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List of which calculations are completed at B2PLYP=FULL /STO-3G

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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 He+ Helium atom cation 2SKh
7 HeH+ Helium hydride cation 1ΣC∞v
8 Li- Lithium atom anion 1SKh
9 LiH+ lithium hydride cation 2ΣC∞v
10 KH Potassium hydride 1ΣC∞v
11 BeH beryllium monohydride 2ΣC∞v
12 MgH magnesium monohydride 2ΣC∞v
13 TiH Titanium monohydride 4ΦC∞v
14 ZnH+ Zinc, protonated   
15 BeH2+ Beryllium dihydride cation   
16 MgH2 magnesium dihydride 1ΣgD∞h
17 Al Aluminum atom 2PKh
18 Al- Aluminum atom anion 3PKh
19 Al+ Aluminum atom cation 1SKh
20 Sc Scandium atom 2DKh
21 Sc+ Scandium cation 3DKh
22 Ga Gallium atom 2P 
23 Ga- Gallium atom anion 3POh
24 Ga+ Gallium atom cation 1S 
25 BH Boron monohydride 1ΣC∞v
26 BH Boron monohydride 3ΠC∞v
27 ScH Scandium monohydride 1ΣC∞v
28 ScH+ Scandium monohydride cation 2ΣC∞v
29 GaH Gallium monohydride 1ΣC∞v
30 GaH+ Gallium monohydride cation 2ΣC∞v
31 BH3+ boron trihydride cation 2B2C2v
32 BH3+ boron trihydride cation  C2v
33 AlH3 aluminum trihydride 1A1'D3h
34 AlH3- aluminum trihydride anion  C3v
35 ScH3 Scandium trihydride 1A1'D3h
36 ScH3 Scandium trihydride 1A1C3v
37 BH4 borohydride 2B2C2v
38 BH4- borohydride anion 1A1Td
39 C Carbon atom 3P0Kh
40 C- Carbon atom anion 2DKh
41 Si Silicon atom 3PKh
42 Si Silicon atom 1SKh
43 Si- Silicon atom anion 4SKh
44 Ge Germanium atom 3PKh
45 Ge- Germanium anion 4SKh
46 Ge+ Germanium cation 2PKh
47 Sn Tin atom   
48 Sn+ Tin cation   
49 CH Methylidyne 2Π1/2C∞v
50 SiH Silylidyne 2ΠC∞v
51 SiH+ silicon monohydride cation 1ΣC∞v
52 GeH germylidene 2ΠC∞v
53 GeH+ Germaniun monohyrdide cation 1ΣC∞v
54 CH2 Methylene 3B1C2v
55 CH2 Methylene 3ΣGD∞h
56 CH2 Methylene 1A1C2v
57 CH2- methylene anion 2B1C2v
58 CH2+ methylene cation 2A1C2v
59 CH2+ methylene cation 2ΠD∞h
60 GeH2 germylene 1A1C2v
61 CH3 Methyl radical 2A1D3h
62 CH3- methyl anion 1A1C3v
63 CH3+ methyl cation 1A1'D3h
64 SiH3 Silyl radical 2A1C3v
65 SiH3+ Silyl cation 1A1'D3h
66 GeH3 Germyl radical 2A1C3v
67 GeH3+ germyl cation 1A1'D3h
68 CH4 Methane 1A1Td
69 CH4- Methane anion 2A1Td
70 CH4- Methane anion 2A1C3v
71 SiH2D2 silane-d2   
72 SiH4 Silane 1A1Td
73 GeH4 Germane 1A1Td
74 SnH4 Stannane   
75 SiH5+ Silane, protonated   
76 N Nitrogen atom 4SKh
77 P Phosphorus atom 4SKh
78 V Vanadium atom 4FKh
79 V+ Vanadium atom cation 5DKh
80 As Arsenic atomic 4SKh
81 As- Arsenic anion 3PKh
82 As+ Arsenic cation 3PKh
83 Sb Antimony atom   
84 PH phosphorus monohydride 3Σ-C∞v
85 AsH Arsenic monohydride 3ΣC∞v
86 SbH Antimony monohydride   
87 NH2 Amino radical 2B1C2v
88 NH2+ Amino cation 3B1C2v
89 NH2+ Amino cation 1A1C2v
90 NH3 Ammonia 1A1C3v
91 NH3- Ammonia anion 2A1C3v
92 NH3+ ammonia cation 2A2"D3h
93 PH3 Phosphine 1A1C3v
94 PH3+ Phosphine cation 2A1C3v
95 AsH3 Arsine 1A1C3v
96 AsH3+ Arsine cation 2A1C3v
97 SbH3 Stibine   
98 AsH4+ Arsonium   
99 NH4 Ammonium radical   
100 NH4+ ammonium cation 1A1Td
101 PH4 Phosphoranyl radical   
102 PH4+ phosphonium cation   
103 O Oxygen atom 3SKh
104 S Sulfur atom 3PKh
105 S Sulfur atom   
106 S- Sulfur atom anion 2PKh
107 S+ Sulfur atom cation 4SKh
108 Se Selenium atom 3PKh
109 Se- Selenium atom anion 2PKh
110 Se+ Selenium atom cation 4SKh
111 Te Tellurium atom   
112 Te+ Tellurium atom cation   
113 OH Hydroxyl radical 2ΠC∞v
114 OH- hydroxide anion 1ΣC∞v
115 OH+ hydoxyl cation 3ΣC∞v
116 HS Mercapto radical 2ΠC∞v
117 HS- mercapto anion 1ΣC∞v
118 HS+ sulfur monohydride cation 3ΣC∞v
119 CrH Chromium hydride 6ΣC∞v
120 CrH+ Chromium hydride cation 5ΣC∞v
121 HSe Selenium monohydride 2ΠC∞v
122 HSe- selenium monohydride anion 1ΣC∞v
123 HSe+ selenium monohydride cation 3ΣC∞v
124 TeH Telluryl radical   
125 H2O Water 1A1C2v
126 H2O- water anion 2A1C2v
127 H2O- water anion 2A'Cs
128 H2O+ water cation 2B1C2v
129 HDO Water-d1 1A1C2v
130 H2S Hydrogen sulfide 1A1C2v
131 H2S+ Hydrogen sulfide cation 2B1C2v
132 H2Se Hydrogen selenide 1A1C2v
133 H2Se+ Hydrogen selenide cation 2B1C2v
134 H2Te Hydrogen Telluride   
135 H3O+ hydronium cation 1A1C3v
136 H3S+ Sulfonium cation 1A1C3v
137 H3Se+ Hydrogen Selenide, protonated 1A1C3v
138 F Fluorine atom 2PKh
139 F- Fluorine atom anion 1SKh
140 F+ Fluorine atom cation 3SKh
141 F+ Fluorine atom cation 1DKh
142 Cl Chlorine atom 2PKh
143 Cl- Chlorine atom anion 1SKh
144 Cl+ Chlorine atom cation 3PKh
145 Cl+ Chlorine atom cation 1DKh
146 Br Bromine atom 2PKh
147 Br- Bromine atom anion 1SKh
148 Br+ Bromine atom cation 3PKh
149 I- Iodine atom anion 1SKh
150 I+ Iodine atom cation 3PKh
151 HF Hydrogen fluoride 1ΣC∞v
152 HF- hydrogen fluoride anion 2ΣC∞v
153 HF+ hydrogen fluoride cation 2ΠC∞v
154 HCl Hydrogen chloride 1ΣC∞v
155 HCl- hydrogen chloride anion 2ΣC∞v
156 HCl+ hydrogen chloride cation 2ΠC∞v
157 HBr hydrogen bromide 1ΣC∞v
158 HBr- hydrogen bromide anion 2ΣC∞v
159 HBr+ hydrogen bromide cation 2ΠC∞v
160 H2Cl+ dihydrogen monochloride cation 1A1C2v
161 H2Br+ protonated hydrogen bromide 2A1C2v
162 Ne Neon atom 1SKh
163 Kr Krypton atom 1SKh
164 Kr+ Krypton cation 2PKh
165 Xe Xenon atom 1SKh
166 HeLi+ Helium Lithium cation   
167 NeH neon hydrogen 2ΣC∞v
168 ArH+ Argon hydride cation 1ΣC∞v
169 KrH+ Protonated Krypton 1ΣC∞v
170 XeH+ Xenon, protonated 1ΣC∞v
171 H2Ar H2 Ar dimer 1ΣC∞v
172 NaLi lithium sodium 1ΣC∞v
173 Na2 Sodium diatomic 1ΣgD∞h
174 Na2- sodium diatomic anion 2ΣuD∞h
175 Na2+ sodium diatomic cation 2ΣgD∞h
176 NaK+ Sodium Potassium diatomic cation 1
177 Be2 Beryllium diatomic 1ΣgD∞h
178 BeMg Beryllium Magnesium 1ΣC∞v
179 LiB Lithium boride 3ΠC∞v
180 LiAl Lithium Aluminum   
181 NaAl Sodium aluminum 1ΣC∞v
182 BeB Beryllium monoboride 2ΠC∞v
183 B2 Boron diatomic 3ΣgD∞h
184 B2 Boron diatomic 1ΣgD∞h
185 B2 Boron diatomic 5ΣuD∞h
186 B2+ Boron diatomic cation 2ΠD∞h
187 BAl Boron Aluminum 3ΣC∞v
188 BGa Boron Gallium 3ΣC∞v
189 AlGa Aluminum Gallium 3ΣC∞v
190 AlGa Aluminum Gallium 1ΣC∞v
191 Ga2 Gallium diatomic 3Piu 
192 HBBH Diborane(2) 3ΣGD∞h
193 B2H4 Diborane(4) D2d 1A1D2d
194 HBHHBH Diborane(4) C2V 1A1C2v
195 B2H6 Diborane 1AgD2h
196 B2H6+ Diborane cation   
197 Al2H6 dialane 1AGD2h
198 Ga2H6 digallane 1AGD2h
199 BeC Beryllium Carbide 3Σ-C∞v
200 BeC Beryllium Carbide   
201 CaC Calcium monocarbide   
202 AlC Aluminum carbide 4ΣC∞v
203 BSi Boron silicide 4ΣC∞v
204 BSi Boron silicide 2ΣC∞v
205 C2 Carbon diatomic 1Σg+D∞h
206 C2 Carbon diatomic 3Σg- 
207 C2+ carbon diatomic cation 4ΣgD∞h
208 SiC silicon monocarbide 3ΣC∞v
209 SiC silicon monocarbide 1ΣC∞v
210 GeC Germanium monocarbide 1ΣC∞v
211 SiGe Silicon Germanium   
212 C2H Ethynyl radical 2ΣC∞v
213 C2H- Ethynyl anion 1ΣC∞v
214 C2H2 Acetylene 1ΣgD∞h
215 C2H2+ acetylene cation 2ΠuD∞h
216 C2H2+ acetylene cation   
217 H2CC- vinylidene anion   
218 HCCH- acetylene anion   
219 HCCH- acetylene anion   
220 Si2H2 disilyne   
221 Si2H2 disilyne   
222 Si2H2 disilyne   
223 Si2H2 disilyne   
224 CH3Li methyl lithium 1A1C3v
225 CH2BH methyleneborane 1A1C2v
226 C2H3 vinyl 2A'Cs
227 C2H3- vinyl anion 1A'Cs
228 C2H3+ vinyl cation 1A1C2V bridging H
229 C2H3+ vinyl cation 1A1C2V HCCH2
230 C2H4 Ethylene 1AgD2h
231 C2H4- Ethylene anion 2AgC2h
232 C2H4+ Ethylene cation 2B3D2
233 Si2H4 Disilene   
234 Si2H4 Disilene   
235 Si2H4 Disilene   
236 CH3BH2 methylborane 1A'Cs
237 C2H5 Ethyl radical 2A'Cs
238 C2H6 Ethane 1A1gD3d
239 Si2H6 disilane 1EuD3d
240 LiN Lithium Nitride 3ΣC∞v
241 LiP Lithium monophosphide   
242 LiP Lithium monophosphide   
243 BeN+ Beryllium mononitride cation 3ΣC∞v
244 BeN+ Beryllium mononitride cation 1ΣC∞v
245 MgN Magnesium Nitride   
246 MgN Magnesium Nitride   
247 BP Boron monophosphide 3ΠC∞v
248 BP Boron monophosphide 1ΣC∞v
249 AlP Aluminum monophosphide 3ΣC∞v
250 AlP Aluminum monophosphide 3ΠC∞v
251 AlP Aluminum monophosphide 1ΣC∞v
252 GaP Gallium monophosphide 3ΣC∞v
253 GaP Gallium monophosphide 1ΣC∞v
254 GaAs Gallium arsenide 3Π 
255 GaAs Gallium arsenide 1Σ 
256 BN boron nitride 3ΠC∞v
257 BN boron nitride 1ΣC∞v
258 CN Cyano radical 2ΣC∞v
259 CN- cyanide anion 1ΣC∞v
260 SiP Silicon monophosphide 2ΠC∞v
261 N2 Nitrogen diatomic 1ΣgD∞h
262 N2 Nitrogen diatomic   
263 N2- nitrogen diatomic anion 2ΠgD∞h
264 N2+ diatomic nitrogen cation 2ΣgD∞h
265 PN Phosphorus mononitride 1ΣC∞v
266 P2 Phosphorus diatomic 1ΣgD∞h
267 HCN Hydrogen cyanide 1ΣC∞v
268 HCN+ hydrogen cyanide cation 2ΠC∞v
269 HNC+ hydrogen isocyanide cation   
270 HCP+ Phosphaethyne cation   
271 NNH+ Dinitrogen monohydride cation 1ΣC∞v
272 LiNH2 lithium amide   
273 HBNH Boranimine 1ΣC∞v
274 H2NN Isodiazene   
275 N2H2 (E)-diazene 1AgC2h
276 N2H2 (Z)-Diazene 1A1C2v
277 N2H2+ trans-diazene cation 2AGC2h
278 CH2NH Methanimine 1A'Cs
279 CH2NH+ Methanimine cation   
280 CHNH2 aminomethylene   
281 CHNH2+ Aminocarbene cation   
282 CH2PH Phosphaethene 1A'Cs
283 BH2NH2 Boranamine   
284 CH2NH2+ methyleneamine cation 1A1C2v
285 N2H4 Hydrazine 1AC2
286 N2H4+ hydrazine cation 2AGC2h
287 CH3NH2 methyl amine 1A'Cs
288 CH3NH2+ methyl amine cation 2A'Cs
289 SiH3NH2 Silane, amino   
290 N2H5+ protonated hydrazine 1A'Cs
291 BH3PH3 borane phosphine   
292 BH3NH3 borane ammonia 1A1C3v
293 CH3NH3 methyl ammonium radical 2A1C3v
294 CH3PH3+ methyl phosphine, protonated 1A1C3v
295 NH3NH3 Ammonia Dimer 1AgC2h
296 NH3NH3 Ammonia Dimer 1A'Cs
297 N2H7+ ammonia ammonium dimer   
298 LiO lithium oxide 2ΣC∞v
299 LiS Lithium monosulfide 2ΠC∞v
300 LiS+ Lithium sulfide cation 3ΣC∞v
301 NaO sodium monoxide 2ΣC∞v
302 KO Potassium monoxide 2ΣC∞v
303 KO+ Potassium monoxide cation 3ΣC∞v
304 NaS Sodium sulfide 2ΠC∞v
305 LiSe Lithium monoselenide   
306 CaO Calcium monoxide 1ΣC∞v
307 CaS Calcium sulfide 1ΣC∞v
308 BO boron monoxide 2ΣC∞v
309 ScO Scandium monoxide 2ΣC∞v
310 GaO Gallium monoxide 2ΣC∞v
311 GaS Gallium monosulfide   
312 CO Carbon monoxide 1ΣC∞v
313 CO- carbon monoxide anion 2ΠC∞v
314 CO+ carbon monoxide cation 2ΣC∞v
315 SiO Silicon monoxide 1ΣC∞v
316 SiS silicon monosulfide 1ΣC∞v
317 TiO Titanium monoxide 3ΔC∞v
318 CSe Carbon monoselenide 1ΣC∞v
319 GeO Germanium monoxide 1ΣC∞v
320 GeO+ Germanium monoxide cation 2ΣC∞v
321 GeS Germanium monosulfide 1ΣC∞v
322 SiSe Silicon Monoselenide   
323 SiSe+ Silicon Monoselenide cation   
324 GeSe Germanium monoselenide   
325 NO Nitric oxide 2ΠC∞v
326 NO- nitric oxide anion 3ΣC∞v
327 NO+ nitric oxide cation 1ΣC∞v
328 NS Mononitrogen monosulfide 2ΠC∞v
329 PO Phosphorus monoxide 2ΠC∞v
