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List of which calculations are completed at B2PLYP=FULLultrafine /6-31G

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 H3+ hydrogen trimer cation 1A1'D3h
7 He Helium atom 1SKh
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li- Lithium atom anion 1SKh
12 K Potassium atom 2SKh
13 LiH+ lithium hydride cation 2ΣC∞v
14 KH Potassium hydride 1ΣC∞v
15 MgH magnesium monohydride 2ΣC∞v
16 ZnH+ Zinc, protonated   
17 BeH2+ Beryllium dihydride cation   
18 MgH2 magnesium dihydride 1ΣgD∞h
19 Al- Aluminum atom anion 3PKh
20 Al+ Aluminum atom cation 1SKh
21 Ga Gallium atom 2P 
22 Ga- Gallium atom anion 3POh
23 Ga+ Gallium atom cation 1S 
24 BH Boron monohydride 1ΣC∞v
25 BH Boron monohydride 3ΠC∞v
26 ScH+ Scandium monohydride cation 2ΣC∞v
27 GaH Gallium monohydride 1ΣC∞v
28 GaH+ Gallium monohydride cation 2ΣC∞v
29 BH3+ boron trihydride cation 2E'D3h
30 BH3+ boron trihydride cation 2B2C2v
31 BH3+ boron trihydride cation  C2v
32 AlH3 aluminum trihydride 1A1'D3h
33 AlH3- aluminum trihydride anion  C3v
34 ScH3 Scandium trihydride 1A1'D3h
35 ScH3 Scandium trihydride 1A1C3v
36 BH4 borohydride 2B2C2v
37 BH4- borohydride anion 1A1Td
38 C Carbon atom 3P0Kh
39 Si- Silicon atom anion 4SKh
40 Ge Germanium atom 3PKh
41 Ge- Germanium anion 4SKh
42 Ge+ Germanium cation 2PKh
43 CH Methylidyne 2Π1/2C∞v
44 SiH Silylidyne 2ΠC∞v
45 SiH+ silicon monohydride cation 1ΣC∞v
46 GeH germylidene 2ΠC∞v
47 GeH+ Germaniun monohyrdide cation 1ΣC∞v
48 CH2 Methylene 3B1C2v
49 CH2 Methylene 3ΣGD∞h
50 CH2- methylene anion 2B1C2v
51 CH2+ methylene cation 2A1C2v
52 CH2+ methylene cation 2ΠD∞h
53 GeH2 germylene 1A1C2v
54 SiH3 Silyl radical 2A1C3v
55 SiH3+ Silyl cation 1A1'D3h
56 GeH3 Germyl radical 2A1C3v
57 GeH3+ germyl cation 1A1'D3h
58 CH4 Methane 1A1Td
59 CH4- Methane anion 2A1Td
60 CH4- Methane anion 2A1C3v
61 SiH2D2 silane-d2   
62 SiH4 Silane 1A1Td
63 SiH4+ Silane cation 2B1C2v
64 GeH4 Germane 1A1Td
65 SiH5+ Silane, protonated   
66 N Nitrogen atom 4SKh
67 V+ Vanadium atom cation 5DKh
68 As Arsenic atomic 4SKh
69 As- Arsenic anion 3PKh
70 As+ Arsenic cation 3PKh
71 NH Imidogen 1Δ+C∞v
72 PH phosphorus monohydride 3Σ-C∞v
73 AsH Arsenic monohydride 3ΣC∞v
74 NH2 Amino radical 2B1C2v
75 NH2+ Amino cation 3B1C2v
76 NH2+ Amino cation 1A1C2v
77 NH3 Ammonia 1A1C3v
78 NH3- Ammonia anion 2A1C3v
79 PH3 Phosphine 1A1C3v
80 PH3+ Phosphine cation 2A1C3v
81 AsH3 Arsine 1A1C3v
82 AsH3+ Arsine cation 2A1C3v
83 AsH4+ Arsonium   
84 NH4 Ammonium radical   
85 NH4+ ammonium cation 1A1Td
86 PH4 Phosphoranyl radical   
87 O Oxygen atom 3SKh
88 S Sulfur atom 3PKh
89 S Sulfur atom   
90 S- Sulfur atom anion 2PKh
91 S+ Sulfur atom cation 4SKh
92 Se Selenium atom 3PKh
93 Se- Selenium atom anion 2PKh
94 Se+ Selenium atom cation 4SKh
95 OH Hydroxyl radical 2ΠC∞v
96 OH- hydroxide anion 1ΣC∞v
97 OH+ hydoxyl cation 3ΣC∞v
98 HS- mercapto anion 1ΣC∞v
99 HS+ sulfur monohydride cation 3ΣC∞v
100 CrH Chromium hydride 6ΣC∞v
101 CrH+ Chromium hydride cation 5ΣC∞v
102 HSe Selenium monohydride 2ΠC∞v
103 HSe- selenium monohydride anion 1ΣC∞v
104 HSe+ selenium monohydride cation 3ΣC∞v
105 H2O Water 1A1C2v
106 H2O- water anion 2A1C2v
107 H2O- water anion 2A'Cs
108 H2O+ water cation 2B1C2v
109 HDO Water-d1 1A1C2v
110 H2S Hydrogen sulfide 1A1C2v
111 H2S+ Hydrogen sulfide cation 2B1C2v
112 H2Se Hydrogen selenide 1A1C2v
113 H2Se+ Hydrogen selenide cation 2B1C2v
114 H3O+ hydronium cation 1A1C3v
115 H3S+ Sulfonium cation 1A1C3v
116 H3Se+ Hydrogen Selenide, protonated 1A1C3v
117 F Fluorine atom 2PKh
118 F- Fluorine atom anion 1SKh
119 F+ Fluorine atom cation 3SKh
120 F+ Fluorine atom cation 1DKh
121 Cl Chlorine atom 2PKh
122 Cl- Chlorine atom anion 1SKh
123 Cl+ Chlorine atom cation 3PKh
124 Cl+ Chlorine atom cation 1DKh
125 Br Bromine atom 2PKh
126 Br- Bromine atom anion 1SKh
127 Br+ Bromine atom cation 3PKh
128 HF Hydrogen fluoride 1ΣC∞v
129 HF- hydrogen fluoride anion 2ΣC∞v
130 HF+ hydrogen fluoride cation 2ΠC∞v
131 HCl Hydrogen chloride 1ΣC∞v
132 HCl- hydrogen chloride anion 2ΣC∞v
133 HCl+ hydrogen chloride cation 2ΠC∞v
134 HBr hydrogen bromide 1ΣC∞v
135 HBr- hydrogen bromide anion 2ΣC∞v
136 HBr+ hydrogen bromide cation 2ΠC∞v
137 H2Cl+ dihydrogen monochloride cation 1A1C2v
138 H2Br+ protonated hydrogen bromide 2A1C2v
139 Ne Neon atom 1SKh
140 Ne Neon atom   
141 Kr Krypton atom 1SKh
142 Kr+ Krypton cation 2PKh
143 HeLi+ Helium Lithium cation   
144 ArH+ Argon hydride cation 1ΣC∞v
145 KrH+ Protonated Krypton 1ΣC∞v
146 H2Ar H2 Ar dimer 1ΣC∞v
147 Ni Nickel atom 3FKh
148 NaLi lithium sodium 1ΣC∞v
149 Na2 Sodium diatomic 1ΣgD∞h
150 Na2- sodium diatomic anion 2ΣuD∞h
151 Na2+ sodium diatomic cation 2ΣgD∞h
152 NaK+ Sodium Potassium diatomic cation 1
153 BeMg Beryllium Magnesium 1ΣC∞v
154 LiAl Lithium Aluminum   
155 NaAl Sodium aluminum 1ΣC∞v
156 B2+ Boron diatomic cation 2ΠD∞h
157 BAl Boron Aluminum 3ΣC∞v
158 BGa Boron Gallium 3ΣC∞v
159 AlGa Aluminum Gallium 3ΣC∞v
160 AlGa Aluminum Gallium 1ΣC∞v
161 HBBH Diborane(2) 3ΣGD∞h
162 B2H4 Diborane(4) D2d 1A1D2d
163 HBHHBH Diborane(4) C2V 1A1C2v
164 B2H6 Diborane 1AgD2h
165 B2H6+ Diborane cation   
166 CaC Calcium monocarbide   
167 BSi Boron silicide 4ΣC∞v
168 BSi Boron silicide 2ΣC∞v
169 GeC Germanium monocarbide 1ΣC∞v
170 SiGe Silicon Germanium   
171 SiGe Silicon Germanium   
172 C2H Ethynyl radical 2ΣC∞v
173 C2H- Ethynyl anion 1ΣC∞v
174 C2H2+ acetylene cation 2ΠuD∞h
175 C2H2+ acetylene cation   
176 H2CC- vinylidene anion   
177 HCCH- acetylene anion   
178 HCCH- acetylene anion   
179 Si2H2 disilyne   
180 Si2H2 disilyne   
181 Si2H2 disilyne   
182 CH3Li methyl lithium 1A1C3v
183 CH2BH methyleneborane 1A1C2v
184 C2H3 vinyl 2A'Cs
185 C2H3- vinyl anion 1A'Cs
186 C2H3+ vinyl cation 1A1C2V bridging H
187 C2H3+ vinyl cation 1A1C2V HCCH2
188 C2H4+ Ethylene cation 2B3uD2h
189 C2H4+ Ethylene cation 2B3D2
190 Si2H4 Disilene   
191 Si2H4 Disilene   
192 Si2H4 Disilene   
193 CH3BH2 methylborane 1A'Cs
194 C2H5 Ethyl radical 2A'Cs
195 C2H6 Ethane 1A1gD3d
196 C2H6+ ethane cation 2BgC2h
197 C2H6+ ethane cation 2A1gD3d
198 Si2H6 disilane 1EuD3d
199 LiN Lithium Nitride 3ΣC∞v
200 LiP Lithium monophosphide   
201 LiP Lithium monophosphide   
202 MgN Magnesium Nitride   
203 MgN Magnesium Nitride   
204 BP Boron monophosphide 3ΠC∞v
205 BP Boron monophosphide 1ΣC∞v
206 GaP Gallium monophosphide 3ΣC∞v
207 GaP Gallium monophosphide 1ΣC∞v
208 GaAs Gallium arsenide 3Π 
209 GaAs Gallium arsenide 1Σ 
210 CN Cyano radical 2ΣC∞v
211 SiP Silicon monophosphide 2ΠC∞v
212 N2 Nitrogen diatomic 1ΣgD∞h
213 N2 Nitrogen diatomic   
214 N2- nitrogen diatomic anion 2ΠgD∞h
215 PN Phosphorus mononitride 1ΣC∞v
216 HCN Hydrogen cyanide 1ΣC∞v
217 HCN+ hydrogen cyanide cation 2ΠC∞v
218 HNC+ hydrogen isocyanide cation   
219 HCP+ Phosphaethyne cation   
220 NNH+ Dinitrogen monohydride cation 1ΣC∞v
221 LiNH2 lithium amide   
222 HBNH Boranimine 1ΣC∞v
223 H2NN Isodiazene   
224 N2H2+ trans-diazene cation 2AGC2h
225 N2H2+ trans-diazene cation   
226 CH2NH Methanimine 1A'Cs
227 CH2NH+ Methanimine cation   
228 CHNH2 aminomethylene   
229 CHNH2+ Aminocarbene cation   
230 BH2NH2 Boranamine   
231 CH2NH2+ methyleneamine cation 1A1C2v
232 N2H4 Hydrazine 1AC2
233 CH3NH2 methyl amine 1A'Cs
234 SiH3NH2 Silane, amino   
235 N2H5+ protonated hydrazine 1A'Cs
236 BH3PH3 borane phosphine   
237 BH3NH3 borane ammonia 1A1C3v
238 CH3NH3 methyl ammonium radical 2A1C3v
239 CH3PH3+ methyl phosphine, protonated 1A1C3v
240 N2H7+ ammonia ammonium dimer   
241 LiSe Lithium monoselenide   
242 CaO Calcium monoxide 1ΣC∞v
243 MgS+ magnesium sulfide cation 2ΠC∞v
244 CaS Calcium sulfide 1ΣC∞v
245 BO boron monoxide 2ΣC∞v
246 GaO Gallium monoxide 2ΣC∞v
247 GaS Gallium monosulfide   
248 CO Carbon monoxide 1ΣC∞v
249 CO- carbon monoxide anion 2ΠC∞v
250 CO+ carbon monoxide cation 2ΣC∞v
251 SiO Silicon monoxide 1ΣC∞v
252 SiS silicon monosulfide 1ΣC∞v
253 CSe Carbon monoselenide 1ΣC∞v
254 GeO Germanium monoxide 1ΣC∞v
255 GeO+ Germanium monoxide cation 2ΣC∞v
256 GeS Germanium monosulfide 1ΣC∞v
257 SiSe Silicon Monoselenide   
258 SiSe+ Silicon Monoselenide cation   
259 GeSe Germanium monoselenide   
260 NO Nitric oxide 2ΠC∞v
261 NO- nitric oxide anion 3ΣC∞v
262 NO+ nitric oxide cation 1ΣC∞v
263 NS Mononitrogen monosulfide 2ΠC∞v
264 PO Phosphorus monoxide 2ΠC∞v
265 PS phosphorus sulfide 2ΣC∞v
266 NSe Nitrogen monoselenide 2ΠC∞v
267 AsS Arsenic monosulfide 2ΠC∞v
268 PSe Phosphorus monoselenide 2ΠC∞v
269 AsSe Arsenic monoselenide 2ΠC∞v
270 O2- oxygen diatomic anion 2ΠD∞h
271 SO Sulfur monoxide 3ΣC∞v
272 SO Sulfur monoxide 1ΣC∞v
273 SO+ sulfur monoxide cation 2ΠC∞v
274 S2 Sulfur diatomic 3ΣgD∞h
275 SeO Selenium monoxide 3ΣC∞v
276 Se2 Selenium diatomic 3ΣgD∞h
277 LiOH lithium hydroxide 1ΣC∞v
278 KOH Potassium hydroxide 1ΣC∞v
279 BeOH beryllium monohydroxide 2A'Cs
280 HBO Boron hydride oxide 1ΣC∞v
281 HBS hydrogen boron sulfide 1ΣC∞v
282 COH Hydroxymethylidyne   
283 COH+ Carbon Monoxide, protonated 1ΣC∞v
284 HCO Formyl radical 2A'Cs
285 HCO- formyl anion 1A'Cs
286 HCO+ Formyl cation 1ΣC∞v
287 HNO Nitrosyl hydride 1A'Cs
288 HNO+ Nitrosyl hydride cation 2A'Cs
289 NOH Hydroxyimidogen 3A"Cs
290 NOH+ O-protonated nitric oxide 2A'Cs
291 HO2+ Hydroperoxy cation 3A"Cs
292 HSO+ Sulfur Monoxide, S-protonated   
293 SOH Sulfur Hydroxide   
294 SOH+ Sulfur Monoxide, protonated   
295 H2CO- formaldehyde anion 2A'Cs
296 H2CO- formaldehyde anion   
297 H2CO+ formaldehyde cation 2B2C2v
298 H2CS Thioformaldehyde 1A1C2v
299 H2CS- thioformaldehyde anion   
300 H2CS- thioformaldehyde anion   
301 H2CS+ thioformaldehyde cation 2B2C2v
302 H2CSe Selenoformaldehyde   
303 H2NO nitroxide 2B1C2v
304 H2NO nitroxide 2A'Cs
305 H2O2 Hydrogen peroxide 1AC2
306 H2OO water oxide   
307 HOSH hydrogen thioperoxide   
308 H2S2 Disulfane 1AC2
309 H2S2+ hydrogen disulfide cation 2BgC2h
310 H2Se2 hydrogen diselenide   
311 CH2OH+ hydroxymethyl cation 1A'Cs
312 CH3O- methoxy anion 1A1C3v
313 CH3O+ Methoxy cation 3A1C3v
314 H2CSH+ Thioformaldehyde, protonated 1A'Cs
315 NH2OH hydroxylamine 1A'Cs
316 NH2OH+ Hydroxylamine cation   
317 NH2SH Thiohydroxylamine   
318 NH2SH Thiohydroxylamine   
319 NH3S sulfidoazane   
320 CH3OH Methyl alcohol 1A'Cs
321 CH3OH+ Methyl alcohol cation 2A"Cs
322 CH3SH Methanethiol 1A'Cs
323 CH3SH+ Methanethiol cation 2A"Cs
324 SiH3OH silanol   
325 NH2OH2+ protonated hydroxylamine   
