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List of which calculations are completed at B2PLYP=FULL /6-311G*

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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 1SKh
7 He Helium atom   
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 BeH beryllium monohydride 2ΣC∞v
16 MgH magnesium monohydride 2ΣC∞v
17 TiH Titanium monohydride 4ΦC∞v
18 ZnH+ Zinc, protonated   
19 BeH2+ Beryllium dihydride cation   
20 MgH2 magnesium dihydride 1ΣgD∞h
21 Al Aluminum atom 2PKh
22 Al- Aluminum atom anion 3PKh
23 Al+ Aluminum atom cation 1SKh
24 Sc Scandium atom 2DKh
25 Sc+ Scandium cation 3DKh
26 Ga Gallium atom 2P 
27 Ga- Gallium atom anion 3POh
28 Ga+ Gallium atom cation 1S 
29 BH Boron monohydride 1ΣC∞v
30 BH Boron monohydride 3ΠC∞v
31 ScH Scandium monohydride 1ΣC∞v
32 ScH+ Scandium monohydride cation 2ΣC∞v
33 GaH Gallium monohydride 1ΣC∞v
34 GaH+ Gallium monohydride cation 2ΣC∞v
35 BH3+ boron trihydride cation 2B2C2v
36 BH3+ boron trihydride cation  C2v
37 AlH3 aluminum trihydride 1A1'D3h
38 AlH3- aluminum trihydride anion  C3v
39 ScH3 Scandium trihydride 1A1'D3h
40 ScH3 Scandium trihydride 1A1C3v
41 BH4 borohydride 2B2C2v
42 BH4- borohydride anion 1A1Td
43 C Carbon atom 3P0Kh
44 C- Carbon atom anion 2DKh
45 Si Silicon atom 3PKh
46 Si Silicon atom 1SKh
47 Si- Silicon atom anion 4SKh
48 Ge Germanium atom 3PKh
49 Ge- Germanium anion 4SKh
50 Ge+ Germanium cation 2PKh
51 CH Methylidyne 2Π1/2C∞v
52 SiH Silylidyne 2ΠC∞v
53 SiH+ silicon monohydride cation 1ΣC∞v
54 GeH germylidene 2ΠC∞v
55 GeH+ Germaniun monohyrdide cation 1ΣC∞v
56 CH2 Methylene 3B1C2v
57 CH2 Methylene 3ΣGD∞h
58 CH2 Methylene 1A1C2v
59 CH2- methylene anion 2B1C2v
60 CH2+ methylene cation 2A1C2v
61 CH2+ methylene cation 2ΠD∞h
62 GeH2 germylene 1A1C2v
63 CH3 Methyl radical 2A1D3h
64 CH3- methyl anion 1A1C3v
65 CH3+ methyl cation 1A1'D3h
66 SiH3 Silyl radical 2A1C3v
67 SiH3+ Silyl cation 1A1'D3h
68 GeH3 Germyl radical 2A1C3v
69 GeH3+ germyl cation 1A1'D3h
70 CH4 Methane 1A1Td
71 CH4- Methane anion 2A1Td
72 CH4- Methane anion 2A1C3v
73 SiH2D2 silane-d2   
74 SiH4 Silane 1A1Td
75 GeH4 Germane 1A1Td
76 SiH5+ Silane, protonated   
77 N Nitrogen atom 4SKh
78 P Phosphorus atom 4SKh
79 V Vanadium atom 4FKh
80 V+ Vanadium atom cation 5DKh
81 As Arsenic atomic 4SKh
82 As- Arsenic anion 3PKh
83 As+ Arsenic cation 3PKh
84 PH phosphorus monohydride 3Σ-C∞v
85 AsH Arsenic monohydride 3ΣC∞v
86 NH2 Amino radical 2B1C2v
87 NH2+ Amino cation 3B1C2v
88 NH2+ Amino cation 1A1C2v
89 NH3 Ammonia 1A1C3v
90 NH3- Ammonia anion 2A1C3v
91 NH3+ ammonia cation 2A2"D3h
92 PH3 Phosphine 1A1C3v
93 PH3+ Phosphine cation 2A1C3v
94 AsH3 Arsine 1A1C3v
95 AsH3+ Arsine cation 2A1C3v
96 AsH4+ Arsonium   
97 NH4 Ammonium radical   
98 NH4+ ammonium cation 1A1Td
99 PH4 Phosphoranyl radical   
100 PH4+ phosphonium cation   
101 O Oxygen atom 3SKh
102 S Sulfur atom 3PKh
103 S Sulfur atom   
104 S- Sulfur atom anion 2PKh
105 S+ Sulfur atom cation 4SKh
106 Se Selenium atom 3PKh
107 Se- Selenium atom anion 2PKh
108 Se+ Selenium atom cation 4SKh
109 OH Hydroxyl radical 2ΠC∞v
110 OH- hydroxide anion 1ΣC∞v
111 OH+ hydoxyl cation 3ΣC∞v
112 HS Mercapto radical 2ΠC∞v
113 HS- mercapto anion 1ΣC∞v
114 HS+ sulfur monohydride cation 3ΣC∞v
115 CrH Chromium hydride 6ΣC∞v
116 CrH+ Chromium hydride cation 5ΣC∞v
117 HSe Selenium monohydride 2ΠC∞v
118 HSe- selenium monohydride anion 1ΣC∞v
119 HSe+ selenium monohydride cation 3ΣC∞v
120 H2O Water 1A1C2v
121 H2O- water anion 2A1C2v