330 PS phosphorus sulfide 2ΣC∞v
331 VO Vanadium monoxide 4Σ- 
332 NSe Nitrogen monoselenide 2ΠC∞v
333 AsS Arsenic monosulfide 2ΠC∞v
334 PSe Phosphorus monoselenide 2ΠC∞v
335 AsSe Arsenic monoselenide 2ΠC∞v
336 O2 Oxygen diatomic 3ΣgD∞h
337 O2- oxygen diatomic anion 2ΠD∞h
338 O2-- dioxygen dianion   
339 O2+ diatomic oxygen cation 2ΠgD∞h
340 SO Sulfur monoxide 3ΣC∞v
341 SO Sulfur monoxide 1ΣC∞v
342 SO+ sulfur monoxide cation 2ΠC∞v
343 S2 Sulfur diatomic 3ΣgD∞h
344 SeO Selenium monoxide 3ΣC∞v
345 TeO Tellurium monoxide   
346 Se2 Selenium diatomic 3ΣgD∞h
347 Te2 Tellurium diatomic   
348 LiOH lithium hydroxide 1ΣC∞v
349 KOH Potassium hydroxide 1ΣC∞v
350 BeOH beryllium monohydroxide 2A'Cs
351 BeOH beryllium monohydroxide 2ΣC∞v
352 HBO Boron hydride oxide 1ΣC∞v
353 HBS hydrogen boron sulfide 1ΣC∞v
354 COH Hydroxymethylidyne   
355 COH+ Carbon Monoxide, protonated 1ΣC∞v
356 HCO Formyl radical 2A'Cs
357 HCO- formyl anion 1A'Cs
358 HCO+ Formyl cation 1ΣC∞v
359 HNO Nitrosyl hydride 1A'Cs
360 HNO+ Nitrosyl hydride cation 2A'Cs
361 NOH Hydroxyimidogen 3A"Cs
362 NOH+ O-protonated nitric oxide 2A'Cs
363 HO2 Hydroperoxy radical 2A"Cs
364 HO2+ Hydroperoxy cation 3A"Cs
365 HSO+ Sulfur Monoxide, S-protonated   
366 SOH Sulfur Hydroxide   
367 SOH+ Sulfur Monoxide, protonated   
368 H2CO Formaldehyde 1A1C2v
369 H2CO- formaldehyde anion 2A'Cs
370 H2CO- formaldehyde anion   
371 H2CO+ formaldehyde cation 2B2C2v
372 H2CS Thioformaldehyde 1A1C2v
373 H2CS- thioformaldehyde anion   
374 H2CS- thioformaldehyde anion   
375 H2CS+ thioformaldehyde cation 2B2C2v
376 H2CSe Selenoformaldehyde   
377 H2NO nitroxide 2B1C2v
378 H2NO nitroxide 2A'Cs
379 H2O2 Hydrogen peroxide 1AC2
380 H2O2 Hydrogen peroxide 1AgC2h
381 H2OO water oxide   
382 HOSH hydrogen thioperoxide   
383 H2S2 Disulfane 1AC2
384 H2S2+ hydrogen disulfide cation 2BgC2h
385 H2Se2 hydrogen diselenide   
386 CH2OH Hydroxymethyl radical 2AC1
387 CH2OH+ hydroxymethyl cation 1A'Cs
388 CH3O- methoxy anion 1A1C3v
389 CH3O+ Methoxy cation 3A1C3v
390 H2CSH+ Thioformaldehyde, protonated 1A'Cs
391 NH2OH hydroxylamine 1A'Cs
392 NH2OH+ Hydroxylamine cation   
393 NH2SH Thiohydroxylamine   
394 NH2SH Thiohydroxylamine   
395 NH3S sulfidoazane   
396 CH3OH Methyl alcohol 1A'Cs
397 CH3OH- Methyl alcohol anion 2A'Cs
398 CH3OH- Methyl alcohol anion 2A'CS eclipsed
399 CH3OH+ Methyl alcohol cation 2A"Cs
400 CH3SH Methanethiol 1A'Cs
401 CH3SH+ Methanethiol cation 2A"Cs
402 SiH3OH silanol   
403 NH2OH2+ protonated hydroxylamine   
404 NH3OH+ N-protonated hydroxylamine   
405 H2OH2O water dimer 1A'Cs
406 CH3SH2+ protonated methylsulfide 1A'Cs
407 H5O2+ Dihydroxonium ion 1AC2
408 LiF lithium fluoride 1ΣC∞v
409 LiCl lithium chloride 1ΣC∞v
410 NaF sodium fluoride 1ΣC∞v
411 NaF+ sodium fluoride cation 2ΣC∞v
412 NaCl Sodium Chloride 1ΣC∞v
413 LiBr Lithium Bromide 1ΣC∞v
414 LiI Lithium Iodide   
415 NaI Sodium Iodide   
416 LiF+ lithium fluoride cation 2ΠC∞v
417 MgF+ magnesium fluoride cation 1ΣC∞v
418 TiCl Titanium Monochloride 4ΣC∞v
419 ZnF Zinc monofluoride 2ΣC∞v
420 CaBr Calcium monobromide   
421 BF Boron monofluoride 1ΣC∞v
422 AlF Aluminum monofluoride 1Σ+C∞v
423 AlCl Aluminum monochloride 1ΣC∞v
424 ScF Scandium monofluoride 1ΣC∞v
425 GaF Gallium monofluoride 1ΣC∞v
426 GaF+ Gallium monofluoride cation 2ΣC∞v
427 AlBr Aluminum monobromide   
428 GaCl Gallium monochloride 1ΣGC∞v
429 GaCl+ Gallium monochloride cation 2ΣC∞v
430 AlI Aluminum monoiodide   
431 GaBr Gallium monobromide   
432 CF Fluoromethylidyne 2ΠC∞v
433 SiF silicon monofluoride 2ΠC∞v
434 SiF+ silicon monofluoride cation 1ΣC∞v
435 SiCl Clorosilylidyne 2ΠC∞v
436 CBr Carbon monobromide 2ΠC∞v
437 GeF Germanium monofluoride 2ΠC∞v
438 GeF+ Germanium monofluoride cation 1ΣC∞v
439 GeCl Germanium monochloride 2ΠC∞v
440 GeCl+ Germanium monochloride cation   
441 SiBr Silicon monobromide 2ΠC∞v
442 SiBr+ Silicon monobromide cation   
443 NCl nitrogen monochloride 3ΣC∞v
444 AsF Arsenic monofluoride 3ΣC∞v
445 AsCl Arsenic monochloride 3ΣC∞v
446 PBr Phosphorus monobromide   
447 FO Oxygen monofluoride 2ΠC∞v
448 ClO Monochlorine monoxide 2ΠC∞v
449 ClO+ chlorine monoxide cation 3ΣC∞v
450 SF Monosulfur monofluoride 2ΠC∞v
451 SF+ sulfur monofluoride cation 3ΣC∞v
452 SCl sulfur monochloride 2ΠC∞v
453 SCl+ sulfur monochloride cation 3ΣgC∞v
454 BrO Bromine monoxide 2ΠC∞v
455 BrO+ Bromine monoxide cation   
456 SeF Selenium monofluoride 2ΠC∞v
457 SBr Sulfur monobromide radical   
458 SBr+ Sulfur monobromide cation   
459 SeCl Selenium monochloride 2ΠC∞v
460 IO Iodine monoxide   
461 SeBr Selenium monobromide   
462 BrCl Bromine monochloride 1ΣC∞v
463 F2 Fluorine diatomic 1ΣgD∞h
464 F2- flourine diatomic anion 2ΣuD∞h
465 F2+ flourine diatomic cation 2ΠgD∞h
466 ClF Chlorine monofluoride 1Σ+C∞v
467 ClF+ clorine monofluoride cation 2ΠC∞v
468 Cl2 Chlorine diatomic 1ΣgD∞h
469 Cl2- chlorine diatomic anion 2ΣuD∞h
470 Cl2+ chlorine diatomic cation 2ΠgD∞h
471 BrF Bromine monofluoride 1ΣC∞v
472 Br2 Bromine diatomic 1ΣgD∞h
473 Br2- bromine diatomic anion 2ΣuD∞h
474 Br2+ bromine diatomic cation 2ΠgD∞h
475 I2+ Iodine diatomic cation 2ΠgD∞v
476 HCF Fluoromethylene 1A'Cs
477 HCF Fluoromethylene 3A"Cs
478 HSiF fluorosilylene   
479 HSiCl Chlorosilylene   
480 HSiBr monobromosilylene   
481 HOF Hypofluorous acid 1A'Cs
482 HOCl hypochlorous acid 1A'Cs
483 HOCl+ hypochlorous acid cation   
484 HOBr Hypobromous acid 1A'Cs
485 HOI Hypoiodous acid   
486 F2H+ Fluorine, protonated 1A'Cs
487 ClFH+ Chlorine fluoride, F-protonated   
488 FClH+ Chlorine fluoride, Cl-protonated   
489 Cl2H+ Chlorine, protonated 1A'Cs
490 CH2Br bromomethyl radical   
491 CH2F fluoromethyl radical 2ACs
492 CH2F+ fluoromethyl cation   
493 CH2Cl+ chloromethyl cation   
494 CH2Cl chloromethyl radical 2A'Cs
495 CH2Cl chloromethyl radical 2B1C2v
496 NH2Cl chloramine 1A'Cs
497 CH3F+ methyl fluoride cation   
498 CD3F methylfluoride-d3 1A1C3v
499 CH3F Methyl fluoride 1A1C3v
500 CH3Cl Methyl chloride 1A1C3v
501 CH3Cl+ Methyl chloride cation   
502 SiH3F monofluorosilane 1A1C3v
503 SiH3Cl chlorosilane 1A1C1
504 CH3Br methyl bromide 1A1C3v
505 GeH3F monofluorogermane   
506 GeH3Cl monochlorogermane   
507 SiH3Br bromosilane 1A1C3v
508 SiH3I Silyl Iodide   
509 NH3Cl+ protonated monochloroammonia   
510 CH3ClH+ methyl chloride, protonated   
511 NH4Cl Ammonium chloride   
512 LiNe+ Lithium Neon cation   
513 Ne2+ Neon diatomic cation 2ΣuD∞h
514 Ar2 Argon diatomic 1SgD∞h
515 Ar2+ Argon diatomic cation 2ΣuD∞h
516 Li3 Lithium trimer 2B2C2v
517 Li3+ Lithium trimer cation 1A1'D3h
518 C3 carbon trimer 1ΣgD∞h
519 C3 carbon trimer 1A1C2v
520 SiC2 Silicon dicarbide   
521 C3H3 cyclopropenyl radical 2A'Cs
522 C3H4 cyclopropene 1A1C2v
523 CH2CCH2 allene 1A1D2d
524 CH3CCH propyne 1A'C3v
525 C3H5 Allyl radical 2A2C2v
526 C3H5 Allyl radical 2A"Cs
527 C3H6 Cyclopropane 1A1'D3h
528 CH2CHCH3 Propene 1A'Cs
529 C3H7 n-Propyl radical 2A"C1
530 C3H7+ cyclopropane, protonated   
531 CH3CHCH3 Isopropyl radical 2AC2
532 CH3CHCH3+ Isopropyl cation 1AC2
533 C3H8 Propane 1A1C2v
534 Si3H8 trisilane   
535 LiCN lithium cyanide 1ΣC*V LiCN
536 LiCN lithium cyanide 1A'Cs
537 LiCN lithium cyanide 1ΣC*V LiNC
538 NaCN Sodium Cyanide 1ΣC∞v
539 NaCN Sodium Cyanide 1ACs
540 NaCN Sodium Cyanide 1ΣC∞v
541 KCN Potassium cyanide 1ΣC∞v
542 KCN Potassium cyanide 1ΣC∞v
543 KCN Potassium cyanide 1A'Cs
544 ZnCN Zinc monocyanide 2ΣC∞v
545 ZnNC Zinc isocyanide 2ΣC∞v
546 AlCN Aluminum monocyanide   
547 AlNC Aluminum isocyanide   
548 CNN Diazocarbene   
549 N3 azide radical 2ΠgD∞h
550 N3+ azide cation 3ΣgD∞h
551 N3+ azide cation 3ΣC∞v
552 HCCN cyanomethylene 3A"Cs
553 HCCN cyanomethylene 3ΣC∞v
554 HCCN cyanomethylene   
555 HN3 hydrogen azide 1A'Cs
556 HN3+ Hydrazoic acid cation   
557 HNCNH diiminomethane 1AC2
558 NH2CN cyanamide 1A1C2v
559 HNNNH+ 1,2-Triazadienium   
560 NH2NN+ hydrazoic acid, protonated   
561 CH3CN Acetonitrile 1A1C3v
562 CH3CN- acetonitrile anion 2EC3v
563 CH3CN- acetonitrile anion 2A'Cs
564 CHNCH2 2H-Azirine   
565 CHNHCH 1H-Azirine   
566 H2CCNH Ethenimine   
567 H2CNCH methyleneaminomethylene   
568 HCCNH2 Ethynamine   
569 HCNCH2+ 2H-Azirine cation   
570 HNCNH2+ diiminomethane, protonated 1A'Cs
571 NCNH3+ Cyanamide, protonated 1A1C3v
572 NH2CNH+ cyanamide, cn protonated   
573 NH3CN+ cyanamide, amine protonated   
574 CH2CHNH vinylazine 2A"CS cis
575 CH2CHNH vinylazine 2A"CS trans
576 C2H5NH+ Protonated Aziridine 1A1C2v
577 C2H6N+ aziridine, protonated 1A1C2v
578 CH3CH2NH2 Ethylamine   
579 CH3PHCH3 dimethylphosphine 1A'Cs
580 (CH3)2NH2+ dimethylammonium cation 1A1C2v
581 CH3CH2NH3+ ethylamine, protonated 1A'Cs
582 Li2O dilithium oxide 1ΣgD∞h
583 Li2S dilithium sulfide 1ΣGD∞h
584 Li2S dilithium sulfide 1A1C2v
585 Na2O disodium monoxide 1ΣgLinear
586 Na2O disodium monoxide 1A1C2v
587 Na2S Sodium sulfide   
588 Na2S Sodium sulfide   
589 LiO2 Lithium dioxide   
590 NaO2 Sodium superoxide   
591 CCO Dicarbon monoxide 3ΣC∞v
592 CCO Dicarbon monoxide 1ΠC∞v
593 NCO isocyanato radical 2ΠC∞v
594 N2O Nitrous oxide 1ΣC∞v
595 N2O- Nitrous oxide anion 2A'Cs
596 CO2 Carbon dioxide 1ΣgD∞h
597 OCS Carbonyl sulfide 1ΣC∞v
598 CS2 Carbon disulfide 1ΣgD∞h
599 CS2- Carbon disulfide anion 2A1C2v
600 TiO2 Titanium dioxide 1A1C2v
601 SiS2 Silicon disulfide 1ΣGD∞h
602 GeO2 Germanium dioxide 1ΣgD∞h
603 OCSe Carbonyl selenide 1ΣC∞v
604 SCSe Carbon sulfide selenide   
605 CSe2 Carbon diselenide 1A1D∞h
606 SCTe Carbon sulfide Telluride   
607 NO2 Nitrogen dioxide 2A1C2v
608 NO2+ Nitrogen dioxide cation 1ΣGD∞h
609 NSO sulfinyl amidogen   
610 SNO Nitrogen oxide sulfide   
611 O3 Ozone 1A1Cs
612 SO2 Sulfur dioxide 1A1C2v
613 SSO Disulfur monoxide 1A'Cs
614 S3 Sulfur trimer 1A1C2v
615 S3 Sulfur trimer   
616 S3+ Sulfur trimer cation 2B2C2v
617 SeO2 Selenium dioxide 1A1C2v
618 SeO2+ Selenium dioxide cation 2A1C2v
619 TeO2 Tellurium Dioxide   
620 HCCO ketenyl radical 2ΠC∞v
621 HCCO ketenyl radical 2A"Cs
622 HCNO fulminic acid 1ΣC∞v
623 HCNO fulminic acid 1A'Cs
624 HNCS Isothiocyanic acid   
625 HSCN thiocyanic acid 1A'Cs
626 HNNO+ Nitrous oxide, N-protonated 1A'Cs
627 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
628 HOCO Hydrocarboxyl radical 1A'cis
629 HOCO Hydrocarboxyl radical 1A'trans
630 O3H+ protonated ozone 1A'Cs
631 O3H+ protonated ozone   
632 SO2H+ protonated sulfur dioxide 1A'Cs
633 C2H2O Oxirene 1A1C2v
634 CH2CO Ketene 1A1C2v