326 NH3OH+ N-protonated hydroxylamine   
327 H2OH2O water dimer 1A'Cs
328 CH3SH2+ protonated methylsulfide 1A'Cs
329 H5O2+ Dihydroxonium ion 1AC2
330 LiF lithium fluoride 1ΣC∞v
331 LiCl lithium chloride 1ΣC∞v
332 LiCl+ lithium chloride cation 2ΠC∞v
333 NaF+ sodium fluoride cation 2ΣC∞v
334 LiBr Lithium Bromide 1ΣC∞v
335 LiF+ lithium fluoride cation 2ΠC∞v
336 TiCl Titanium Monochloride 4ΣC∞v
337 ZnF Zinc monofluoride 2ΣC∞v
338 CaBr Calcium monobromide   
339 BF Boron monofluoride 1ΣC∞v
340 AlF Aluminum monofluoride 1Σ+C∞v
341 GaF Gallium monofluoride 1ΣC∞v
342 GaF+ Gallium monofluoride cation 2ΣC∞v
343 AlBr Aluminum monobromide   
344 GaCl Gallium monochloride 1ΣGC∞v
345 GaCl+ Gallium monochloride cation 2ΣC∞v
346 GaBr Gallium monobromide   
347 CF Fluoromethylidyne 2ΠC∞v
348 SiF silicon monofluoride 2ΠC∞v
349 SiF+ silicon monofluoride cation 1ΣC∞v
350 SiCl Clorosilylidyne 2ΠC∞v
351 CBr Carbon monobromide 2ΠC∞v
352 GeF Germanium monofluoride 2ΠC∞v
353 GeF+ Germanium monofluoride cation 1ΣC∞v
354 GeCl Germanium monochloride 2ΠC∞v
355 GeCl+ Germanium monochloride cation   
356 SiBr Silicon monobromide 2ΠC∞v
357 SiBr+ Silicon monobromide cation   
358 NCl nitrogen monochloride 3ΣC∞v
359 AsCl Arsenic monochloride 3ΣC∞v
360 PBr Phosphorus monobromide   
361 FO Oxygen monofluoride 2ΠC∞v
362 ClO Monochlorine monoxide 2ΠC∞v
363 ClO+ chlorine monoxide cation 3ΣC∞v
364 SF Monosulfur monofluoride 2ΠC∞v
365 SF+ sulfur monofluoride cation 3ΣC∞v
366 SCl sulfur monochloride 2ΠC∞v
367 SCl+ sulfur monochloride cation 3ΣgC∞v
368 BrO Bromine monoxide 2ΠC∞v
369 BrO+ Bromine monoxide cation   
370 SBr Sulfur monobromide radical   
371 SBr+ Sulfur monobromide cation   
372 SeBr Selenium monobromide   
373 BrCl Bromine monochloride 1ΣC∞v
374 F2 Fluorine diatomic 1ΣgD∞h
375 F2- flourine diatomic anion 2ΣuD∞h
376 F2+ flourine diatomic cation 2ΠgD∞h
377 ClF Chlorine monofluoride 1Σ+C∞v
378 ClF+ clorine monofluoride cation 2ΠC∞v
379 Cl2+ chlorine diatomic cation 2ΠgD∞h
380 BrF Bromine monofluoride 1ΣC∞v
381 Br2 Bromine diatomic 1ΣgD∞h
382 Br2- bromine diatomic anion 2ΣuD∞h
383 Br2+ bromine diatomic cation 2ΠgD∞h
384 HCF Fluoromethylene 1A'Cs
385 HCF Fluoromethylene 3A"Cs
386 HSiF fluorosilylene   
387 HSiCl Chlorosilylene   
388 HSiBr monobromosilylene   
389 HOF Hypofluorous acid 1A'Cs
390 HOCl hypochlorous acid 1A'Cs
391 HOCl+ hypochlorous acid cation   
392 F2H+ Fluorine, protonated 1A'Cs
393 ClFH+ Chlorine fluoride, F-protonated   
394 FClH+ Chlorine fluoride, Cl-protonated   
395 Cl2H+ Chlorine, protonated 1A'Cs
396 CH2Br bromomethyl radical   
397 CH2F fluoromethyl radical 2ACs
398 CH2F+ fluoromethyl cation   
399 CH2Cl+ chloromethyl cation   
400 CH2Cl chloromethyl radical 2A'Cs
401 CH2Cl chloromethyl radical 2B1C2v
402 NH2Cl chloramine 1A'Cs
403 CH3F+ methyl fluoride cation   
404 CH3F Methyl fluoride 1A1C3v
405 CH3Cl Methyl chloride 1A1C3v
406 CH3Cl+ Methyl chloride cation   
407 SiH3F monofluorosilane 1A1C3v
408 SiH3Cl chlorosilane 1A1C1
409 CH3Br methyl bromide 1A1C3v
410 GeH3F monofluorogermane   
411 GeH3Cl monochlorogermane   
412 SiH3Br bromosilane 1A1C3v
413 NH3Cl+ protonated monochloroammonia   
414 CH3ClH+ methyl chloride, protonated   
415 NH4Cl Ammonium chloride   
416 LiNe+ Lithium Neon cation   
417 Ar2 Argon diatomic 1SgD∞h
418 Ar2+ Argon diatomic cation 2ΣuD∞h
419 C3 carbon trimer 1ΣgD∞h
420 C3 carbon trimer 1A1C2v
421 SiC2 Silicon dicarbide   
422 C3H4 cyclopropene 1A1C2v
423 CH2CCH2 allene 1A1D2d
424 CH3CCH propyne 1A'C3v
425 CH2CHCH3 Propene 1A'Cs
426 C3H7 n-Propyl radical 2A"C1
427 C3H7+ cyclopropane, protonated   
428 CH3CHCH3 Isopropyl radical 2AC2
429 CH3CHCH3+ Isopropyl cation 1AC2
430 CH3CHCH3+ Isopropyl cation   
431 C3H8 Propane 1A1C2v
432 Si3H8 trisilane   
433 LiCN lithium cyanide 1ΣC*V LiCN
434 KCN Potassium cyanide 1ΣC∞v
435 KCN Potassium cyanide 1ΣC∞v
436 KCN Potassium cyanide 1A'Cs
437 ZnCN Zinc monocyanide 2ΣC∞v
438 ZnNC Zinc isocyanide 2ΣC∞v
439 AlCN Aluminum monocyanide   
440 AlNC Aluminum isocyanide   
441 CNN Diazocarbene   
442 N3 azide radical 2ΠgD∞h
443 N3+ azide cation 3ΣgD∞h
444 N3+ azide cation 3ΣC∞v
445 HCNN diazomethyl radical   
446 HN3 hydrogen azide 1A'Cs
447 HN3+ Hydrazoic acid cation   
448 HNCNH diiminomethane 1AC2
449 HNNNH+ 1,2-Triazadienium   
450 NH2NN+ hydrazoic acid, protonated   
451 CH3CN Acetonitrile 1A1C3v
452 CH3CN- acetonitrile anion 2EC3v
453 CH3CN- acetonitrile anion 2A'Cs
454 CHNCH2 2H-Azirine   
455 CHNHCH 1H-Azirine   
456 H2CCNH Ethenimine   
457 H2CNCH methyleneaminomethylene   
458 HCCNH2 Ethynamine   
459 HCNCH2+ 2H-Azirine cation   
460 HNCNH2+ diiminomethane, protonated 1A'Cs
461 NCNH3+ Cyanamide, protonated 1A1C3v
462 NH2CNH+ cyanamide, cn protonated   
463 NH3CN+ cyanamide, amine protonated   
464 C2H5NH+ Protonated Aziridine 1A1C2v
465 C2H6N+ aziridine, protonated 1A1C2v
466 CH3CH2NH2 Ethylamine   
467 CH3PHCH3 dimethylphosphine 1A'Cs
468 (CH3)2NH2+ dimethylammonium cation 1A1C2v
469 CH3CH2NH3+ ethylamine, protonated 1A'Cs
470 Li2O dilithium oxide 1ΣgD∞h
471 Na2O disodium monoxide 1ΣgLinear
472 Na2O disodium monoxide 1A1C2v
473 Na2S Sodium sulfide   
474 Na2S Sodium sulfide   
475 LiO2 Lithium dioxide   
476 NaO2 Sodium superoxide   
477 NCO isocyanato radical 2ΠC∞v
478 N2O Nitrous oxide 1ΣC∞v
479 N2O- Nitrous oxide anion 2A'Cs
480 OCS Carbonyl sulfide 1ΣC∞v
481 CS2 Carbon disulfide 1ΣgD∞h
482 SiS2 Silicon disulfide 1ΣGD∞h
483 GeO2 Germanium dioxide 1ΣgD∞h
484 OCSe Carbonyl selenide 1ΣC∞v
485 SCSe Carbon sulfide selenide   
486 NO2 Nitrogen dioxide 2A1C2v
487 NO2+ Nitrogen dioxide cation 1ΣGD∞h
488 NSO sulfinyl amidogen   
489 SNO Nitrogen oxide sulfide   
490 O3 Ozone 1A1Cs
491 SO2 Sulfur dioxide 1A1C2v
492 SSO Disulfur monoxide 1A'Cs
493 S3 Sulfur trimer 1A1C2v
494 S3 Sulfur trimer   
495 SeO2 Selenium dioxide 1A1C2v
496 SeO2+ Selenium dioxide cation 2A1C2v
497 HCCO ketenyl radical 2ΠC∞v
498 HCCO ketenyl radical 2A"Cs
499 HCNO fulminic acid 1ΣC∞v
500 HNCS Isothiocyanic acid   
501 HNCS Isothiocyanic acid   
502 HSCN thiocyanic acid 1A'Cs
503 HNNO+ Nitrous oxide, N-protonated 1A'Cs
504 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
505 O3H+ protonated ozone 1A'Cs
506 O3H+ protonated ozone   
507 SO2H+ protonated sulfur dioxide 1A'Cs
508 C2H2O Oxirene 1A1C2v
509 CH2CO Ketene 1A1C2v
510 CH2CS Thioketene   
511 Be(OH)2 Beryllium hydroxide   
512 Be(OH)2 Beryllium hydroxide   
513 Be(OH)2 Beryllium hydroxide   
514 NH2NO Nitrosamide 1AC1
515 NH2NO Nitrosamide   
516 H2COO Dioxymethyl radical 2A'Cs
517 H2COO+ dioxymethyl cation 2A'Cs
518 HCOOH Formic acid 1A'Cs
519 HCOOH Formic acid   
520 CH2BOH hydroxy(methylene)borane 1A'Cs
521 BH3CO Borane carbonyl 1A1C3v
522 CH3BO Borane, methyloxo- 1A1C3v
523 CH2COH+ ketene, protonated   
524 CH2NOH formaldoxime 1A'Cs
525 CH3NO nitrosomethane 1A'Cs
526 CHONH2 formamide 1A'Planar
527 CNOH3 1,2-oxaziridine 1AC1
528 CHSNH2 thioformamide   
529 NHCHSH Methanimidothioic acid   
530 C2H4O Ethylene oxide 1A1C2v
531 C2H4O+ ethylene oxide cation   
532 CH3CHO Acetaldehyde 1A'Cs
533 CH3CHO+ acetaldehyde cation   
534 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
535 C2H4S Thiirane 1A1C2v
536 CH2CHSH Ethenethiol   
537 CH3CHS Thioacetaldehyde 1A'C1
538 NH2CHOH+ Formamide, O-protonated   
539 CH3SSH Hydrogen methyl disulfide   
540 HSCH2SH Methanedithiol   
541 C2H4OH+ ethylene oxide, protonated 1A'Cs
542 CH3CHOH 1-hydroxy-ethyl radical 2AC1
543 NH2CH2OH aminomethanol   
544 CH3CH2SH ethanethiol 1A'Cs
545 CH3CH2SH ethanethiol 1AC1
546 CH3SCH3 Dimethyl sulfide 1A1C2v
547 CH3SCH3+ dimethyl sulfide cation   
548 CH3SeCH3 dimethylselenide 1A1C2v
549 CuF2 Copper difluoride 2ΠgD∞h
550 CNF iso cyanogen fluoride 1ΣC∞v
551 BrCN Cyanogen bromide 1ΣC∞v
552 FBO Boron monofluoride monoxide   
553 BeBr2 Beryllium bromide   
554 CaBr2 Calcium dibromide   
555 BF2 Boron difluoride radical 2A1C2v
556 FNO Nitrosyl fluoride 1A'Cs
557 ClNO Nitrosyl chloride 1A'Cs
558 FNS Thionitrosyl fluoride 1A'Cs
559 FSN Thiazyl fluoride 1A'Cs
560 OPCl Phosphorus oxychloride   
561 CF2 Difluoromethylene 1A1D∞h
562 CFCl chlorofluoromethylene 1A'Cs
563 SiF2 Silicon difluoride 1A1C2v
564 SiF2+ Silicon difluoride cation 2A1C2v
565 GeCl2 Germanium dichloride 1A1C2v
566 CBr2 dibromomethylene 1A1C2v
567 CBr2 dibromomethylene 3B1C2v
568 FOO+ Fluorine dioxide cation   
569 OClO Chlorine dioxide 2B1D∞h
570 OClO- Chlorine dioxide anion 1A'Cs
571 ClSO Sulfur chloride oxide 2A"Cs
572 BrOO Bromine dioxide   
573 OBrO Bromine dioxide radical 2B1C2v
574 PF2 Phosphorus difluoride   
575 PF2+ Phosphorus difluoride cation   
576 FClO chlorosyl fluoride 1A'Cs
577 ClOF Chlorine hypofluorite 1A'Cs
578 SF2 sulfur difluoride 1A1C2v
579 SeF2 Selenium difluoride   
580 SeCl2 Selenium Dichloride   
581 SBr2 Sulfur dibromide   
582 SeBr2 Selenium dibromide   
583 Br3- tribromide anion   
584 SFCl Sulfur chloride fluoride   
585 HCCF Fluoroacetylene 1ΣC∞v
586 HCCBr bromoacetylene 1ΣC∞v
587 CHCl2 dichloromethyl radical 2B1C2v
588 CHCl2 dichloromethyl radical 2A'Cs
589 CHF2 difluoromethyl radical 2ACs
590 CHF2+ difluoromethyl cation   
591 CHFCl Chlorofluoromethyl radical   
592 CHFCl+ Chlorofluoromethyl cation   
593 CHCl2+ dichloromethyl cation   
594 CHBr2 dibromomethyl radical   
595 NHF2 difluoramine   
596 NHCl2 dichloroamine   
597 CH2F2 Methane, difluoro- 1A1C2v
598 SiH2F2 difluorosilane   
599 CH2Cl2 Methylene chloride 1A1C2v
600 CH2BrF Methane, bromofluoro- 1A'Cs
601 CH2BrCl Methane, bromochloro- 1A'Cs
602 CH2Br2 dibromomethane 1A1C2v
603 SiH2Cl2 dichlorosilane 1A1C2v
604 CH3MgBr Methyl Magnesium Bromide   
605 CH2CHF Ethene, fluoro- 1A'Cs
606 CH2FOH fluoromethanol   
607 CH2CH2Cl 2-chloroethyl radical 2A'Cs
608 CHClCH3 1-chloroethyl radical 2AC1
609 C2H5Br Ethyl bromide 1A'Cs
610 C4 Carbon tetramer 3ΣgD∞h
611 C4 Carbon tetramer   
612 C4H2+ diacetlyene cation 2ΠgD∞h
613 C4H4 Tetrahedrane   
614 C4H6 1-Methylcyclopropene 1AC1
615 CH2CHCH2CH3 1-Butene 1AC1
616 CH3CH2CH2CH3 Butane 1AgAnti
617 CH3CH2CH2CH3 Butane 1AGauche
618 C2N2 Cyanogen 1ΣgD∞h
619 As4 Arsenic tetramer 1A1Td
620 HCCCN+ Cyanoacetylene cation 2ΠC∞v
621 H2CNCN cyanamide, methylene   
622 HNCCNH Ethenediimine   
623 CH3N3 methyl azide 1A'Cs
624 NH2CCNH2 Diaminoacetylene 1AC2
625 NH2CH2CN Aminoacetonitrile 1A'Cs
626 CH3NHN2+ methyl azide, protonated 1AC1
627 C2H5CN ethyl cyanide 1A'Cs