122 H2O- water anion 2A'Cs
123 H2O+ water cation 2B1C2v
124 HDO Water-d1 1A1C2v
125 H2S Hydrogen sulfide 1A1C2v
126 H2S+ Hydrogen sulfide cation 2B1C2v
127 H2Se Hydrogen selenide 1A1C2v
128 H2Se+ Hydrogen selenide cation 2B1C2v
129 H3O+ hydronium cation 1A1C3v
130 H3S+ Sulfonium cation 1A1C3v
131 H3Se+ Hydrogen Selenide, protonated 1A1C3v
132 F Fluorine atom 2PKh
133 F- Fluorine atom anion 1SKh
134 F+ Fluorine atom cation 3SKh
135 F+ Fluorine atom cation 1DKh
136 Cl Chlorine atom 2PKh
137 Cl- Chlorine atom anion 1SKh
138 Cl+ Chlorine atom cation 3PKh
139 Cl+ Chlorine atom cation 1DKh
140 Br Bromine atom 2PKh
141 Br- Bromine atom anion 1SKh
142 Br+ Bromine atom cation 3PKh
143 HF Hydrogen fluoride 1ΣC∞v
144 HF- hydrogen fluoride anion 2ΣC∞v
145 HF+ hydrogen fluoride cation 2ΠC∞v
146 HCl Hydrogen chloride 1ΣC∞v
147 HCl- hydrogen chloride anion 2ΣC∞v
148 HCl+ hydrogen chloride cation 2ΠC∞v
149 HBr hydrogen bromide 1ΣC∞v
150 HBr- hydrogen bromide anion 2ΣC∞v
151 HBr+ hydrogen bromide cation 2ΠC∞v
152 HI+ Hydrogen iodide cation   
153 H2Cl+ dihydrogen monochloride cation 1A1C2v
154 H2Br+ protonated hydrogen bromide 2A1C2v
155 H2I+ Iodonium   
156 Ne Neon atom 1SKh
157 Ne Neon atom   
158 Kr Krypton atom 1SKh
159 Kr+ Krypton cation 2PKh
160 HeLi+ Helium Lithium cation   
161 NeH neon hydrogen 2ΣC∞v
162 ArH+ Argon hydride cation 1ΣC∞v
163 KrH+ Protonated Krypton 1ΣC∞v
164 H2Ar H2 Ar dimer 1ΣC∞v
165 NaLi lithium sodium 1ΣC∞v
166 Na2 Sodium diatomic 1ΣgD∞h
167 Na2- sodium diatomic anion 2ΣuD∞h
168 Na2+ sodium diatomic cation 2ΣgD∞h
169 NaK+ Sodium Potassium diatomic cation 1
170 Be2 Beryllium diatomic 1ΣgD∞h
171 BeMg Beryllium Magnesium 1ΣC∞v
172 LiB Lithium boride 3ΠC∞v
173 LiAl Lithium Aluminum   
174 NaAl Sodium aluminum 1ΣC∞v
175 BeB Beryllium monoboride 2ΠC∞v
176 B2 Boron diatomic 3ΣgD∞h
177 B2 Boron diatomic 1ΣgD∞h
178 B2 Boron diatomic 5ΣuD∞h
179 B2+ Boron diatomic cation 2ΠD∞h
180 BAl Boron Aluminum 3ΣC∞v
181 BGa Boron Gallium 3ΣC∞v
182 AlGa Aluminum Gallium 3ΣC∞v
183 AlGa Aluminum Gallium 1ΣC∞v
184 Ga2 Gallium diatomic 3Piu 
185 HBBH Diborane(2) 3ΣGD∞h
186 B2H4 Diborane(4) D2d 1A1D2d
187 HBHHBH Diborane(4) C2V 1A1C2v
188 B2H6 Diborane 1AgD2h
189 B2H6+ Diborane cation   
190 Al2H6 dialane 1AGD2h
191 Ga2H6 digallane 1AGD2h
192 BeC Beryllium Carbide 3Σ-C∞v
193 BeC Beryllium Carbide   
194 CaC Calcium monocarbide   
195 AlC Aluminum carbide 4ΣC∞v
196 BSi Boron silicide 4ΣC∞v
197 BSi Boron silicide 2ΣC∞v
198 C2 Carbon diatomic 1Σg+D∞h
199 C2 Carbon diatomic 3Σg- 
200 C2+ carbon diatomic cation 4ΣgD∞h
201 SiC silicon monocarbide 3ΣC∞v
202 SiC silicon monocarbide 1ΣC∞v
203 GeC Germanium monocarbide 1ΣC∞v
204 SiGe Silicon Germanium   
205 C2H Ethynyl radical 2ΣC∞v
206 C2H- Ethynyl anion 1ΣC∞v
207 C2H2 Acetylene 1ΣgD∞h
208 C2H2+ acetylene cation 2ΠuD∞h
209 C2H2+ acetylene cation   
210 H2CC- vinylidene anion   
211 HCCH- acetylene anion   
212 HCCH- acetylene anion   
213 Si2H2 disilyne   
214 Si2H2 disilyne   
215 Si2H2 disilyne   
216 Si2H2 disilyne   
217 CH3Li methyl lithium 1A1C3v
218 CH2BH methyleneborane 1A1C2v
219 C2H3 vinyl 2A'Cs
220 C2H3- vinyl anion 1A'Cs
221 C2H3+ vinyl cation 1A1C2V bridging H
222 C2H3+ vinyl cation 1A1C2V HCCH2
223 C2H4 Ethylene 1AgD2h
224 C2H4- Ethylene anion 2AgC2h
225 C2H4+ Ethylene cation 2B3D2
226 Si2H4 Disilene   
227 Si2H4 Disilene   
228 Si2H4 Disilene   
229 CH3BH2 methylborane 1A'Cs
230 C2H5 Ethyl radical 2A'Cs
231 C2H6 Ethane 1A1gD3d
232 Si2H6 disilane 1EuD3d
233 LiN Lithium Nitride 3ΣC∞v