635 CH2CS Thioketene   
636 Be(OH)2 Beryllium hydroxide   
637 Be(OH)2 Beryllium hydroxide   
638 Be(OH)2 Beryllium hydroxide   
639 NH2NO Nitrosamide 1AC1
640 H2COO Dioxymethyl radical 2A'Cs
641 H2COO+ dioxymethyl cation 2A'Cs
642 HCOOH Formic acid 1A'Cs
643 HCOOH Formic acid   
644 HSSSH trisulfane 1A'Cs
645 CH2BOH hydroxy(methylene)borane 1A'Cs
646 BH3CO Borane carbonyl 1A1C3v
647 CH3BO Borane, methyloxo- 1A1C3v
648 CH2COH+ ketene, protonated   
649 CH2NOH formaldoxime 1A'Cs
650 CH3NO nitrosomethane 1A'Cs
651 CHONH2 formamide 1A'Planar
652 CHONH2 formamide 1ANon-Planar
653 CNOH3 1,2-oxaziridine 1AC1
654 HOCHNH hydroxymethylimine 1A'CS H all up
655 HOCHNH hydroxymethylimine 1A'CS CH up
656 CHSNH2 thioformamide   
657 NHCHSH Methanimidothioic acid   
658 C2H4O Ethylene oxide 1A1C2v
659 C2H4O+ ethylene oxide cation   
660 CH3CHO Acetaldehyde 1A'Cs
661 CH3CHO+ acetaldehyde cation   
662 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
663 C2H4S Thiirane 1A1C2v
664 CH2CHSH Ethenethiol   
665 CH3CHS Thioacetaldehyde 1A'C1
666 NH2CHOH+ Formamide, O-protonated   
667 CH3SSH Hydrogen methyl disulfide   
668 HSCH2SH Methanedithiol   
669 C2H4OH+ ethylene oxide, protonated 1A'Cs
670 CH3CHOH 1-hydroxy-ethyl radical 2AC1
671 CH3CHOH+ acetaldehyde, protonated 1A'Cs
672 NH2CH2OH aminomethanol   
673 CH3CH2OH Ethanol 1A'Cs
674 CH3OCH3 Dimethyl ether 1A1C2v
675 CH3CH2SH ethanethiol 1A'Cs
676 CH3CH2SH ethanethiol 1AC1
677 CH3SCH3 Dimethyl sulfide 1A1C2v
678 CH3SCH3+ dimethyl sulfide cation   
679 CH3SeCH3 dimethylselenide 1A1C2v
680 CuF2 Copper difluoride 2ΠgD∞h
681 CNF iso cyanogen fluoride 1ΣC∞v
682 BrCN Cyanogen bromide 1ΣC∞v
683 ICN Cyanogen iodide 1ΣC∞v
684 FBO Boron monofluoride monoxide   
685 BeBr2 Beryllium bromide   
686 CaBr2 Calcium dibromide   
687 FCO Carbonyl fluoride 2A'Cs
688 FCO+ Carbonyl fluoride cation 1ΣC∞v
689 ClCO carbonyl monochloride 2A'Cs
690 BF2 Boron difluoride radical 2A1C2v
691 FNO Nitrosyl fluoride 1A'Cs
692 ClNO Nitrosyl chloride 1A'Cs
693 FNS Thionitrosyl fluoride 1A'Cs
694 FSN Thiazyl fluoride 1A'Cs
695 OPCl Phosphorus oxychloride   
696 INO Nitrosyl iodide 1A'Cs
697 CF2 Difluoromethylene 1A1D∞h
698 CFCl chlorofluoromethylene 1A'Cs
699 SiF2 Silicon difluoride 1A1C2v
700 SiF2+ Silicon difluoride cation 2A1C2v
701 GeCl2 Germanium dichloride 1A1C2v
702 CBr2 dibromomethylene 1A1C2v
703 CBr2 dibromomethylene 3B1C2v
704 FOO+ Fluorine dioxide cation   
705 OClO Chlorine dioxide 2B1D∞h
706 OClO- Chlorine dioxide anion 1A'Cs
707 ClSO Sulfur chloride oxide 2A"Cs
708 BrOO Bromine dioxide   
709 OBrO Bromine dioxide radical 2B1C2v
710 PF2 Phosphorus difluoride   
711 PF2+ Phosphorus difluoride cation   
712 FClO chlorosyl fluoride 1A'Cs
713 ClOF Chlorine hypofluorite 1A'Cs
714 SF2 sulfur difluoride 1A1C2v
715 SeF2 Selenium difluoride   
716 SeCl2 Selenium Dichloride   
717 SBr2 Sulfur dibromide   
718 SeBr2 Selenium dibromide   
719 Br3- tribromide anion   
720 I3- triiodide   
721 SFCl Sulfur chloride fluoride   
722 HCCF Fluoroacetylene 1ΣC∞v
723 HCCCl Chloroacetylene 1ΣC∞v
724 HCCBr bromoacetylene 1ΣC∞v
725 HFCO+ formyl fluoride cation 2A'Cs
726 CHCl2 dichloromethyl radical 2B1C2v
727 CHCl2 dichloromethyl radical 2A'Cs
728 CHF2 difluoromethyl radical 2ACs
729 CHF2+ difluoromethyl cation   
730 CHFCl Chlorofluoromethyl radical   
731 CHFCl+ Chlorofluoromethyl cation   
732 CHCl2+ dichloromethyl cation   
733 CHBr2 dibromomethyl radical   
734 NHF2 difluoramine   
735 NHCl2 dichloroamine   
736 CH2F2 Methane, difluoro- 1A1C2v
737 SiH2F2 difluorosilane   
738 CH2Cl2 Methylene chloride 1A1C2v
739 CH2BrF Methane, bromofluoro- 1A'Cs
740 CH2BrCl Methane, bromochloro- 1A'Cs
741 CH2FI fluoroiodomethane   
742 CH2Br2 dibromomethane 1A1C2v
743 CH2ClI chloroiodomethane   
744 CH2BrI bromoiodomethane   
745 CH2I2 Diiodomethane   
746 SiH2Cl2 dichlorosilane 1A1C2v
747 CH3MgBr Methyl Magnesium Bromide   
748 CH2CHF Ethene, fluoro- 1A'Cs
749 C2H3I Vinyl iodide   
750 CH2FOH fluoromethanol   
751 CH2CH2Cl 2-chloroethyl radical 2A'Cs
752 CHClCH3 1-chloroethyl radical 2AC1
753 C2H5Br Ethyl bromide 1A'Cs
754 C2H5I Ethyl iodide   
755 XeF2 Xenon difluoride   
756 B4H10 Tetraborane(10) 1A1C2v
757 C4 Carbon tetramer 3ΣgD∞h
758 C4 Carbon tetramer   
759 C4H2 Diacetylene 1ΣgD∞h
760 C4H2+ diacetlyene cation 2ΠgD∞h
761 C4H4 Tetrahedrane   
762 C4H6 1-Methylcyclopropene 1AC1
763 CHCCH2CH3 1-Butyne 1A'Cs
764 CH3CHCHCH2 methylallyl radical 2A"Cs
765 C4H8 methylcyclopropane 1A'Cs
766 CH2CHCH2CH3 1-Butene 1AC1
767 CH3CH2CH2CH3 Butane 1AgAnti
768 CH3CH2CH2CH3 Butane 1AGauche
769 Li3N trilithium nitride 1A'D3h
770 Li3N trilithium nitride 1A1C3v
771 C2N2 Cyanogen 1ΣgD∞h
772 As4 Arsenic tetramer 1A1Td
773 HCCCN+ Cyanoacetylene cation 2ΠC∞v
774 H2CNCN cyanamide, methylene   
775 HNCCNH Ethenediimine   
776 C3H3N+ acrylonitrile cation 2A"Cs
777 CH3N3 methyl azide 1A'Cs
778 NH2CCNH2 Diaminoacetylene 1AC2
779 NH2CCNH2 Diaminoacetylene 1A1D2d
780 NH2CH2CN Aminoacetonitrile 1A'Cs
781 CH3NHN2+ methyl azide, protonated 1AC1
782 C2H5CN ethyl cyanide 1A'Cs
783 C4H6 Bicyclo[1.1.0]butane 1A1C2v
784 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
785 H2NCHCHNH2 diaminoethylene   
786 CH7N3 triaminomethane   
787 C4H8 cyclobutane 1A1D2d
788 NH2CH2CH2CH3 1-Propanamine 1A'Cs
789 P(CH3)3 trimethylphosphine 1A1C3v
790 N(SiH3)3 trisilylamine   
791 (CH3)3NH+ protonated trimethyl amine   
792 C3H7NH3+ n-propylamine, protonated 1A'Cs
793 K2O2 dipotassium dioxide   
794 C3O Tricarbon monoxide 1ΣC∞v
795 ONNO NO dimer 1Agtrans C2H
796 ONNO NO dimer 1A1cis C2V
797 S2N2 Disulfur dinitride 1AGD2h
798 CS3-- Carbonotrithioate   
799 NO3- nitrate anion 1A1'D3h
800 SO3 Sulfur trioxide 1A1'D3h
801 SO3-- Sulfate dianion   
802 S4 Sulfur tetramer   
803 S4 Sulfur tetramer   
804 S4 Sulfur tetramer   
805 TeO3 Tellurium trioxide   
806 HNO3 Nitric acid 1A'Cs
807 NH2NO2 nitramide 1A'Cs
808 C3H2O Propadienal   
809 C3H2O Propadienal   
810 C2H2O2 Ethanedial 1AgC2h
811 H2SO3 Sulfurous acid 1A'Cs
812 C2H3NO Nitrosoethylene   
813 CH3NCO methylisocyante   
814 HOCH2CN cyanomethanol   
815 CH3NO2 Methane, nitro- 1A'Cs
816 NH2COOH Carbamic acid 1A'Cs
817 NH2COOH Carbamic acid 1AC1
818 H3AlO3 Aluminum hydroxide   
819 CH2CHCHO Acrolein 1A'Cs
820 CH2CHCHO Acrolein   
821 NH2CONH2 Urea 1A1C2v
822 NH2COOH2+ Carbamic acid, O-protonated 1AC1
823 NH3COOH+ protonated Carbamic acid 1A'Cs
824 CH3COCH2 Acetonyl radical 2A"Cs
825 CH2C(OH)NH2 1-amino vinyl alchohol   
826 CH3C(OH)=NH Ethaninidic acid   
827 CH3CHNOH Acetaldoxime 1A'CS cis
828 HCONHCH3 N-methylformamide 1A'CS cis
829 HCONHCH3 N-methylformamide 1A'CS trans
830 CH3CSNH2 Ethanethioamide   
831 CH5N2O+ urea, N-protonated 1A'Cs
832 H2NCOHNH2+ urea, protonated 1A'Cs
833 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
834 C3H5OH Cyclopropanol 1AC1
835 C3H6O 2-Propen-1-ol 1AC1
836 C3H6O Acetone enol 1A'Cs
837 C3H6O Oxetane 1A1C2v
838 C3H6O Oxetane 1A'Cs
839 CH3CH2CHO Propanal 1A'Cs
840 CH3COCH3 Acetone 1A1C2v
841 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
842 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
843 C3H7OH 1-Propanol   
844 CH3OC2H5 Ethane, methoxy- 1A'Cs
845 Li2F2 Lithium fluoride dimer   
846 FNO2 Nitryl fluoride 1A1C2v
847 FONO Nitrosyl hypofluorite 1A'CS cis
848 ClONO chlorine nitrite 1A'CS cis
849 CF2O Carbonic difluoride 1A1C2v
850 CF2O+ Carbonic difluoride cation   
851 BF3+ boron trifluoride cation 2B2C2v
852 BF3+ boron trifluoride cation   
853 BClF2 Chlorodifluoroborane   
854 ScF3 Scandium trifluoride 1A1'D3h
855 BCl3 Borane, trichloro- 1A1'D3h
856 BCl3+ Boron Trichloride cation   
857 GaF3 Gallium trifluoride 1A1'D3h
858 GaCl3 Gallium trichloride 1A1'D3h
859 CF3- Trifluoromethyl anion 1A1C3v
860 CF3+ Trifluoromethyl cation 1A1'D3h
861 CF2Cl difluorochloromethyl radical   
862 SiF3 Silicon trifluoride radical 2A1C3v
863 SiF3+ Silicon trifluoride cation 1A1'D3h
864 CFCl2 dichlorofluoromethyl radical   
865 CBr3 tribromomethyl radical   
866 ClO2F Chloryl fluoride 1A'Cs
867 ClOOCl Dichlorine dioxide 1AC2
868 SSCl2 Thiothionyl chloride   
869 NF3 Nitrogen trifluoride 1A1C3v
870 NCl3 nitrogen trichloride 1A1C3v
871 SbF3 Antimony Trifluoride   
872 AsCl3 Arsenous trichloride 1A1C3v
873 SbCl3 Antimony Trichloride   
874 NBr3 Nitrogen Tribromide 1A1C3v
875 NI3 Nitrogen triiodide   
876 PI3 Phosphorus triiodide   
877 ClF3 Chlorine trifluoride 1A1'D3h
878 ClF3 Chlorine trifluoride 1A1C2v
879 IF3 iodone trifluoride   
880 HClO3 Chloric Acid 1A'Cs
881 HClO3 Chloric Acid 1AC1
882 CHF3 Methane, trifluoro- 1A1C3v
883 SiHF3 trifluorosilane   
884 CHBrF2 Methane, bromodifluoro- 1A'Cs
885 CHFClBr fluorochlorobromomethane 1AC1
886 CHBrCl2 Methane, bromodichloro- 1A'Cs
887 CHF2I difluoroiodomethane   
888 CHBr2F dibromofluoromethane   
889 CHFClI fluorochloroiodomethane   
890 NF3H+ protonated nitrogen trifluoride 1A1C3v
891 AsF3H+ Arsenic trifluoride, protonated   
892 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
893 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
894 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
895 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
896 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
897 C2H4F2 1,2-difluoroethane 1AgC2H anti
898 C2H4F2 1,2-difluoroethane 1AC2 gauche
899 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
900 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
901 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
902 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
903 CH2BrCH2Cl 1-bromo-2-chloroethane   
904 CH2BrCH2Cl 1-bromo-2-chloroethane   
905 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
906 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
907 CH2CHCH2F Allyl Fluoride   
908 CH2CHCH2F Allyl Fluoride   
909 CH3CHCHF trans-1-Fluoro-1-propene   
910 CH2FCH2OH 2-fluoroethanol   
911 CH2ClCH2OH 2-Chloroethanol 1A'Cs
912 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
913 CH2FCH2CH3 1-Fluoropropane 1A'Cs
914 CH2FCH2CH3 1-Fluoropropane   
915 CH3CHFCH3 2-Fluoropropane 1A'Cs
916 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
917 B5H9 pentaborane9   
918 C5H4 pentatetraene   
919 C5H6 Propellane 1A1D3h
920 C5H8 Bicyclo[1.1.1]pentane   
921 C5H8 Ethenylcyclopropane 1A'Cs
922 CH2N4 1H-Tetrazole 1A'Cs
923 C3H3N2 imidazolyl radical 2B1C2v
924 C3H3N2- imidizolyl anion 1A1C2v
