiH3F monofluorosilane 1A1C3v
368 SiH3Cl chlorosilane 1A1C1
369 CH3Br methyl bromide 1A1C3v
370 GeH3F monofluorogermane   
371 GeH3Cl monochlorogermane   
372 SiH3Br bromosilane 1A1C3v
373 SiH3I Silyl Iodide   
374 NH3Cl+ protonated monochloroammonia   
375 CH3ClH+ methyl chloride, protonated   
376 NH4Cl Ammonium chloride   
377 LiNe+ Lithium Neon cation   
378 Ar2 Argon diatomic 1SgD∞h
379 C3 carbon trimer 1ΣgD∞h
380 C3 carbon trimer 1A1C2v
381 SiC2 Silicon dicarbide   
382 C3H4 cyclopropene 1A1C2v
383 CH2CCH2 allene 1A1D2d
384 CH3CCH propyne 1A'C3v
385 C3H6 Cyclopropane 1A1'D3h
386 CH2CHCH3 Propene 1A'Cs
387 C3H7 n-Propyl radical 2A"C1
388 C3H7+ cyclopropane, protonated   
389 CH3CHCH3 Isopropyl radical 2AC2
390 CH3CHCH3+ Isopropyl cation 1AC2
391 C3H8 Propane 1A1C2v
392 Si3H8 trisilane   
393 LiCN lithium cyanide 1ΣC*V LiCN
394 KCN Potassium cyanide 1ΣC∞v
395 KCN Potassium cyanide 1ΣC∞v
396 KCN Potassium cyanide 1A'Cs
397 ZnCN Zinc monocyanide 2ΣC∞v
398 ZnNC Zinc isocyanide 2ΣC∞v
399 AlCN Aluminum monocyanide   
400 AlNC Aluminum isocyanide   
401 CNN Diazocarbene   
402 N3 azide radical 2ΠgD∞h
403 N3+ azide cation 3ΣC∞v
404 HN3 hydrogen azide 1A'Cs
405 HN3+ Hydrazoic acid cation   
406 HNCNH diiminomethane 1AC2
407 HNNNH+ 1,2-Triazadienium   
408 NH2NN+ hydrazoic acid, protonated   
409 CH3CN Acetonitrile 1A1C3v
410 CH3CN- acetonitrile anion 2EC3v
411 CH3CN- acetonitrile anion 2A'Cs
412 CHNCH2 2H-Azirine   
413 CHNHCH 1H-Azirine   
414 H2CCNH Ethenimine   
415 H2CNCH methyleneaminomethylene   
416 HCCNH2 Ethynamine   
417 HCNCH2+ 2H-Azirine cation   
418 NH2CNH+ cyanamide, cn protonated   
419 NH3CN+ cyanamide, amine protonated   
420 C2H6N+ aziridine, protonated 1A1C2v
421 CH3CH2NH2 Ethylamine   
422 CH3PHCH3 dimethylphosphine 1A'Cs
423 Li2O dilithium oxide 1ΣgD∞h
424 Na2O disodium monoxide 1ΣgLinear
425 Na2O disodium monoxide 1A1C2v
426 Na2S Sodium sulfide   
427 Na2S Sodium sulfide   
428 LiO2 Lithium dioxide   
429 NaO2 Sodium superoxide   
430 NCO isocyanato radical 2ΠC∞v
431 N2O Nitrous oxide 1ΣC∞v
432 CO2 Carbon dioxide 1ΣgD∞h
433 OCS Carbonyl sulfide 1ΣC∞v
434 CS2 Carbon disulfide 1ΣgD∞h
435 GeO2 Germanium dioxide 1ΣgD∞h
436 OCSe Carbonyl selenide 1ΣC∞v
437 SCSe Carbon sulfide selenide   
438 SCTe Carbon sulfide Telluride   
439 NO2 Nitrogen dioxide 2A1C2v
440 NO2+ Nitrogen dioxide cation 1ΣGD∞h
441 NSO sulfinyl amidogen   
442 SNO Nitrogen oxide sulfide   
443 O3 Ozone 1A1Cs
444 SO2 Sulfur dioxide 1A1C2v
445 SSO Disulfur monoxide 1A'Cs
446 S3 Sulfur trimer 1A1C2v
447 S3 Sulfur trimer   
448 SeO2 Selenium dioxide 1A1C2v
449 TeO2 Tellurium Dioxide   
450 HCCO ketenyl radical 2ΠC∞v
451 HCCO ketenyl radical 2A"Cs
452 HCNO fulminic acid 1ΣC∞v
453 HNCS Isothiocyanic acid   
454 HNCS Isothiocyanic acid   
455 HSCN thiocyanic acid 1A'Cs
456 HOCO Hydrocarboxyl radical 1A'cis
457 HOCO Hydrocarboxyl radical 1A'trans
458 O3H+ protonated ozone 1A'Cs
459 O3H+ protonated ozone   
460 SO2H+ protonated sulfur dioxide 1A'Cs
461 C2H2O Oxirene 1A1C2v
462 CH2CO Ketene 1A1C2v
463 CH2CS Thioketene   
464 Be(OH)2 Beryllium hydroxide   
465 Be(OH)2 Beryllium hydroxide   
466 Be(OH)2 Beryllium hydroxide   
467 H2COO Dioxymethyl radical 2A'Cs
468 H2COO+ dioxymethyl cation 2A'Cs
469 HCOOH Formic acid 1A'Cs
470 HCOOH Formic acid   
471 BH3CO Borane carbonyl 1A1C3v
472 CH2COH+ ketene, protonated   
473 HOCHNH hydroxymethylimine 1A'CS H all up
474 CHSNH2 thioformamide   
475 NHCHSH Methanimidothioic acid   
476 C2H4O Ethylene oxide 1A1C2v
477 C2H4O+ ethylene oxide cation   
478 CH3CHO Acetaldehyde 1A'Cs
479 CH3CHO+ acetaldehyde cation   
480 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
481 C2H4S Thiirane 1A1C2v
482 CH2CHSH Ethenethiol   
483 CH3CHS Thioacetaldehyde 1A'C1
484 NH2CHOH+ Formamide, O-protonated   
485 CH3SSH Hydrogen methyl disulfide   
486 HSCH2SH Methanedithiol   
487 C2H4OH+ ethylene oxide, protonated 1A'Cs
488 NH2CH2OH aminomethanol   
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 CH3SeCH3 dimethylselenide 1A1C2v
496 CNF iso cyanogen fluoride 1ΣC∞v
497 BrCN Cyanogen bromide 1ΣC∞v
498 ICN Cyanogen iodide 1ΣC∞v
499 FBO Boron monofluoride monoxide   
500 BeBr2 Beryllium bromide   
501 CaBr2 Calcium dibromide   
502 BF2 Boron difluoride radical 2A1C2v
503 FNO Nitrosyl fluoride 1A'Cs
504 ClNO Nitrosyl chloride 1A'Cs
505 FNS Thionitrosyl fluoride 1A'Cs
506 FSN Thiazyl fluoride 1A'Cs
507 OPCl Phosphorus oxychloride   
508 INO Nitrosyl iodide 1A'Cs
509 CF2 Difluoromethylene 1A1D∞h
510 CFCl chlorofluoromethylene 1A'Cs
511 SiF2 Silicon difluoride 1A1C2v
512 GeCl2 Germanium dichloride 1A1C2v
513 CBr2 dibromomethylene 1A1C2v
514 CBr2 dibromomethylene 3B1C2v
515 FOO+ Fluorine dioxide cation   
516 OClO Chlorine dioxide 2B1D∞h
517 OClO- Chlorine dioxide anion 1A'Cs
518 ClSO Sulfur chloride oxide 2A"Cs
519 BrOO Bromine dioxide   
520 OBrO Bromine dioxide radical 2B1C2v
521 PF2 Phosphorus difluoride   
522 PF2+ Phosphorus difluoride cation   
523 FClO chlorosyl fluoride 1A'Cs
524 ClOF Chlorine hypofluorite 1A'Cs
525 SF2 sulfur difluoride 1A1C2v
526 SeF2 Selenium difluoride   
527 SeCl2 Selenium Dichloride   
528 SBr2 Sulfur dibromide   
529 SeBr2 Selenium dibromide   
530 Br3- tribromide anion   
531 I3- triiodide   
532 SFCl Sulfur chloride fluoride   
533 HCCF Fluoroacetylene 1ΣC∞v
534 HCCBr bromoacetylene 1ΣC∞v
535 CHF2 difluoromethyl radical 2ACs
536 CHF2+ difluoromethyl cation   
537 CHFCl Chlorofluoromethyl radical   
538 CHFCl+ Chlorofluoromethyl cation   
539 CHCl2+ dichloromethyl cation   
540 CHBr2 dibromomethyl radical   
541 NHF2 difluoramine   
542 NHCl2 dichloroamine   
543 CH2F2 Methane, difluoro- 1A1C2v
544 SiH2F2 difluorosilane   
545 CH2Cl2 Methylene chloride 1A1C2v
546 CH2BrF Methane, bromofluoro- 1A'Cs
547 CH2BrCl Methane, bromochloro- 1A'Cs
548 CH2FI fluoroiodomethane   
549 CH2Br2 dibromomethane 1A1C2v
550 CH2ClI chloroiodomethane   
551 CH2BrI bromoiodomethane   
552 CH2I2 Diiodomethane   
553 CH3MgBr Methyl Magnesium Bromide   
554 CH2CHF Ethene, fluoro- 1A'Cs
555 C2H3I Vinyl iodide   
556 CH2FOH fluoromethanol   
557 CH2CH2Cl 2-chloroethyl radical 2A'Cs
558 CHClCH3 1-chloroethyl radical 2AC1
559 C2H5Br Ethyl bromide 1A'Cs
560 XeF2 Xenon difluoride   
561 C4 Carbon tetramer 3ΣgD∞h
562 C4 Carbon tetramer   
563 C4H2+ diacetlyene cation 2ΠgD∞h
564 C4H4 Tetrahedrane   
565 C4H6 1-Methylcyclopropene 1AC1
566 CH2CHCH2CH3 1-Butene 1AC1
567 CH3CH2CH2CH3 Butane 1AgAnti
568 CH3CH2CH2CH3 Butane 1AGauche
569 As4 Arsenic tetramer 1A1Td
570 HCCCN+ Cyanoacetylene cation 2ΠC∞v
571 H2CNCN cyanamide, methylene   
572 HNCCNH Ethenediimine   
573 NH2CCNH2 Diaminoacetylene 1AC2
574 NH2CCNH2 Diaminoacetylene 1A1D2d
575 NH2CH2CN Aminoacetonitrile 1A'Cs
576 C2H5CN ethyl cyanide 1A'Cs
577 C4H6 Bicyclo[1.1.0]butane 1A1C2v
578 H2NCHCHNH2 diaminoethylene   
579 CH7N3 triaminomethane   
580 NH2CH2CH2CH3 1-Propanamine 1A'Cs
581 N(SiH3)3 trisilylamine   
582 (CH3)3NH+ protonated trimethyl amine   
583 C3H7NH3+ n-propylamine, protonated 1A'Cs
584 K2O2 dipotassium dioxide   
585 C3O Tricarbon monoxide 1ΣC∞v
586 ONNO NO dimer 1Agtrans C2H
587 ONNO NO dimer 1A1cis C2V
588 S2N2 Disulfur dinitride 1AGD2h
589 CS3-- Carbonotrithioate   
590 SO3 Sulfur trioxide 1A1'D3h
591 SO3-- Sulfate dianion   
592 S4 Sulfur tetramer   
593 S4 Sulfur tetramer   
594 S4 Sulfur tetramer   
595 TeO3 Tellurium trioxide   
596 HNO3 Nitric acid 1A'Cs
597 C3H2O Propadienal   
598 C3H2O Propadienal   
599 C2H2O2 Ethanedial 1AgC2h
600 C2H3NO Nitrosoethylene   
601 CH3NCO methylisocyante   
602 HOCH2CN cyanomethanol   
603 CH3NO2 Methane, nitro- 1A'Cs
604 H3AlO3 Aluminum hydroxide   
605 CH2CHCHO Acrolein 1A'Cs
606 CH2CHCHO Acrolein   
607 CH2C(OH)NH2 1-amino vinyl alchohol   
608 CH3C(OH)=NH Ethaninidic acid   
609 CH3CSNH2 Ethanethioamide   
610 C3H5OH Cyclopropanol 1AC1
611 C3H6O Acetone enol 1A'Cs
612 CH3CH2CHO Propanal 1A'Cs
613 CH3COCH3 Acetone 1A1C2v
614 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
615 C3H7OH 1-Propanol   
616 Li2F2 Lithium fluoride dimer   
617 FNO2 Nitryl fluoride 1A1C2v
618 FONO Nitrosyl hypofluorite 1A'CS cis
619 CF2O Carbonic difluoride 1A1C2v
620 CF2O+ Carbonic difluoride cation   
621 BF3+ boron trifluoride cation   
622 BClF2 Chlorodifluoroborane   
623 BCl3 Borane, trichloro- 1A1'D3h
624 BCl3+ Boron Trichloride cation   
625 GaF3 Gallium trifluoride 1A1'D3h
626 GaCl3 Gallium trichloride 1A1'D3h
627 CF2Cl difluorochloromethyl radical   
628 CFCl2 dichlorofluoromethyl radical   
629 CBr3 tribromomethyl radical   
630 ClO2F Chloryl fluoride 1A'Cs
631 SSCl2 Thiothionyl chloride   
632 NF3 Nitrogen trifluoride 1A1C3v