234 LiP Lithium monophosphide   
235 LiP Lithium monophosphide   
236 BeN+ Beryllium mononitride cation 3ΣC∞v
237 BeN+ Beryllium mononitride cation 1ΣC∞v
238 MgN Magnesium Nitride   
239 MgN Magnesium Nitride   
240 BP Boron monophosphide 3ΠC∞v
241 BP Boron monophosphide 1ΣC∞v
242 AlP Aluminum monophosphide 3ΣC∞v
243 AlP Aluminum monophosphide 3ΠC∞v
244 AlP Aluminum monophosphide 1ΣC∞v
245 GaP Gallium monophosphide 3ΣC∞v
246 GaP Gallium monophosphide 1ΣC∞v
247 GaAs Gallium arsenide 3Π 
248 GaAs Gallium arsenide 1Σ 
249 BN boron nitride 3ΠC∞v
250 BN boron nitride 1ΣC∞v
251 CN Cyano radical 2ΣC∞v
252 CN- cyanide anion 1ΣC∞v
253 SiP Silicon monophosphide 2ΠC∞v
254 N2 Nitrogen diatomic 1ΣgD∞h
255 N2 Nitrogen diatomic   
256 N2- nitrogen diatomic anion 2ΠgD∞h
257 N2+ diatomic nitrogen cation 2ΣgD∞h
258 PN Phosphorus mononitride 1ΣC∞v
259 P2 Phosphorus diatomic 1ΣgD∞h
260 HCN Hydrogen cyanide 1ΣC∞v
261 HCN+ hydrogen cyanide cation 2ΠC∞v
262 HNC+ hydrogen isocyanide cation   
263 HCP+ Phosphaethyne cation   
264 NNH+ Dinitrogen monohydride cation 1ΣC∞v
265 LiNH2 lithium amide   
266 HBNH Boranimine 1ΣC∞v
267 H2NN Isodiazene   
268 N2H2 (E)-diazene 1AgC2h
269 N2H2 (Z)-Diazene 1A1C2v
270 N2H2+ trans-diazene cation 2AGC2h
271 CH2NH Methanimine 1A'Cs
272 CH2NH+ Methanimine cation   
273 CHNH2 aminomethylene   
274 CHNH2+ Aminocarbene cation   
275 CH2PH Phosphaethene 1A'Cs
276 BH2NH2 Boranamine   
277 CH2NH2+ methyleneamine cation 1A1C2v
278 N2H4 Hydrazine 1AC2
279 N2H4+ hydrazine cation 2AGC2h
280 CH3NH2 methyl amine 1A'Cs
281 CH3NH2+ methyl amine cation 2A'Cs
282 SiH3NH2 Silane, amino   
283 N2H5+ protonated hydrazine 1A'Cs
284 BH3PH3 borane phosphine   
285 BH3NH3 borane ammonia 1A1C3v
286 CH3NH3 methyl ammonium radical 2A1C3v
287 CH3PH3+ methyl phosphine, protonated 1A1C3v
288 NH3NH3 Ammonia Dimer 1AgC2h
289 NH3NH3 Ammonia Dimer 1A'Cs
290 N2H7+ ammonia ammonium dimer   
291 LiO lithium oxide 2ΣC∞v
292 LiS Lithium monosulfide 2ΠC∞v
293 LiS+ Lithium sulfide cation 3ΣC∞v
294 NaO sodium monoxide 2ΣC∞v
295 KO Potassium monoxide 2ΣC∞v
296 KO+ Potassium monoxide cation 3ΣC∞v
297 NaS Sodium sulfide 2ΠC∞v
298 LiSe Lithium monoselenide   
299 CaO Calcium monoxide 1ΣC∞v
300 CaS Calcium sulfide 1ΣC∞v
301 BO boron monoxide 2ΣC∞v
302 ScO Scandium monoxide 2ΣC∞v
303 GaO Gallium monoxide 2ΣC∞v
304 GaS Gallium monosulfide   
305 CO Carbon monoxide 1ΣC∞v
306 CO- carbon monoxide anion 2ΠC∞v
307 CO+ carbon monoxide cation 2ΣC∞v
308 SiO Silicon monoxide 1ΣC∞v
309 SiS silicon monosulfide 1ΣC∞v
310 TiO Titanium monoxide 3ΔC∞v
311 CSe Carbon monoselenide 1ΣC∞v
312 GeO Germanium monoxide 1ΣC∞v
313 GeO+ Germanium monoxide cation 2ΣC∞v
314 GeS Germanium monosulfide 1ΣC∞v
315 SiSe Silicon Monoselenide   
316 SiSe+ Silicon Monoselenide cation   
317 GeSe Germanium monoselenide   
318 NO Nitric oxide 2ΠC∞v
319 NO- nitric oxide anion 3ΣC∞v
320 NO+ nitric oxide cation 1ΣC∞v
321 NS Mononitrogen monosulfide 2ΠC∞v
322 PO Phosphorus monoxide 2ΠC∞v
323 PS phosphorus sulfide 2ΣC∞v
324 VO Vanadium monoxide 4Σ- 
325 NSe Nitrogen monoselenide 2ΠC∞v
326 AsS Arsenic monosulfide 2ΠC∞v
327 PSe Phosphorus monoselenide 2ΠC∞v
328 AsSe Arsenic monoselenide 2ΠC∞v
329 O2 Oxygen diatomic 3ΣgD∞h
330 O2- oxygen diatomic anion 2ΠD∞h
331 O2-- dioxygen dianion   
332 O2+ diatomic oxygen cation 2ΠgD∞h
333 SO Sulfur monoxide 3ΣC∞v
334 SO Sulfur monoxide 1ΣC∞v
335 SO+ sulfur monoxide cation 2ΠC∞v
336 S2 Sulfur diatomic 3ΣgD∞h
337 SeO Selenium monoxide 3ΣC∞v
338 Se2 Selenium diatomic 3ΣgD∞h