925 C4H4N pyrrolide radical 2A2C2v
926 C4H4N- pyrrolide anion 1A1C2v
927 C3H4N2 1H-Imidazole 1A'Cs
928 C3H4N2 2H-Imidazole 1A1C2v
929 C3H4N2 4H-Imidazole 1A'Cs
930 C4H5N Pyrrole 1A1C2v
931 C4H6N+ pyrrole, alpha-protonated 1A'Cs
932 C4H6N+ pyrrole, beta-protonated 1A'Cs
933 C4H6N+ pyrrole, protonated 1A1C2v
934 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
935 CH3CH2CH2CN Butanenitrile 1A'Cs
936 NH(C2H5)2 diethylamine 1A'Cs
937 C3O2 Carbon suboxide 1ΣGD∞h
938 B2O3 diboron trioxide   
939 B2O3 diboron trioxide   
940 MgCO3 Magnesium Carbonate 1A1C2v
941 BeCO3 Beryllium Carbonate 1A1C2v
942 HSO4- bisulfate anion 1A'Cs
943 CHOOCHO diformyl ether   
944 C3H3NO Isoxazole 1A'Cs
945 C3H3NO Oxazole 1A'Cs
946 C3H3NS Thiazole   
947 C4H4O Furan 1A1C2
948 CH3COCCH 3-butyn-2-one 1A'Cs
949 C4H4Se selenophene   
950 CH3OCH2CN Methoxyacetonitrile 1A'Cs
951 CH3OCH2CN Methoxyacetonitrile 1AC1
952 CH3SO2NH2 methanesulfonamide 1A'Cs
953 CH2CHSCHCH2 Divinyl sulfide   
954 CH3CH2COOH Propanoic Acid 1A'Cs
955 HCOOC2H5 Ethyl formate 1A'Cs
956 C2H6O2S Dimethyl sulfone 1A1C2v
957 C4H8S Thiophene, tetrahydro- 1AC1
958 C4H10O 1-Butanol 1A'Cs
959 C4H10O Ethoxy ethane 1A1C2v
960 C4H10O Methyl propyl ether 1AC1
961 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
962 C4H9SH 1-Butanethiol   
963 BrONO2 Bromine nitrate 1A'Cs
964 CF3Cl Methane, chlorotrifluoro- 1A1C3v
965 CF2Cl2 difluorodichloromethane 1A1C2v
966 TiF4 Titanium tetrafluoride 1A1Td
967 CF3Br Bromotrifluoromethane 1A1C3v
968 GeF4 Germanium tetrafluoride 1A1Td
969 CCl4 Carbon tetrachloride 1A1Td
970 CBrCl2F bromodichlorofluoromethane   
971 CBr2ClF dibromochlorofluoromethane   
972 CBr2Cl2 dibromodichloromethane 1A1C2v
973 CCl3I trichloroiodomethane   
974 CFBr3 fluorotribromomethane 1A1C3v
975 CFClBrI fluorochlorobromoiodomethane   
976 CBr3Cl tribromochloromethane 1A1C3v
977 CF2I2 difluorodiiodomethane   
978 CBr4 Carbon tetrabromide 1A1Td
979 CCl2I2 dichlorodiiodomethane   
980 SiBr4 Silicon tetrabromide 1A1Td
981 GeBr4 Germanium tetrabromide   
982 CI4 tetraiodomethane   
983 SiI4 silicon tetraiodide   
984 ClOF3 Chlorine trifluoride oxide 1A'Cs
985 SF4 Sulfur tetrafluoride 1A1C2v
986 SeF4 Selenium tetrafluoride   
987 SCl4 Sulfur tetrachloride   
988 CH2ClCCCl 1,3-dichloropropyne   
989 CHCl2CCH 3,3-dichloropropyne   
990 CHCl2CHO dichloroacetaldehyde   
991 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
992 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
993 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
994 SiH3CCl3 (trichloromethyl)silane 1A1C3v
995 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
996 CH2FCH2CH2F 1,3-difluoropropane   
997 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
998 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
999 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1000 XeF4 Xenon tetrafluoride   
1001 C2H2N2O Furazan   
1002 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
1003 NH3BF3 Amminetrifluoroboron 1A1C3v
1004 C6H2 hexatriyne 1ΣgD∞h
1005 C6H6 Prismane   
1006 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1007 C6H6 Benzene 1A1gD6h
1008 C6H6 Benzvalene 1A1C2v
1009 C6H6 Dewar Benzene   
1010 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1011 C6H6 Trimethylenecycopropane 1A'D3h
1012 C6H7+ benzene, protonated 1A1C2v
1013 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1014 C6H10 1,5-Hexadiene 1AgC2
1015 C6H10 3-Hexyne 1A1C2v
1016 C6H12 (E)-hex-3-ene 1AGCi
1017 C6H12 (Z)-hex-3-ene 1AC2
1018 C6H12 2,3-dimethylbut-1-ene 1A'C2
1019 C6H12 hex-1-ene 1A'Cs
1020 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1021 C4H2N2 Fumaronitrile 1AgC2h
1022 C5H6N+ Pyridinium 1A1C2v
1023 MgSO4 Magnesium Sulfate 1A1C2v
1024 N2O4 Dinitrogen tetroxide 1AgD2d
1025 C3H2O3 vinylene carbonate   
1026 C2H2O4 Oxalic Acid 1AgC2h
1027 C2H4N2S2 Ethanedithioamide 1AGC2h
1028 C2H4CO3 Ethylene carbonate 1A1C2v
1029 C2H4CO3 Ethylene carbonate 1AC2
1030 C2H4O4 Formic acid dimer 1AGC2h
1031 C2H5NO3 Nitric acid, ethyl ester 1A'C1
1032 C5H6O 2H-Pyran   
1033 C5H6O Pentadienal   
1034 C4H6O2 γ–Butyrolactone 1AC1
1035 C3H6O3 1,3,5-Trioxane 1A1C1
1036 C3H6S3 1,3,5-Trithiane 1A1C3v
1037 C5H8O Cyclopentanone 1AC2
1038 C5H8O Methyl cyclopropyl ketone 1A'Cs
1039 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1040 C4H8O2 Ethyl acetate 1A'Cs
1041 C5H10O 2-methylbutyraldehyde 1AC1
1042 C5H10O 3-Pentanone 1A1C2v
1043 C4F2 difluorobutadiyne   
1044 ClCOClCO Oxalyl chloride 1AGC2h
1045 B2Cl4 Diboron tetrachloride 1A1D2
1046 C2ClF3 Ethene, chlorotrifluoro-   
1047 CF2CCl2 difluorodichloroethylene 1A1C2v
1048 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1049 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1050 C2Br4 tetrabromoethene   
1051 CF3OF Trifluoromethylhypofluorite 1A'Cs
1052 SiF5- silicon pentafluoride anion   
1053 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1054 PF5 Phosphorus pentafluoride 1A1'D3h
1055 SF5+ pentafluoro sulfur cation 1A1'D3h
1056 IF5 pentafluoroiodine   
1057 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1058 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1059 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1060 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1061 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1062 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1063 CF3COOH trifluoroacetic acid 1A'Cs
1064 C4H3ClO Furan, 2-chloro 1A'Cs
1065 C4H3ClO Furan,3-chloro 1A'Cs
1066 C4H8O2 Butanoic acid 1AC1
1067 C7H7 cycloheptatrienyl radical 2A2C2v
1068 C7H7+ cycloheptatrienyl cation 1A1'D7h
1069 CH(CN)3 tricyanomethane   
1070 HN=C=C(CN)2 Dicyanoketenimine   
1071 C5H4O2 furfural 1A'OCCO cis
1072 C5H4O2 furfural 1A'OCCO trans
1073 C6H6O 2,5-Cyclohexadienone 1A1C2v
1074 HO2CCHNH2CH2OH Serine 1AC1
1075 C5H8O2 Acetylacetone 1AC2
1076 C7H10 Norbornene   
1077 C6H12O Oxepane   
1078 F2CCCF2 tetrafluoroallene   
1079 CF3COO- trifluoro acetate anion 1A'Cs
1080 CF3COF trifluoroacetyl fluoride 1A'Cs
1081 PF6 Hexafluorophosphate neutral 2B2C2v
1082 PF6- Hexafluorophosphate ion 1A1GOh
1083 SF6 Sulfur Hexafluoride 1A1GOh
1084 SeF6 Selenium hexafluoride 1A1GOh
1085 SF5Cl sulfur chloropentafluoride 1A1C4v
1086 CF3CHF2 pentafluoroethane 1A'Cs
1087 C8H6 Calicene 1A1C2v
1088 C8H8 cubane 1A1GOh
1089 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1090 C8H16 cyclooctane 1A1D4d
1091 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1092 C6H12N2 Triethylenediamine 1A1D3
1093 S4N4 Tetrasulfur tetranitride   
1094 C6H5CHO benzaldehyde 1A'Cs
1095 C5H9NO2 Proline 1AC1
1096 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1097 C2Cl6 hexachloroethane 1A1gD3d
1098 C6H4F2 1,4-difluorobenzene 1AgD2h
1099 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1100 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1101 C6H4Cl2 1,4-dichlorobenzene   
1102 C6H5NO nitrosobenzene 1A'Cs
1103 C9H20 Nonane 1A1C2v
1104 C(CN)4 tetracyanomethane 1A1Td
1105 C3H3N3O3 cyanuric acid 1A1'D3h
1106 C3F6 hexafluoropropene   
1107 C6H3F3 Benzene trifluoride 123 1A1C2v
1108 C8H18O 1-Octanol   
1109 C10H8 Azulene 1A1C2v
1110 C10H8 naphthalene 1AgD2h
1111 C10H10 bullvalene   
1112 C10H22 Decane 1AGC2h
1113 B12H12-- Dodecahydrododecaborate(2-)   
1114 C12H8 biphenylene 1AgD2h
1115 C6H12O6 Inositol 1A1GD3d
1116 S2F10 disulphur decafluoride   
1117 C13H10 Fluorene   
1118 C14H14 Bibenzyl 1AC2
1119 C12H10N2 azobenzene 1AGC2h
1120 C6H5COC6H5 benzophenone 1AC2
1121 C19H16 Triphenylmethane 1AC3
1122 C24H12 Coronene 1A1GD6h
1123 C60 Buckminsterfullerene 1AGIh

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 H3+ hydrogen trimer cation h3+  
8 He Helium atom he  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 He2+ helium diatomic cation he2+  
12 Li Lithium atom li  
13 Li+ Lithium atom cation li+  
14 Na Sodium atom na  
15 Na- Sodium atom anion na-  
16 Na+ Sodium atom cation na+  
17 K Potassium atom k  
18 K- Potassium atom anion k-  
19 K+ Potassium atom cation k+  
20 Cu Copper atom cu  
21 Cu- Copper atom anion cu-  
22 Cu+ Copper atom cation cu+  
23 LiH Lithium Hydride lih  
24 LiH- lithium hydride anion lih-  
25 NaH sodium hydride nah  
26 NaH- sodium hydride anion nah-  
27 KH+ Potassium hydrogen cation kh+  
28 CuH Copper monohydride cuh  
29 Be Beryllium atom be  
30 Be- Beryllium atom anion be-  
31 Be+ Beryllium atom cation be+  
32 Mg Magnesium atom mg  
33 Mg- Magnesium atom anion mg-  
34 Mg+ Magnesium atom cation mg+  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
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 cation cah+  
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 BH- boron monohydride anion bh-  
54 BH+ boron monohydride cation bh+  
55 AlH aluminum monohydride alh  
56 AlH- aluminum monohydride anion alh-  
57 AlH+ aluminum monohydride cation alh+  
58 BH2 boron dihydride bh2  
59 BH2+ Boron dihydride cation bh2+  
60 AlH2 aluminum dihydride alh2  
61 AlH2- aluminum dihydride anion alh2-  
62 AlH2+ aluminum dihydride cation alh2+  
63 BH3 boron trihydride bh3  
64 BH3- boron trihydride anion bh3-  
65 AlH3+ aluminum trihydride cation alh3+  
66 GaH3 Gallium trihydride gah3  
67 AlH4- Aluminum tetrahydride anion alh4-  
68 C- Carbon atom anion c-  
69 C+ Carbon atom cation c+  
70 Si+ Silicon atom cation si+  
71 Ti Titanium atom ti  
72 Ti- Titanium atom anion ti-  
73 Ti+ Titanium atom cation ti+  
74 CH- methylidyne anion ch-  
75 CH+ Methylidyne cation ch+  
76 SiH- silicon monohydride anion sih-  
77 SiH2 silicon dihydride sih2  
78 SiH2- silicon dihydride anion sih2-  
79 SiH2+ silicon dihydride cation sih2+  
80 SiH3- Silyl anion sih3-  
81 CD4 methane-d4 cd4  
82 CH2D2 methane-d2 ch2d2  
83 CH3D methane-d ch3d  
84 CH4+ Methane cation ch4+  
85 CHD3 methane-d3 chd3  
86 SiH4+ Silane cation sih4+  
87 N- Nitrogen atom anion n-  
88 N+ Nitrogen atom cation n+  
89 P- Phosphorus atom anion p-  
90 P+ Phosphorus atom cation p+  
91 NH Imidogen nh  
92 NH- Imidogen anion nh-  
93 NH+ imidogen cation nh+  
94 PH- phosphorus monohydride anion ph-  
95 PH+ phosphorus monohydride cation ph+  
96 ND2 Amidogen-d2 nd2  
97 NH2- amino anion nh2-  
98 PH2 Phosphino radical ph2  
99 PH2- Phosphino anion ph2-  
100 PH2+ Phosphino cation ph2+  
101 AsH2 Arsenic dihydride ash2  
102 AsH2+ Arsenic dihydride cation ash2+  