633 NCl3 nitrogen trichloride 1A1C3v
634 SbF3 Antimony Trifluoride   
635 NBr3 Nitrogen Tribromide 1A1C3v
636 NI3 Nitrogen triiodide   
637 PI3 Phosphorus triiodide   
638 IF3 iodone trifluoride   
639 HClO3 Chloric Acid 1A'Cs
640 HClO3 Chloric Acid 1AC1
641 CHF3 Methane, trifluoro- 1A1C3v
642 SiHF3 trifluorosilane   
643 CHCl3 Chloroform 1A1C3v
644 CHBrF2 Methane, bromodifluoro- 1A'Cs
645 CHFClBr fluorochlorobromomethane 1AC1
646 CHBrCl2 Methane, bromodichloro- 1A'Cs
647 CHF2I difluoroiodomethane   
648 CHBr2F dibromofluoromethane   
649 CHFClI fluorochloroiodomethane   
650 NF3H+ protonated nitrogen trifluoride 1A1C3v
651 AsF3H+ Arsenic trifluoride, protonated   
652 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
653 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
654 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
655 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
656 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
657 C2H4F2 1,2-difluoroethane 1AgC2H anti
658 C2H4F2 1,2-difluoroethane 1AC2 gauche
659 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
660 CH2BrCH2Cl 1-bromo-2-chloroethane   
661 CH2BrCH2Cl 1-bromo-2-chloroethane   
662 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
663 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
664 CH2CHCH2F Allyl Fluoride   
665 CH2CHCH2F Allyl Fluoride   
666 CH3CHCHF trans-1-Fluoro-1-propene   
667 CH2FCH2OH 2-fluoroethanol   
668 CH2FCH2CH3 1-Fluoropropane 1A'Cs
669 CH2FCH2CH3 1-Fluoropropane   
670 CH3CHFCH3 2-Fluoropropane 1A'Cs
671 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
672 B5H9 pentaborane9   
673 C5H4 pentatetraene   
674 C5H6 Propellane 1A1D3h
675 C5H8 Bicyclo[1.1.1]pentane   
676 C3H4N2 2H-Imidazole 1A1C2v
677 C4H5N Pyrrole 1A1C2v
678 C4H6N+ pyrrole, beta-protonated 1A'Cs
679 C3O2 Carbon suboxide 1ΣGD∞h
680 B2O3 diboron trioxide   
681 B2O3 diboron trioxide   
682 CHOOCHO diformyl ether   
683 C3H3NO Isoxazole 1A'Cs
684 C3H3NS Thiazole   
685 C4H4O Furan 1A1C2
686 CH3COCCH 3-butyn-2-one 1A'Cs
687 C4H4Se selenophene   
688 CH3SO2NH2 methanesulfonamide 1A'Cs
689 CH2CHSCHCH2 Divinyl sulfide   
690 HCOOC2H5 Ethyl formate 1A'Cs
691 C2H6O2S Dimethyl sulfone 1A1C2v
692 C4H8S Thiophene, tetrahydro- 1AC1
693 C4H10O Ethoxy ethane 1A1C2v
694 C4H10O Methyl propyl ether 1AC1
695 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
696 C4H9SH 1-Butanethiol   
697 CF3Cl Methane, chlorotrifluoro- 1A1C3v
698 CF2Cl2 difluorodichloromethane 1A1C2v
699 CF3Br Bromotrifluoromethane 1A1C3v
700 GeF4 Germanium tetrafluoride 1A1Td
701 CCl4 Carbon tetrachloride 1A1Td
702 CBrCl2F bromodichlorofluoromethane   
703 CBr2ClF dibromochlorofluoromethane   
704 CBr2Cl2 dibromodichloromethane 1A1C2v
705 CCl3I trichloroiodomethane   
706 CFClBrI fluorochlorobromoiodomethane   
707 CBr3Cl tribromochloromethane 1A1C3v
708 CF2I2 difluorodiiodomethane   
709 CBr4 Carbon tetrabromide 1A1Td
710 CCl2I2 dichlorodiiodomethane   
711 SiBr4 Silicon tetrabromide 1A1Td
712 GeBr4 Germanium tetrabromide   
713 CI4 tetraiodomethane   
714 SiI4 silicon tetraiodide   
715 SF4 Sulfur tetrafluoride 1A1C2v
716 SeF4 Selenium tetrafluoride   
717 SCl4 Sulfur tetrachloride   
718 CH2ClCCCl 1,3-dichloropropyne   
719 CHCl2CCH 3,3-dichloropropyne   
720 CHCl2CHO dichloroacetaldehyde   
721 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
722 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
723 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
724 CH2FCH2CH2F 1,3-difluoropropane   
725 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
726 XeF4 Xenon tetrafluoride   
727 C2H2N2O Furazan   
728 NH3BF3 Amminetrifluoroboron 1A1C3v
729 C6H6 Prismane   
730 C6H6 1,2,4,5-Hexatetraene 1AgC2h
731 C6H6 Benzene 1A1gD6h
732 C6H6 Benzvalene 1A1C2v
733 C6H6 Dewar Benzene   
734 C6H7+ benzene, protonated 1A1C2v
735 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
736 MgSO4 Magnesium Sulfate 1A1C2v
737 N2O4 Dinitrogen tetroxide 1AgD2d
738 C3H2O3 vinylene carbonate   
739 C2H4O4 Formic acid dimer 1AGC2h
740 C5H6O 2H-Pyran   
741 C5H6O Pentadienal   
742 C4H6O2 γ–Butyrolactone 1AC1
743 C3H6O3 1,3,5-Trioxane 1A1C1
744 C3H6S3 1,3,5-Trithiane 1A1C3v
745 C4H8O2 Ethyl acetate 1A'Cs
746 C5H10O 3-Pentanone 1A1C2v
747 C4F2 difluorobutadiyne   
748 ClCOClCO Oxalyl chloride 1AGC2h
749 C2ClF3 Ethene, chlorotrifluoro-   
750 C2Br4 tetrabromoethene   
751 SiF5- silicon pentafluoride anion   
752 PF5 Phosphorus pentafluoride 1A1'D3h
753 IF5 pentafluoroiodine   
754 CH2ClCCl3 1,1,1,2-tetrachloroethane   
755 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
756 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
757 C4H8O2 Butanoic acid 1AC1
758 C7H7 cycloheptatrienyl radical 2A2C2v
759 C7H7+ cycloheptatrienyl cation 1A1'D7h
760 CH(CN)3 tricyanomethane   
761 HN=C=C(CN)2 Dicyanoketenimine   
762 C5H4O2 furfural 1A'OCCO cis
763 C5H4O2 furfural 1A'OCCO trans
764 C7H10 Norbornene   
765 C6H12O Oxepane   
766 F2CCCF2 tetrafluoroallene   
767 SF6 Sulfur Hexafluoride 1A1GOh
768 CF3CHF2 pentafluoroethane 1A'Cs
769 C8H8 cubane 1A1GOh
770 S4N4 Tetrasulfur tetranitride   
771 C6H5CHO benzaldehyde 1A'Cs
772 C2Cl6 hexachloroethane 1A1gD3d
773 C6H4F2 1,4-difluorobenzene 1AgD2h
774 C6H4Cl2 1,4-dichlorobenzene   
775 C6H5NO nitrosobenzene 1A'Cs
776 C3F6 hexafluoropropene   
777 C8H18O 1-Octanol   
778 C10H10 bullvalene   
779 B12H12-- Dodecahydrododecaborate(2-)   
780 S2F10 disulphur decafluoride   
781 C13H10 Fluorene   
782 C14H14 Bibenzyl 1AC2
783 C6H5COC6H5 benzophenone 1AC2
784 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 anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH Lithium Hydride lih  
22 LiH- lithium hydride anion lih-  
23 NaH sodium hydride nah  
24 NaH- sodium hydride anion nah-  
25 NaH+ sodium hydride cation nah+  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be Beryllium atom be  
29 Be- Beryllium atom anion be-  
30 Be+ Beryllium atom cation be+  
31 Mg Magnesium atom mg  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH beryllium monohydride beh  
41 BeH- berylium monohydride anion beh-  
42 BeH+ beryllium monohydride cation beh+  
43 MgH- magnesium monohydride anion mgh-  
44 MgH+ magnesium monohydride cation mgh+  
45 CaH Calcium monohydride cah  
46 CaH+ Calcium monohydride cation cah+  
47 TiH Titanium monohydride tih  
48 ZnH Zinc monohydride znh  
49 BeH2 beryllium dihydride beh2  
50 CaH2 Calcium Hydride cah2  
51 ZnH2 Zinc hydride znh2  
52 B Boron atom b  
53 B- Boron atom anion b-  
54 B+ Boron atom cation b+  
55 Al Aluminum atom al  
56 Sc Scandium atom sc  
57 Sc+ Scandium cation sc+  
58 BH Boron monohydride bh  
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 alh3  
75 AlH3+ aluminum trihydride cation alh3+  
76 ScH3 Scandium trihydride sch3  
77 GaH3 Gallium trihydride gah3  
78 BH4 borohydride bh4  
79 AlH4- Aluminum tetrahydride anion alh4-  
80 C- Carbon atom anion c-  
81 C+ Carbon atom cation c+  
82 Si Silicon atom si  
83 Si+ Silicon atom cation si+  
84 Ti Titanium atom ti  
85 Ti- Titanium atom anion ti-  
86 Ti+ Titanium atom cation ti+  
87 CH- methylidyne anion ch-  
88 CH+ Methylidyne cation ch+  
89 SiH- silicon monohydride anion sih-  
90 SiH+ silicon monohydride cation sih+  
91 GeH+ Germaniun monohyrdide cation geh+  
92 CH2 Methylene ch2  
93 CH2+ methylene cation ch2+  
94 SiH2 silicon dihydride sih2  
95 SiH2- silicon dihydride anion sih2-  
96 SiH2+ silicon dihydride cation sih2+  
97 GeH2- germylene anion geh2-  
98 CH3- methyl anion ch3-  
99 CH3+ methyl cation ch3+  
100 SiH3- Silyl anion sih3-  
101 CD4 methane-d4 cd4  
102 CH2D2 methane-d2 ch2d2  
103 CH3D methane-d ch3d  
104 CH4- Methane anion ch4-  
105 CH4+ Methane cation ch4+  
106 CHD3 methane-d3 chd3  
107 SiH4+ Silane cation sih4+  
108 N- Nitrogen atom anion n-  
109 N+ Nitrogen atom cation n+  
110 P- Phosphorus atom anion p-  
111 P+ Phosphorus atom cation p+  
112 V Vanadium atom v  
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 ND2 Amidogen-d2 nd2  
120 NH2- amino anion nh2-  
121 PH2 Phosphino radical ph2  
122 PH2- Phosphino anion ph2-  
123 PH2+ Phosphino cation ph2+  
124 AsH2 Arsenic dihydride ash2  
125 AsH2+ Arsenic dihydride cation ash2+  
126 ND3 Ammonia-d3 nd3  
127 NH3- Ammonia anion nh3-  
128 NH3+ ammonia cation nh3+  
129 O- Oxygen atom anion o-  
130 O+ Oxygen atom cation o+  
131 S Sulfur atom s  
132 S- Sulfur atom anion s-  
133 S+ Sulfur atom cation s+  
134 Cr Chromium atom cr  
135 DO Hydroxyl-d od  
136 DS Mercapto-d ds  
137 HS Mercapto radical hs  
138 D2O Deuterium oxide d2o  