339 LiOH lithium hydroxide 1ΣC∞v
340 KOH Potassium hydroxide 1ΣC∞v
341 BeOH beryllium monohydroxide 2A'Cs
342 BeOH beryllium monohydroxide 2ΣC∞v
343 HBO Boron hydride oxide 1ΣC∞v
344 HBS hydrogen boron sulfide 1ΣC∞v
345 COH Hydroxymethylidyne   
346 COH+ Carbon Monoxide, protonated 1ΣC∞v
347 HCO Formyl radical 2A'Cs
348 HCO- formyl anion 1A'Cs
349 HCO+ Formyl cation 1ΣC∞v
350 HNO Nitrosyl hydride 1A'Cs
351 HNO+ Nitrosyl hydride cation 2A'Cs
352 NOH Hydroxyimidogen 3A"Cs
353 NOH+ O-protonated nitric oxide 2A'Cs
354 HO2 Hydroperoxy radical 2A"Cs
355 HO2+ Hydroperoxy cation 3A"Cs
356 HSO+ Sulfur Monoxide, S-protonated   
357 SOH Sulfur Hydroxide   
358 SOH+ Sulfur Monoxide, protonated   
359 H2CO Formaldehyde 1A1C2v
360 H2CO- formaldehyde anion 2A'Cs
361 H2CO- formaldehyde anion   
362 H2CO+ formaldehyde cation 2B2C2v
363 H2CS Thioformaldehyde 1A1C2v
364 H2CS- thioformaldehyde anion   
365 H2CS- thioformaldehyde anion   
366 H2CS+ thioformaldehyde cation 2B2C2v
367 H2CSe Selenoformaldehyde   
368 H2NO nitroxide 2B1C2v
369 H2NO nitroxide 2A'Cs
370 H2O2 Hydrogen peroxide 1AC2
371 H2O2 Hydrogen peroxide 1AgC2h
372 H2OO water oxide   
373 HOSH hydrogen thioperoxide   
374 H2S2 Disulfane 1AC2
375 H2S2+ hydrogen disulfide cation 2BgC2h
376 H2Se2 hydrogen diselenide   
377 CH2OH Hydroxymethyl radical 2AC1
378 CH2OH+ hydroxymethyl cation 1A'Cs
379 CH3O- methoxy anion 1A1C3v
380 CH3O+ Methoxy cation 3A1C3v
381 H2CSH+ Thioformaldehyde, protonated 1A'Cs
382 NH2OH hydroxylamine 1A'Cs
383 NH2OH+ Hydroxylamine cation   
384 NH2SH Thiohydroxylamine   
385 NH2SH Thiohydroxylamine   
386 NH3S sulfidoazane   
387 CH3OH Methyl alcohol 1A'Cs
388 CH3OH- Methyl alcohol anion 2A'Cs
389 CH3OH- Methyl alcohol anion 2A'CS eclipsed
390 CH3OH+ Methyl alcohol cation 2A"Cs
391 CH3SH Methanethiol 1A'Cs
392 CH3SH+ Methanethiol cation 2A"Cs
393 SiH3OH silanol   
394 NH2OH2+ protonated hydroxylamine   
395 NH3OH+ N-protonated hydroxylamine   
396 H2OH2O water dimer 1A'Cs
397 CH3SH2+ protonated methylsulfide 1A'Cs
398 H5O2+ Dihydroxonium ion 1AC2
399 LiF lithium fluoride 1ΣC∞v
400 LiCl lithium chloride 1ΣC∞v
401 NaF sodium fluoride 1ΣC∞v
402 NaF+ sodium fluoride cation 2ΣC∞v
403 NaCl Sodium Chloride 1ΣC∞v
404 LiBr Lithium Bromide 1ΣC∞v
405 LiI Lithium Iodide   
406 NaI Sodium Iodide   
407 LiF+ lithium fluoride cation 2ΠC∞v
408 MgF+ magnesium fluoride cation 1ΣC∞v
409 TiCl Titanium Monochloride 4ΣC∞v
410 ZnF Zinc monofluoride 2ΣC∞v
411 CaBr Calcium monobromide   
412 BF Boron monofluoride 1ΣC∞v
413 AlF Aluminum monofluoride 1Σ+C∞v
414 AlCl Aluminum monochloride 1ΣC∞v
415 ScF Scandium monofluoride 1ΣC∞v
416 GaF Gallium monofluoride 1ΣC∞v
417 GaF+ Gallium monofluoride cation 2ΣC∞v
418 AlBr Aluminum monobromide   
419 GaCl Gallium monochloride 1ΣGC∞v
420 GaCl+ Gallium monochloride cation 2ΣC∞v
421 GaBr Gallium monobromide   
422 CF Fluoromethylidyne 2ΠC∞v
423 SiF silicon monofluoride 2ΠC∞v
424 SiF+ silicon monofluoride cation 1ΣC∞v
425 SiCl Clorosilylidyne 2ΠC∞v
426 CBr Carbon monobromide 2ΠC∞v
427 GeF Germanium monofluoride 2ΠC∞v
428 GeF+ Germanium monofluoride cation 1ΣC∞v
429 GeCl Germanium monochloride 2ΠC∞v
430 GeCl+ Germanium monochloride cation   
431 SiBr Silicon monobromide 2ΠC∞v
432 SiBr+ Silicon monobromide cation   
433 NCl nitrogen monochloride 3ΣC∞v
434 AsF Arsenic monofluoride 3ΣC∞v
435 AsCl Arsenic monochloride 3ΣC∞v
436 PBr Phosphorus monobromide   
437 FO Oxygen monofluoride 2ΠC∞v
438 ClO Monochlorine monoxide 2ΠC∞v
439 ClO+ chlorine monoxide cation 3ΣC∞v