103 ND3 Ammonia-d3 nd3  
104 O- Oxygen atom anion o-  
105 O+ Oxygen atom cation o+  
106 Cr Chromium atom cr  
107 DO Hydroxyl-d od  
108 DS Mercapto-d ds  
109 D2O Deuterium oxide d2o  
110 D2S Hydrogen sulfide-d2 d2s  
111 Mn Manganese atom mn  
112 I Iodine atom iodine  
113 DF Hydrofluoric acid-d df  
114 DCl Hydrochloric acid-d dcl  
115 HI Hydrogen iodide hi  
116 HI+ Hydrogen iodide cation hi+  
117 H2F+ dihydrogen fluoride cation h2f+  
118 H2I+ Iodonium h2i+  
119 Ne- Neon atom anion ne-  
120 Ne+ Neon atom cation ne+  
121 Ar Argon atom ar  
122 Ar- Argon atom anion ar-  
123 Ar+ Argon atom cation ar+  
124 Fe Iron atom fe  
125 NeH+ neon hydrogen cation neh+  
126 Co Cobalt atom cobalt  
127 Ni Nickel atom ni  
128 Li2 Lithium diatomic li2  
129 Li2- lithium diatomic anion li2-  
130 NaLi- lithium sodium anion lina-  
131 NaLi+ lithium sodium cation lina+  
132 LiK Lithium Potassium lik  
133 NaK Sodium Potassium nak  
134 K2 Potassium diatomic k2  
135 Cu2 Copper diatomic cu2  
136 LiBe Lithium Beryllium libe  
137 LiMg Lithium magnesium limg  
138 NaBe Sodium Beryllium nabe  
139 NaMg Sodium Magnesium namg  
140 Be2- Beryllium diatomic anion be2-  
141 Be2+ Beryllium diatomic cation be2+  
142 Mg2 Magnesium diatomic mg2  
143 Mg2- magnesium diatomic anion mg2-  
144 Mg2+ magnesium diatomic cation mg2+  
145 Ca2 Calcium diatomic ca2  
146 B2- Boron diatomic anion b2-  
147 Al2 Aluminum diatomic al2  
148 Al2- aluminum diatomic anion al2-  
149 Al2+ aluminum diatomic cation al2+  
150 LiBH4 Lithium borohydride libh4  
151 BC- boron monocarbide anion bc-  
152 BC+ boron monocarbide cation bc+  
153 C2- carbon diatomic anion c2-  
154 SiC- silicon monocarbide anion sic-  
155 SiC+ silicon monocarbide cation sic+  
156 Si2 Silicon diatomic si2  
157 Si2- silcon diatomic anion si2-  
158 Si2+ silcon diatomic cation si2+  
159 Ge2 Germanium diatomic ge2  
160 C2H+ Ethynyl cation c2h+  
161 ZnCH2 Zinc methylene znch2  
162 CCH2 vinylidene vinylidene  
163 CuCH3 monomethyl copper cuch3  
164 ZnCH3 Zinc monomethyl znch3  
165 CH3CH methylmethylene ch3ch  
166 CH2SiH2 silaethylene ch2sih2  
167 C2H5- Ethyl anion c2h5-  
168 C2H5+ Ethyl cation c2h5+  
169 C2H6+ ethane cation c2h6+  
170 CH3SiH3 methyl silane ch3sih3  
171 GeH3CH3 methyl germane geh3ch3  
172 C2H7+ Ethane, protonated c2h7+  
173 LiN+ Lithium Nitride cation lin+  
174 BeN- Beryllium mononitride anion ben-  
175 BN- boron nitride anion bn-  
176 AlN- aluminum mononitride anion aln-  
177 AlN+ aluminum mononitride cation aln+  
178 BN+ boron nitride cation bn+  
179 AlN Aluminum nitride aln  
180 CN+ Cyano cation cn+  
181 CP Carbon monophosphide cp  
182 CP- carbon monophosphide anion cp-  
183 CP+ carbon monophosphide cation cp+  
184 SiN Silicon nitride sin  
185 SiN- silicon mononitride anion sin-  
186 SiN+ silicon mononitride cation sin+  
187 SiP- Silicon monophosphide anion sip-  
188 SiP+ Silicon monophosphide cation sip+  
189 TiN Titanium mononitride tin  
190 PN- phosphorus nitride anion pn-  
191 PN+ phosphorus nitride cation pn+  
192 P2- phosphorus diatomic anion p2-  
193 P2+ phosphorus diatomic cation p2+  
194 AsN Arsenic mononitride asn  
195 AsP Arsenic monophosphide asp  
196 SbN Antimony nitride sbn  
197 As2 Arsenic diatomic as2  
198 HNB hydrogen nitrogen boron hnb  
199 HNC hydrogen isocyanide hnc  
200 HCN- Hydrogen cyanide anion hcn-  
201 HCP Phosphaethyne hcp  
202 NNH Dinitrogen monohydride nnh  
203 HPO Hydrogen phosphorus oxide hpo  
204 HPO+ Hydrogen phosphorus oxide cation hpo+  
205 CNH2+ N-protonated hydrogen isocyanide cnh2+  
206 H2CN+ hydrocyanonium cation h2cn+  
207 HCNH+ N-protonated HCN hcnh+  
208 P2H4 Diphosphine p2h4  
209 CH3PH2 Methyl phosphine ch3ph2  
210 CH3NH3+ protonated methylamine ch3nh3+  
211 LiO- lithium oxide anion lio-  
212 LiO+ lithium oxide cation lio+  
213 NaO- sodium oxide anion nao-  
214 NaO+ sodium oxide cation nao+  
215 CuO Copper Monoxide cuo  
216 BeO beryllium oxide beo  
217 BeO- Beryllium monoxide anion beo-  
218 BeS beryllium sulfide bes  
219 MgO magnesium oxide mgo  
220 MgO- magnesium oxide anion mgo-  
221 MgO+ magnesium oxide cation mgo+  
222 MgS magnesium sulfide mgs  
223 MgS- magnesium sulfide anion mgs-  
224 MgS+ magnesium sulfide cation mgs+  
225 ZnO zinc monoxide zno  
226 ZnS Zinc sulfide zns  
227 BeS- Beryllium monosulfide anion bes-  
228 BeS+ Beryllium monosulfide cation bes+  
229 BO- boron monoxide anion bo-  
230 AlO Aluminum monoxide alo  
231 AlO- Aluminum monoxide anion alo-  
232 AlO+ aluminum monoxide cation alo+  
233 BS boron sulfide bs  
234 BS- boron monosulfide anion bs-  
235 BS+ boron monosulfide cation bs+  
236 AlS Aluminum sulfide als  
237 AlS- aluminum monosulfide anion als-  
238 AlS+ aluminum monosulfide cation als+  
239 BO+ boron monoxide cation bo+  
240 CS carbon monosulfide cs  
241 CS- carbon monosulfide anion cs-  
242 CS+ carbon monosulfide cation cs+  
243 SiO- silicon monoxide anion sio-  
244 SiO+ silicon monoxide cation sio+  
245 SiS- silicon monosulfide anion sis-  
246 SiS+ silicon monosulfide cation sis+  
247 CSe- Carbon monoselenide anion cse-  
248 CSe+ Carbon monoselenide cation cse+  
249 NS- nitrogen sulfide anion ns-  
250 NS+ nitrogen sulfide cation ns+  
251 PO- phosphorus monoxide anion po-  
252 PO+ phosphorus monoxide cation po+  
253 PS- phosphorus monosulfide anion ps-  
254 PS+ phosphorus monosulfide cation ps+  
255 AsO Arsenic monoxide aso  
256 SO- sulfur monoxide anion so-  
257 S2- sulfur diatomic anion s2-  
258 S2+ sulfur diatomic cation s2+  
259 SeO- selenium monoxide anion seo-  
260 SeO+ selenium monoxide cation seo+  
261 SeS Selenium monosulfide ses  
262 SeS- selenium monosulfide anion ses-  
263 SeS+ selenium monosulfide cation ses+  
264 Se2- selenium diatomic anion se2-  
265 Se2+ selenium diatomic cation se2+  
266 NaOH sodium hydroxide naoh  
267 MgOH magnesium hydroxide mgoh  
268 CaOH Calcium monohydroxide caoh  
269 HCS Thioformyl radical hcs  
270 HCS- Thioformyl anion hcs-  
271 HCS+ Thioformyl cation hcs+  
272 HNO- Nitrosyl hydride anion hno-  
273 HNS Sulfur imide hns  
274 HNS- Sulfur imide anion hns-  
275 HO2- Hydroperoxy anion ho2-  
276 HS2 Thiosulfeno radical hs2  
277 HOCH hydroxycarbene hoch  
278 CH3O Methoxy radical ch3o  
279 CH3S thiomethoxy ch3s  
280 NH3O Ammonia Oxide nh3o  
281 H2POH Phosphinous acid h2poh  
282 H3PO Phosphine oxide h3po  
283 H3O2+ hydrogen peroxide, protonated h3o2+  
284 CH3SeH Methane selenol ch3seh  
285 CH3OH2+ Methanol, protonated ch3oh2+  
286 H2ONH3 Water Ammonia Dimer h2onh3  
287 LiCl- lithium chloride anion licl-  
288 LiCl+ lithium chloride cation licl+  
289 NaF- sodium fluoride anion naf-  
290 KF Potassium Fluoride kf  
291 NaCl- sodium chloride anion nacl-  
292 NaCl+ sodium chloride cation nacl+  
293 KCl Potassium Chloride kcl  
294 CuF Copper monofluoride cuf  
295 LiBr- lithium bromide anion libr-  
296 LiBr+ lithium bromide cation libr+  
297 CuCl Copper monochloride cucl  
298 NaBr Sodium Bromide nabr  
299 NaBr- sodium bromide anion nabr-  
300 NaBr+ sodium bromide cation nabr+  
301 KBr Potassium Bromide kbr  
302 KI Potassium Iodide ki  
303 LiF- lithium fluoride anion lif-  
304 BeF Beryllium monofluoride bef  
305 BeF- Beryllium monofluoride anion bef-  
306 BeF+ Beryllium monofluoride cation bef+  
307 BeCl beryllium monochloride becl  
308 MgF Magnesium monofluoride mgf  
309 MgF- magnesium fluoride anion mgf-  
310 CaF Calcium monofluoride caf  
311 MgCl magnesium monochloride mgcl  
312 MgCl- magnesium monochloride anion mgcl-  
313 MgCl+ magnesium monochloride cation mgcl+  
314 CaCl calcium monochloride cacl  
315 ZnF- Zinc monofluoride anion znf-  
316 ZnF+ Zinc monofluoride cation znf+  
317 ZnCl Zinc monochloride zncl  
318 BeCl- beryllium monochloride anion becl-  
319 BeCl+ beryllium monochloride cation becl+  
320 BF- Boron monofluoride anion bf-  
321 BF+ Boron monofluoride cation bf+  
322 AlF- Aluminum monofluoride anion alf-  
323 AlF+ Aluminum monofluoride cation alf+  
324 BCl boron monochloride bcl  
325 BCl- boron monochloride anion bcl-  
326 BCl+ boron monochloride cation bcl+  
327 AlCl- aluminum monochloride anion alcl-  
328 AlCl+ aluminum monochloride cation alcl+  
329 BBr Boron monobromide bbr  
330 CF- carbon monofluoride anion cf-  
331 CF+ carbon monofluoride cation cf+  
332 CCl carbon monochloride ccl  
333 CCl- carbon monochloride anion ccl-  
334 CCl+ carbon monochloride cation ccl+  
335 SiF- silicon monofluoride anion sif-  
336 SiCl- silicon monochloride anion sicl-  
337 SiCl+ silicon monochloride cation sicl+  
338 NF nitrogen fluoride nf  
339 NF- nitrogen monofluorine anion nf-  
340 NF+ nitrogen monofluoirde cation nf+  
341 NCl- nitrogen monochloride anion ncl-  
342 NCl+ nitrogen monochloride cation ncl+  
343 PF phosphorus monofluoride pf  
344 PF- phosphorus monofluoride anion pf-  
345 PF+ phosphorus monofluoride cation pf+  
346 PCl phosphorus chloride pcl  
347 PCl- phosphorus monochloride anion pcl-  
348 PCl+ phosphorus monochloride cation pcl+  
349 SbF Antimony monofluoride sbf  
350 SbCl Antimony monochloride sbcl  
351 FO- flourine oxide anion fo-  
352 FO+ fluorine monoxide cation fo+  
353 ClO- chlorine monoxide anion clo-  
354 SF- sulfur monofluoride anion sf-  
355 SCl- sulfur monochloride anion scl-  
356 BrO- Bromine monoxide anion bro-  
357 ClF- clorine monofluoride anion clf-  
358 BrF- bromine fluoride anion brf-  
359 BrF+ bromine fluoride cation brf+  
360 BrCl- bromine chloride anion brcl-  
361 BrCl+ bromine chloride cation brcl+  
362 IF Iodine monofluoride if  
363 ICl Iodine monochloride icl  
364 IBr Iodine monobromide ibr  
365 I2 Iodine diatomic i2  
366 HCCl Chloromethylene hccl  
367 CHBr bromomethylene chbr  
368 DOCl Hypochlorous acid-d docl  
369 FHF Hydrogen difluoride fhf  
370 FHF- Hydrogen difluoride anion fhf-  
371 NH2F monofluoroamine nh2f  
372 H2F2 Hydrogen fluoride dimer h2f2  
373 CD3Cl methyl chloride d3 cd3cl  
374 CH3I methyl iodide ch3i  
375 Ne2 Neon diatomic ne2  
376 C3+ carbon trimer cation c3+  
377 C3H3 Propargyl radical propargyl  
378 C3H3- Propargyl anion c3h3-  
379 C3H3+ cyclopropenyl cation cpr+  
380 C3H3+ Propargyl cation c3h3+  
381 C3H5+ Allyl cation allyl+  
382 Zn(CH3)2 dimethyl zinc dmz  