139 D2S Hydrogen sulfide-d2 d2s  
140 H2S- Hydrogen sulfide anion h2s-  
141 Mn Manganese atom mn  
142 I Iodine atom iodine  
143 I- Iodine atom anion iodine-  
144 I+ Iodine atom cation iodine+  
145 DF Hydrofluoric acid-d df  
146 DCl Hydrochloric acid-d dcl  
147 HI Hydrogen iodide hi  
148 HI+ Hydrogen iodide cation hi+  
149 H2F+ dihydrogen fluoride cation h2f+  
150 H2I+ Iodonium h2i+  
151 Ne Neon atom ne  
152 Ne- Neon atom anion ne-  
153 Ne+ Neon atom cation ne+  
154 Ar Argon atom ar  
155 Ar- Argon atom anion ar-  
156 Ar+ Argon atom cation ar+  
157 Fe Iron atom fe  
158 NeH neon hydrogen neh  
159 NeH+ neon hydrogen cation neh+  
160 H2Ar H2 Ar dimer h2ar  
161 Co Cobalt atom cobalt  
162 Ni Nickel atom ni  
163 Li2 Lithium diatomic li2  
164 Li2- lithium diatomic anion li2-  
165 Li2+ lithium diatomic cation li2+  
166 NaLi- lithium sodium anion lina-  
167 NaLi+ lithium sodium cation lina+  
168 LiK Lithium Potassium lik  
169 NaK Sodium Potassium nak  
170 NaK+ Sodium Potassium diatomic cation nak+  
171 K2 Potassium diatomic k2  
172 Cu2 Copper diatomic cu2  
173 LiBe Lithium Beryllium libe  
174 LiMg Lithium magnesium limg  
175 NaBe Sodium Beryllium nabe  
176 NaMg Sodium Magnesium namg  
177 Be2 Beryllium diatomic be2  
178 Be2- Beryllium diatomic anion be2-  
179 Be2+ Beryllium diatomic cation be2+  
180 BeMg Beryllium Magnesium bemg  
181 Mg2 Magnesium diatomic mg2  
182 Mg2- magnesium diatomic anion mg2-  
183 Mg2+ magnesium diatomic cation mg2+  
184 Ca2 Calcium diatomic ca2  
185 LiB Lithium boride lib  
186 BeB Beryllium monoboride beb  
187 B2 Boron diatomic b2  
188 B2- Boron diatomic anion b2-  
189 B2+ Boron diatomic cation b2+  
190 BAl Boron Aluminum bal  
191 Al2 Aluminum diatomic al2  
192 Al2- aluminum diatomic anion al2-  
193 Al2+ aluminum diatomic cation al2+  
194 BGa Boron Gallium bga  
195 AlGa Aluminum Gallium alga  
196 Ga2 Gallium diatomic ga2  
197 LiBH4 Lithium borohydride libh4  
198 Al2H6 dialane al2h6  
199 Ga2H6 digallane ga2h6  
200 LiC Lithium Carbide lic  
201 BeC Beryllium Carbide bec  
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 CH2BH methyleneborane ch2bh  
222 C2H3- vinyl anion c2h3-  
223 C2H4- Ethylene anion c2h4-  
224 CH3CH methylmethylene ch3ch  
225 CH2SiH2 silaethylene ch2sih2  
226 CH3BH2 methylborane ch3bh2  
227 C2H5- Ethyl anion c2h5-  
228 C2H5+ Ethyl cation c2h5+  
229 C2H6+ ethane cation c2h6+  
230 CH3SiH3 methyl silane ch3sih3  
231 GeH3CH3 methyl germane geh3ch3  
232 C2H7+ Ethane, protonated c2h7+  
233 LiN+ Lithium Nitride cation lin+  
234 BeN Beryllium mononitride ben  
235 BeN- Beryllium mononitride anion ben-  
236 BeN+ Beryllium mononitride cation ben+  
237 BN- boron nitride anion bn-  
238 AlN- aluminum mononitride anion aln-  
239 AlN+ aluminum mononitride cation aln+  
240 BP Boron monophosphide bp  
241 AlP Aluminum monophosphide alp  
242 GaN Gallium mononitride gan  
243 GaP Gallium monophosphide gap  
244 BN boron nitride bn  
245 BN+ boron nitride cation bn+  
246 AlN Aluminum nitride aln  
247 CN- cyanide anion cn-  
248 CN+ Cyano cation cn+  
249 CP Carbon monophosphide cp  
250 CP- carbon monophosphide anion cp-  
251 CP+ carbon monophosphide cation cp+  
252 SiN Silicon nitride sin  
253 SiN- silicon mononitride anion sin-  
254 SiN+ silicon mononitride cation sin+  
255 SiP- Silicon monophosphide anion sip-  
256 SiP+ Silicon monophosphide cation sip+  
257 TiN Titanium mononitride tin  
258 N2+ diatomic nitrogen cation n2+  
259 PN- phosphorus nitride anion pn-  
260 PN+ phosphorus nitride cation pn+  
261 P2 Phosphorus diatomic p2  
262 P2- phosphorus diatomic anion p2-  
263 P2+ phosphorus diatomic cation p2+  
264 AsN Arsenic mononitride asn  
265 AsP Arsenic monophosphide asp  
266 SbN Antimony nitride sbn  
267 As2 Arsenic diatomic as2  
268 HNB hydrogen nitrogen boron hnb  
269 HNC hydrogen isocyanide hnc  
270 HCN- Hydrogen cyanide anion hcn-  
271 HCP Phosphaethyne hcp  
272 NNH Dinitrogen monohydride nnh  
273 HPO Hydrogen phosphorus oxide hpo  
274 HPO+ Hydrogen phosphorus oxide cation hpo+  
275 CNH2 Aminomethylidyne radical cnh2  
276 CNH2+ N-protonated hydrogen isocyanide cnh2+  
277 H2CN Dihydrogen cyanide radical h2cn  
278 H2CN+ hydrocyanonium cation h2cn+  
279 HCNH methyleneazane hcnh  
280 HCNH+ N-protonated HCN hcnh+  
281 N2H2 (E)-diazene n2h2  
282 N2H2 (Z)-Diazene n2h2z  
283 CH2PH Phosphaethene ch3p  
284 CH2NH2+ methyleneamine cation ch2nh2+  
285 N2H4+ hydrazine cation n2h4+  
286 P2H4 Diphosphine p2h4  
287 CH3NH2+ methyl amine cation ch3nh2+  
288 CH3PH2 Methyl phosphine ch3ph2  
289 CH3NH3+ protonated methylamine ch3nh3+  
290 CH3PH3+ methyl phosphine, protonated ch3ph3+  
291 NH3NH3 Ammonia Dimer nh3nh3  
292 LiO lithium oxide lio  
293 LiO- lithium oxide anion lio-  
294 LiO+ lithium oxide cation lio+  
295 LiS Lithium monosulfide lis  
296 LiS+ Lithium sulfide cation lis+  
297 NaO sodium monoxide nao  
298 NaO- sodium oxide anion nao-  
299 NaO+ sodium oxide cation nao+  
300 KO Potassium monoxide ko  
301 KO+ Potassium monoxide cation ko+  
302 NaS Sodium sulfide nas  
303 CuO Copper Monoxide cuo  
304 BeO beryllium oxide beo  
305 BeO- Beryllium monoxide anion beo-  
306 BeO+ Beryllium monoxide cation beo+  
307 BeS beryllium sulfide bes  
308 MgO magnesium oxide mgo  
309 MgO- magnesium oxide anion mgo-  
310 MgO+ magnesium oxide cation mgo+  
311 MgS magnesium sulfide mgs  
312 MgS- magnesium sulfide anion mgs-  
313 MgS+ magnesium sulfide cation mgs+  
314 ZnO zinc monoxide zno  
315 ZnS Zinc sulfide zns  
316 BeS- Beryllium monosulfide anion bes-  
317 BeS+ Beryllium monosulfide cation bes+  
318 BO- boron monoxide anion bo-  
319 AlO Aluminum monoxide alo  
320 AlO- Aluminum monoxide anion alo-  
321 AlO+ aluminum monoxide cation alo+  
322 BS boron sulfide bs  
323 BS- boron monosulfide anion bs-  
324 BS+ boron monosulfide cation bs+  
325 AlS Aluminum sulfide als  
326 AlS- aluminum monosulfide anion als-  
327 AlS+ aluminum monosulfide cation als+  
328 ScO Scandium monoxide sco  
329 BO+ boron monoxide cation bo+  
330 CS carbon monosulfide cs  
331 CS- carbon monosulfide anion cs-  
332 CS+ carbon monosulfide cation cs+  
333 SiO- silicon monoxide anion sio-  
334 SiO+ silicon monoxide cation sio+  
335 SiS- silicon monosulfide anion sis-  
336 SiS+ silicon monosulfide cation sis+  
337 TiO Titanium monoxide tio  
338 CSe- Carbon monoselenide anion cse-  
339 CSe+ Carbon monoselenide cation cse+  
340 GeO+ Germanium monoxide cation geo+  
341 GeS Germanium monosulfide ges  
342 NS Mononitrogen monosulfide ns  
343 NS- nitrogen sulfide anion ns-  
344 NS+ nitrogen sulfide cation ns+  
345 PO- phosphorus monoxide anion po-  
346 PO+ phosphorus monoxide cation po+  
347 PS- phosphorus monosulfide anion ps-  
348 PS+ phosphorus monosulfide cation ps+  
349 VO Vanadium monoxide vo  
350 AsO Arsenic monoxide aso  
351 O2+ diatomic oxygen cation o2+  
352 SO- sulfur monoxide anion so-  
353 S2- sulfur diatomic anion s2-  
354 S2+ sulfur diatomic cation s2+  
355 SeO- selenium monoxide anion seo-  
356 SeO+ selenium monoxide cation seo+  
357 SeS Selenium monosulfide ses  
358 SeS- selenium monosulfide anion ses-  
359 SeS+ selenium monosulfide cation ses+  
360 Se2- selenium diatomic anion se2-  
361 Se2+ selenium diatomic cation se2+  
362 NaOH sodium hydroxide naoh  
363 MgOH magnesium hydroxide mgoh  
364 CaOH Calcium monohydroxide caoh  
365 COH+ Carbon Monoxide, protonated coh+  
366 HCS Thioformyl radical hcs  
367 HCS- Thioformyl anion hcs-  
368 HCS+ Thioformyl cation hcs+  
369 HNO- Nitrosyl hydride anion hno-  
370 NOH Hydroxyimidogen noh  
371 NOH+ O-protonated nitric oxide noh+  
372 HNS Sulfur imide hns  
373 HNS- Sulfur imide anion hns-  
374 HO2 Hydroperoxy radical ho2  
375 HO2- Hydroperoxy anion ho2-  
376 HS2 Thiosulfeno radical hs2  
377 HOCH hydroxycarbene hoch  
378 H2NO nitroxide h2no  
379 H2O2+ Hydrogen peroxide cation h2o2+  
380 CH2OH Hydroxymethyl radical ch2oh  
381 CH3O Methoxy radical ch3o  
382 CH3O+ Methoxy cation ch3o+  
383 CH3S thiomethoxy ch3s  
384 H2CSH+ Thioformaldehyde, protonated h2csh+  
385 NH3O Ammonia Oxide nh3o  
386 H2POH Phosphinous acid h2poh  
387 H3PO Phosphine oxide h3po  
388 H3O2+ hydrogen peroxide, protonated h3o2+  
389 CH3OH- Methyl alcohol anion ch3oh-  
390 CH3SH+ Methanethiol cation ch3sh+  
391 CH3SeH Methane selenol ch3seh  
392 H2OH2O water dimer h2oh2o  
393 CH3OH2+ Methanol, protonated ch3oh2+  
394 H2ONH3 Water Ammonia Dimer h2onh3  
395 LiCl- lithium chloride anion licl-  
396 LiCl+ lithium chloride cation licl+  