440 SF Monosulfur monofluoride 2ΠC∞v
441 SF+ sulfur monofluoride cation 3ΣC∞v
442 SCl sulfur monochloride 2ΠC∞v
443 SCl+ sulfur monochloride cation 3ΣgC∞v
444 BrO Bromine monoxide 2ΠC∞v
445 BrO+ Bromine monoxide cation   
446 SeF Selenium monofluoride 2ΠC∞v
447 SBr Sulfur monobromide radical   
448 SBr+ Sulfur monobromide cation   
449 SeCl Selenium monochloride 2ΠC∞v
450 SeBr Selenium monobromide   
451 BrCl Bromine monochloride 1ΣC∞v
452 F2 Fluorine diatomic 1ΣgD∞h
453 F2- flourine diatomic anion 2ΣuD∞h
454 F2+ flourine diatomic cation 2ΠgD∞h
455 ClF Chlorine monofluoride 1Σ+C∞v
456 ClF+ clorine monofluoride cation 2ΠC∞v
457 Cl2 Chlorine diatomic 1ΣgD∞h
458 Cl2- chlorine diatomic anion 2ΣuD∞h
459 Cl2+ chlorine diatomic cation 2ΠgD∞h
460 BrF Bromine monofluoride 1ΣC∞v
461 Br2 Bromine diatomic 1ΣgD∞h
462 Br2- bromine diatomic anion 2ΣuD∞h
463 Br2+ bromine diatomic cation 2ΠgD∞h
464 I2+ Iodine diatomic cation 2ΠgD∞v
465 HCF Fluoromethylene 1A'Cs
466 HCF Fluoromethylene 3A"Cs
467 HSiF fluorosilylene   
468 HSiCl Chlorosilylene   
469 HSiBr monobromosilylene   
470 HOF Hypofluorous acid 1A'Cs
471 HOCl hypochlorous acid 1A'Cs
472 HOCl+ hypochlorous acid cation   
473 HOBr Hypobromous acid 1A'Cs
474 F2H+ Fluorine, protonated 1A'Cs
475 ClFH+ Chlorine fluoride, F-protonated   
476 FClH+ Chlorine fluoride, Cl-protonated   
477 Cl2H+ Chlorine, protonated 1A'Cs
478 CH2Br bromomethyl radical   
479 CH2F fluoromethyl radical 2ACs
480 CH2F+ fluoromethyl cation   
481 CH2Cl+ chloromethyl cation   
482 CH2Cl chloromethyl radical 2A'Cs
483 CH2Cl chloromethyl radical 2B1C2v
484 NH2Cl chloramine 1A'Cs
485 CH3F+ methyl fluoride cation   
486 CD3F methylfluoride-d3 1A1C3v
487 CH3F Methyl fluoride 1A1C3v
488 CH3Cl Methyl chloride 1A1C3v
489 CH3Cl+ Methyl chloride cation   
490 SiH3F monofluorosilane 1A1C3v
491 SiH3Cl chlorosilane 1A1C1
492 CH3Br methyl bromide 1A1C3v
493 GeH3F monofluorogermane   
494 GeH3Cl monochlorogermane   
495 SiH3Br bromosilane 1A1C3v
496 NH3Cl+ protonated monochloroammonia   
497 CH3ClH+ methyl chloride, protonated   
498 NH4Cl Ammonium chloride   
499 LiNe+ Lithium Neon cation   
500 Ne2+ Neon diatomic cation 2ΣuD∞h
501 Ar2 Argon diatomic 1SgD∞h
502 Ar2+ Argon diatomic cation 2ΣuD∞h
503 Li3 Lithium trimer 2B2C2v
504 Li3+ Lithium trimer cation 1A1'D3h
505 C3 carbon trimer 1ΣgD∞h
506 C3 carbon trimer 1A1C2v
507 SiC2 Silicon dicarbide   
508 C3H3 cyclopropenyl radical 2A'Cs
509 C3H4 cyclopropene 1A1C2v
510 CH2CCH2 allene 1A1D2d
511 CH3CCH propyne 1A'C3v
512 C3H5 Allyl radical 2A2C2v
513 C3H5 Allyl radical 2A"Cs
514 C3H6 Cyclopropane 1A1'D3h
515 CH2CHCH3 Propene 1A'Cs
516 C3H7 n-Propyl radical 2A"C1
517 C3H7+ cyclopropane, protonated   
518 CH3CHCH3 Isopropyl radical 2AC2
519 CH3CHCH3+ Isopropyl cation 1AC2
520 C3H8 Propane 1A1C2v
521 Si3H8 trisilane   
522 LiCN lithium cyanide 1ΣC*V LiCN
523 LiCN lithium cyanide 1A'Cs
524 LiCN lithium cyanide 1ΣC*V LiNC
525 NaCN Sodium Cyanide 1ΣC∞v
526 NaCN Sodium Cyanide 1ACs
527 NaCN Sodium Cyanide 1ΣC∞v
528 KCN Potassium cyanide 1ΣC∞v
529 KCN Potassium cyanide 1ΣC∞v
530 KCN Potassium cyanide 1A'Cs
531 ZnCN Zinc monocyanide 2ΣC∞v
532 ZnNC Zinc isocyanide 2ΣC∞v
533 AlCN Aluminum monocyanide   
534 AlNC Aluminum isocyanide   
535 CNN Diazocarbene   
536 N3 azide radical 2ΠgD∞h
537 N3+ azide cation 3ΣgD∞h
538 N3+ azide cation 3ΣC∞v
539 HCCN cyanomethylene 3A"Cs
540 HCCN cyanomethylene 3ΣC∞v
541 HCCN cyanomethylene   
542 HN3 hydrogen azide 1A'Cs
543 HN3+ Hydrazoic acid cation   