383 SiH2(CH3)2 dimethylsilane dms  
384 CuCN Copper cyanide cucn  
385 CN2 3H-Diazirin-3-ylidene cn2  
386 N3- azide anion n3-  
387 HCNN diazomethyl radical hcnn  
388 CH2N2 diazirine ch2n2  
389 CH2NN diazomethane ch2nn  
390 CH3CN+ Acetonitrile cation ch3cn+  
391 CH3NC methyl isocyanide ch3nc  
392 NHCHNH2 aminomethanimine cn2h4  
393 C2H5N Aziridine c2h5n  
394 CH2CHNH2 aminoethene aminoethene  
395 CH2NCH3 N-methylmethanimine nmm  
396 CH3CHNH ethanimine ethanimine  
397 NH2BHNH2 diaminoborane nh2bhnh2  
398 NH2CH2NH2 diaminomethane nh2ch2nh2  
399 CH3NHCH3 Dimethylamine ch3nhch3  
400 NH2CH2NH3+ diaminoethane, protonated pdam  
401 Li2O+ dilithium oxide cation li2o+  
402 CNO- fulminate cno-  
403 NCO- cyanate nco-  
404 SCN thiocyanato radical scn  
405 SCN- thiocyanide anion scn-  
406 BO2 Boron dioxide bo2  
407 BO2- Boron dioxide anion bo2-  
408 BO2+ Boron dioxide cation bo2+  
409 N2O+ Nitrous oxide cation n2o+  
410 NNS Nitrogen sulfide nns  
411 PPO Phosphorus oxide phosphide ppo  
412 CO2- Carbon dioxide anion co2-  
413 CO2+ Carbon dioxide cation co2+  
414 OCS+ Carbonyl sulfide cation cos+  
415 SiO2 silicon dioxide sio2  
416 CS2+ Carbon disulfide cation cs2+  
417 GeS2 Germanium disulfide ges2  
418 NO2- Nitrogen dioxide anion no2-  
419 PO2 Phosphorus dioxide po2  
420 PO2- Phosphorus dioxide anion po2-  
421 PO2+ Phosphorus dioxide cation po2+  
422 O3- Ozone anion o3-  
423 O3+ Ozone cation o3+  
424 SO2- Sulfur dioxide anion so2-  
425 SO2+ Sulfur dioxide cation so2+  
426 S3- Sulfur trimer anion s3-  
427 CS2H+ Carbon disulfide, protonated cs2h+  
428 HNCO Isocyanic acid hnco  
429 HOCN cyanic acid hocn  
430 HCO2- formate anion hco2-  
431 HNNO nitrosoazane hnno  
432 HOCO+ Hydrocarboxyl cation hoco+  
433 HNO2 Nitrous acid hno2  
434 HNO2+ nitrous acid cation hno2+  
435 CH2CO+ Ketene cation ch2co+  
436 HCCOH ethynol hccoh  
437 Mg(OH)2 Magnesium dihydroxide h2mgo2  
438 CH2O2 Dioxirane diox  
439 H2O3 Hydrogen trioxide h2o3  
440 NaOCH3 Sodium methoxide naoch3  
441 CH2CHO Vinyloxy radical ch2cho  
442 CH3CO Acetyl radical ch3co  
443 CH3CO- Acetyl anion ch3co-  
444 CH3CO+ acetyl cation ch3co+  
445 CH2OOH CH2OOH radical ch2ooh  
446 CH3OO methylperoxy radical ch3oo  
447 CH3OO- methylperoxy anion ch3oo-  
448 CH3OO+ methylperoxy cation ch3oo+  
449 CH2CHOH ethenol ch2choh  
450 H2CONH2+ protonated formamide h2conh2+  
451 NH3CHO+ Formamide, N-Protonated nh3cho+  
452 CH2(OH)2 methanediol ch2o2h2  
453 CH3OOH Methyl peroxide ch3ooh  
454 H2OH2CO water formaldehyde dimer h2oh2co  
455 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
456 CH3CH2O Ethoxy radical ethoxy  
457 CH3OCH2 methoxymethyl radical ch3och2  
458 CH3OHH2O methanol water dimer ch3ohh2o  
459 H2OCH3OH water methanol dimer h2och3oh  
460 ZnF2 Zinc difluoride znf2  
461 FCN Cyanogen fluoride fcn  
462 ClCN chlorocyanogen clcn  
463 BeF2 Beryllium fluoride bef2  
464 MgF2 Magnesium fluoride mgf2  
465 BeCl2 Beryllium chloride becl2  
466 MgCl2 Magnesium dichloride mgcl2  
467 CaCl2 Calcium Chloride cacl2  
468 ZnCl2 Zinc dichloride zncl2  
469 CaF2 Calcium difluoride caf2  
470 BrNO Nitrosyl bromide brno  
471 CF2- Difluoromethylene anion cf2-  
472 CF2+ Difluoromethylene cation cf2+  
473 CCl2 dichloromethylene ccl2  
474 CCl2- dichloromethylene anion ccl2-  
475 CCl2+ dichloromethylene cation ccl2+  
476 SiCl2 Dichlorosilylene sicl2  
477 GeF2 Germanium difluoride gef2  
478 FOO Dioxygen monofluoride radical foo  
479 ClOO chloroperoxy radical cloo  
480 ClOO+ chloroperoxy cation cloo+  
481 OClO+ Chlorine dioxide cation oclo+  
482 ClS2 Sulfur chloride cls2  
483 NF2 Difluoroamino radical nf2  
484 NF2+ Difluoroamino cation nf2+  
485 F2O Difluorine monoxide f2o  
486 SF2- sulfur difluoride anion sf2-  
487 SF2+ sulfur difluoride cation sf2+  
488 Cl2O Dichlorine monoxide cl2o  
489 SCl2 Sulfur dichloride scl2  
490 BrOCl Bromine hypochlorite brocl  
491 BrOBr Bromine oxide brobr  
492 F3- trifluoride anion f3-  
493 Cl3- trichloride anion cl3-  
494 HCCF+ fluoroacetylene cation hccf+  
495 HFCO formyl fluoride hfco  
496 COHCl Formyl chloride cohcl  
497 COHBr Formyl bromide cohbr  
498 BHF2 Difluoroborane bhf2  
499 BHCl2 Borane, dichloro- bhcl2  
500 HOClO Chlorous acid hoclo  
501 CH2FCl fluorochloromethane ch2fcl  
502 CH2CHF+ fluoroethene cation ch2chf+  
503 C2H3Cl Ethene, chloro- ch2chcl  
504 C2H3Br vinyl bromide c2h3br  
505 CH3OCl methyl hypochlorite ch3ocl  
506 C2H5F fluoroethane c2h5f  
507 CH3CH2Cl Ethyl chloride c2h5cl  
508 CH3SiFH2 fluoromethylsilane ch3sifh2  
509 KrF2 Krypton difluoride krf2  
510 C4+ Carbon tetramer cation c4+  
511 C2H3CCH 1-Buten-3-yne c2h3cch  
512 C4H4 cyclobutadiene cbd  
513 H2CCCCH2 Butatriene h2cccch2  
514 C4H6 Cyclobutene c822355  
515 C4H6 Methylenecyclopropane c6142730  
516 CH2CCHCH3 1,2-Butadiene butad12  
517 CH2CHCHCH2 1,3-Butadiene c106990  
518 CH3CCCH3 2-Butyne c503173  
519 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
520 CH3CHCHCH3 2-Butene, (E)- bute2e  
521 CH3CHCHCH3 2-Butene, (Z)- bute2z  
522 B(CH3)3 trimethylborane bme3  
523 Al(CH3)3 trimethyl aluminum tma  
524 C(CH3)3 Tert-butyl radical tbutyl  
525 CH2CH(CH3)2 Isobutyl radical isobutyl  
526 CH3CHCH2CH3 2-Butyl radical butyl2  
527 CH3CH(CH3)CH3 Isobutane isobutane  
528 SiH(CH3)3 trimethylsilane trimsi  
529 C2N2+ Cyanogen cation c2n2+  
530 P4 Phosphorus tetramer p4  
531 HCCCN Cyanoacetylene hcccn  
532 C3H3N acrylonitrile ch2chcn  
533 CH5N3 Guanidine guanidine  
534 CH6N3+ guanidinium ch6n3+  
535 C3H7N Cyclopropylamine cpram  
536 C3H7N Azetidine azet  
537 C2H8N2 Ethylenediamine ethdiam  
538 CH3NHNHCH3 dimethyl hydrazine dmh  
539 CH3CH(NH2)CH3 2-Propanamine pram2  
540 N(CH3)3 Trimethylamine trimeam  
541 As(CH3)3 trimethyl arsine tmas  
542 Li2O2 dilithium dioxide li2o2  
543 B2O2 Diboron dioxide b2o2  
544 CO3-- carbonate co3--  
545 NO3 Nitrogen trioxide no3  
546 NO3+ nitrogen trioxide cation no3+  
547 SO3- Sulfur trioxide anion so3-  
548 SO3+ Sulfur trioxide cation so3+  
549 SeO3 selenium trioxide seo3  
550 HCO3- bicarbonate anion hco3-  
551 HSO3 Hydroxysulfonyl radical hso3  
552 C2H2CO cyclopropenone c2h2co  
553 HCCCHO 2-propynal hcccho  
554 C2H2O2+ Ethanedial cation c2h2o2+  
555 H2CO3 Carbonic acid h2co3  
556 H2CS3 thiocarbonic acid h2cs3  
557 H2NO3+ Nitric Acid, Protonated h2no3+  
558 CH3COO- acetate anion ch3coo-  
559 CH3ONO Methyl nitrite ch3ono  
560 H3BO3 Boric acid h3bo3  
561 H3CO3+ carbonic acid, protonated h3co3+  
562 C3H4O 2-Propyn-1-ol c107197  
563 C3H4O allenol c9000071  
564 C3H4O Cyclopropanone cpone  
565 C3H4O Methylketene c6004440  
566 NH2CONH2+ Urea cation urea+  
567 NH2CSNH2 Thiourea thiourea  
568 C2H4O2 1,3-dioxetane c2h4o2  
569 CH3COOH Acetic acid ch3cooh  
570 CH3OCHO methyl formate ch3ocho  
571 CHOCH2OH hydroxy acetaldehyde haa  
572 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
573 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
574 HCOOHH2O Formic acid water dimer hcoohh2o  
575 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
576 CH3CONH2 Acetamide acetamide  
577 C2H5OO ethylperoxy radical c2h5oo  
578 C3H6O Propylene oxide prox  
579 C3H6S Thietane thietane  
580 C3H6S Thiirane, methyl- methiirane  
581 CH3CSCH3 Thioacetone ch3csch3  
582 C2H6O2 1,2-Ethanediol ethdiol  
583 CH3OOCH3 dimethylperoxide dmp  
584 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
585 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
586 CH3COHCH3+ acetone, protonated acetoneh+  
587 CH3CHOHCH3 Isopropyl alcohol isoproh  
588 C3H7SH 1-Propanethiol prsh  
589 CH3CHSHCH3 2-Propanethiol isoprsh  
590 CH3SCH2CH3 Ethane, (methylthio)- etsme  
591 H2OCH3OCH3 water dimethylether dimer h2och3och3  
592 Na2F2 Sodium Fluoride Dimer na2f2  
593 Na2Cl2 Disodium dichloride na2cl2  
594 C2F2 difluoroacetylene c2f2  
595 C2Cl2 dichloroacetylene c2cl2  
596 C2Cl2+ dichloroacetylene cation c2cl2+  
597 ClNO2 Nitryl chloride clno2  
598 BrONO Bromine nitrite brono  
599 N2F2 (Z)-Difluorodiazene n2f2_z  
600 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
601 COFCl Carbonic chloride fluoride cofcl  
602 CCl2O Phosgene cl2co  
603 Cl2CS Thiophosgene cl2cs  
604 COBr2 Carbonic dibromide cobr2  
605 BF3 Borane, trifluoro- bf3  
606 BF3- Borane, trifluoro- anion bf3-  
607 AlF3 Aluminum trifluoride alf3  
608 AlF2Cl Aluminum chloride difluoride alclf2  
609 AlFCl2 Aluminum dichloride fluoride alcl2f  
610 AlCl3 Aluminum trichloride alcl3  
611 BBr3 Boron tribromide bbr3  
612 AlBr3 Aluminum Bromide albr3  
613 ClO3 Chlorine trioxide clo3  
614 ClO3- chlorate anion clo3-  
615 BrO3- Bromate anion bro3-  
616 CF3 Trifluoromethyl radical cf3  
617 CCl3 Trichloromethyl radical ccl3  
618 CCl3- Trichloromethyl anion ccl3-  
619 CCl3+ Trichloromethyl cation ccl3+  
620 SiCl3 trichlorosilyl radical sicl3  
621 SiCl3+ trichlorosilyl cation sicl3+  
622 FOOF Perfluoroperoxide foof  
623 F2SO Thionyl Fluoride f2so  
624 FSSF Difluorodisulfane fssf  
625 S2F2 Thio-thionyl fluoride s2f2  
626 SOCl2 thionyl chloride socl2  
627 SeOCl2 selenium oxychloride seocl2  
628 NF3- Nitrogen trifluoride anion nf3-  
629 NF3+ Nitrogen trifluoride cation nf3+  
630 PF3 Phosphorus trifluoride pf3  
631 AsF3 Arsenic trifluoride asf3  
632 PCl3 Phosphorus trichloride pcl3  
633 PBr3 Phosphorus tribromide pbr3  
634 AsBr3 Arsenic tribromide asbr3  
635 ClSSCl Disulfur dichloride s2cl2  
636 SF3 Sulfur trifluoride sf3  
637 BrF3 Bromine trifluoride brf3  
638 CHF2Cl difluorochloromethane chf2cl  
639 CHFCl2 fluorodichloromethane chfcl2  
640 CDCl3 trichloromethane-d cdcl3  
641 SiHCl3 Trichlorosilane sihcl3  
642 CHCl2I dichloroiodomethane chcl2i  
643 CHClBr2 Methane, dibromochloro- chclbr2  
644 CHBr3 bromoform chbr3  
645 CHI3 Iodoform chi3  
646 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
647 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
648 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
649 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
650 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
651 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
652 C2H2Br2 1,1-dibromoethene c2h2br2  
653 CH2FCHO Fluoroacetaldehyde ch2fcho  
654 CH3COF Acetyl fluoride ch3cof  
655 CH2ClCHO chloroacetaldehyde ch2clcho  