628 H2NCHCHNH2 diaminoethylene   
629 H2NCHCHNH2 diaminoethylene   
630 CH7N3 triaminomethane   
631 C4H8 cyclobutane 1A1D2d
632 NH2CH2CH2CH3 1-Propanamine 1A'Cs
633 N(SiH3)3 trisilylamine   
634 (CH3)3NH+ protonated trimethyl amine   
635 C3H7NH3+ n-propylamine, protonated 1A'Cs
636 Li2O2 dilithium dioxide   
637 Na2O2 disodium dioxide   
638 K2O2 dipotassium dioxide   
639 C3O Tricarbon monoxide 1ΣC∞v
640 ONNO NO dimer 1Agtrans C2H
641 ONNO NO dimer 1A1cis C2V
642 ONNO NO dimer 1AC2
643 S2N2 Disulfur dinitride 1AGD2h
644 CS3-- Carbonotrithioate   
645 NO3- nitrate anion 1A1'D3h
646 SO3 Sulfur trioxide 1A1'D3h
647 SO3-- Sulfate dianion   
648 S4 Sulfur tetramer   
649 S4 Sulfur tetramer   
650 S4 Sulfur tetramer   
651 HNO3 Nitric acid 1A'Cs
652 NH2NO2 nitramide 1A'Cs
653 C3H2O Propadienal   
654 C3H2O Propadienal   
655 C2H2O2 Ethanedial 1AgC2h
656 C2H3NO Nitrosoethylene   
657 CH3NCO methylisocyante   
658 HOCH2CN cyanomethanol   
659 CH3NO2 Methane, nitro- 1A'Cs
660 H3AlO3 Aluminum hydroxide   
661 CH2CHCHO Acrolein 1A'Cs
662 CH2CHCHO Acrolein   
663 NH2CONH2 Urea 1A1C2v
664 NH2COOH2+ Carbamic acid, O-protonated 1AC1
665 NH3COOH+ protonated Carbamic acid 1A'Cs
666 CH2C(OH)NH2 1-amino vinyl alchohol   
667 CH3C(OH)=NH Ethaninidic acid   
668 CH3CHNOH Acetaldoxime 1A'CS cis
669 HCONHCH3 N-methylformamide 1A'CS cis
670 HCONHCH3 N-methylformamide 1A'CS trans
671 CH3CSNH2 Ethanethioamide   
672 CH5N2O+ urea, N-protonated 1A'Cs
673 H2NCOHNH2+ urea, protonated 1A'Cs
674 C3H5OH Cyclopropanol 1AC1
675 C3H6O Acetone enol 1A'Cs
676 C3H6O Oxetane 1A1C2v
677 C3H6O Oxetane 1A'Cs
678 CH3CH2CHO Propanal 1A'Cs
679 CH3COCH3 Acetone 3A"Cs
680 C2H6O2 1,2-Ethanediol 1AgC2h
681 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
682 CH3COHCH3+ acetone, protonated   
683 C3H7OH 1-Propanol   
684 C3H7SH 1-Propanethiol 1A'Cs
685 Li2F2 Lithium fluoride dimer   
686 FNO2 Nitryl fluoride 1A1C2v
687 FONO Nitrosyl hypofluorite 1A'CS cis
688 ClONO chlorine nitrite 1A'CS cis
689 CF2O Carbonic difluoride 1A1C2v
690 CF2O+ Carbonic difluoride cation   
691 BF3+ boron trifluoride cation   
692 BClF2 Chlorodifluoroborane   
693 BCl3 Borane, trichloro- 1A1'D3h
694 BCl3+ Boron Trichloride cation   
695 GaF3 Gallium trifluoride 1A1'D3h
696 GaCl3 Gallium trichloride 1A1'D3h
697 CF2Cl difluorochloromethyl radical   
698 SiF3 Silicon trifluoride radical 2A1C3v
699 SiF3+ Silicon trifluoride cation 1A1'D3h
700 CFCl2 dichlorofluoromethyl radical   
701 CBr3 tribromomethyl radical   
702 ClO2F Chloryl fluoride 1A'Cs
703 ClOOCl Dichlorine dioxide 1AC2
704 SSCl2 Thiothionyl chloride   
705 NF3 Nitrogen trifluoride 1A1C3v
706 NCl3 nitrogen trichloride 1A1C3v
707 AsCl3 Arsenous trichloride 1A1C3v
708 NBr3 Nitrogen Tribromide 1A1C3v
709 ClF3 Chlorine trifluoride 1A1'D3h
710 ClF3 Chlorine trifluoride 1A1C2v
711 HClO3 Chloric Acid 1A'Cs
712 HClO3 Chloric Acid 1AC1
713 CHF3 Methane, trifluoro- 1A1C3v
714 SiHF3 trifluorosilane   
715 CHBrF2 Methane, bromodifluoro- 1A'Cs
716 CHFClBr fluorochlorobromomethane 1AC1
717 CHBrCl2 Methane, bromodichloro- 1A'Cs
718 CHBr2F dibromofluoromethane   
719 NF3H+ protonated nitrogen trifluoride 1A1C3v
720 AsF3H+ Arsenic trifluoride, protonated   
721 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
722 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
723 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
724 C2H2Br2 1,1-dibromoethene   
725 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
726 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
727 C2H4F2 1,2-difluoroethane 1AgC2H anti
728 C2H4F2 1,2-difluoroethane 1AC2 gauche
729 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
730 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
731 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
732 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
733 CH2BrCH2Cl 1-bromo-2-chloroethane   
734 CH2BrCH2Cl 1-bromo-2-chloroethane   
735 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
736 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
737 CH2CHCH2F Allyl Fluoride   
738 CH2CHCH2F Allyl Fluoride   
739 CH3CHCHF trans-1-Fluoro-1-propene   
740 CH2FCH2OH 2-fluoroethanol   
741 CH2ClCH2OH 2-Chloroethanol 1A'Cs
742 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
743 CH2FCH2CH3 1-Fluoropropane 1A'Cs
744 CH2FCH2CH3 1-Fluoropropane   
745 CH3CHFCH3 2-Fluoropropane 1A'Cs
746 B5H9 pentaborane9   
747 C5H4 pentatetraene   
748 C5H6 Propellane 1A1D3h
749 C5H8 Bicyclo[1.1.1]pentane   
750 CH3CCCH2CH3 2-Pentyne   
751 C3H4N2 1H-Imidazole 1A'Cs
752 C3H4N2 1H-Pyrazole 1A'Cs
753 C3H4N2 2H-Imidazole 1A1C2v
754 C3H4N2 4H-Imidazole 1A'Cs
755 C4H5N Pyrrole 1A1C2v
756 C4H6N+ pyrrole, alpha-protonated 1A'Cs
757 C4H6N+ pyrrole, beta-protonated 1A'Cs
758 C4H6N+ pyrrole, protonated 1A1C2v
759 NH(C2H5)2 diethylamine 1A'Cs
760 C3O2 Carbon suboxide 1ΣGD∞h
761 B2O3 diboron trioxide   
762 B2O3 diboron trioxide   
763 MgCO3 Magnesium Carbonate 1A1C2v
764 BeCO3 Beryllium Carbonate 1A1C2v
765 CHOOCHO diformyl ether   
766 C3H3NO Isoxazole 1A'Cs
767 C3H3NS Thiazole   
768 CH3COCCH 3-butyn-2-one 1A'Cs
769 C4H4Se selenophene   
770 CH3OCH2CN Methoxyacetonitrile 1A'Cs
771 CH3OCH2CN Methoxyacetonitrile 1AC1
772 CH3SO2NH2 methanesulfonamide 1A'Cs
773 CH2CHSCHCH2 Divinyl sulfide   
774 HCOOC2H5 Ethyl formate 1A'Cs
775 C2H6O2S Dimethyl sulfone 1A1C2v
776 C4H8O Furan, tetrahydro- 1AC2
777 C4H8S Thiophene, tetrahydro- 1AC1
778 C4H10O Methyl propyl ether 1AC1
779 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
780 C4H9SH 1-Butanethiol   
781 CF3Cl Methane, chlorotrifluoro- 1A1C3v
782 CF2Cl2 difluorodichloromethane 1A1C2v
783 CF3Br Bromotrifluoromethane 1A1C3v
784 GeF4 Germanium tetrafluoride 1A1Td
785 CBrCl2F bromodichlorofluoromethane   
786 CBr2ClF dibromochlorofluoromethane   
787 CBr2Cl2 dibromodichloromethane 1A1C2v
788 CFBr3 fluorotribromomethane 1A1C3v
789 CBr3Cl tribromochloromethane 1A1C3v
790 CBr4 Carbon tetrabromide 1A1Td
791 SiBr4 Silicon tetrabromide 1A1Td
792 GeBr4 Germanium tetrabromide   
793 ClOF3 Chlorine trifluoride oxide 1A'Cs
794 SF4 Sulfur tetrafluoride 1A1C2v
795 SeF4 Selenium tetrafluoride   
796 SCl4 Sulfur tetrachloride   
797 CH2ClCCCl 1,3-dichloropropyne   
798 CHClCCHCl 1,3-dichloroallene   
799 CHCl2CCH 3,3-dichloropropyne   
800 CHCl2CHO dichloroacetaldehyde 1AC1
801 CHCl2CHO dichloroacetaldehyde   
802 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
803 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
804 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
805 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
806 CH2FCH2CH2F 1,3-difluoropropane   
807 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
808 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
809 C2H2N2O Furazan   
810 NH3BF3 Amminetrifluoroboron 1A1C3v
811 C6H6 Prismane   
812 C6H6 1,2,4,5-Hexatetraene 1AgC2h
813 C6H6 Benzene 1A1gD6h
814 C6H6 Benzvalene 1A1C2v
815 C6H6 Dewar Benzene   
816 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
817 C6H6+ Benzene cation   
818 C6H6+ Benzene cation 2B1gD2h
819 C6H10 1,5-Hexadiene 1AgC2
820 C6H10 3-Hexyne 1A1C2v
821 C6H10 3-Hexyne 1AC2
822 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
823 C4H4N2 Succinonitrile 1AgC2h
824 C5H6N+ Pyridinium 1A1C2v
825 Li2CO3 Lithium Carbonate 1A1C2v
826 MgSO4 Magnesium Sulfate 1A1C2v
827 N2O4 Dinitrogen tetroxide 1AgD2d
828 C3H2O3 vinylene carbonate   
829 C2H2O4 Oxalic Acid 1AgC2h
830 C2H4N2S2 Ethanedithioamide 1AGC2h
831 C2H4O4 Formic acid dimer 1AGC2h
832 C5H6O 2H-Pyran   
833 C5H6O Pentadienal   
834 C4H6O2 γ–Butyrolactone 1AC1
835 CH6N4S Carbonothioic dihydrazide 1AC2
836 C3H6O3 1,3,5-Trioxane 1A1C1
837 C3H6S3 1,3,5-Trithiane 1A1C3v
838 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
839 C4H8O2 Ethyl acetate 1A'Cs
840 C5H10O 3-Pentanone 1A1C2v
841 C4F2 difluorobutadiyne   
842 ClCOClCO Oxalyl chloride 1AGC2h
843 C2ClF3 Ethene, chlorotrifluoro-   
844 CF2CCl2 difluorodichloroethylene 1A1C2v
845 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
846 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
847 C2Br4 tetrabromoethene   
848 SiF5- silicon pentafluoride anion   
849 SOF4 Sulfur tetrafluoride oxide 1A1C2v
850 PF5 Phosphorus pentafluoride 1A1'D3h
851 SF5+ pentafluoro sulfur cation 1A1'D3h
852 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
853 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
854 CH2ClCCl3 1,1,1,2-tetrachloroethane   
855 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
856 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
857 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
858 C4H3ClO Furan, 2-chloro 1A'Cs
859 C4H3ClO Furan,3-chloro 1A'Cs
860 C4H8O2 Butanoic acid 1AC1
861 C7H7 cycloheptatrienyl radical 2A2C2v
862 C7H7+ cycloheptatrienyl cation 1A1'D7h
863 C7H8 Quadricyclane   
864 CH(CN)3 tricyanomethane   
865 HN=C=C(CN)2 Dicyanoketenimine   
866 C5H4O2 furfural 1A'OCCO cis
867 C5H4O2 furfural 1A'OCCO trans
868 C7H10 Norbornene   
869 C6H12O Oxepane   
870 F2CCCF2 tetrafluoroallene   
871 CF3COO- trifluoro acetate anion 1A'Cs
872 CF3COF trifluoroacetyl fluoride 1A'Cs
873 PF6 Hexafluorophosphate neutral 2B2C2v
874 SF6 Sulfur Hexafluoride 1A1GOh
875 CF3CHF2 pentafluoroethane 1A'Cs
876 C8H16 cyclooctane   
877 S4N4 Tetrasulfur tetranitride   
878 C6H5CHO benzaldehyde 1A'Cs
879 C2Cl6 hexachloroethane 1A1gD3d
880 C6H4F2 1,4-difluorobenzene 1AgD2h
881 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
882 C6H4Cl2 1,4-dichlorobenzene   
883 C6H5NO nitrosobenzene 1A'Cs
884 C9H20 Nonane 1A1C2v
885 C3F6 hexafluoropropene   
886 C8H18O 1-Octanol   
887 C10H8 naphthalene 1AgD2h
888 C10H10 bullvalene   
889 B12H12-- Dodecahydrododecaborate(2-)   
890 C12H8 biphenylene 1AgD2h
891 C12H10 biphenyl 1AD2
892 S2F10 disulphur decafluoride   
893 C13H10 Fluorene   
894 C14H14 Bibenzyl 1AC2
895 C6H5COC6H5 benzophenone 1AC2
896 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 HD Deuterium hydride hd  
7 He- Helium atom anion he-  
8 HeH Helium hydride heh  
9 Li Lithium atom li  
10 Li+ Lithium atom cation li+  
11 Na Sodium atom na  
12 Na- Sodium atom anion na-  
13 Na+ Sodium atom cation na+  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH Lithium Hydride lih  
20 LiH- lithium hydride anion lih-  
21 NaH sodium hydride nah  