544 HNCNH diiminomethane 1AC2
545 NH2CN cyanamide 1A1C2v
546 HNNNH+ 1,2-Triazadienium   
547 NH2NN+ hydrazoic acid, protonated   
548 CH3CN Acetonitrile 1A1C3v
549 CH3CN- acetonitrile anion 2EC3v
550 CH3CN- acetonitrile anion 2A'Cs
551 CHNCH2 2H-Azirine   
552 CHNHCH 1H-Azirine   
553 H2CCNH Ethenimine   
554 H2CNCH methyleneaminomethylene   
555 HCCNH2 Ethynamine   
556 HCNCH2+ 2H-Azirine cation   
557 HNCNH2+ diiminomethane, protonated 1A'Cs
558 NCNH3+ Cyanamide, protonated 1A1C3v
559 NH2CNH+ cyanamide, cn protonated   
560 NH3CN+ cyanamide, amine protonated   
561 CH2CHNH vinylazine 2A"CS cis
562 CH2CHNH vinylazine 2A"CS trans
563 C2H5NH+ Protonated Aziridine 1A1C2v
564 C2H6N+ aziridine, protonated 1A1C2v
565 CH3CH2NH2 Ethylamine   
566 CH3PHCH3 dimethylphosphine 1A'Cs
567 (CH3)2NH2+ dimethylammonium cation 1A1C2v
568 CH3CH2NH3+ ethylamine, protonated 1A'Cs
569 Li2O dilithium oxide 1ΣgD∞h
570 Li2S dilithium sulfide 1ΣGD∞h
571 Li2S dilithium sulfide 1A1C2v
572 Na2O disodium monoxide 1ΣgLinear
573 Na2O disodium monoxide 1A1C2v
574 Na2S Sodium sulfide   
575 Na2S Sodium sulfide   
576 LiO2 Lithium dioxide   
577 NaO2 Sodium superoxide   
578 CCO Dicarbon monoxide 3ΣC∞v
579 CCO Dicarbon monoxide 1ΠC∞v
580 NCO isocyanato radical 2ΠC∞v
581 N2O Nitrous oxide 1ΣC∞v
582 N2O- Nitrous oxide anion 2A'Cs
583 CO2 Carbon dioxide 1ΣgD∞h
584 OCS Carbonyl sulfide 1ΣC∞v
585 CS2 Carbon disulfide 1ΣgD∞h
586 CS2- Carbon disulfide anion 2A1C2v
587 TiO2 Titanium dioxide 1A1C2v
588 SiS2 Silicon disulfide 1ΣGD∞h
589 GeO2 Germanium dioxide 1ΣgD∞h
590 OCSe Carbonyl selenide 1ΣC∞v
591 SCSe Carbon sulfide selenide   
592 CSe2 Carbon diselenide 1A1D∞h
593 NO2 Nitrogen dioxide 2A1C2v
594 NO2+ Nitrogen dioxide cation 1ΣGD∞h
595 NSO sulfinyl amidogen   
596 SNO Nitrogen oxide sulfide   
597 O3 Ozone 1A1Cs
598 SO2 Sulfur dioxide 1A1C2v
599 SSO Disulfur monoxide 1A'Cs
600 S3 Sulfur trimer 1A1C2v
601 S3 Sulfur trimer   
602 S3+ Sulfur trimer cation 2B2C2v
603 SeO2 Selenium dioxide 1A1C2v
604 SeO2+ Selenium dioxide cation 2A1C2v
605 HCCO ketenyl radical 2ΠC∞v
606 HCCO ketenyl radical 2A"Cs
607 HCNO fulminic acid 1ΣC∞v
608 HCNO fulminic acid 1A'Cs
609 HNCS Isothiocyanic acid   
610 HSCN thiocyanic acid 1A'Cs
611 HNNO+ Nitrous oxide, N-protonated 1A'Cs
612 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
613 HOCO Hydrocarboxyl radical 1A'cis
614 HOCO Hydrocarboxyl radical 1A'trans
615 O3H+ protonated ozone 1A'Cs
616 O3H+ protonated ozone   
617 SO2H+ protonated sulfur dioxide 1A'Cs
618 C2H2O Oxirene 1A1C2v
619 CH2CO Ketene 1A1C2v
620 CH2CS Thioketene   
621 Be(OH)2 Beryllium hydroxide   
622 Be(OH)2 Beryllium hydroxide   
623 NH2NO Nitrosamide 1AC1
624 H2COO Dioxymethyl radical 2A'Cs
625 H2COO+ dioxymethyl cation 2A'Cs
626 HCOOH Formic acid 1A'Cs
627 HCOOH Formic acid   
628 HSSSH trisulfane 1A'Cs
629 CH2BOH hydroxy(methylene)borane 1A'Cs
630 BH3CO Borane carbonyl 1A1C3v
631 CH3BO Borane, methyloxo- 1A1C3v
632 CH2COH+ ketene, protonated   
633 CH2NOH formaldoxime 1A'Cs
634 CH3NO nitrosomethane 1A'Cs
635 CHONH2 formamide 1A'Planar
636 CHONH2 formamide 1ANon-Planar
637 CNOH3 1,2-oxaziridine 1AC1
638 HOCHNH hydroxymethylimine 1A'CS H all up
639 HOCHNH hydroxymethylimine 1A'CS CH up
640 CHSNH2 thioformamide   
641 NHCHSH Methanimidothioic acid   
642 C2H4O Ethylene oxide 1A1C2v
643 C2H4O+ ethylene oxide cation   
644 CH3CHO Acetaldehyde 1A'Cs
645 CH3CHO+ acetaldehyde cation   
646 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