656 CH3COCl Acetyl Chloride ch3cocl  
657 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
658 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
659 CH2CFCH3 2-fluoropropene 2fpro  
660 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
661 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
662 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
663 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
664 CH3CH2CH2Br n-propyl bromide prbr  
665 CH3CHBrCH3 i-propyl bromide iprbr  
666 C3H9O+ trimethyl oxonium cation c3h9o+  
667 C5H5 cyclopentadienyl radical c5h5  
668 C5H5- cylopentadienyl anion c5h5-  
669 C5H6 1,3-Cyclopentadiene c542927  
670 C5H6 1-Buten-3-yne, 2-methyl- c78808  
671 C5H6 3-Penten-1-yne, (E)- c2004695  
672 C5H6 3-Penten-1-yne, (Z)- c1574409  
673 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
674 C5H6 Cyclopropylacetylene c6746947  
675 C5H7 1,3-pentadienyl radical pdyl  
676 C5H7 cyclopentenyl radical cpyl  
677 C5H8 1,2-Butadiene, 3-methyl- c598254  
678 C5H8 1,2-Pentadiene c591957  
679 C5H8 1,3-Butadiene, 2-methyl- c78795  
680 C5H8 1,3-Pentadiene, (E)- c2004708  
681 C5H8 1,3-Pentadiene, (Z)- c1574410  
682 C5H8 1,4-Pentadiene c591935  
683 C5H8 1-pentyne a1pentyne  
684 C5H8 2,3-Pentadiene c591968  
685 C5H8 Cyclobutane, methylene- c1120565  
686 C5H8 Cyclopentene c142290  
687 CH3CCCH2CH3 2-Pentyne 2pentyne  
688 C5H10 1-Butene, 2-methyl- c563462  
689 C5H10 2-Butene, 2-methyl- c513359  
690 C5H10 2-Pentene, (E)- c646048  
691 C5H10 2-Pentene, (Z)- c627203  
692 C5H10 Cyclopentane c287923  
693 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
694 CH2CHCH2CH2CH3 1-pentene pentene  
695 C5H11 2-Methylbut-2-yl radical c4348350  
696 C5H12 Butane, 2-methyl- buta2  
697 C5H12 Pentane pentane  
698 C5H12 Propane, 2,2-dimethyl- neopentane  
699 Si(CH3)4 tetramethylsilane tms  
700 N2O3 Dinitrogen trioxide n2o3  
701 C3H2N2 Malononitrile c3h2n2  
702 C2H3N3 1H-1,2,4-Triazole c288880  
703 C3H4N2 1H-Pyrazole 1hpyraz  
704 C4H5N (E)-2-Butenenitrile c627269  
705 C4H5N (Z)-2-Butenenitrile c1190767  
706 C4H5N 2H-pyrrole pyrrole2  
707 C4H5N 3H-pyrrole pyrrole3  
708 C4H5N Cyclopropanecarbonitrile c5500210  
709 CH2CHCH2CN Allylcyanide ch2chch2cn  
710 C3H6N2 3-Aminopropionitrile c151188  
711 C5H8 Bicyclo[2.1.0]pentane c185944  
712 C5H8 Spiropentane c157404  
713 C4H9N Cyclobutylamine cbam  
714 C4H9N Pyrrolidine pyrrolidine  
715 C3H10N2 1,2-Diaminopropane diampr12  
716 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
717 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
718 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
719 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
720 NC4H12+ tetramethyl ammonium cation nc4h12+  
721 C3O2+ Carbon suboxide cation c3o2+  
722 CaCO3 Calcium Carbonate caco3  
723 ONONO Nitrosyl nitrite onono  
724 PO4--- phosphate po4---  
725 SO4-- sulfate so4--  
726 HOONO2 peroxy nitric acid hoono2  
727 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
728 C3H2O2 Propiolic acid c3h2o2  
729 CHOCOOH oxo acetic acid oaa  
730 H2SO4 Sulfuric acid h2so4  
731 H2SeO4 Selenic acid h2seo4  
732 CH3C(O)OO acetyl peroxy radical ch3coo2  
733 CH3NO3 Methyl nitrate ch3no3  
734 H3PO4 Phosphoric Acid h3po4  
735 C4H4O+ Furan cation furan+  
736 C4H4S Thiophene furans  
737 C3H4O2 β–Propiolactone beta  
738 C3H4O2 2-Propenoic acid propenoic2  
739 C3H4O2 Methyl glyoxal megly  
740 C3H4O2 propanedial propanedial  
741 C3H4O2 propenalol propenalol  
742 HOCHCCHOH allenediol aldiol  
743 C2H4O3 1,2,3-trioxolane c2h4o3  
744 C2H4O3 trioxolane124 triox  
745 HOCH2COOH Hydroxyacetic acid hac  
746 CH2CHCONH2 Acrylamide c79061  
747 CH5N3S Hydrazinecarbothioamide c79196  
748 H2NCH2COOH Glycine glycine  
749 C4H6O cis-2-butenal butenal2c  
750 C4H6O Cyclobutanone cbutone  
751 C4H6O Furan, 2,3-dihydro- furan23h  
752 C4H6O Furan, 2,5-dihydro- furan25h  
753 CH2CHOCHCH2 Vinyl ether vinylether  
754 CHOCHCHCH3 2-Butenal butenal2  
755 C4H6S Thiophene, 2,3-dihydro- thiop23h  
756 C4H6S Thiophene, 2,5-dihydro- thiop25h  
757 C2H6N2O Urea, methyl- c598505  
758 C3H6O2 1,3-Dioxolane dioxolane  
759 CH3COOCH3 methyl acetate aame  
760 CH3SSSCH3 dimethyl trisulfide c2h6s3  
761 C3H7NO dimethylformamide dmf  
762 C3H7NO Propanamide propanam  
763 C2H3OC2H5 Ethene, ethoxy- c109922  
764 C4H8O Cyclobutanol c2919235  
765 C4H8O Furan, tetrahydro- thf  
766 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
767 CH3COCH2CH3 2-Butanone buta2one  
768 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
769 CHOCH2CH2CH3 Butanal butanal  
770 C3H8O2 1,3-Propanediol c504632  
771 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
772 C3H8O2 Methane, dimethoxy- c109875  
773 C3H8O2 Propylene glycol c57556  
774 C3H8S2 1,3-Propanedithiol c109808  
775 C4H10O 1-Propanol, 2-methyl- c78831  
776 C4H10O 2-Butanol, (.+/-.)- butanol2  
777 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
778 C4H10O Propane, 2-methoxy- c598538  
779 C4H10O+ 1-Butanol cation butanol1+  
780 C2H5SC2H5 Diethyl sulfide etset  
781 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
782 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
783 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
784 FNO3 Fluorine nitrate fno3  
785 ClONO2 Chlorine nitrate clono2  
786 TiCl4 Titanium tetrachloride ticl4  
787 ClO4- perchlorate anion clo4-  
788 BF4- tetrafluoroboron anion bf4-  
789 ClFO3 Perchloryl fluoride clfo3  
790 SO2F2 Sulfuryl fluoride so2f2  
791 SO2Cl2 Sulfuryl chloride so2cl2  
792 F3NO Nitrogen trifluoride oxide f3no  
793 F3PO Phosphoryl fluoride pf3o  
794 Cl3PO Phosphoryl chloride pcl3o  
795 CF4 Carbon tetrafluoride cf4  
796 SiF4 Silicon tetrafluoride sif4  
797 CFCl3 Trichloromonofluoromethane cfcl3  
798 CCl4+ Carbon tetrachloride cation ccl4+  
799 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
800 SiCl4 Silane, tetrachloro- sicl4  
801 CF3I trifluoroiodomethane cf3i  
802 CBrCl3 Methane, bromotrichloro- cbrcl3  
803 CBr2F2 Methane, dibromodifluoro- cbr2f2  
804 GeCl4 Germanium Tetrachloride gecl4  
805 CBr3I tribromoiododmethane cbr3i  
806 C2HF3 Trifluoroethylene c2hf3  
807 C2HF3+ Trifluoroethylene cation c2hf3+  
808 CHClCCl2 Trichloroethylene chclccl2  
809 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
810 HClO4 perchloric acid hclo4  
811 HSO3F Fluorosulfonic acid hso3f  
812 CF3OH trifluoromethanol cf3oh  
813 CHClCCHCl 1,3-dichloroallene chclcchcl  
814 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
815 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
816 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
817 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
818 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
819 SiCl3CH3 methyltrichlorosilane sicl3ch3  
820 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
821 NH3BCl3 Amminetrichloroboron nh3bcl3  
822 C3H5ClO Oxirane, (chloromethyl)- c106898  
823 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
824 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
825 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
826 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
827 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
828 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
829 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
830 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
831 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
832 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
833 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
834 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
835 C4H9F 1-fluorobutane butaf1  
836 CH3CHFCH2CH3 2-fluorobutane butaf2  
837 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
838 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
839 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
840 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
841 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
842 C6H4 Benzyne benzyne  
843 C6H5 phenyl phenyl  
844 C6H5- phenyl anion phenyl-  
845 C6H6 2,4-Hexadiyne hexadiyne  
846 C6H6 3,4-Dimethylenecyclobutene cb34m  
847 C6H6+ Benzene cation c6h6+  
848 C6H8 (E)-hexa-1,3,5-triene c821078  
849 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
850 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
851 C6H8 1,3-Cyclohexadiene cyhexadiene13  
852 C6H8 1,4-Cyclohexadiene cyhexadiene14  
853 C6H8 3-Methylenecyclopentene c930267  
854 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
855 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
856 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
857 C6H10 1,3-Hexadiene, (E)- hexdi13e  
858 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
859 C6H10 1,4-Hexadiene, (E)- hexdi14t  
860 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
861 C6H10 1-Butyne, 3,3-dimethyl- c917920  
862 C6H10 1-Hexyne hexyne1  
863 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
864 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
865 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
866 C6H10 2-Hexyne c764352  
867 C6H10 cyclohexene cyclohexene  
868 C6H10 Cyclopentene, 1-methyl- c693890  
869 C6H10 Cyclopentene, 3-methyl- c1120623  
870 C6H10 Cyclopentene, 4-methyl- c1759815  
871 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
872 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
873 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
874 C6H12 (E)-2-Hexene e2hexene  
875 C6H12 (E)-3-methylpent-2-ene c616126  
876 C6H12 (Z)-3-methylpent-2-ene c922623  
877 C6H12 (Z)-hex-2-ene z2hexene  
878 C6H12 2,3-dimethyl-but-2-ene tmeet  
879 C6H12 3-methylenepentane c760214  
880 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
881 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
882 C6H12 Cyclohexane cyclohexane  
883 C6H12 Cyclopentane, methyl- c96377  
884 C6H12 Ethylcyclobutane c4806615  
885 C6H14 Butane, 2,2-dimethyl- buta22  
886 C6H14 Butane, 2,3-dimethyl- buta23  
887 C6H14 Hexane hexane  
888 C6H14 Pentane, 2-methyl- penta2  
889 C6H14 Pentane, 3-methyl- penta3  
890 C4N2 2-Butynedinitrile c4n2  
891 C2H2N4 sym-tetrazine ttz  
892 C3H3N3 1,3,5-Triazine triazine135  
893 CH3N5 5-Aminotetrazole c4418615  