22 NaH- sodium hydride anion nah-  
23 NaH+ sodium hydride cation nah+  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Be Beryllium atom be  
27 Be- Beryllium atom anion be-  
28 Be+ Beryllium atom cation be+  
29 Mg Magnesium atom mg  
30 Mg- Magnesium atom anion mg-  
31 Mg+ Magnesium atom cation mg+  
32 Ca Calcium atom ca  
33 Ca- Calcium atom anion ca-  
34 Ca+ Calcium atom cation ca+  
35 Zn Zinc atom zn  
36 Zn- Zinc atom anion zn-  
37 Zn+ Zinc atom cation zn+  
38 BeH beryllium monohydride beh  
39 BeH- berylium monohydride anion beh-  
40 BeH+ beryllium monohydride cation beh+  
41 MgH- magnesium monohydride anion mgh-  
42 MgH+ magnesium monohydride cation mgh+  
43 CaH Calcium monohydride cah  
44 CaH+ Calcium monohydride cation cah+  
45 TiH Titanium monohydride tih  
46 ZnH Zinc monohydride znh  
47 BeH2 beryllium dihydride beh2  
48 CaH2 Calcium Hydride cah2  
49 ZnH2 Zinc hydride znh2  
50 B Boron atom b  
51 B- Boron atom anion b-  
52 B+ Boron atom cation b+  
53 Sc Scandium atom sc  
54 Sc+ Scandium cation sc+  
55 BH- boron monohydride anion bh-  
56 BH+ boron monohydride cation bh+  
57 AlH aluminum monohydride alh  
58 AlH- aluminum monohydride anion alh-  
59 AlH+ aluminum monohydride cation alh+  
60 ScH Scandium monohydride sch  
61 BH2 boron dihydride bh2  
62 BH2- boron dihydride anion bh2-  
63 BH2+ Boron dihydride cation bh2+  
64 AlH2 aluminum dihydride alh2  
65 AlH2- aluminum dihydride anion alh2-  
66 AlH2+ aluminum dihydride cation alh2+  
67 BH3 boron trihydride bh3  
68 BH3- boron trihydride anion bh3-  
69 AlH3+ aluminum trihydride cation alh3+  
70 GaH3 Gallium trihydride gah3  
71 AlH4- Aluminum tetrahydride anion alh4-  
72 C- Carbon atom anion c-  
73 C+ Carbon atom cation c+  
74 Si Silicon atom si  
75 Si+ Silicon atom cation si+  
76 Ti Titanium atom ti  
77 Ti- Titanium atom anion ti-  
78 Ti+ Titanium atom cation ti+  
79 Sn Tin atom sn  
80 Sn+ Tin cation sn+  
81 CH- methylidyne anion ch-  
82 CH+ Methylidyne cation ch+  
83 SiH- silicon monohydride anion sih-  
84 SiH2 silicon dihydride sih2  
85 SiH2- silicon dihydride anion sih2-  
86 SiH2+ silicon dihydride cation sih2+  
87 GeH2- germylene anion geh2-  
88 CH3- methyl anion ch3-  
89 CH3+ methyl cation ch3+  
90 SiH3- Silyl anion sih3-  
91 CD4 methane-d4 cd4  
92 CH2D2 methane-d2 ch2d2  
93 CH3D methane-d ch3d  
94 CH4+ Methane cation ch4+  
95 CHD3 methane-d3 chd3  
96 SnH4 Stannane snh4  
97 N- Nitrogen atom anion n-  
98 N+ Nitrogen atom cation n+  
99 P- Phosphorus atom anion p-  
100 P+ Phosphorus atom cation p+  
101 V Vanadium atom v  
102 Sb Antimony atom sb  
103 NH Imidogen nh  
104 NH- Imidogen anion nh-  
105 NH+ imidogen cation nh+  
106 PH- phosphorus monohydride anion ph-  
107 PH+ phosphorus monohydride cation ph+  
108 AsH+ Arsenic monohydride cation ash+  
109 SbH Antimony monohydride sbh  
110 ND2 Amidogen-d2 nd2  
111 NH2- amino anion nh2-  
112 PH2 Phosphino radical ph2  
113 PH2- Phosphino anion ph2-  
114 PH2+ Phosphino cation ph2+  
115 AsH2 Arsenic dihydride ash2  
116 AsH2+ Arsenic dihydride cation ash2+  
117 ND3 Ammonia-d3 nd3  
118 NH3+ ammonia cation nh3+  
119 SbH3 Stibine sbh3  
120 O- Oxygen atom anion o-  
121 O+ Oxygen atom cation o+  
122 Cr Chromium atom cr  
123 Te Tellurium atom te  
124 Te+ Tellurium atom cation te+  
125 DO Hydroxyl-d od  
126 DS Mercapto-d ds  
127 HS Mercapto radical hs  
128 TeH Telluryl radical teh  
129 D2O Deuterium oxide d2o  
130 D2S Hydrogen sulfide-d2 d2s  
131 H2S- Hydrogen sulfide anion h2s-  
132 H2Te Hydrogen Telluride h2te  
133 Mn Manganese atom mn  
134 I Iodine atom iodine  
135 I- Iodine atom anion iodine-  
136 I+ Iodine atom cation iodine+  
137 DF Hydrofluoric acid-d df  
138 DCl Hydrochloric acid-d dcl  
139 HI Hydrogen iodide hi  
140 HI+ Hydrogen iodide cation hi+  
141 H2F+ dihydrogen fluoride cation h2f+  
142 H2I+ Iodonium h2i+  
143 Ne- Neon atom anion ne-  
144 Ne+ Neon atom cation ne+  
145 Ar Argon atom ar  
146 Ar- Argon atom anion ar-  
147 Ar+ Argon atom cation ar+  
148 Fe Iron atom fe  
149 Xe Xenon atom xe  
150 NeH neon hydrogen neh  
151 NeH+ neon hydrogen cation neh+  
152 XeH+ Xenon, protonated xeh+  
153 Co Cobalt atom cobalt  
154 Li2 Lithium diatomic li2  
155 Li2- lithium diatomic anion li2-  
156 Li2+ lithium diatomic cation li2+  
157 NaLi- lithium sodium anion lina-  
158 NaLi+ lithium sodium cation lina+  
159 LiK Lithium Potassium lik  
160 NaK Sodium Potassium nak  
161 K2 Potassium diatomic k2  
162 Cu2 Copper diatomic cu2  
163 LiBe Lithium Beryllium libe  
164 LiMg Lithium magnesium limg  
165 NaBe Sodium Beryllium nabe  
166 NaMg Sodium Magnesium namg  
167 Be2 Beryllium diatomic be2  
168 Be2- Beryllium diatomic anion be2-  
169 Be2+ Beryllium diatomic cation be2+  
170 Mg2 Magnesium diatomic mg2  
171 Mg2- magnesium diatomic anion mg2-  
172 Mg2+ magnesium diatomic cation mg2+  
173 Ca2 Calcium diatomic ca2  
174 LiB Lithium boride lib  
175 BeB Beryllium monoboride beb  
176 B2 Boron diatomic b2  
177 B2- Boron diatomic anion b2-  
178 Al2 Aluminum diatomic al2  
179 Al2- aluminum diatomic anion al2-  
180 Al2+ aluminum diatomic cation al2+  
181 Ga2 Gallium diatomic ga2  
182 LiBH4 Lithium borohydride libh4  
183 Al2H6 dialane al2h6  
184 Ga2H6 digallane ga2h6  
185 LiC Lithium Carbide lic  
186 BeC Beryllium Carbide bec  
187 BC boron monocarbide bc  
188 BC- boron monocarbide anion bc-  
189 BC+ boron monocarbide cation bc+  
190 AlC Aluminum carbide alc  
191 C2 Carbon diatomic c2  
192 C2- carbon diatomic anion c2-  
193 C2+ carbon diatomic cation c2+  
194 SiC silicon monocarbide sic  
195 SiC- silicon monocarbide anion sic-  
196 SiC+ silicon monocarbide cation sic+  
197 Si2 Silicon diatomic si2  
198 Si2- silcon diatomic anion si2-  
199 Si2+ silcon diatomic cation si2+  
200 Ge2 Germanium diatomic ge2  
201 C2H+ Ethynyl cation c2h+  
202 ZnCH2 Zinc methylene znch2  
203 CCH2 vinylidene vinylidene  
204 CuCH3 monomethyl copper cuch3  
205 ZnCH3 Zinc monomethyl znch3  
206 C2H4- Ethylene anion c2h4-  
207 CH3CH methylmethylene ch3ch  
208 CH2SiH2 silaethylene ch2sih2  
209 C2H5- Ethyl anion c2h5-  
210 C2H5+ Ethyl cation c2h5+  
211 CH3SiH3 methyl silane ch3sih3  
212 GeH3CH3 methyl germane geh3ch3  
213 C2H7+ Ethane, protonated c2h7+  
214 LiN+ Lithium Nitride cation lin+  
215 BeN Beryllium mononitride ben  
216 BeN- Beryllium mononitride anion ben-  
217 BeN+ Beryllium mononitride cation ben+  
218 BN- boron nitride anion bn-  
219 AlN- aluminum mononitride anion aln-  
220 AlN+ aluminum mononitride cation aln+  
221 AlP Aluminum monophosphide alp  
222 GaN Gallium mononitride gan  
223 BN boron nitride bn  
224 BN+ boron nitride cation bn+  
225 AlN Aluminum nitride aln  
226 CN- cyanide anion cn-  
227 CN+ Cyano cation cn+  
228 CP Carbon monophosphide cp  
229 CP- carbon monophosphide anion cp-  
230 CP+ carbon monophosphide cation cp+  
231 SiN Silicon nitride sin  
232 SiN- silicon mononitride anion sin-  
233 SiN+ silicon mononitride cation sin+  
234 SiP- Silicon monophosphide anion sip-  
235 SiP+ Silicon monophosphide cation sip+  
236 TiN Titanium mononitride tin  
237 N2+ diatomic nitrogen cation n2+  
238 PN- phosphorus nitride anion pn-  
239 PN+ phosphorus nitride cation pn+  
240 P2 Phosphorus diatomic p2  
241 P2- phosphorus diatomic anion p2-  
242 P2+ phosphorus diatomic cation p2+  
243 AsN Arsenic mononitride asn  
244 AsP Arsenic monophosphide asp  
245 SbN Antimony nitride sbn  
246 As2 Arsenic diatomic as2  
247 HNB hydrogen nitrogen boron hnb  
248 HNC hydrogen isocyanide hnc  
249 HCN- Hydrogen cyanide anion hcn-  
250 HCP Phosphaethyne hcp  
251 NNH Dinitrogen monohydride nnh  
252 HPO Hydrogen phosphorus oxide hpo  
253 HPO+ Hydrogen phosphorus oxide cation hpo+  
254 CNH2 Aminomethylidyne radical cnh2  
255 CNH2+ N-protonated hydrogen isocyanide cnh2+  
256 H2CN Dihydrogen cyanide radical h2cn  
257 H2CN+ hydrocyanonium cation h2cn+  
258 HCNH methyleneazane hcnh  
259 HCNH+ N-protonated HCN hcnh+  
260 N2H2 (E)-diazene n2h2  
261 N2H2 (Z)-Diazene n2h2z  
262 CH2PH Phosphaethene ch3p  
263 N2H4+ hydrazine cation n2h4+  
264 P2H4 Diphosphine p2h4  
265 CH3NH2+ methyl amine cation ch3nh2+  
266 CH3PH2 Methyl phosphine ch3ph2  
267 CH3NH3+ protonated methylamine ch3nh3+  
268 NH3NH3 Ammonia Dimer nh3nh3  
269 LiO lithium oxide lio  
270 LiO- lithium oxide anion lio-  
271 LiO+ lithium oxide cation lio+  
272 LiS Lithium monosulfide lis  
273 LiS+ Lithium sulfide cation lis+  
274 NaO sodium monoxide nao  
275 NaO- sodium oxide anion nao-  
276 NaO+ sodium oxide cation nao+  
277 KO Potassium monoxide ko  
278 KO+ Potassium monoxide cation ko+  
279 NaS Sodium sulfide nas  
280 CuO Copper Monoxide cuo  
281 BeO beryllium oxide beo  
282 BeO- Beryllium monoxide anion beo-  
283 BeO+ Beryllium monoxide cation beo+  
284 BeS beryllium sulfide bes  
285 MgO magnesium oxide mgo  
286 MgO- magnesium oxide anion mgo-  
287 MgO+ magnesium oxide cation mgo+  
288 MgS magnesium sulfide mgs  
289 MgS- magnesium sulfide anion mgs-  
290 ZnO zinc monoxide zno  
291 ZnS Zinc sulfide zns  
292 BeS- Beryllium monosulfide anion bes-  
293 BeS+ Beryllium monosulfide cation bes+  
294 BO- boron monoxide anion bo-  
295 AlO Aluminum monoxide alo  
296 AlO- Aluminum monoxide anion alo-  
297 AlO+ aluminum monoxide cation alo+  
298 BS boron sulfide bs  
299 BS- boron monosulfide anion bs-  
300 BS+ boron monosulfide cation bs+  
301 AlS Aluminum sulfide als  
302 AlS- aluminum monosulfide anion als-  
303 AlS+ aluminum monosulfide cation als+  
304 ScO Scandium monoxide sco  
305 BO+ boron monoxide cation bo+  
306 CS carbon monosulfide cs  
307 CS- carbon monosulfide anion cs-  
308 CS+ carbon monosulfide cation cs+  
309 SiO- silicon monoxide anion sio-  
310 SiO+ silicon monoxide cation sio+  
311 SiS- silicon monosulfide anion sis-  
312 SiS+ silicon monosulfide cation sis+  
313 TiO Titanium monoxide tio  
314 CSe- Carbon monoselenide anion cse-  
315 CSe+ Carbon monoselenide cation cse+  
316 NS- nitrogen sulfide anion ns-  
317 NS+ nitrogen sulfide cation ns+  
318 PO- phosphorus monoxide anion po-  
319 PO+ phosphorus monoxide cation po+  
320 PS- phosphorus monosulfide anion ps-  
321 PS+ phosphorus monosulfide cation ps+  
322 VO Vanadium monoxide vo  