647 C2H4S Thiirane 1A1C2v
648 CH2CHSH Ethenethiol   
649 CH3CHS Thioacetaldehyde 1A'C1
650 NH2CHOH+ Formamide, O-protonated   
651 CH3SSH Hydrogen methyl disulfide   
652 HSCH2SH Methanedithiol   
653 C2H4OH+ ethylene oxide, protonated 1A'Cs
654 CH3CHOH 1-hydroxy-ethyl radical 2AC1
655 CH3CHOH+ acetaldehyde, protonated 1A'Cs
656 NH2CH2OH aminomethanol   
657 CH3CH2OH Ethanol 1A'Cs
658 CH3OCH3 Dimethyl ether 1A1C2v
659 CH3CH2SH ethanethiol 1A'Cs
660 CH3CH2SH ethanethiol 1AC1
661 CH3SCH3 Dimethyl sulfide 1A1C2v
662 CH3SCH3+ dimethyl sulfide cation   
663 CH3SeCH3 dimethylselenide 1A1C2v
664 CuF2 Copper difluoride 2ΠgD∞h
665 CNF iso cyanogen fluoride 1ΣC∞v
666 BrCN Cyanogen bromide 1ΣC∞v
667 ICN Cyanogen iodide 1ΣC∞v
668 FBO Boron monofluoride monoxide   
669 BeBr2 Beryllium bromide   
670 CaBr2 Calcium dibromide   
671 FCO Carbonyl fluoride 2A'Cs
672 FCO+ Carbonyl fluoride cation 1ΣC∞v
673 ClCO carbonyl monochloride 2A'Cs
674 BF2 Boron difluoride radical 2A1C2v
675 FNO Nitrosyl fluoride 1A'Cs
676 ClNO Nitrosyl chloride 1A'Cs
677 FNS Thionitrosyl fluoride 1A'Cs
678 FSN Thiazyl fluoride 1A'Cs
679 OPCl Phosphorus oxychloride   
680 CF2 Difluoromethylene 1A1D∞h
681 CFCl chlorofluoromethylene 1A'Cs
682 SiF2 Silicon difluoride 1A1C2v
683 SiF2+ Silicon difluoride cation 2A1C2v
684 GeCl2 Germanium dichloride 1A1C2v
685 CBr2 dibromomethylene 1A1C2v
686 CBr2 dibromomethylene 3B1C2v
687 FOO+ Fluorine dioxide cation   
688 OClO Chlorine dioxide 2B1D∞h
689 OClO- Chlorine dioxide anion 1A'Cs
690 ClSO Sulfur chloride oxide 2A"Cs
691 BrOO Bromine dioxide   
692 OBrO Bromine dioxide radical 2B1C2v
693 PF2 Phosphorus difluoride   
694 PF2+ Phosphorus difluoride cation   
695 FClO chlorosyl fluoride 1A'Cs
696 ClOF Chlorine hypofluorite 1A'Cs
697 SF2 sulfur difluoride 1A1C2v
698 SeF2 Selenium difluoride   
699 SeCl2 Selenium Dichloride   
700 SBr2 Sulfur dibromide   
701 SeBr2 Selenium dibromide   
702 Br3- tribromide anion   
703 SFCl Sulfur chloride fluoride   
704 HCCF Fluoroacetylene 1ΣC∞v
705 HCCCl Chloroacetylene 1ΣC∞v
706 HCCBr bromoacetylene 1ΣC∞v
707 HFCO+ formyl fluoride cation 2A'Cs
708 CHCl2 dichloromethyl radical 2B1C2v
709 CHCl2 dichloromethyl radical 2A'Cs
710 CHF2 difluoromethyl radical 2ACs
711 CHF2+ difluoromethyl cation   
712 CHFCl Chlorofluoromethyl radical   
713 CHFCl+ Chlorofluoromethyl cation   
714 CHCl2+ dichloromethyl cation   
715 CHBr2 dibromomethyl radical   
716 NHF2 difluoramine   
717 NHCl2 dichloroamine   
718 CH2F2 Methane, difluoro- 1A1C2v
719 SiH2F2 difluorosilane   
720 CH2Cl2 Methylene chloride 1A1C2v
721 CH2BrF Methane, bromofluoro- 1A'Cs
722 CH2BrCl Methane, bromochloro- 1A'Cs
723 CH2FI fluoroiodomethane   
724 CH2Br2 dibromomethane 1A1C2v
725 CH2I2 Diiodomethane   
726 SiH2Cl2 dichlorosilane 1A1C2v
727 CH3MgBr Methyl Magnesium Bromide   
728 CH2CHF Ethene, fluoro- 1A'Cs
729 CH2FOH fluoromethanol   
730 CH2CH2Cl 2-chloroethyl radical 2A'Cs
731 CHClCH3 1-chloroethyl radical 2AC1
732 C2H5Br Ethyl bromide 1A'Cs
733 C2H5I Ethyl iodide   
734 B4H10 Tetraborane(10) 1A1C2v
735 C4 Carbon tetramer 3ΣgD∞h
736 C4 Carbon tetramer   
737 C4H2 Diacetylene 1ΣgD∞h
738 C4H2+ diacetlyene cation 2ΠgD∞h
739 C4H4 Tetrahedrane   
740 C4H6 1-Methylcyclopropene 1AC1
741 CHCCH2CH3 1-Butyne 1A'Cs
742 CH3CHCHCH2 methylallyl radical 2A"Cs
743 C4H8 methylcyclopropane 1A'Cs
744 CH2CHCH2CH3 1-Butene 1AC1
745 CH3CH2CH2CH3 Butane 1AgAnti
746 CH3CH2CH2CH3 Butane 1AGauche
747 Li3N trilithium nitride 1A'D3h
748 Li3N trilithium nitride 1A1C3v