397 NaF sodium fluoride naf  
398 NaF- sodium fluoride anion naf-  
399 KF Potassium Fluoride kf  
400 NaCl Sodium Chloride nacl  
401 NaCl- sodium chloride anion nacl-  
402 NaCl+ sodium chloride cation nacl+  
403 KCl Potassium Chloride kcl  
404 CuF Copper monofluoride cuf  
405 LiBr- lithium bromide anion libr-  
406 LiBr+ lithium bromide cation libr+  
407 CuCl Copper monochloride cucl  
408 NaBr Sodium Bromide nabr  
409 NaBr- sodium bromide anion nabr-  
410 NaBr+ sodium bromide cation nabr+  
411 KBr Potassium Bromide kbr  
412 KI Potassium Iodide ki  
413 LiF- lithium fluoride anion lif-  
414 BeF Beryllium monofluoride bef  
415 BeF- Beryllium monofluoride anion bef-  
416 BeF+ Beryllium monofluoride cation bef+  
417 BeCl beryllium monochloride becl  
418 MgF Magnesium monofluoride mgf  
419 MgF- magnesium fluoride anion mgf-  
420 MgF+ magnesium fluoride cation mgf+  
421 CaF Calcium monofluoride caf  
422 MgCl magnesium monochloride mgcl  
423 MgCl- magnesium monochloride anion mgcl-  
424 MgCl+ magnesium monochloride cation mgcl+  
425 CaCl calcium monochloride cacl  
426 TiCl Titanium Monochloride ticl  
427 ZnF Zinc monofluoride znf  
428 ZnF- Zinc monofluoride anion znf-  
429 ZnF+ Zinc monofluoride cation znf+  
430 ZnCl Zinc monochloride zncl  
431 BeCl- beryllium monochloride anion becl-  
432 BeCl+ beryllium monochloride cation becl+  
433 BF- Boron monofluoride anion bf-  
434 BF+ Boron monofluoride cation bf+  
435 AlF- Aluminum monofluoride anion alf-  
436 AlF+ Aluminum monofluoride cation alf+  
437 BCl boron monochloride bcl  
438 BCl- boron monochloride anion bcl-  
439 BCl+ boron monochloride cation bcl+  
440 AlCl Aluminum monochloride alcl  
441 AlCl- aluminum monochloride anion alcl-  
442 AlCl+ aluminum monochloride cation alcl+  
443 ScF Scandium monofluoride scf  
444 BBr Boron monobromide bbr  
445 GaF+ Gallium monofluoride cation gaf+  
446 GaCl+ Gallium monochloride cation gacl+  
447 CF- carbon monofluoride anion cf-  
448 CF+ carbon monofluoride cation cf+  
449 CCl carbon monochloride ccl  
450 CCl- carbon monochloride anion ccl-  
451 CCl+ carbon monochloride cation ccl+  
452 SiF silicon monofluoride sif  
453 SiF- silicon monofluoride anion sif-  
454 SiF+ silicon monofluoride cation sif+  
455 SiCl- silicon monochloride anion sicl-  
456 SiCl+ silicon monochloride cation sicl+  
457 NF nitrogen fluoride nf  
458 NF- nitrogen monofluorine anion nf-  
459 NF+ nitrogen monofluoirde cation nf+  
460 NCl- nitrogen monochloride anion ncl-  
461 NCl+ nitrogen monochloride cation ncl+  
462 PF phosphorus monofluoride pf  
463 PF- phosphorus monofluoride anion pf-  
464 PF+ phosphorus monofluoride cation pf+  
465 PCl phosphorus chloride pcl  
466 PCl- phosphorus monochloride anion pcl-  
467 PCl+ phosphorus monochloride cation pcl+  
468 AsF Arsenic monofluoride asf  
469 NBr nitrogen monobromide nbr  
470 SbF Antimony monofluoride sbf  
471 SbCl Antimony monochloride sbcl  
472 FO Oxygen monofluoride fo  
473 FO- flourine oxide anion fo-  
474 FO+ fluorine monoxide cation fo+  
475 ClO- chlorine monoxide anion clo-  
476 SF- sulfur monofluoride anion sf-  
477 SCl sulfur monochloride scl  
478 SCl- sulfur monochloride anion scl-  
479 BrO- Bromine monoxide anion bro-  
480 SeF Selenium monofluoride sef  
481 IO Iodine monoxide io  
482 ClF- clorine monofluoride anion clf-  
483 Cl2 Chlorine diatomic cl2  
484 Cl2- chlorine diatomic anion cl2-  
485 BrF- bromine fluoride anion brf-  
486 BrF+ bromine fluoride cation brf+  
487 BrCl- bromine chloride anion brcl-  
488 BrCl+ bromine chloride cation brcl+  
489 IF Iodine monofluoride if  
490 ICl Iodine monochloride icl  
491 IBr Iodine monobromide ibr  
492 I2 Iodine diatomic i2  
493 I2+ Iodine diatomic cation i2+  
494 HCCl Chloromethylene hccl  
495 CHBr bromomethylene chbr  
496 DOCl Hypochlorous acid-d docl  
497 HOBr Hypobromous acid hobr  
498 HOBr+ Hypobromous acid cation hobr+  
499 FHF Hydrogen difluoride fhf  
500 FHF- Hydrogen difluoride anion fhf-  
501 NH2F monofluoroamine nh2f  
502 H2F2 Hydrogen fluoride dimer h2f2  
503 CD3F methylfluoride-d3 cd3f  
504 CD3Cl methyl chloride d3 cd3cl  
505 CH3I methyl iodide ch3i  
506 Ne2 Neon diatomic ne2  
507 Ne2+ Neon diatomic cation ne2+  
508 Ar2+ Argon diatomic cation ar2+  
509 Li3 Lithium trimer li3  
510 Li3+ Lithium trimer cation li3+  
511 C3+ carbon trimer cation c3+  
512 C3H3 cyclopropenyl radical cpr  
513 C3H3 Propargyl radical propargyl  
514 C3H3- Propargyl anion c3h3-  
515 C3H3+ cyclopropenyl cation cpr+  
516 C3H3+ Propargyl cation c3h3+  
517 C3H5 Allyl radical allyl  
518 C3H5+ Allyl cation allyl+  
519 CH3CHCH 1-propenyl radical ch3chch  
520 Zn(CH3)2 dimethyl zinc dmz  
521 SiH2(CH3)2 dimethylsilane dms  
522 NaCN Sodium Cyanide nacn  
523 CuCN Copper cyanide cucn  
524 CN2 3H-Diazirin-3-ylidene cn2  
525 NCN Cyanoimidogen ncn  
526 N3- azide anion n3-  
527 HCCN cyanomethylene hccn  
528 HCNN diazomethyl radical hcnn  
529 CH2N2 diazirine ch2n2  
530 CH2NN diazomethane ch2nn  
531 NH2CN cyanamide cyanamide  
532 CH3CN+ Acetonitrile cation ch3cn+  
533 CH3NC methyl isocyanide ch3nc  
534 HNCNH2+ diiminomethane, protonated hncnh2+  
535 NCNH3+ Cyanamide, protonated ncnh3+  
536 CH2CHNH vinylazine ch2chnh  
537 CH3CHN methylmethaniminyl radical ch3chn  
538 NHCHNH2 aminomethanimine cn2h4  
539 C2H5N Aziridine c2h5n  
540 CH2CHNH2 aminoethene aminoethene  
541 CH2NCH3 N-methylmethanimine nmm  
542 CH3CHNH ethanimine ethanimine  
543 NH2BHNH2 diaminoborane nh2bhnh2  
544 C2H5NH+ Protonated Aziridine c2h5nh+  
545 NH2CH2NH2 diaminomethane nh2ch2nh2  
546 CH3NHCH3 Dimethylamine ch3nhch3  
547 NH2CH2NH3+ diaminoethane, protonated pdam  
548 (CH3)2NH2+ dimethylammonium cation dmam  
549 CH3CH2NH3+ ethylamine, protonated pea  
550 Li2O+ dilithium oxide cation li2o+  
551 Li2S dilithium sulfide li2s  
552 CCO Dicarbon monoxide cco  
553 CNO- fulminate cno-  
554 NCO- cyanate nco-  
555 SCN thiocyanato radical scn  
556 SCN- thiocyanide anion scn-  
557 BO2 Boron dioxide bo2  
558 BO2- Boron dioxide anion bo2-  
559 BO2+ Boron dioxide cation bo2+  
560 N2O- Nitrous oxide anion n2o-  
561 N2O+ Nitrous oxide cation n2o+  
562 NNS Nitrogen sulfide nns  
563 PPO Phosphorus oxide phosphide ppo  
564 CO2- Carbon dioxide anion co2-  
565 CO2+ Carbon dioxide cation co2+  
566 OCS+ Carbonyl sulfide cation cos+  
567 SiO2 silicon dioxide sio2  
568 CS2- Carbon disulfide anion cs2-  
569 CS2+ Carbon disulfide cation cs2+  
570 TiO2 Titanium dioxide tio2  
571 SiS2 Silicon disulfide sis2  
572 GeS2 Germanium disulfide ges2  
573 CSe2 Carbon diselenide cse2  
574 NO2- Nitrogen dioxide anion no2-  
575 PO2 Phosphorus dioxide po2  
576 PO2- Phosphorus dioxide anion po2-  
577 PO2+ Phosphorus dioxide cation po2+  
578 AsO2 Aresenic dioxide aso2  
579 O3- Ozone anion o3-  
580 O3+ Ozone cation o3+  
581 SO2- Sulfur dioxide anion so2-  
582 SO2+ Sulfur dioxide cation so2+  
583 S3- Sulfur trimer anion s3-  
584 S3+ Sulfur trimer cation s3+  
585 SeO2+ Selenium dioxide cation seo2+  
586 CS2H+ Carbon disulfide, protonated cs2h+  
587 HNCO Isocyanic acid hnco  
588 HOCN cyanic acid hocn  
589 HCO2- formate anion hco2-  
590 HNNO nitrosoazane hnno  
591 HNNO+ Nitrous oxide, N-protonated hnno+  
592 NNOH+ Nitrous Oxide, O-protonated nnoh+  
593 HCOO formate neutral radical hcoo  
594 HOCO+ Hydrocarboxyl cation hoco+  
595 HNO2 Nitrous acid hno2  
596 HNO2+ nitrous acid cation hno2+  
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 CH2BOH hydroxy(methylene)borane ch2boh  
606 CH3BO Borane, methyloxo- ch3bo  
607 CH2CHO Vinyloxy radical ch2cho  
608 CH3CO Acetyl radical ch3co  
609 CH3CO- Acetyl anion ch3co-  
610 CH3CO+ acetyl cation ch3co+  
611 CH2NOH formaldoxime ch2noh  
612 CH3NO nitrosomethane ch3no  
613 CHONH2 formamide formamide  
614 CNOH3 1,2-oxaziridine cnoh3  
615 CH2OOH CH2OOH radical ch2ooh  
616 CH3OO methylperoxy radical ch3oo  
617 CH3OO- methylperoxy anion ch3oo-  
618 CH3OO+ methylperoxy cation ch3oo+  
619 CH2CHOH ethenol ch2choh  
620 H2CONH2+ protonated formamide h2conh2+  
621 NH3CHO+ Formamide, N-Protonated nh3cho+  
622 CH2(OH)2 methanediol ch2o2h2  
623 CH3OOH Methyl peroxide ch3ooh  
624 H2OH2CO water formaldehyde dimer h2oh2co  
625 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
626 CH3CH2O Ethoxy radical ethoxy  
627 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
628 CH3CHOH+ acetaldehyde, protonated ch3choh+  
629 CH3OCH2 methoxymethyl radical ch3och2  
630 CH3OHH2O methanol water dimer ch3ohh2o  
631 H2OCH3OH water methanol dimer h2och3oh  