323 AsO Arsenic monoxide aso  
324 O2+ diatomic oxygen cation o2+  
325 SO- sulfur monoxide anion so-  
326 S2- sulfur diatomic anion s2-  
327 S2+ sulfur diatomic cation s2+  
328 SeO- selenium monoxide anion seo-  
329 SeO+ selenium monoxide cation seo+  
330 SeS Selenium monosulfide ses  
331 SeS- selenium monosulfide anion ses-  
332 SeS+ selenium monosulfide cation ses+  
333 TeO Tellurium monoxide teo  
334 Se2- selenium diatomic anion se2-  
335 Se2+ selenium diatomic cation se2+  
336 Te2 Tellurium diatomic te2  
337 NaOH sodium hydroxide naoh  
338 MgOH magnesium hydroxide mgoh  
339 CaOH Calcium monohydroxide caoh  
340 HCS Thioformyl radical hcs  
341 HCS- Thioformyl anion hcs-  
342 HCS+ Thioformyl cation hcs+  
343 HNO- Nitrosyl hydride anion hno-  
344 HNS Sulfur imide hns  
345 HNS- Sulfur imide anion hns-  
346 HO2 Hydroperoxy radical ho2  
347 HO2- Hydroperoxy anion ho2-  
348 HS2 Thiosulfeno radical hs2  
349 HOCH hydroxycarbene hoch  
350 H2O2+ Hydrogen peroxide cation h2o2+  
351 CH2OH Hydroxymethyl radical ch2oh  
352 CH3O Methoxy radical ch3o  
353 CH3S thiomethoxy ch3s  
354 NH3O Ammonia Oxide nh3o  
355 H2POH Phosphinous acid h2poh  
356 H3PO Phosphine oxide h3po  
357 H3O2+ hydrogen peroxide, protonated h3o2+  
358 CH3OH- Methyl alcohol anion ch3oh-  
359 CH3SeH Methane selenol ch3seh  
360 CH3OH2+ Methanol, protonated ch3oh2+  
361 H2ONH3 Water Ammonia Dimer h2onh3  
362 LiCl- lithium chloride anion licl-  
363 NaF sodium fluoride naf  
364 NaF- sodium fluoride anion naf-  
365 KF Potassium Fluoride kf  
366 NaCl Sodium Chloride nacl  
367 NaCl- sodium chloride anion nacl-  
368 NaCl+ sodium chloride cation nacl+  
369 KCl Potassium Chloride kcl  
370 CuF Copper monofluoride cuf  
371 LiBr- lithium bromide anion libr-  
372 LiBr+ lithium bromide cation libr+  
373 CuCl Copper monochloride cucl  
374 NaBr Sodium Bromide nabr  
375 NaBr- sodium bromide anion nabr-  
376 NaBr+ sodium bromide cation nabr+  
377 KBr Potassium Bromide kbr  
378 LiI Lithium Iodide lii  
379 NaI Sodium Iodide nai  
380 KI Potassium Iodide ki  
381 LiF- lithium fluoride anion lif-  
382 BeF Beryllium monofluoride bef  
383 BeF- Beryllium monofluoride anion bef-  
384 BeF+ Beryllium monofluoride cation bef+  
385 BeCl beryllium monochloride becl  
386 MgF Magnesium monofluoride mgf  
387 MgF- magnesium fluoride anion mgf-  
388 MgF+ magnesium fluoride cation mgf+  
389 CaF Calcium monofluoride caf  
390 MgCl magnesium monochloride mgcl  
391 MgCl- magnesium monochloride anion mgcl-  
392 MgCl+ magnesium monochloride cation mgcl+  
393 CaCl calcium monochloride cacl  
394 ZnF- Zinc monofluoride anion znf-  
395 ZnF+ Zinc monofluoride cation znf+  
396 ZnCl Zinc monochloride zncl  
397 BeCl- beryllium monochloride anion becl-  
398 BeCl+ beryllium monochloride cation becl+  
399 BF- Boron monofluoride anion bf-  
400 BF+ Boron monofluoride cation bf+  
401 AlF- Aluminum monofluoride anion alf-  
402 AlF+ Aluminum monofluoride cation alf+  
403 BCl boron monochloride bcl  
404 BCl- boron monochloride anion bcl-  
405 BCl+ boron monochloride cation bcl+  
406 AlCl Aluminum monochloride alcl  
407 AlCl- aluminum monochloride anion alcl-  
408 AlCl+ aluminum monochloride cation alcl+  
409 ScF Scandium monofluoride scf  
410 BBr Boron monobromide bbr  
411 AlI Aluminum monoiodide ali  
412 CF- carbon monofluoride anion cf-  
413 CF+ carbon monofluoride cation cf+  
414 CCl carbon monochloride ccl  
415 CCl- carbon monochloride anion ccl-  
416 CCl+ carbon monochloride cation ccl+  
417 SiF- silicon monofluoride anion sif-  
418 SiCl- silicon monochloride anion sicl-  
419 SiCl+ silicon monochloride cation sicl+  
420 NF nitrogen fluoride nf  
421 NF- nitrogen monofluorine anion nf-  
422 NF+ nitrogen monofluoirde cation nf+  
423 NCl- nitrogen monochloride anion ncl-  
424 NCl+ nitrogen monochloride cation ncl+  
425 PF phosphorus monofluoride pf  
426 PF- phosphorus monofluoride anion pf-  
427 PF+ phosphorus monofluoride cation pf+  
428 PCl phosphorus chloride pcl  
429 PCl- phosphorus monochloride anion pcl-  
430 PCl+ phosphorus monochloride cation pcl+  
431 AsF Arsenic monofluoride asf  
432 NBr nitrogen monobromide nbr  
433 SbF Antimony monofluoride sbf  
434 SbCl Antimony monochloride sbcl  
435 FO- flourine oxide anion fo-  
436 FO+ fluorine monoxide cation fo+  
437 ClO- chlorine monoxide anion clo-  
438 SF- sulfur monofluoride anion sf-  
439 SCl- sulfur monochloride anion scl-  
440 BrO- Bromine monoxide anion bro-  
441 SeF Selenium monofluoride sef  
442 IO Iodine monoxide io  
443 ClF- clorine monofluoride anion clf-  
444 Cl2 Chlorine diatomic cl2  
445 Cl2- chlorine diatomic anion cl2-  
446 BrF- bromine fluoride anion brf-  
447 BrF+ bromine fluoride cation brf+  
448 BrCl- bromine chloride anion brcl-  
449 BrCl+ bromine chloride cation brcl+  
450 IF Iodine monofluoride if  
451 ICl Iodine monochloride icl  
452 IBr Iodine monobromide ibr  
453 I2 Iodine diatomic i2  
454 I2+ Iodine diatomic cation i2+  
455 HCCl Chloromethylene hccl  
456 CHBr bromomethylene chbr  
457 DOCl Hypochlorous acid-d docl  
458 HOBr Hypobromous acid hobr  
459 HOBr+ Hypobromous acid cation hobr+  
460 HOI Hypoiodous acid hoi  
461 FHF Hydrogen difluoride fhf  
462 FHF- Hydrogen difluoride anion fhf-  
463 NH2F monofluoroamine nh2f  
464 H2F2 Hydrogen fluoride dimer h2f2  
465 CD3F methylfluoride-d3 cd3f  
466 CD3Cl methyl chloride d3 cd3cl  
467 CH3I methyl iodide ch3i  
468 SiH3I Silyl Iodide sih3i  
469 Ne2 Neon diatomic ne2  
470 Ne2+ Neon diatomic cation ne2+  
471 Li3 Lithium trimer li3  
472 Li3+ Lithium trimer cation li3+  
473 C3+ carbon trimer cation c3+  
474 C3H3 cyclopropenyl radical cpr  
475 C3H3 Propargyl radical propargyl  
476 C3H3- Propargyl anion c3h3-  
477 C3H3+ cyclopropenyl cation cpr+  
478 C3H3+ Propargyl cation c3h3+  
479 C3H5 Allyl radical allyl  
480 C3H5+ Allyl cation allyl+  
481 CH3CHCH 1-propenyl radical ch3chch  
482 Zn(CH3)2 dimethyl zinc dmz  
483 SiH2(CH3)2 dimethylsilane dms  
484 NaCN Sodium Cyanide nacn  
485 CuCN Copper cyanide cucn  
486 CN2 3H-Diazirin-3-ylidene cn2  
487 NCN Cyanoimidogen ncn  
488 N3- azide anion n3-  
489 HCCN cyanomethylene hccn  
490 CH2N2 diazirine ch2n2  
491 CH2NN diazomethane ch2nn  
492 NH2CN cyanamide cyanamide  
493 CH3CN+ Acetonitrile cation ch3cn+  
494 CH3NC methyl isocyanide ch3nc  
495 CH2CHNH vinylazine ch2chnh  
496 CH3CHN methylmethaniminyl radical ch3chn  
497 NHCHNH2 aminomethanimine cn2h4  
498 C2H5N Aziridine c2h5n  
499 CH2CHNH2 aminoethene aminoethene  
500 CH2NCH3 N-methylmethanimine nmm  
501 CH3CHNH ethanimine ethanimine  
502 NH2BHNH2 diaminoborane nh2bhnh2  
503 NH2CH2NH2 diaminomethane nh2ch2nh2  
504 CH3NHCH3 Dimethylamine ch3nhch3  
505 NH2CH2NH3+ diaminoethane, protonated pdam  
506 Li2O+ dilithium oxide cation li2o+  
507 Li2S dilithium sulfide li2s  
508 CCO Dicarbon monoxide cco  
509 CNO- fulminate cno-  
510 NCO- cyanate nco-  
511 SCN thiocyanato radical scn  
512 SCN- thiocyanide anion scn-  
513 BO2 Boron dioxide bo2  
514 BO2- Boron dioxide anion bo2-  
515 BO2+ Boron dioxide cation bo2+  
516 N2O+ Nitrous oxide cation n2o+  
517 NNS Nitrogen sulfide nns  
518 PPO Phosphorus oxide phosphide ppo  
519 CO2- Carbon dioxide anion co2-  
520 CO2+ Carbon dioxide cation co2+  
521 OCS+ Carbonyl sulfide cation cos+  
522 SiO2 silicon dioxide sio2  
523 CS2- Carbon disulfide anion cs2-  
524 CS2+ Carbon disulfide cation cs2+  
525 TiO2 Titanium dioxide tio2  
526 GeS2 Germanium disulfide ges2  
527 CSe2 Carbon diselenide cse2  
528 SCTe Carbon sulfide Telluride scte  
529 NO2- Nitrogen dioxide anion no2-  
530 PO2 Phosphorus dioxide po2  
531 PO2- Phosphorus dioxide anion po2-  
532 PO2+ Phosphorus dioxide cation po2+  
533 AsO2 Aresenic dioxide aso2  
534 O3- Ozone anion o3-  
535 O3+ Ozone cation o3+  
536 SO2- Sulfur dioxide anion so2-  
537 SO2+ Sulfur dioxide cation so2+  
538 S3- Sulfur trimer anion s3-  
539 S3+ Sulfur trimer cation s3+  
540 TeO2 Tellurium Dioxide teo2  
541 CS2H+ Carbon disulfide, protonated cs2h+  
542 HNCO Isocyanic acid hnco  
543 HOCN cyanic acid hocn  
544 HCO2- formate anion hco2-  
545 HNNO nitrosoazane hnno  
546 HCOO formate neutral radical hcoo  
547 HOCO+ Hydrocarboxyl cation hoco+  
548 HNO2 Nitrous acid hno2  
549 HNO2+ nitrous acid cation hno2+  
550 CH2CO+ Ketene cation ch2co+  
551 HCCOH ethynol hccoh  
552 Mg(OH)2 Magnesium dihydroxide h2mgo2  
553 CH2O2 Dioxirane diox  
554 H2O3 Hydrogen trioxide h2o3  
555 HSSSH trisulfane hsssh  
556 NaOCH3 Sodium methoxide naoch3  
557 CH2CHO Vinyloxy radical ch2cho  
558 CH3CO Acetyl radical ch3co  
559 CH3CO- Acetyl anion ch3co-  
560 CH3CO+ acetyl cation ch3co+  
561 CH2OOH CH2OOH radical ch2ooh  
562 CH3OO methylperoxy radical ch3oo  
563 CH3OO- methylperoxy anion ch3oo-  
564 CH3OO+ methylperoxy cation ch3oo+  
565 CH2CHOH ethenol ch2choh  
566 H2CONH2+ protonated formamide h2conh2+  
567 NH3CHO+ Formamide, N-Protonated nh3cho+  
568 CH2(OH)2 methanediol ch2o2h2  
569 CH3OOH Methyl peroxide ch3ooh  
570 H2OH2CO water formaldehyde dimer h2oh2co  
571 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
572 CH3CH2O Ethoxy radical ethoxy  
573 CH3OCH2 methoxymethyl radical ch3och2  
574 CH3OHH2O methanol water dimer ch3ohh2o  
575 H2OCH3OH water methanol dimer h2och3oh  
576 ZnF2 Zinc difluoride znf2  
577 FCN Cyanogen fluoride fcn  
578 ClCN chlorocyanogen clcn  
579 ICN Cyanogen iodide icn  
580 BeF2 Beryllium fluoride bef2  
581 MgF2 Magnesium fluoride mgf2  
582 BeCl2 Beryllium chloride becl2  
583 MgCl2 Magnesium dichloride mgcl2  
584 CaCl2 Calcium Chloride cacl2  
585 ZnCl2 Zinc dichloride zncl2  
586 CaF2 Calcium difluoride caf2  
587 FCO Carbonyl fluoride fco  
588 FCO+ Carbonyl fluoride cation fco+  
589 ClCO carbonyl monochloride clco  
590 BrNO Nitrosyl bromide brno  
591 INO Nitrosyl iodide ino  
592 CF2- Difluoromethylene anion cf2-  
593 CF2+ Difluoromethylene cation cf2+  
594 CCl2 dichloromethylene ccl2  
595 CCl2- dichloromethylene anion ccl2-  
596 CCl2+ dichloromethylene cation ccl2+  
597 SiCl2 Dichlorosilylene sicl2  
598 GeF2 Germanium difluoride gef2  
599 FOO Dioxygen monofluoride radical foo  
600 ClOO chloroperoxy radical cloo  
601 ClOO+ chloroperoxy cation cloo+  
602 OClO+ Chlorine dioxide cation oclo+  