894 C4H4N2 1,3-Diazine diazine13  
895 C4H4N2 Pyrazine pyrazine  
896 C4H4N2 Pyridazine pyridazine  
897 C4H4N2 Succinonitrile c110612  
898 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
899 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
900 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
901 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
902 C5H5N E-2,4-pentadienenitrile bdcn  
903 C5H5N Pyridine pyridine  
904 B3N3H6 borazine borazine  
905 C6H6 Fulvene fulvene  
906 C4H6N2 1H-Imidazole, 2-methyl- c693981  
907 C5H7N (E)-2-Pentenenitrile c26294984  
908 C5H7N (E)-3-Pentenenitrile c16529661  
909 C5H7N (Z)-2-Pentenenitrile c25899507  
910 C5H7N 1H-Pyrrole, 1-methyl- c96548  
911 C5H7N Cyclobutanecarbonitrile c4426113  
912 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
913 C5H9N Butanenitrile, 2-methyl- c18936179  
914 C5H9N Pentanenitrile c110598  
915 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
916 C6H10 Bicyclo[3.1.0]hexane c285585  
917 C5H11N Cyclopentanamine cypentam  
918 C5H11N Piperidine piper  
919 C4H12N2 1,2-Butanediamine c4426486  
920 C4H12N2 2-Methyl-1,2-propanediamine c811938  
921 Li2CO3 Lithium Carbonate li2co3  
922 Na2CO3 Sodium Carbonate na2co3  
923 C2O4-- oxalate anion c2o4  
924 C2H3NO3 Oxamic acid oxamic  
925 C4H4O2 2(5H)-Furanone furanone  
926 C4H4O2 2-Oxetanone, 4-methylene- c674828  
927 C2H4N2O2 Oxalamide oxalamide  
928 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
929 C3H4S3 1,3-Dithiolane-2-thione c822388  
930 C4H5NO 3-Methylisoxazole isox3m  
931 C4H5NO Isoxazole, 5-methyl- c5765446  
932 C4H5NS 4-Methylthiazole c693958  
933 C5H6O 2-methylfuran furan2m  
934 C5H6O 3-Methylfuran furan3m  
935 C5H6S Thiophene, 2-methyl- c554143  
936 C5H6S Thiophene, 3-methyl- c616444  
937 C4H6O2 2,3-Butanedione c431038  
938 C4H6O2 2-Propenoic acid, methyl ester c96333  
939 C4H6O2 Crotonic Acid crot  
940 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
941 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
942 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
943 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
944 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
945 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
946 C4H6OS Vinyl sulfoxide c1115157  
947 CH6N4S Carbonothioic dihydrazide thiacarb  
948 C2H6N2O2 (E)-Azodioxymethane c37765154  
949 C2H6N2O2 Dimethylnitroamine c4164287  
950 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
951 C2H6O3S Sulfurous acid, dimethyl ester c616422  
952 C4H7NO 2-Pyrrolidinone c616455  
953 C4H7NO Ethoxyacetonitrile etoaccn  
954 C4H7NO Methacrylamide c79390  
955 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
956 HCONH2CN2H4 formamide aminomethanimine dimer d13  
957 C3H7ONO Propyl nitrite prono  
958 CH3CH(CH3)ONO Isopropyl nitrite c541424  
959 CH3CH(NH2)COOH Alanine alanine  
960 CH3NHCH2COOH Sarcosine sarcosine  
961 NH2CH2CH2COOH β–alanine betaalanine  
962 NH2COOC2H5 Urethane urethane  
963 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
964 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
965 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
966 NH2CONHC2H5 Urea, ethyl- c625525  
967 C4H8O2 1,3-Dioxane dioxan13  
968 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
969 C4H8O2 1,4-Dioxane dioxan14  
970 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
971 C4H8OS s-Ethyl thioacetate c625605  
972 C3H8O3 1,2,3-Propanetriol glycerin  
973 C3H8O2S (Methylsulfonyl)ethane c594434  
974 C4H9NO Butanamide c541355  
975 C4H9NO Propanamide, 2-methyl- c563837  
976 C5H10O 2-Butanone, 3-methyl- c563804  
977 C5H10O 2H-Pyran, tetrahydro- c142687  
978 C5H10O 2-Pentanone mpk  
979 C5H10O Cyclopentanol c96413  
980 C5H10O Oxetane, 3,3-dimethyl- c6921353  
981 C5H10O Pentanal pal  
982 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
983 C5H10S 3-Ethylthio-1-propene c5296628  
984 C5H10S Cyclopentanethiol c1679078  
985 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
986 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
987 C4H10O2 1,1-Dimethoxyethane c534156  
988 C4H10O2 1,3-Butanediol budiol13  
989 C4H10O2 1,4-Butanediol budiol14  
990 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
991 C4H10OS Diethyl sulfoxide c70291  
992 C4H10S2 1,4-Butanedithiol budisl14  
993 C4H11NO Diethylhydroxylamine c3710847  
994 C5H12O 1-Butanol, 2-methyl- c137326  
995 C5H12O 1-Butanol, 3-methyl- c123513  
996 C5H12O 1-Pentanol pentanol1  
997 C5H12O 2-Butanol, 3-methyl- c598754  
998 C5H12O 2-Pentanol peol2  
999 C5H12O 3-Pentanol pentan3ol  
1000 C5H12O Butane, 1-methoxy- meobu  
1001 C5H12O Propane, 1-ethoxy- proet  
1002 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1003 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1004 C5H12S 1-Butanethiol, 3-methyl- c541311  
1005 C5H12S 1-Pentanethiol c110667  
1006 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1007 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1008 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1009 C5H12S Butane, 1-(methylthio)- c628295  
1010 C5H12S Ethyl propyl sulfide c4110503  
1011 C5H12S Propane, 2-(ethylthio)- c5145993  
1012 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1013 CF3CN Acetonitrile, trifluoro- cf3cn  
1014 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1015 B2F4 Diboron tetrafluoride b2f4  
1016 C2F4 Tetrafluoroethylene c2f4  
1017 C2F4+ Tetrafluoroethylene cation c2f4+  
1018 C2FCl3 fluorotrichloroethene c2fcl3  
1019 C2Cl4 Tetrachloroethylene c2cl4  
1020 AsF5 Arsenic pentafluoride asf5  
1021 PCl5 Phosphorus pentachloride pcl5  
1022 SF5 Sulfur pentafluoride sf5  
1023 SbCl5 Antimony pentachloride sbcl5  
1024 BrF5 bromine pentafluoride brf5  
1025 ClF5 chlorinepentafluoride clf5  
1026 CF3CHO trifluoroacetaldehyde cf3cho  
1027 CCl3CHO trichloroacetaldehyde ccl3cho  
1028 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1029 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1030 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1031 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1032 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1033 C4H8Cl2 1,4-Dichlorobutane c110565  
1034 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1035 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1036 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1037 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1038 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1039 C5H11Cl Pentane, 1-chloro- pencl1  
1040 C6H5CH2 benzyl radical benzyl  
1041 C6H5CH3 toluene toluene  
1042 C7H8 cycloheptatriene cht  
1043 C7H8 Norbornadiene norbor  
1044 C7H8 Quadricyclane qucy  
1045 C7H12 Norbornane nor  
1046 C7H14 cycloheptane c7h14  
1047 C7H16 2-methylhexane 2mhex  
1048 C7H16 3-methylhexane hex3m  
1049 C7H16 heptane heptane  
1050 C6H7N 2-Methylpyridine mp  
1051 C6H5NH2 aniline aniline  
1052 C6H13N 2-Methylpiperidine pip2m  
1053 C6H13N cyclohexanamine cham  
1054 C6H15N triethylamine tea  
1055 N2O5 Dinitrogen pentoxide n2o5  
1056 C4H2O3 Maleic Anhydride malan  
1057 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1058 C6H5O phenoxy radical phenoxy  
1059 C5H5NO 2(1H)-Pyridinone c72762006  
1060 C5H5NO 2(3H)-Pyridinone c9000048  
1061 C5H5NO 2(5H)-Pyridinone c9000037  
1062 C5H5NO 2-Pyridinol c109104  
1063 C5H5NO 3(2H)-Pyridinone c9000004  
1064 C5H5NO 3(4H)-Pyridinone c9000026  
1065 C5H5NO 3(6H)-Pyridinone c9000015  
1066 C5H5NO 3-Pyridinol c109002  
1067 C5H5NO 4(1H)-Pryidinone c9000060  
1068 C5H5NO 4(3H)-Pryidinone c9000059  
1069 C5H5NO 4-Pyridinol c626642  
1070 C6H5OH phenol phenol  
1071 C6H6O 2,4-Cyclohexadienone c24599573  
1072 C6H5SH Benzenethiol phsh  
1073 C4H8O2S Sulfolane sulfolane  
1074 CH(C2H3)3 trivinyl methane tvm  
1075 C6H10O cyclohexanone chexo  
1076 C6H12O hexanal c6h12o  
1077 C3H7OC3H7 di-n-propyl ether propr  
1078 CF3COCl trifluoroacetyl chloride cf3cocl  
1079 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1080 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1081 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1082 CCl3CHCl2 pentachloroethane ccl3chcl2  
1083 C6H5F Fluorobenzene bzf  
1084 C6H5Cl chlorobenzene bzcl  
1085 C6H5Br bromobenzene bzbr  
1086 C6H5CCH phenylacetylene phac  
1087 C8H6 benzocyclobutadiene bcbd  
1088 C8H6 Pentalene pentalene  
1089 C6H5CHCH2 Styrene styrene  
1090 C8H8 cyclooctatetraene cot  
1091 C6H5CH2CH3 Ethylbenzene etbz  
1092 CH3C6H4CH3 meta-xylene mxylene  
1093 CH3C6H4CH3 paraxylene pxylene  
1094 C8H18 Octane c8h18  
1095 C6H5CN phenyl cyanide phcn  
1096 C4O4-- squarate dianion c4o4--  
1097 S8 Octasulfur s8  
1098 C6H4O2 parabenzoquinone pbq  
1099 C4H4N2O2 Uracil uracil  
1100 C6H5OCH3 Anisole anisole  
1101 C6H12O2 Methyl pivalate c598981  
1102 C6H12O2 Hexanoic acid hexa  
1103 C4F4 tetrafluorcyclobutadiene c4f4  
1104 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1105 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1106 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1107 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1108 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1109 C2F6 hexafluoroethane c2f6  
1110 IF7 Iodine heptafluoride if7  
1111 C6H4F2 metadifluorobenzene mdfb  
1112 C6H4F2 orthodifluorobenzene odfb  
1113 C9H8 Indene indene  
1114 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1115 C9H12 n-propyl benzene prbz  
1116 C5H4N4 purine purine  
1117 C8H7N Indole indole  
1118 C6H5NO2 Nitrobenzene c6h5no2  
1119 C6H5COOH benzoic acid benzo  
1120 CH3COC6H5 acetophenone acph  
1121 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1122 C10H16 adamantane adamantane  
1123 C6N4 Tetracyanoethylene tcne  
1124 C6N4- tetracyanoethylene anion tcne-  
1125 C4F6 perfluorobutadiene c4f6  
1126 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1127 C3F8 perfluoropropane c3f8  
1128 Fe(CO)5 Iron pentacarbonyl ipc  
1129 Fe(C5H5)2 ferrocene fecp2  
1130 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1131 C12H8 Acenaphthylene acenaph  
1132 C12H10 biphenyl biphenyl  
1133 C12H10 Heptalene heptalene  
1134 C6F6 hexafluorobenzene c6f6  
1135 C14H10 Anthracene anth  
1136 C14H10 Phenanthrene phenanthrene  
1137 C16H10 Pyrene pyrene  
1138 C18H12 Tetracene tetracene