632 CuF2 Copper difluoride cuf2  
633 ZnF2 Zinc difluoride znf2  
634 FCN Cyanogen fluoride fcn  
635 ClCN chlorocyanogen clcn  
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 CaF2 Calcium difluoride caf2  
643 FCO Carbonyl fluoride fco  
644 FCO+ Carbonyl fluoride cation fco+  
645 ClCO carbonyl monochloride clco  
646 BrNO Nitrosyl bromide brno  
647 CF2- Difluoromethylene anion cf2-  
648 CF2+ Difluoromethylene cation cf2+  
649 SiF2+ Silicon difluoride cation sif2+  
650 CCl2 dichloromethylene ccl2  
651 CCl2- dichloromethylene anion ccl2-  
652 CCl2+ dichloromethylene cation ccl2+  
653 SiCl2 Dichlorosilylene sicl2  
654 GeF2 Germanium difluoride gef2  
655 FOO Dioxygen monofluoride radical foo  
656 ClOO chloroperoxy radical cloo  
657 ClOO+ chloroperoxy cation cloo+  
658 OClO+ Chlorine dioxide cation oclo+  
659 ClS2 Sulfur chloride cls2  
660 NF2 Difluoroamino radical nf2  
661 NF2+ Difluoroamino cation nf2+  
662 F2O Difluorine monoxide f2o  
663 SF2- sulfur difluoride anion sf2-  
664 SF2+ sulfur difluoride cation sf2+  
665 Cl2O Dichlorine monoxide cl2o  
666 SCl2 Sulfur dichloride scl2  
667 BrOCl Bromine hypochlorite brocl  
668 BrOBr Bromine oxide brobr  
669 F3- trifluoride anion f3-  
670 Cl3- trichloride anion cl3-  
671 HCCF+ fluoroacetylene cation hccf+  
672 HCCCl Chloroacetylene hcccl  
673 HFCO formyl fluoride hfco  
674 HFCO+ formyl fluoride cation hfco+  
675 COHCl Formyl chloride cohcl  
676 COHBr Formyl bromide cohbr  
677 BHF2 Difluoroborane bhf2  
678 BHCl2 Borane, dichloro- bhcl2  
679 CHCl2 dichloromethyl radical chcl2  
680 HOClO Chlorous acid hoclo  
681 CH2FCl fluorochloromethane ch2fcl  
682 SiH2Cl2 dichlorosilane sih2cl2  
683 CH2CHF+ fluoroethene cation ch2chf+  
684 C2H3Cl Ethene, chloro- ch2chcl  
685 C2H3Br vinyl bromide c2h3br  
686 CH3OCl methyl hypochlorite ch3ocl  
687 C2H5F fluoroethane c2h5f  
688 CH3CH2Cl Ethyl chloride c2h5cl  
689 CH3SiFH2 fluoromethylsilane ch3sifh2  
690 C2H5I Ethyl iodide c2h5i  
691 KrF2 Krypton difluoride krf2  
692 B4H10 Tetraborane(10) b4h10  
693 C4+ Carbon tetramer cation c4+  
694 C4H2 Diacetylene c4h2  
695 C2H3CCH 1-Buten-3-yne c2h3cch  
696 C4H4 cyclobutadiene cbd  
697 H2CCCCH2 Butatriene h2cccch2  
698 C4H6 Cyclobutene c822355  
699 C4H6 Methylenecyclopropane c6142730  
700 CH2CCHCH3 1,2-Butadiene butad12  
701 CH2CHCHCH2 1,3-Butadiene c106990  
702 CH3CCCH3 2-Butyne c503173  
703 CHCCH2CH3 1-Butyne c107006  
704 CH3CHCHCH2 methylallyl radical c4h7  
705 C4H8 methylcyclopropane mcp  
706 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
707 CH3CHCHCH3 2-Butene, (E)- bute2e  
708 CH3CHCHCH3 2-Butene, (Z)- bute2z  
709 B(CH3)3 trimethylborane bme3  
710 Al(CH3)3 trimethyl aluminum tma  
711 C(CH3)3 Tert-butyl radical tbutyl  
712 CH2CH(CH3)2 Isobutyl radical isobutyl  
713 CH3CHCH2CH3 2-Butyl radical butyl2  
714 CH3CH(CH3)CH3 Isobutane isobutane  
715 SiH(CH3)3 trimethylsilane trimsi  
716 Li3N trilithium nitride li3n  
717 C2N2 Cyanogen c2n2  
718 C2N2+ Cyanogen cation c2n2+  
719 P4 Phosphorus tetramer p4  
720 HCCCN Cyanoacetylene hcccn  
721 C3H3N acrylonitrile ch2chcn  
722 C3H3N+ acrylonitrile cation ch2chcn+  
723 CH3N3 methyl azide ch3n3  
724 CH3NHN2+ methyl azide, protonated ch3nhn2+  
725 CH5N3 Guanidine guanidine  
726 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
727 CH6N3+ guanidinium ch6n3+  
728 C3H7N Cyclopropylamine cpram  
729 C3H7N Azetidine azet  
730 C4H8 cyclobutane cbutane  
731 C2H8N2 Ethylenediamine ethdiam  
732 CH3NHNHCH3 dimethyl hydrazine dmh  
733 CH3CH(NH2)CH3 2-Propanamine pram2  
734 N(CH3)3 Trimethylamine trimeam  
735 P(CH3)3 trimethylphosphine tmp  
736 As(CH3)3 trimethyl arsine tmas  
737 Li2O2 dilithium dioxide li2o2  
738 Na2O2 disodium dioxide na2o2  
739 B2O2 Diboron dioxide b2o2  
740 CO3 Carbon trioxide co3  
741 CO3-- carbonate co3--  
742 NO3 Nitrogen trioxide no3  
743 NO3- nitrate anion no3-  
744 NO3+ nitrogen trioxide cation no3+  
745 SO3- Sulfur trioxide anion so3-  
746 SO3+ Sulfur trioxide cation so3+  
747 SeO3 selenium trioxide seo3  
748 HCO3- bicarbonate anion hco3-  
749 HSO3 Hydroxysulfonyl radical hso3  
750 NH2NO2 nitramide nh2no2  
751 C2H2CO cyclopropenone c2h2co  
752 HCCCHO 2-propynal hcccho  
753 C2H2O2+ Ethanedial cation c2h2o2+  
754 H2CO3 Carbonic acid h2co3  
755 H2CS3 thiocarbonic acid h2cs3  
756 H2NO3+ Nitric Acid, Protonated h2no3+  
757 H2SO3 Sulfurous acid h2so3  
758 CH3COO- acetate anion ch3coo-  
759 CH3ONO Methyl nitrite ch3ono  
760 NH2COOH Carbamic acid nh2cooh  
761 H3BO3 Boric acid h3bo3  
762 H3CO3+ carbonic acid, protonated h3co3+  
763 C3H4O 2-Propyn-1-ol c107197  
764 C3H4O allenol c9000071  
765 C3H4O Cyclopropanone cpone  
766 C3H4O Methylketene c6004440  
767 NH2CONH2 Urea urea  
768 NH2CONH2+ Urea cation urea+  
769 NH2CSNH2 Thiourea thiourea  
770 C2H4O2 1,3-dioxetane c2h4o2  
771 CH3COOH Acetic acid ch3cooh  
772 CH3OCHO methyl formate ch3ocho  
773 CHOCH2OH hydroxy acetaldehyde haa  
774 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
775 NH3COOH+ protonated Carbamic acid nh3cooh+  
776 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
777 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
778 HCOOHH2O Formic acid water dimer hcoohh2o  
779 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
780 CH3COCH2 Acetonyl radical ch3coch2  
781 CH3CHNOH Acetaldoxime acetaldoxime  
782 CH3CONH2 Acetamide acetamide  
783 HCONHCH3 N-methylformamide nmfa  
784 CH5N2O+ urea, N-protonated ch4n2o+  
785 H2NCOHNH2+ urea, protonated ureah+  
786 C2H5OO ethylperoxy radical c2h5oo  
787 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
788 C3H6O 2-Propen-1-ol c107186  
789 C3H6O Oxetane oxetane  
790 C3H6O Propylene oxide prox  
791 CH3COCH3- acetone anion ch3coch3-  
792 C3H6S Thietane thietane  
793 C3H6S Thiirane, methyl- methiirane  
794 CH3CSCH3 Thioacetone ch3csch3  
795 C2H6O2 1,2-Ethanediol ethdiol  
796 CH3OOCH3 dimethylperoxide dmp  
797 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
798 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
799 CH3COHCH3+ acetone, protonated acetoneh+  
800 HOCH2CH2NH2 monoethanolamine mea  
801 CH3CHOHCH3 Isopropyl alcohol isoproh  
802 CH3OC2H5 Ethane, methoxy- etome  
803 C3H7SH 1-Propanethiol prsh  
804 CH3CHSHCH3 2-Propanethiol isoprsh  
805 CH3SCH2CH3 Ethane, (methylthio)- etsme  
806 H2OCH3OCH3 water dimethylether dimer h2och3och3  
807 Na2F2 Sodium Fluoride Dimer na2f2  
808 Na2Cl2 Disodium dichloride na2cl2  
809 C2F2 difluoroacetylene c2f2  
810 C2Cl2 dichloroacetylene c2cl2  
811 C2Cl2+ dichloroacetylene cation c2cl2+  
812 ClNO2 Nitryl chloride clno2  
813 ClONO chlorine nitrite clono  
814 BrONO Bromine nitrite brono  
815 N2F2 (Z)-Difluorodiazene n2f2_z  
816 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
817 COFCl Carbonic chloride fluoride cofcl  
818 CCl2O Phosgene cl2co  
819 Cl2CS Thiophosgene cl2cs  
820 COBr2 Carbonic dibromide cobr2  
821 BF3 Borane, trifluoro- bf3  
822 BF3- Borane, trifluoro- anion bf3-  
823 AlF3 Aluminum trifluoride alf3  
824 AlF2Cl Aluminum chloride difluoride alclf2  
825 ScF3 Scandium trifluoride ScF3  
826 AlFCl2 Aluminum dichloride fluoride alcl2f  
827 AlCl3 Aluminum trichloride alcl3  
828 BBr3 Boron tribromide bbr3  
829 AlBr3 Aluminum Bromide albr3  
830 ClO3 Chlorine trioxide clo3  
831 ClO3- chlorate anion clo3-  
832 BrO3- Bromate anion bro3-  
833 CF3 Trifluoromethyl radical cf3  
834 CF3- Trifluoromethyl anion cf3-  
835 CF3+ Trifluoromethyl cation cf3+  
836 SiF3 Silicon trifluoride radical sif3  
837 SiF3+ Silicon trifluoride cation sif3+  
838 CCl3 Trichloromethyl radical ccl3  
839 CCl3- Trichloromethyl anion ccl3-  
840 CCl3+ Trichloromethyl cation ccl3+  
841 SiCl3 trichlorosilyl radical sicl3  
842 SiCl3+ trichlorosilyl cation sicl3+  
843 FOOF Perfluoroperoxide foof  
844 F2SO Thionyl Fluoride f2so  
845 ClOOCl Dichlorine dioxide cloocl  
846 FSSF Difluorodisulfane fssf  
847 S2F2 Thio-thionyl fluoride s2f2  
848 SOCl2 thionyl chloride socl2  
849 SeOCl2 selenium oxychloride seocl2  
850 NF3- Nitrogen trifluoride anion nf3-  
851 NF3+ Nitrogen trifluoride cation nf3+  
852 PF3 Phosphorus trifluoride pf3  
853 AsF3 Arsenic trifluoride asf3  
854 PCl3 Phosphorus trichloride pcl3  
855 AsCl3 Arsenous trichloride ascl3  
856 SbCl3 Antimony Trichloride sbcl3  
857 PBr3 Phosphorus tribromide pbr3  
858 AsBr3 Arsenic tribromide asbr3  
859 ClSSCl Disulfur dichloride s2cl2  
860 SF3 Sulfur trifluoride sf3  
861 ClF3 Chlorine trifluoride clf3  
862 BrF3 Bromine trifluoride brf3  