603 ClS2 Sulfur chloride cls2  
604 NF2 Difluoroamino radical nf2  
605 NF2+ Difluoroamino cation nf2+  
606 F2O Difluorine monoxide f2o  
607 SF2- sulfur difluoride anion sf2-  
608 SF2+ sulfur difluoride cation sf2+  
609 Cl2O Dichlorine monoxide cl2o  
610 SCl2 Sulfur dichloride scl2  
611 BrOCl Bromine hypochlorite brocl  
612 BrOBr Bromine oxide brobr  
613 F3- trifluoride anion f3-  
614 Cl3- trichloride anion cl3-  
615 I3- triiodide i3-  
616 HCCF+ fluoroacetylene cation hccf+  
617 HCCCl Chloroacetylene hcccl  
618 HFCO formyl fluoride hfco  
619 HFCO+ formyl fluoride cation hfco+  
620 COHCl Formyl chloride cohcl  
621 COHBr Formyl bromide cohbr  
622 BHF2 Difluoroborane bhf2  
623 BHCl2 Borane, dichloro- bhcl2  
624 HOClO Chlorous acid hoclo  
625 CH2FCl fluorochloromethane ch2fcl  
626 CH2FI fluoroiodomethane ch2fi  
627 CH2ClI chloroiodomethane ch2cli  
628 CH2BrI bromoiodomethane ch2bri  
629 CH2I2 Diiodomethane ch2i2  
630 CH2CHF+ fluoroethene cation ch2chf+  
631 C2H3Cl Ethene, chloro- ch2chcl  
632 C2H3Br vinyl bromide c2h3br  
633 C2H3I Vinyl iodide c2h3i  
634 CH3OCl methyl hypochlorite ch3ocl  
635 C2H5F fluoroethane c2h5f  
636 CH3CH2Cl Ethyl chloride c2h5cl  
637 CH3SiFH2 fluoromethylsilane ch3sifh2  
638 C2H5I Ethyl iodide c2h5i  
639 KrF2 Krypton difluoride krf2  
640 XeF2 Xenon difluoride xef2  
641 B4H10 Tetraborane(10) b4h10  
642 C4+ Carbon tetramer cation c4+  
643 C4H2 Diacetylene c4h2  
644 C2H3CCH 1-Buten-3-yne c2h3cch  
645 C4H4 cyclobutadiene cbd  
646 H2CCCCH2 Butatriene h2cccch2  
647 C4H6 Cyclobutene c822355  
648 C4H6 Methylenecyclopropane c6142730  
649 CH2CCHCH3 1,2-Butadiene butad12  
650 CH2CHCHCH2 1,3-Butadiene c106990  
651 CH3CCCH3 2-Butyne c503173  
652 CHCCH2CH3 1-Butyne c107006  
653 CH3CHCHCH2 methylallyl radical c4h7  
654 C4H8 methylcyclopropane mcp  
655 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
656 CH3CHCHCH3 2-Butene, (E)- bute2e  
657 CH3CHCHCH3 2-Butene, (Z)- bute2z  
658 B(CH3)3 trimethylborane bme3  
659 Al(CH3)3 trimethyl aluminum tma  
660 C(CH3)3 Tert-butyl radical tbutyl  
661 CH2CH(CH3)2 Isobutyl radical isobutyl  
662 CH3CHCH2CH3 2-Butyl radical butyl2  
663 CH3CH(CH3)CH3 Isobutane isobutane  
664 SiH(CH3)3 trimethylsilane trimsi  
665 Li3N trilithium nitride li3n  
666 C2N2+ Cyanogen cation c2n2+  
667 P4 Phosphorus tetramer p4  
668 HCCCN Cyanoacetylene hcccn  
669 C3H3N acrylonitrile ch2chcn  
670 C3H3N+ acrylonitrile cation ch2chcn+  
671 CH5N3 Guanidine guanidine  
672 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
673 CH6N3+ guanidinium ch6n3+  
674 C3H7N Cyclopropylamine cpram  
675 C3H7N Azetidine azet  
676 C2H8N2 Ethylenediamine ethdiam  
677 CH3NHNHCH3 dimethyl hydrazine dmh  
678 CH3CH(NH2)CH3 2-Propanamine pram2  
679 N(CH3)3 Trimethylamine trimeam  
680 P(CH3)3 trimethylphosphine tmp  
681 As(CH3)3 trimethyl arsine tmas  
682 B2O2 Diboron dioxide b2o2  
683 CO3 Carbon trioxide co3  
684 CO3-- carbonate co3--  
685 NO3 Nitrogen trioxide no3  
686 NO3+ nitrogen trioxide cation no3+  
687 SO3- Sulfur trioxide anion so3-  
688 SO3+ Sulfur trioxide cation so3+  
689 SeO3 selenium trioxide seo3  
690 TeO3 Tellurium trioxide teo3  
691 HCO3- bicarbonate anion hco3-  
692 HSO3 Hydroxysulfonyl radical hso3  
693 C2H2CO cyclopropenone c2h2co  
694 HCCCHO 2-propynal hcccho  
695 C2H2O2+ Ethanedial cation c2h2o2+  
696 H2CO3 Carbonic acid h2co3  
697 H2CS3 thiocarbonic acid h2cs3  
698 H2NO3+ Nitric Acid, Protonated h2no3+  
699 H2SO3 Sulfurous acid h2so3  
700 CH3COO- acetate anion ch3coo-  
701 CH3ONO Methyl nitrite ch3ono  
702 NH2COOH Carbamic acid nh2cooh  
703 H3BO3 Boric acid h3bo3  
704 H3CO3+ carbonic acid, protonated h3co3+  
705 C3H4O 2-Propyn-1-ol c107197  
706 C3H4O allenol c9000071  
707 C3H4O Cyclopropanone cpone  
708 C3H4O Methylketene c6004440  
709 NH2CONH2+ Urea cation urea+  
710 NH2CSNH2 Thiourea thiourea  
711 C2H4O2 1,3-dioxetane c2h4o2  
712 CH3COOH Acetic acid ch3cooh  
713 CH3OCHO methyl formate ch3ocho  
714 CHOCH2OH hydroxy acetaldehyde haa  
715 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
716 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
717 HCOOHH2O Formic acid water dimer hcoohh2o  
718 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
719 CH3COCH2 Acetonyl radical ch3coch2  
720 CH3CONH2 Acetamide acetamide  
721 C2H5OO ethylperoxy radical c2h5oo  
722 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
723 C3H6O 2-Propen-1-ol c107186  
724 C3H6O Propylene oxide prox  
725 CH3COCH3- acetone anion ch3coch3-  
726 C3H6S Thietane thietane  
727 C3H6S Thiirane, methyl- methiirane  
728 CH3CSCH3 Thioacetone ch3csch3  
729 CH3OOCH3 dimethylperoxide dmp  
730 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
731 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
732 HOCH2CH2NH2 monoethanolamine mea  
733 CH3CHOHCH3 Isopropyl alcohol isoproh  
734 CH3OC2H5 Ethane, methoxy- etome  
735 CH3CHSHCH3 2-Propanethiol isoprsh  
736 CH3SCH2CH3 Ethane, (methylthio)- etsme  
737 H2OCH3OCH3 water dimethylether dimer h2och3och3  
738 Na2F2 Sodium Fluoride Dimer na2f2  
739 Na2Cl2 Disodium dichloride na2cl2  
740 C2F2 difluoroacetylene c2f2  
741 C2Cl2 dichloroacetylene c2cl2  
742 C2Cl2+ dichloroacetylene cation c2cl2+  
743 ClNO2 Nitryl chloride clno2  
744 BrONO Bromine nitrite brono  
745 N2F2 (Z)-Difluorodiazene n2f2_z  
746 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
747 COFCl Carbonic chloride fluoride cofcl  
748 CCl2O Phosgene cl2co  
749 Cl2CS Thiophosgene cl2cs  
750 COBr2 Carbonic dibromide cobr2  
751 BF3 Borane, trifluoro- bf3  
752 BF3- Borane, trifluoro- anion bf3-  
753 AlF3 Aluminum trifluoride alf3  
754 AlF2Cl Aluminum chloride difluoride alclf2  
755 ScF3 Scandium trifluoride ScF3  
756 AlFCl2 Aluminum dichloride fluoride alcl2f  
757 AlCl3 Aluminum trichloride alcl3  
758 BBr3 Boron tribromide bbr3  
759 AlBr3 Aluminum Bromide albr3  
760 ClO3 Chlorine trioxide clo3  
761 ClO3- chlorate anion clo3-  
762 BrO3- Bromate anion bro3-  
763 CF3 Trifluoromethyl radical cf3  
764 CF3- Trifluoromethyl anion cf3-  
765 CF3+ Trifluoromethyl cation cf3+  
766 CCl3 Trichloromethyl radical ccl3  
767 CCl3- Trichloromethyl anion ccl3-  
768 CCl3+ Trichloromethyl cation ccl3+  
769 SiCl3 trichlorosilyl radical sicl3  
770 SiCl3+ trichlorosilyl cation sicl3+  
771 FOOF Perfluoroperoxide foof  
772 F2SO Thionyl Fluoride f2so  
773 FSSF Difluorodisulfane fssf  
774 S2F2 Thio-thionyl fluoride s2f2  
775 SOCl2 thionyl chloride socl2  
776 SeOCl2 selenium oxychloride seocl2  
777 NF3- Nitrogen trifluoride anion nf3-  
778 NF3+ Nitrogen trifluoride cation nf3+  
779 PF3 Phosphorus trifluoride pf3  
780 AsF3 Arsenic trifluoride asf3  
781 PCl3 Phosphorus trichloride pcl3  
782 SbF3 Antimony Trifluoride sbf3  
783 SbCl3 Antimony Trichloride sbcl3  
784 PBr3 Phosphorus tribromide pbr3  
785 AsBr3 Arsenic tribromide asbr3  
786 NI3 Nitrogen triiodide ni3  
787 PI3 Phosphorus triiodide pi3  
788 ClSSCl Disulfur dichloride s2cl2  
789 SF3 Sulfur trifluoride sf3  
790 BrF3 Bromine trifluoride brf3  
791 IF3 iodone trifluoride if3  
792 CHF2Cl difluorochloromethane chf2cl  
793 CHFCl2 fluorodichloromethane chfcl2  
794 CDCl3 trichloromethane-d cdcl3  
795 SiHCl3 Trichlorosilane sihcl3  
796 CHF2I difluoroiodomethane chf2i  
797 CHFClI fluorochloroiodomethane chfcli  
798 CHCl2I dichloroiodomethane chcl2i  
799 CHClBr2 Methane, dibromochloro- chclbr2  
800 CHBr3 bromoform chbr3  
801 CHI3 Iodoform chi3  
802 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
803 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
804 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
805 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
806 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
807 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
808 CH2FCHO Fluoroacetaldehyde ch2fcho  
809 CH3COF Acetyl fluoride ch3cof  
810 CH2ClCHO chloroacetaldehyde ch2clcho  
811 CH3COCl Acetyl Chloride ch3cocl  
812 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
813 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
814 CH2CFCH3 2-fluoropropene 2fpro  
815 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
816 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
817 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
818 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
819 CH3CH2CH2Br n-propyl bromide prbr  
820 CH3CHBrCH3 i-propyl bromide iprbr  
821 C3H9O+ trimethyl oxonium cation c3h9o+  
822 C5H5 cyclopentadienyl radical c5h5  
823 C5H5- cylopentadienyl anion c5h5-  
824 C5H6 1,3-Cyclopentadiene c542927  
825 C5H6 1-Buten-3-yne, 2-methyl- c78808  
826 C5H6 3-Penten-1-yne, (E)- c2004695  
827 C5H6 3-Penten-1-yne, (Z)- c1574409  
828 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
829 C5H6 Cyclopropylacetylene c6746947  
830 C5H7 1,3-pentadienyl radical pdyl  
831 C5H7 cyclopentenyl radical cpyl  
832 C5H8 1,2-Butadiene, 3-methyl- c598254  
833 C5H8 1,2-Pentadiene c591957  
834 C5H8 1,3-Butadiene, 2-methyl- c78795  
835 C5H8 1,3-Pentadiene, (E)- c2004708  
836 C5H8 1,3-Pentadiene, (Z)- c1574410  
837 C5H8 1,4-Pentadiene c591935  
838 C5H8 1-pentyne a1pentyne  
839 C5H8 2,3-Pentadiene c591968  
840 C5H8 Cyclobutane, methylene- c1120565  
841 C5H8 Cyclopentene c142290  
842 C5H8 Ethenylcyclopropane c693867  
843 C5H10 1-Butene, 2-methyl- c563462  
844 C5H10 2-Butene, 2-methyl- c513359  
845 C5H10 2-Pentene, (E)- c646048  
846 C5H10 2-Pentene, (Z)- c627203  
847 C5H10 Cyclopentane c287923  
848 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
849 CH2CHCH2CH2CH3 1-pentene pentene  
850 C5H11 2-Methylbut-2-yl radical c4348350  
851 C5H12 Butane, 2-methyl- buta2  
852 C5H12 Pentane pentane  
853 C5H12 Propane, 2,2-dimethyl- neopentane  
854 Si(CH3)4 tetramethylsilane tms  
855 N2O3 Dinitrogen trioxide n2o3  
856 C3H2N2 Malononitrile c3h2n2  
857 CH2N4 1H-Tetrazole 1htz  
858 C3H3N2 imidazolyl radical im  
859 C3H3N2- imidizolyl anion im-  
860 C2H3N3 1H-1,2,4-Triazole c288880  
861 C4H4N pyrrolide radical c4h4n  
862 C4H4N- pyrrolide anion c4h4n-  
863 C4H5N (E)-2-Butenenitrile c627269  
864 C4H5N (Z)-2-Butenenitrile c1190767  
865 C4H5N 2H-pyrrole pyrrole2  
866 C4H5N 3H-pyrrole pyrrole3  
867 C4H5N Cyclopropanecarbonitrile c5500210  