863 CHF2Cl difluorochloromethane chf2cl  
864 CHFCl2 fluorodichloromethane chfcl2  
865 CDCl3 trichloromethane-d cdcl3  
866 SiHCl3 Trichlorosilane sihcl3  
867 CHCl2I dichloroiodomethane chcl2i  
868 CHClBr2 Methane, dibromochloro- chclbr2  
869 CHBr3 bromoform chbr3  
870 CHI3 Iodoform chi3  
871 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
872 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
873 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
874 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
875 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
876 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
877 C2H2Br2 1,1-dibromoethene c2h2br2  
878 CH2FCHO Fluoroacetaldehyde ch2fcho  
879 CH3COF Acetyl fluoride ch3cof  
880 CH2ClCHO chloroacetaldehyde ch2clcho  
881 CH3COCl Acetyl Chloride ch3cocl  
882 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
883 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
884 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
885 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
886 CH2CFCH3 2-fluoropropene 2fpro  
887 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
888 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
889 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
890 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
891 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
892 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
893 CH3CH2CH2Br n-propyl bromide prbr  
894 CH3CHBrCH3 i-propyl bromide iprbr  
895 C3H9O+ trimethyl oxonium cation c3h9o+  
896 C5H5 cyclopentadienyl radical c5h5  
897 C5H5- cylopentadienyl anion c5h5-  
898 C5H6 1,3-Cyclopentadiene c542927  
899 C5H6 1-Buten-3-yne, 2-methyl- c78808  
900 C5H6 3-Penten-1-yne, (E)- c2004695  
901 C5H6 3-Penten-1-yne, (Z)- c1574409  
902 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
903 C5H6 Cyclopropylacetylene c6746947  
904 C5H7 1,3-pentadienyl radical pdyl  
905 C5H7 cyclopentenyl radical cpyl  
906 C5H8 1,2-Butadiene, 3-methyl- c598254  
907 C5H8 1,2-Pentadiene c591957  
908 C5H8 1,3-Butadiene, 2-methyl- c78795  
909 C5H8 1,3-Pentadiene, (E)- c2004708  
910 C5H8 1,3-Pentadiene, (Z)- c1574410  
911 C5H8 1,4-Pentadiene c591935  
912 C5H8 1-pentyne a1pentyne  
913 C5H8 2,3-Pentadiene c591968  
914 C5H8 Cyclobutane, methylene- c1120565  
915 C5H8 Cyclopentene c142290  
916 C5H8 Ethenylcyclopropane c693867  
917 CH3CCCH2CH3 2-Pentyne 2pentyne  
918 C5H10 1-Butene, 2-methyl- c563462  
919 C5H10 2-Butene, 2-methyl- c513359  
920 C5H10 2-Pentene, (E)- c646048  
921 C5H10 2-Pentene, (Z)- c627203  
922 C5H10 Cyclopentane c287923  
923 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
924 CH2CHCH2CH2CH3 1-pentene pentene  
925 C5H11 2-Methylbut-2-yl radical c4348350  
926 C5H12 Butane, 2-methyl- buta2  
927 C5H12 Pentane pentane  
928 C5H12 Propane, 2,2-dimethyl- neopentane  
929 Si(CH3)4 tetramethylsilane tms  
930 N2O3 Dinitrogen trioxide n2o3  
931 C3H2N2 Malononitrile c3h2n2  
932 CH2N4 1H-Tetrazole 1htz  
933 C3H3N2 imidazolyl radical im  
934 C3H3N2- imidizolyl anion im-  
935 C2H3N3 1H-1,2,4-Triazole c288880  
936 C4H4N pyrrolide radical c4h4n  
937 C4H4N- pyrrolide anion c4h4n-  
938 C3H4N2 1H-Imidazole 1himidaz  
939 C3H4N2 1H-Pyrazole 1hpyraz  
940 C3H4N2 4H-Imidazole imid4h  
941 C4H5N (E)-2-Butenenitrile c627269  
942 C4H5N (Z)-2-Butenenitrile c1190767  
943 C4H5N 2H-pyrrole pyrrole2  
944 C4H5N 3H-pyrrole pyrrole3  
945 C4H5N Cyclopropanecarbonitrile c5500210  
946 CH2CHCH2CN Allylcyanide ch2chch2cn  
947 C4H6N+ pyrrole, alpha-protonated appyr  
948 C4H6N+ pyrrole, protonated ppyr  
949 C3H6N2 3-Aminopropionitrile c151188  
950 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
951 CH3CH2CH2CN Butanenitrile c109740  
952 C5H8 Bicyclo[2.1.0]pentane c185944  
953 C5H8 Spiropentane c157404  
954 C4H9N Cyclobutylamine cbam  
955 C4H9N Pyrrolidine pyrrolidine  
956 C3H10N2 1,2-Diaminopropane diampr12  
957 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
958 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
959 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
960 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
961 NH(C2H5)2 diethylamine dea  
962 NC4H12+ tetramethyl ammonium cation nc4h12+  
963 C3O2+ Carbon suboxide cation c3o2+  
964 MgCO3 Magnesium Carbonate mgco3  
965 BeCO3 Beryllium Carbonate beco3  
966 CaCO3 Calcium Carbonate caco3  
967 ONONO Nitrosyl nitrite onono  
968 PO4--- phosphate po4---  
969 SO4-- sulfate so4--  
970 HOONO2 peroxy nitric acid hoono2  
971 HSO4- bisulfate anion hso4-  
972 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
973 C3H2O2 Propiolic acid c3h2o2  
974 CHOCOOH oxo acetic acid oaa  
975 H2SO4 Sulfuric acid h2so4  
976 H2SeO4 Selenic acid h2seo4  
977 C3H3NO Oxazole oxazole  
978 CH3C(O)OO acetyl peroxy radical ch3coo2  
979 CH3NO3 Methyl nitrate ch3no3  
980 H3PO4 Phosphoric Acid h3po4  
981 C4H4O+ Furan cation furan+  
982 C4H4S Thiophene furans  
983 C3H4O2 β–Propiolactone beta  
984 C3H4O2 2-Propenoic acid propenoic2  
985 C3H4O2 Methyl glyoxal megly  
986 C3H4O2 propanedial propanedial  
987 C3H4O2 propenalol propenalol  
988 HOCHCCHOH allenediol aldiol  
989 C2H4O3 1,2,3-trioxolane c2h4o3  
990 C2H4O3 trioxolane124 triox  
991 HOCH2COOH Hydroxyacetic acid hac  
992 CH2CHCONH2 Acrylamide c79061  
993 CH3OCH2CN Methoxyacetonitrile c1738369  
994 CH5N3S Hydrazinecarbothioamide c79196  
995 H2NCH2COOH Glycine glycine  
996 C4H6O cis-2-butenal butenal2c  
997 C4H6O Cyclobutanone cbutone  
998 C4H6O Furan, 2,3-dihydro- furan23h  
999 C4H6O Furan, 2,5-dihydro- furan25h  
1000 CH2CHOCHCH2 Vinyl ether vinylether  
1001 CHOCHCHCH3 2-Butenal butenal2  
1002 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1003 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1004 C2H6N2O Urea, methyl- c598505  
1005 C3H6O2 1,3-Dioxolane dioxolane  
1006 CH3CH2COOH Propanoic Acid propanoic  
1007 CH3COOCH3 methyl acetate aame  
1008 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1009 C3H7NO dimethylformamide dmf  
1010 C3H7NO Propanamide propanam  
1011 C2H3OC2H5 Ethene, ethoxy- c109922  
1012 C4H8O Cyclobutanol c2919235  
1013 C4H8O Furan, tetrahydro- thf  
1014 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1015 CH3COCH2CH3 2-Butanone buta2one  
1016 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1017 CHOCH2CH2CH3 Butanal butanal  
1018 C3H8O2 1,3-Propanediol c504632  
1019 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1020 C3H8O2 Methane, dimethoxy- c109875  
1021 C3H8O2 Propylene glycol c57556  
1022 C3H8S2 1,3-Propanedithiol c109808  
1023 C4H10O 1-Butanol butanol1  
1024 C4H10O 1-Propanol, 2-methyl- c78831  
1025 C4H10O 2-Butanol, (.+/-.)- butanol2  
1026 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1027 C4H10O Methyl propyl ether meopr  
1028 C4H10O Propane, 2-methoxy- c598538  
1029 C4H10O+ 1-Butanol cation butanol1+  
1030 C2H5SC2H5 Diethyl sulfide etset  
1031 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1032 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1033 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1034 FNO3 Fluorine nitrate fno3  
1035 ClONO2 Chlorine nitrate clono2  
1036 BrONO2 Bromine nitrate brono2  
1037 TiCl4 Titanium tetrachloride ticl4  
1038 ClO4- perchlorate anion clo4-  
1039 BF4- tetrafluoroboron anion bf4-  
1040 ClFO3 Perchloryl fluoride clfo3  
1041 SO2F2 Sulfuryl fluoride so2f2  
1042 SO2Cl2 Sulfuryl chloride so2cl2  
1043 F3NO Nitrogen trifluoride oxide f3no  
1044 F3PO Phosphoryl fluoride pf3o  
1045 Cl3PO Phosphoryl chloride pcl3o  
1046 CF4 Carbon tetrafluoride cf4  
1047 SiF4 Silicon tetrafluoride sif4  
1048 TiF4 Titanium tetrafluoride tif4  
1049 CFCl3 Trichloromonofluoromethane cfcl3  
1050 CCl4+ Carbon tetrachloride cation ccl4+  
1051 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1052 SiCl4 Silane, tetrachloro- sicl4  
1053 CF3I trifluoroiodomethane cf3i  
1054 CBrCl3 Methane, bromotrichloro- cbrcl3  
1055 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1056 GeCl4 Germanium Tetrachloride gecl4  
1057 CFBr3 fluorotribromomethane cfbr3  
1058 CBr3I tribromoiododmethane cbr3i  
1059 ClOF3 Chlorine trifluoride oxide clof3  
1060 C2HF3 Trifluoroethylene c2hf3  
1061 C2HF3+ Trifluoroethylene cation c2hf3+  
1062 CHClCCl2 Trichloroethylene chclccl2  
1063 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1064 HClO4 perchloric acid hclo4  
1065 HSO3F Fluorosulfonic acid hso3f  
1066 CF3OH trifluoromethanol cf3oh  
1067 CHClCCHCl 1,3-dichloroallene chclcchcl  
1068 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1069 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1070 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1071 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1072 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1073 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1074 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1075 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1076 NH3BCl3 Amminetrichloroboron nh3bcl3  
1077 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1078 C3H5ClO Oxirane, (chloromethyl)- c106898  
1079 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1080 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1081 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1082 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1083 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1084 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1085 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1086 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1087 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1088 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1089 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1090 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1091 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1092 C4H9F 1-fluorobutane butaf1  
1093 CH3CHFCH2CH3 2-fluorobutane butaf2  
1094 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1095 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1096 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1097 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1098 C6H2 hexatriyne c6h2  
1099 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1100 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1101 C6H4 Benzyne benzyne  
1102 C6H5 phenyl phenyl  
1103 C6H5- phenyl anion phenyl-  
1104 C6H6 2,4-Hexadiyne hexadiyne  
1105 C6H6 3,4-Dimethylenecyclobutene cb34m  
1106 C6H6 Hexa-1,5-diene-3-yne hdy153  
1107 C6H6 Trimethylenecycopropane tmcp  
1108 C6H6+ Benzene cation c6h6+  
1109 C6H8 (E)-hexa-1,3,5-triene c821078  
1110 C6H8 (E)-hexa-2,3,4-triene c59660650  
1111 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1112 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1113 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1114 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1115 C6H8 3-Methylenecyclopentene c930267  
1116 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1117 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1118 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1119 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1120 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1121 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1122 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1123 C6H10 1,5-Hexadiene c592427  
1124 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1125 C6H10 1-Hexyne hexyne1  
1126 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1127 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1128 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1129 C6H10 2-Hexyne c764352  
1130 C6H10 3-Hexyne hexyne3  
1131 C6H10 cyclohexene cyclohexene  
1132 C6H10 Cyclopentene, 1-methyl- c693890  
1133 C6H10 Cyclopentene, 3-methyl- c1120623  
1134 C6H10 Cyclopentene, 4-methyl- c1759815  
1135 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1136 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1137 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1138 C6H12 (E)-2-Hexene e2hexene  
1139 C6H12 (E)-3-methylpent-2-ene c616126  
1140 C6H12 (E)-hex-3-ene e3hexene  
1141 C6H12 (Z)-3-methylpent-2-ene c922623  
1142 C6H12 (Z)-hex-2-ene z2hexene  
1143 C6H12 (Z)-hex-3-ene z3hexene  
1144 C6H12 2,3-dimethylbut-1-ene c563780  
1145 C6H12 2,3-dimethyl-but-2-ene tmeet  
1146 C6H12 3-methylenepentane c760214  
1147 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1148 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1149 C6H12 Cyclohexane cyclohexane  
1150 C6H12 Cyclopentane, methyl- c96377  
1151 C6H12 Ethylcyclobutane c4806615  
1152 C6H12 hex-1-ene hexene1  
1153 C6H14 Butane, 2,2-dimethyl- buta22  
1154 C6H14 Butane, 2,3-dimethyl- buta23  
1155 C6H14 Hexane hexane  
1156 C6H14 Pentane, 2-methyl- penta2  
1157 C6H14 Pentane, 3-methyl- penta3  
1158 C4N2 2-Butynedinitrile c4n2  
1159 C4H2N2 Fumaronitrile c4h2n2  
1160 C2H2N4 sym-tetrazine ttz  
1161 C3H3N3 1,3,5-Triazine triazine135  
1162 CH3N5 5-Aminotetrazole c4418615  
1163 C4H4N2 1,3-Diazine diazine13  
1164 C4H4N2 Pyrazine pyrazine  
1165 C4H4N2 Pyridazine pyridazine  
1166 C4H4N2 Succinonitrile c110612  
1167 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1168 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1169 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1170 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1171 C5H5N E-2,4-pentadienenitrile bdcn  
1172 C5H5N Pyridine pyridine  
1173 B3N3H6 borazine borazine  
1174 C6H6 Fulvene fulvene  
1175 C5H6N+ Pyridinium c5h6n  
1176 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1177 C5H7N (E)-2-Pentenenitrile c26294984  
1178 C5H7N (E)-3-Pentenenitrile c16529661  
1179 C5H7N (Z)-2-Pentenenitrile c25899507  
1180 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1181 C5H7N Cyclobutanecarbonitrile c4426113  
1182 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1183 C5H9N Butanenitrile, 2-methyl- c18936179  
1184 C5H9N Pentanenitrile c110598  
1185 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1186 C6H10 Bicyclo[3.1.0]hexane c285585  
1187 C5H11N Cyclopentanamine cypentam  
1188 C5H11N Piperidine piper  
1189 C4H12N2 1,2-Butanediamine c4426486  
1190 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1191 Li2CO3 Lithium Carbonate li2co3  
1192 Na2CO3 Sodium Carbonate na2co3  
1193 C2O4-- oxalate anion c2o4  
1194 C2H2O4 Oxalic Acid oxalic  
1195 C2H3NO3 Oxamic acid oxamic  
1196 C4H4O2 2(5H)-Furanone furanone  
1197 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1198 C2H4N2O2 Oxalamide oxalamide  
1199 C2H4N2S2 Ethanedithioamide c79403  
1200 C2H4CO3 Ethylene carbonate etco3  
1201 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1202 C3H4S3 1,3-Dithiolane-2-thione c822388  
1203 C4H5NO 3-Methylisoxazole isox3m  
1204 C4H5NO Isoxazole, 5-methyl- c5765446  
1205 C4H5NS 4-Methylthiazole c693958  
1206 C2H5NO3 Nitric acid, ethyl ester c625581  
1207 C5H6O 2-methylfuran furan2m  
1208 C5H6O 3-Methylfuran furan3m  
1209 C5H6S Thiophene, 2-methyl- c554143  
1210 C5H6S Thiophene, 3-methyl- c616444  
1211 C4H6O2 2,3-Butanedione c431038  
1212 C4H6O2 2-Propenoic acid, methyl ester c96333  
1213 C4H6O2 Crotonic Acid crot  
1214 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1215 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1216 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1217 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1218 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1219 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1220 C4H6OS Vinyl sulfoxide c1115157  
1221 CH6N4S Carbonothioic dihydrazide thiacarb  
1222 C2H6N2O2 (E)-Azodioxymethane c37765154  
1223 C2H6N2O2 Dimethylnitroamine c4164287  
1224 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1225 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1226 C4H7NO 2-Pyrrolidinone c616455  
1227 C4H7NO Ethoxyacetonitrile etoaccn  
1228 C4H7NO Methacrylamide c79390  
1229 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1230 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1231 C3H7ONO Propyl nitrite prono  
1232 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1233 CH3CH(NH2)COOH Alanine alanine  
1234 CH3NHCH2COOH Sarcosine sarcosine  
1235 NH2CH2CH2COOH β–alanine betaalanine  
1236 NH2COOC2H5 Urethane urethane  
1237 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1238 C5H8O Cyclopentanone c120923  
1239 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1240 C5H8O Methyl cyclopropyl ketone c765435  
1241 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1242 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1243 NH2CONHC2H5 Urea, ethyl- c625525  
1244 C4H8O2 1,3-Dioxane dioxan13  
1245 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1246 C4H8O2 1,4-Dioxane dioxan14  
1247 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1248 C4H8OS s-Ethyl thioacetate c625605  
1249 C3H8O3 1,2,3-Propanetriol glycerin  
1250 C3H8O2S (Methylsulfonyl)ethane c594434  
1251 C4H9NO Butanamide c541355  
1252 C4H9NO Propanamide, 2-methyl- c563837  