868 CH2CHCH2CN Allylcyanide ch2chch2cn  
869 C3H6N2 3-Aminopropionitrile c151188  
870 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
871 CH3CH2CH2CN Butanenitrile c109740  
872 C5H8 Bicyclo[2.1.0]pentane c185944  
873 C5H8 Spiropentane c157404  
874 C4H9N Cyclobutylamine cbam  
875 C4H9N Pyrrolidine pyrrolidine  
876 C3H10N2 1,2-Diaminopropane diampr12  
877 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
878 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
879 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
880 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
881 NC4H12+ tetramethyl ammonium cation nc4h12+  
882 C3O2+ Carbon suboxide cation c3o2+  
883 CaCO3 Calcium Carbonate caco3  
884 ONONO Nitrosyl nitrite onono  
885 PO4--- phosphate po4---  
886 SO4-- sulfate so4--  
887 HOONO2 peroxy nitric acid hoono2  
888 HSO4- bisulfate anion hso4-  
889 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
890 C3H2O2 Propiolic acid c3h2o2  
891 CHOCOOH oxo acetic acid oaa  
892 H2SO4 Sulfuric acid h2so4  
893 H2SeO4 Selenic acid h2seo4  
894 C3H3NO Oxazole oxazole  
895 CH3C(O)OO acetyl peroxy radical ch3coo2  
896 CH3NO3 Methyl nitrate ch3no3  
897 H3PO4 Phosphoric Acid h3po4  
898 C4H4O+ Furan cation furan+  
899 C4H4S Thiophene furans  
900 C3H4O2 β–Propiolactone beta  
901 C3H4O2 2-Propenoic acid propenoic2  
902 C3H4O2 Methyl glyoxal megly  
903 C3H4O2 propanedial propanedial  
904 C3H4O2 propenalol propenalol  
905 HOCHCCHOH allenediol aldiol  
906 C2H4O3 1,2,3-trioxolane c2h4o3  
907 C2H4O3 trioxolane124 triox  
908 HOCH2COOH Hydroxyacetic acid hac  
909 CH2CHCONH2 Acrylamide c79061  
910 CH5N3S Hydrazinecarbothioamide c79196  
911 H2NCH2COOH Glycine glycine  
912 C4H6O cis-2-butenal butenal2c  
913 C4H6O Cyclobutanone cbutone  
914 C4H6O Furan, 2,3-dihydro- furan23h  
915 C4H6O Furan, 2,5-dihydro- furan25h  
916 CH2CHOCHCH2 Vinyl ether vinylether  
917 CHOCHCHCH3 2-Butenal butenal2  
918 C4H6S Thiophene, 2,3-dihydro- thiop23h  
919 C4H6S Thiophene, 2,5-dihydro- thiop25h  
920 C2H6N2O Urea, methyl- c598505  
921 C3H6O2 1,3-Dioxolane dioxolane  
922 CH3CH2COOH Propanoic Acid propanoic  
923 CH3COOCH3 methyl acetate aame  
924 CH3SSSCH3 dimethyl trisulfide c2h6s3  
925 C3H7NO dimethylformamide dmf  
926 C3H7NO Propanamide propanam  
927 C2H3OC2H5 Ethene, ethoxy- c109922  
928 C4H8O Cyclobutanol c2919235  
929 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
930 CH3COCH2CH3 2-Butanone buta2one  
931 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
932 CHOCH2CH2CH3 Butanal butanal  
933 C3H8O2 1,3-Propanediol c504632  
934 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
935 C3H8O2 Methane, dimethoxy- c109875  
936 C3H8O2 Propylene glycol c57556  
937 C3H8S2 1,3-Propanedithiol c109808  
938 C4H10O 1-Butanol butanol1  
939 C4H10O 1-Propanol, 2-methyl- c78831  
940 C4H10O 2-Butanol, (.+/-.)- butanol2  
941 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
942 C4H10O Propane, 2-methoxy- c598538  
943 C4H10O+ 1-Butanol cation butanol1+  
944 C2H5SC2H5 Diethyl sulfide etset  
945 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
946 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
947 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
948 FNO3 Fluorine nitrate fno3  
949 ClONO2 Chlorine nitrate clono2  
950 BrONO2 Bromine nitrate brono2  
951 TiCl4 Titanium tetrachloride ticl4  
952 ClO4- perchlorate anion clo4-  
953 BF4- tetrafluoroboron anion bf4-  
954 ClFO3 Perchloryl fluoride clfo3  
955 SO2F2 Sulfuryl fluoride so2f2  
956 SO2Cl2 Sulfuryl chloride so2cl2  
957 F3NO Nitrogen trifluoride oxide f3no  
958 F3PO Phosphoryl fluoride pf3o  
959 Cl3PO Phosphoryl chloride pcl3o  
960 CF4 Carbon tetrafluoride cf4  
961 SiF4 Silicon tetrafluoride sif4  
962 TiF4 Titanium tetrafluoride tif4  
963 CFCl3 Trichloromonofluoromethane cfcl3  
964 CCl4+ Carbon tetrachloride cation ccl4+  
965 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
966 SiCl4 Silane, tetrachloro- sicl4  
967 CF3I trifluoroiodomethane cf3i  
968 CBrCl3 Methane, bromotrichloro- cbrcl3  
969 CBr2F2 Methane, dibromodifluoro- cbr2f2  
970 GeCl4 Germanium Tetrachloride gecl4  
971 CCl3I trichloroiodomethane ccl3i  
972 CFClBrI fluorochlorobromoiodomethane cfclbri  
973 CF2I2 difluorodiiodomethane cf2i2  
974 CCl2I2 dichlorodiiodomethane ccl2i2  
975 CBr3I tribromoiododmethane cbr3i  
976 CI4 tetraiodomethane ci4  
977 SiI4 silicon tetraiodide sii4  
978 C2HF3 Trifluoroethylene c2hf3  
979 C2HF3+ Trifluoroethylene cation c2hf3+  
980 CHClCCl2 Trichloroethylene chclccl2  
981 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
982 HClO4 perchloric acid hclo4  
983 HSO3F Fluorosulfonic acid hso3f  
984 CF3OH trifluoromethanol cf3oh  
985 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
986 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
987 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
988 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
989 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
990 SiCl3CH3 methyltrichlorosilane sicl3ch3  
991 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
992 NH3BCl3 Amminetrichloroboron nh3bcl3  
993 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
994 C3H5ClO Oxirane, (chloromethyl)- c106898  
995 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
996 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
997 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
998 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
999 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1000 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1001 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1002 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1003 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1004 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1005 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1006 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1007 C4H9F 1-fluorobutane butaf1  
1008 CH3CHFCH2CH3 2-fluorobutane butaf2  
1009 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1010 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1011 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1012 XeF4 Xenon tetrafluoride xef4  
1013 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1014 C6H2 hexatriyne c6h2  
1015 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1016 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1017 C6H4 Benzyne benzyne  
1018 C6H5 phenyl phenyl  
1019 C6H5- phenyl anion phenyl-  
1020 C6H6 2,4-Hexadiyne hexadiyne  
1021 C6H6 3,4-Dimethylenecyclobutene cb34m  
1022 C6H6 Trimethylenecycopropane tmcp  
1023 C6H8 (E)-hexa-1,3,5-triene c821078  
1024 C6H8 (E)-hexa-2,3,4-triene c59660650  
1025 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1026 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1027 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1028 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1029 C6H8 3-Methylenecyclopentene c930267  
1030 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1031 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1032 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1033 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1034 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1035 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1036 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1037 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1038 C6H10 1-Hexyne hexyne1  
1039 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1040 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1041 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1042 C6H10 2-Hexyne c764352  
1043 C6H10 cyclohexene cyclohexene  
1044 C6H10 Cyclopentene, 1-methyl- c693890  
1045 C6H10 Cyclopentene, 3-methyl- c1120623  
1046 C6H10 Cyclopentene, 4-methyl- c1759815  
1047 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1048 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1049 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1050 C6H12 (E)-2-Hexene e2hexene  
1051 C6H12 (E)-3-methylpent-2-ene c616126  
1052 C6H12 (E)-hex-3-ene e3hexene  
1053 C6H12 (Z)-3-methylpent-2-ene c922623  
1054 C6H12 (Z)-hex-2-ene z2hexene  
1055 C6H12 (Z)-hex-3-ene z3hexene  
1056 C6H12 2,3-dimethylbut-1-ene c563780  
1057 C6H12 2,3-dimethyl-but-2-ene tmeet  
1058 C6H12 3-methylenepentane c760214  
1059 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1060 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1061 C6H12 Cyclohexane cyclohexane  
1062 C6H12 Cyclopentane, methyl- c96377  
1063 C6H12 Ethylcyclobutane c4806615  
1064 C6H12 hex-1-ene hexene1  
1065 C6H14 Butane, 2,2-dimethyl- buta22  
1066 C6H14 Butane, 2,3-dimethyl- buta23  
1067 C6H14 Hexane hexane  
1068 C6H14 Pentane, 2-methyl- penta2  
1069 C6H14 Pentane, 3-methyl- penta3  
1070 C4N2 2-Butynedinitrile c4n2  
1071 C4H2N2 Fumaronitrile c4h2n2  
1072 C2H2N4 sym-tetrazine ttz  
1073 C3H3N3 1,3,5-Triazine triazine135  
1074 CH3N5 5-Aminotetrazole c4418615  
1075 C4H4N2 1,3-Diazine diazine13  
1076 C4H4N2 Pyrazine pyrazine  
1077 C4H4N2 Pyridazine pyridazine  
1078 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1079 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1080 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1081 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1082 C5H5N E-2,4-pentadienenitrile bdcn  
1083 C5H5N Pyridine pyridine  
1084 B3N3H6 borazine borazine  
1085 C6H6 Fulvene fulvene  
1086 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1087 C5H7N (E)-2-Pentenenitrile c26294984  
1088 C5H7N (E)-3-Pentenenitrile c16529661  
1089 C5H7N (Z)-2-Pentenenitrile c25899507  
1090 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1091 C5H7N Cyclobutanecarbonitrile c4426113  
1092 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1093 C5H9N Butanenitrile, 2-methyl- c18936179  
1094 C5H9N Pentanenitrile c110598  
1095 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1096 C6H10 Bicyclo[3.1.0]hexane c285585  
1097 C5H11N Cyclopentanamine cypentam  
1098 C5H11N Piperidine piper  
1099 C4H12N2 1,2-Butanediamine c4426486  
1100 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1101 Na2CO3 Sodium Carbonate na2co3  