1253 C5H10O 2-Butanone, 3-methyl- c563804  
1254 C5H10O 2H-Pyran, tetrahydro- c142687  
1255 C5H10O 2-methylbutyraldehyde 2meba  
1256 C5H10O 2-Pentanone mpk  
1257 C5H10O Cyclopentanol c96413  
1258 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1259 C5H10O Pentanal pal  
1260 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1261 C5H10S 3-Ethylthio-1-propene c5296628  
1262 C5H10S Cyclopentanethiol c1679078  
1263 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1264 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1265 C4H10O2 1,1-Dimethoxyethane c534156  
1266 C4H10O2 1,3-Butanediol budiol13  
1267 C4H10O2 1,4-Butanediol budiol14  
1268 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1269 C4H10OS Diethyl sulfoxide c70291  
1270 C4H10S2 1,4-Butanedithiol budisl14  
1271 C4H11NO Diethylhydroxylamine c3710847  
1272 C5H12O 1-Butanol, 2-methyl- c137326  
1273 C5H12O 1-Butanol, 3-methyl- c123513  
1274 C5H12O 1-Pentanol pentanol1  
1275 C5H12O 2-Butanol, 3-methyl- c598754  
1276 C5H12O 2-Pentanol peol2  
1277 C5H12O 3-Pentanol pentan3ol  
1278 C5H12O Butane, 1-methoxy- meobu  
1279 C5H12O Propane, 1-ethoxy- proet  
1280 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1281 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1282 C5H12S 1-Butanethiol, 3-methyl- c541311  
1283 C5H12S 1-Pentanethiol c110667  
1284 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1285 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1286 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1287 C5H12S Butane, 1-(methylthio)- c628295  
1288 C5H12S Ethyl propyl sulfide c4110503  
1289 C5H12S Propane, 2-(ethylthio)- c5145993  
1290 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1291 CF3CN Acetonitrile, trifluoro- cf3cn  
1292 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1293 B2F4 Diboron tetrafluoride b2f4  
1294 B2Cl4 Diboron tetrachloride b2cl4  
1295 C2F4 Tetrafluoroethylene c2f4  
1296 C2F4+ Tetrafluoroethylene cation c2f4+  
1297 CF2CCl2 difluorodichloroethylene cf2ccl2  
1298 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1299 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1300 C2FCl3 fluorotrichloroethene c2fcl3  
1301 C2Cl4 Tetrachloroethylene c2cl4  
1302 CF3OF Trifluoromethylhypofluorite cf3of  
1303 SOF4 Sulfur tetrafluoride oxide sof4  
1304 AsF5 Arsenic pentafluoride asf5  
1305 PCl5 Phosphorus pentachloride pcl5  
1306 SF5 Sulfur pentafluoride sf5  
1307 SF5+ pentafluoro sulfur cation sf5+  
1308 SbCl5 Antimony pentachloride sbcl5  
1309 BrF5 bromine pentafluoride brf5  
1310 ClF5 chlorinepentafluoride clf5  
1311 CF3CHO trifluoroacetaldehyde cf3cho  
1312 CCl3CHO trichloroacetaldehyde ccl3cho  
1313 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1314 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1315 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1316 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1317 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1318 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1319 CF3COOH trifluoroacetic acid cf3cooh  
1320 C4H3ClO Furan, 2-chloro fur2cl  
1321 C4H3ClO Furan,3-chloro fur3cl  
1322 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1323 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1324 C4H8Cl2 1,4-Dichlorobutane c110565  
1325 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1326 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1327 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1328 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1329 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1330 C5H11Cl Pentane, 1-chloro- pencl1  
1331 C6H5CH2 benzyl radical benzyl  
1332 C6H5CH3 toluene toluene  
1333 C7H8 cycloheptatriene cht  
1334 C7H8 Norbornadiene norbor  
1335 C7H8 Quadricyclane qucy  
1336 C7H12 Norbornane nor  
1337 C7H14 cycloheptane c7h14  
1338 C7H16 2-methylhexane 2mhex  
1339 C7H16 3-methylhexane hex3m  
1340 C7H16 heptane heptane  
1341 C6H7N 2-Methylpyridine mp  
1342 C6H5NH2 aniline aniline  
1343 C6H13N 2-Methylpiperidine pip2m  
1344 C6H13N cyclohexanamine cham  
1345 C6H15N triethylamine tea  
1346 N2O5 Dinitrogen pentoxide n2o5  
1347 C4H2O3 Maleic Anhydride malan  
1348 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1349 C6H5O phenoxy radical phenoxy  
1350 C5H5NO 2(1H)-Pyridinone c72762006  
1351 C5H5NO 2(3H)-Pyridinone c9000048  
1352 C5H5NO 2(5H)-Pyridinone c9000037  
1353 C5H5NO 2-Pyridinol c109104  
1354 C5H5NO 3(2H)-Pyridinone c9000004  
1355 C5H5NO 3(4H)-Pyridinone c9000026  
1356 C5H5NO 3(6H)-Pyridinone c9000015  
1357 C5H5NO 3-Pyridinol c109002  
1358 C5H5NO 4(1H)-Pryidinone c9000060  
1359 C5H5NO 4(3H)-Pryidinone c9000059  
1360 C5H5NO 4-Pyridinol c626642  
1361 C6H5OH phenol phenol  
1362 C6H6O 2,4-Cyclohexadienone c24599573  
1363 C6H6O 2,5-Cyclohexadienone c5664335  
1364 C6H5SH Benzenethiol phsh  
1365 HO2CCHNH2CH2OH Serine serine  
1366 C5H8O2 Acetylacetone acac  
1367 C4H8O2S Sulfolane sulfolane  
1368 CH(C2H3)3 trivinyl methane tvm  
1369 C6H10O cyclohexanone chexo  
1370 C6H12O hexanal c6h12o  
1371 C3H7OC3H7 di-n-propyl ether propr  
1372 CF3COO- trifluoro acetate anion cf3coo-  
1373 CF3COF trifluoroacetyl fluoride cf3cof  
1374 CF3COCl trifluoroacetyl chloride cf3cocl  
1375 PF6 Hexafluorophosphate neutral pf6  
1376 PF6- Hexafluorophosphate ion pf6-  
1377 SeF6 Selenium hexafluoride sef6  
1378 SF5Cl sulfur chloropentafluoride sf5cl  
1379 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1380 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1381 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1382 CCl3CHCl2 pentachloroethane ccl3chcl2  
1383 C6H5F Fluorobenzene bzf  
1384 C6H5Cl chlorobenzene bzcl  
1385 C6H5Br bromobenzene bzbr  
1386 C8H6 Calicene calicene  
1387 C6H5CCH phenylacetylene phac  
1388 C8H6 benzocyclobutadiene bcbd  
1389 C8H6 Pentalene pentalene  
1390 C6H5CHCH2 Styrene styrene  
1391 C8H8 cyclooctatetraene cot  
1392 C6H5CH2CH3 Ethylbenzene etbz  
1393 CH3C6H4CH3 meta-xylene mxylene  
1394 CH3C6H4CH3 paraxylene pxylene  
1395 C8H14 Bicyclo[2.2.2]octane bico222  
1396 C8H16 cyclooctane cyclooct  
1397 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1398 C8H18 Octane c8h18  
1399 C6H5CN phenyl cyanide phcn  
1400 C6H12N2 Triethylenediamine ted  
1401 C4O4-- squarate dianion c4o4--  
1402 S8 Octasulfur s8  
1403 C6H4O2 parabenzoquinone pbq  
1404 C4H4N2O2 Uracil uracil  
1405 C6H5OCH3 Anisole anisole  
1406 C5H9NO2 Proline proline  
1407 C6H12O2 Methyl pivalate c598981  
1408 C6H12O2 Hexanoic acid hexa  
1409 C4F4 tetrafluorcyclobutadiene c4f4  
1410 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1411 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1412 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1413 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1414 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1415 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1416 C2F6 hexafluoroethane c2f6  
1417 IF7 Iodine heptafluoride if7  
1418 C6H4F2 metadifluorobenzene mdfb  
1419 C6H4F2 orthodifluorobenzene odfb  
1420 C6H4Cl2 1,2-dichlorobenzene dcb12  
1421 C6H4Cl2 1,3-dichlorobenzene dcb13  
1422 C9H8 Indene indene  
1423 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1424 C9H12 n-propyl benzene prbz  
1425 C9H20 Nonane nonane  
1426 C(CN)4 tetracyanomethane c5n4  
1427 C5H4N4 purine purine  
1428 C8H7N Indole indole  
1429 C3H3N3O3 cyanuric acid cyanuric  
1430 C6H5NO2 Nitrobenzene c6h5no2  
1431 C6H5COOH benzoic acid benzo  
1432 CH3COC6H5 acetophenone acph  
1433 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1434 C6H3F3 Benzene trifluoride 123 bzf3a  
1435 C10H8 Azulene azu  
1436 C10H8 naphthalene naph  
1437 C10H16 adamantane adamantane  
1438 C6N4 Tetracyanoethylene tcne  
1439 C6N4- tetracyanoethylene anion tcne-  
1440 C10H22 Decane decane  
1441 C4F6 perfluorobutadiene c4f6  
1442 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1443 C3F8 perfluoropropane c3f8  
1444 Fe(CO)5 Iron pentacarbonyl ipc  
1445 Fe(C5H5)2 ferrocene fecp2  
1446 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1447 C12H8 Acenaphthylene acenaph  
1448 C12H8 biphenylene biph  
1449 C12H10 biphenyl biphenyl  
1450 C12H10 Heptalene heptalene  
1451 C6H12O6 Inositol inositol  
1452 C6F6 hexafluorobenzene c6f6  
1453 C14H10 Anthracene anth  
1454 C14H10 Phenanthrene phenanthrene  
1455 C12H10N2 azobenzene azobenzene  
1456 C16H10 Pyrene pyrene  
1457 C18H12 Tetracene tetracene  
1458 C24H12 Coronene coronene  
1459 C60 Buckminsterfullerene c60