1102 C2O4-- oxalate anion c2o4  
1103 C2H3NO3 Oxamic acid oxamic  
1104 C4H4O2 2(5H)-Furanone furanone  
1105 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1106 C2H4N2O2 Oxalamide oxalamide  
1107 C2H4CO3 Ethylene carbonate etco3  
1108 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1109 C3H4S3 1,3-Dithiolane-2-thione c822388  
1110 C4H5NO 3-Methylisoxazole isox3m  
1111 C4H5NO Isoxazole, 5-methyl- c5765446  
1112 C4H5NS 4-Methylthiazole c693958  
1113 C2H5NO3 Nitric acid, ethyl ester c625581  
1114 C5H6O 2-methylfuran furan2m  
1115 C5H6O 3-Methylfuran furan3m  
1116 C5H6S Thiophene, 2-methyl- c554143  
1117 C5H6S Thiophene, 3-methyl- c616444  
1118 C4H6O2 2,3-Butanedione c431038  
1119 C4H6O2 2-Propenoic acid, methyl ester c96333  
1120 C4H6O2 Crotonic Acid crot  
1121 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1122 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1123 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1124 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1125 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1126 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1127 C4H6OS Vinyl sulfoxide c1115157  
1128 C2H6N2O2 (E)-Azodioxymethane c37765154  
1129 C2H6N2O2 Dimethylnitroamine c4164287  
1130 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1131 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1132 C4H7NO 2-Pyrrolidinone c616455  
1133 C4H7NO Ethoxyacetonitrile etoaccn  
1134 C4H7NO Methacrylamide c79390  
1135 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1136 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1137 C3H7ONO Propyl nitrite prono  
1138 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1139 CH3CH(NH2)COOH Alanine alanine  
1140 CH3NHCH2COOH Sarcosine sarcosine  
1141 NH2CH2CH2COOH β–alanine betaalanine  
1142 NH2COOC2H5 Urethane urethane  
1143 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1144 C5H8O Cyclopentanone c120923  
1145 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1146 C5H8O Methyl cyclopropyl ketone c765435  
1147 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1148 NH2CONHC2H5 Urea, ethyl- c625525  
1149 C4H8O2 1,3-Dioxane dioxan13  
1150 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1151 C4H8O2 1,4-Dioxane dioxan14  
1152 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1153 C4H8OS s-Ethyl thioacetate c625605  
1154 C3H8O3 1,2,3-Propanetriol glycerin  
1155 C3H8O2S (Methylsulfonyl)ethane c594434  
1156 C4H9NO Butanamide c541355  
1157 C4H9NO Propanamide, 2-methyl- c563837  
1158 C5H10O 2-Butanone, 3-methyl- c563804  
1159 C5H10O 2H-Pyran, tetrahydro- c142687  
1160 C5H10O 2-methylbutyraldehyde 2meba  
1161 C5H10O 2-Pentanone mpk  
1162 C5H10O Cyclopentanol c96413  
1163 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1164 C5H10O Pentanal pal  
1165 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1166 C5H10S 3-Ethylthio-1-propene c5296628  
1167 C5H10S Cyclopentanethiol c1679078  
1168 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1169 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1170 C4H10O2 1,1-Dimethoxyethane c534156  
1171 C4H10O2 1,3-Butanediol budiol13  
1172 C4H10O2 1,4-Butanediol budiol14  
1173 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1174 C4H10OS Diethyl sulfoxide c70291  
1175 C4H10S2 1,4-Butanedithiol budisl14  
1176 C4H11NO Diethylhydroxylamine c3710847  
1177 C5H12O 1-Butanol, 2-methyl- c137326  
1178 C5H12O 1-Butanol, 3-methyl- c123513  
1179 C5H12O 1-Pentanol pentanol1  
1180 C5H12O 2-Butanol, 3-methyl- c598754  
1181 C5H12O 2-Pentanol peol2  
1182 C5H12O 3-Pentanol pentan3ol  
1183 C5H12O Butane, 1-methoxy- meobu  
1184 C5H12O Propane, 1-ethoxy- proet  
1185 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1186 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1187 C5H12S 1-Butanethiol, 3-methyl- c541311  
1188 C5H12S 1-Pentanethiol c110667  
1189 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1190 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1191 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1192 C5H12S Butane, 1-(methylthio)- c628295  
1193 C5H12S Ethyl propyl sulfide c4110503  
1194 C5H12S Propane, 2-(ethylthio)- c5145993  
1195 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1196 CF3CN Acetonitrile, trifluoro- cf3cn  
1197 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1198 B2F4 Diboron tetrafluoride b2f4  
1199 B2Cl4 Diboron tetrachloride b2cl4  
1200 C2F4 Tetrafluoroethylene c2f4  
1201 C2F4+ Tetrafluoroethylene cation c2f4+  
1202 C2FCl3 fluorotrichloroethene c2fcl3  
1203 C2Cl4 Tetrachloroethylene c2cl4  
1204 CF3OF Trifluoromethylhypofluorite cf3of  
1205 AsF5 Arsenic pentafluoride asf5  
1206 PCl5 Phosphorus pentachloride pcl5  
1207 SF5 Sulfur pentafluoride sf5  
1208 SbCl5 Antimony pentachloride sbcl5  
1209 BrF5 bromine pentafluoride brf5  
1210 ClF5 chlorinepentafluoride clf5  
1211 IF5 pentafluoroiodine if5  
1212 CF3CHO trifluoroacetaldehyde cf3cho  
1213 CCl3CHO trichloroacetaldehyde ccl3cho  
1214 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1215 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1216 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1217 CF3COOH trifluoroacetic acid cf3cooh  
1218 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1219 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1220 C4H8Cl2 1,4-Dichlorobutane c110565  
1221 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1222 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1223 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1224 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1225 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1226 C5H11Cl Pentane, 1-chloro- pencl1  
1227 C6H5CH2 benzyl radical benzyl  
1228 C6H5CH3 toluene toluene  
1229 C7H8 cycloheptatriene cht  
1230 C7H8 Norbornadiene norbor  
1231 C7H12 Norbornane nor  
1232 C7H14 cycloheptane c7h14  
1233 C7H16 2-methylhexane 2mhex  
1234 C7H16 3-methylhexane hex3m  
1235 C7H16 heptane heptane  
1236 C6H7N 2-Methylpyridine mp  
1237 C6H5NH2 aniline aniline  
1238 C6H13N 2-Methylpiperidine pip2m  
1239 C6H13N cyclohexanamine cham  
1240 C6H15N triethylamine tea  
1241 N2O5 Dinitrogen pentoxide n2o5  
1242 C4H2O3 Maleic Anhydride malan  
1243 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1244 C6H5O phenoxy radical phenoxy  
1245 C5H5NO 2(1H)-Pyridinone c72762006  
1246 C5H5NO 2(3H)-Pyridinone c9000048  
1247 C5H5NO 2(5H)-Pyridinone c9000037  
1248 C5H5NO 2-Pyridinol c109104  
1249 C5H5NO 3(2H)-Pyridinone c9000004  
1250 C5H5NO 3(4H)-Pyridinone c9000026  
1251 C5H5NO 3(6H)-Pyridinone c9000015  
1252 C5H5NO 3-Pyridinol c109002  
1253 C5H5NO 4(1H)-Pryidinone c9000060  
1254 C5H5NO 4(3H)-Pryidinone c9000059  
1255 C5H5NO 4-Pyridinol c626642  
1256 C6H5OH phenol phenol  
1257 C6H6O 2,4-Cyclohexadienone c24599573  
1258 C6H6O 2,5-Cyclohexadienone c5664335  
1259 C6H5SH Benzenethiol phsh  
1260 HO2CCHNH2CH2OH Serine serine  
1261 C5H8O2 Acetylacetone acac  
1262 C4H8O2S Sulfolane sulfolane  
1263 CH(C2H3)3 trivinyl methane tvm  
1264 C6H10O cyclohexanone chexo  
1265 C6H12O hexanal c6h12o  
1266 C3H7OC3H7 di-n-propyl ether propr  
1267 CF3COCl trifluoroacetyl chloride cf3cocl  
1268 PF6- Hexafluorophosphate ion pf6-  
1269 SeF6 Selenium hexafluoride sef6  
1270 SF5Cl sulfur chloropentafluoride sf5cl  
1271 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1272 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1273 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1274 CCl3CHCl2 pentachloroethane ccl3chcl2  
1275 C6H5F Fluorobenzene bzf  
1276 C6H5Cl chlorobenzene bzcl  
1277 C6H5Br bromobenzene bzbr  
1278 C8H6 Calicene calicene  
1279 C6H5CCH phenylacetylene phac  
1280 C8H6 benzocyclobutadiene bcbd  
1281 C8H6 Pentalene pentalene  
1282 C6H5CHCH2 Styrene styrene  
1283 C8H8 cyclooctatetraene cot  
1284 C6H5CH2CH3 Ethylbenzene etbz  
1285 CH3C6H4CH3 meta-xylene mxylene  
1286 CH3C6H4CH3 paraxylene pxylene  
1287 C8H14 Bicyclo[2.2.2]octane bico222  
1288 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1289 C8H18 Octane c8h18  
1290 C6H5CN phenyl cyanide phcn  
1291 C6H12N2 Triethylenediamine ted  
1292 C4O4-- squarate dianion c4o4--  
1293 S8 Octasulfur s8  
1294 C6H4O2 parabenzoquinone pbq  
1295 C4H4N2O2 Uracil uracil  
1296 C6H5OCH3 Anisole anisole  
1297 C5H9NO2 Proline proline  
1298 C6H12O2 Methyl pivalate c598981  
1299 C6H12O2 Hexanoic acid hexa  
1300 C4F4 tetrafluorcyclobutadiene c4f4  
1301 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1302 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1303 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1304 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1305 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1306 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1307 C2F6 hexafluoroethane c2f6  
1308 IF7 Iodine heptafluoride if7  
1309 C6H4F2 metadifluorobenzene mdfb  
1310 C6H4F2 orthodifluorobenzene odfb  
1311 C6H4Cl2 1,3-dichlorobenzene dcb13  
1312 C9H8 Indene indene  
1313 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1314 C9H12 n-propyl benzene prbz  
1315 C(CN)4 tetracyanomethane c5n4  
1316 C5H4N4 purine purine  
1317 C8H7N Indole indole  
1318 C3H3N3O3 cyanuric acid cyanuric  
1319 C6H5NO2 Nitrobenzene c6h5no2  
1320 C6H5COOH benzoic acid benzo  
1321 CH3COC6H5 acetophenone acph  
1322 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1323 C6H3F3 Benzene trifluoride 123 bzf3a  
1324 C10H8 Azulene azu  
1325 C10H16 adamantane adamantane  
1326 C6N4 Tetracyanoethylene tcne  
1327 C6N4- tetracyanoethylene anion tcne-  
1328 C10H22 Decane decane  
1329 C4F6 perfluorobutadiene c4f6  
1330 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1331 C3F8 perfluoropropane c3f8  
1332 Fe(CO)5 Iron pentacarbonyl ipc  
1333 Fe(C5H5)2 ferrocene fecp2  
1334 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1335 C12H8 Acenaphthylene acenaph  
1336 C12H10 Heptalene heptalene  
1337 C6H12O6 Inositol inositol  
1338 C6F6 hexafluorobenzene c6f6  
1339 C14H10 Anthracene anth  
1340 C14H10 Phenanthrene phenanthrene  
1341 C12H10N2 azobenzene azobenzene  
1342 C16H10 Pyrene pyrene  
1343 C18H12 Tetracene tetracene  
1344 C24H12 Coronene coronene  
1345 C60 Buckminsterfullerene c60