749 C2N2 Cyanogen 1ΣgD∞h
750 As4 Arsenic tetramer 1A1Td
751 HCCCN+ Cyanoacetylene cation 2ΠC∞v
752 H2CNCN cyanamide, methylene   
753 HNCCNH Ethenediimine   
754 C3H3N+ acrylonitrile cation 2A"Cs
755 CH3N3 methyl azide 1A'Cs
756 NH2CCNH2 Diaminoacetylene 1AC2
757 NH2CH2CN Aminoacetonitrile 1A'Cs
758 CH3NHN2+ methyl azide, protonated 1AC1
759 C2H5CN ethyl cyanide 1A'Cs
760 C4H6 Bicyclo[1.1.0]butane 1A1C2v
761 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
762 H2NCHCHNH2 diaminoethylene   
763 CH7N3 triaminomethane   
764 C4H8 cyclobutane 1A1D2d
765 NH2CH2CH2CH3 1-Propanamine 1A'Cs
766 P(CH3)3 trimethylphosphine 1A1C3v
767 N(SiH3)3 trisilylamine   
768 (CH3)3NH+ protonated trimethyl amine   
769 C3H7NH3+ n-propylamine, protonated 1A'Cs
770 K2O2 dipotassium dioxide   
771 C3O Tricarbon monoxide 1ΣC∞v
772 ONNO NO dimer 1Agtrans C2H
773 ONNO NO dimer 1A1cis C2V
774 S2N2 Disulfur dinitride 1AGD2h
775 CS3-- Carbonotrithioate   
776 NO3- nitrate anion 1A1'D3h
777 SO3 Sulfur trioxide 1A1'D3h
778 SO3-- Sulfate dianion   
779 S4 Sulfur tetramer   
780 S4 Sulfur tetramer   
781 S4 Sulfur tetramer   
782 HNO3 Nitric acid 1A'Cs
783 NH2NO2 nitramide 1A'Cs
784 C3H2O Propadienal   
785 C3H2O Propadienal   
786 C2H2O2 Ethanedial 1AgC2h
787 H2SO3 Sulfurous acid 1A'Cs
788 C2H3NO Nitrosoethylene   
789 CH3NCO methylisocyante   
790 HOCH2CN cyanomethanol   
791 CH3NO2 Methane, nitro- 1A'Cs
792 NH2COOH Carbamic acid 1A'Cs
793 NH2COOH Carbamic acid 1AC1
794 H3AlO3 Aluminum hydroxide   
795 CH2CHCHO Acrolein 1A'Cs
796 CH2CHCHO Acrolein   
797 NH2CONH2 Urea 1A1C2v
798 NH2COOH2+ Carbamic acid, O-protonated 1AC1
799 NH3COOH+ protonated Carbamic acid 1A'Cs
800 CH3COCH2 Acetonyl radical 2A"Cs
801 CH2C(OH)NH2 1-amino vinyl alchohol   
802 CH3C(OH)=NH Ethaninidic acid   
803 CH3CHNOH Acetaldoxime 1A'CS cis
804 HCONHCH3 N-methylformamide 1A'CS cis
805 HCONHCH3 N-methylformamide 1A'CS trans
806 CH3CSNH2 Ethanethioamide   
807 CH5N2O+ urea, N-protonated 1A'Cs
808 H2NCOHNH2+ urea, protonated 1A'Cs
809 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
810 C3H5OH Cyclopropanol 1AC1
811 C3H6O 2-Propen-1-ol 1AC1
812 C3H6O Acetone enol 1A'Cs
813 C3H6O Oxetane 1A1C2v
814 C3H6O Oxetane 1A'Cs
815 CH3CH2CHO Propanal 1A'Cs
816 CH3COCH3 Acetone 1A1C2v
817 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
818 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
819 C3H7OH 1-Propanol   
820 CH3OC2H5 Ethane, methoxy- 1A'Cs
821 Li2F2 Lithium fluoride dimer   
822 FNO2 Nitryl fluoride 1A1C2v
823 FONO Nitrosyl hypofluorite 1A'CS cis
824 ClONO chlorine nitrite 1A'CS cis
825 CF2O Carbonic difluoride 1A1C2v
826 CF2O+ Carbonic difluoride cation   
827 BF3+ boron trifluoride cation 2B2C2v
828 BF3+ boron trifluoride cation   
829 BClF2 Chlorodifluoroborane   
830 ScF3 Scandium trifluoride 1A1'D3h
831 BCl3 Borane, trichloro- 1A1'D3h
832 BCl3+ Boron Trichloride cation   
833 GaF3 Gallium trifluoride 1A1'D3h
834 GaCl3 Gallium trichloride 1A1'D3h
835 CF3- Trifluoromethyl anion 1A1C3v
836 CF3+ Trifluoromethyl cation 1A1'D3h
837 CF2Cl difluorochloromethyl radical   
838 SiF3 Silicon trifluoride radical 2A1C3v
839 SiF3+ Silicon trifluoride cation 1A1'D3h
840 CFCl2 dichlorofluoromethyl radical   
841 CBr3 tribromomethyl radical   
842 ClO2F Chloryl fluoride 1A'Cs
843 ClOOCl Dichlorine dioxide 1AC2
844 SSCl2 Thiothionyl chloride   
845 NF3 Nitrogen trifluoride 1A1C3v
846 NCl3 nitrogen trichloride 1A1C3v
847 AsCl3 Arsenous trichloride 1A1C3v
848 NBr3 Nitrogen Tribromide 1A1C3v
849 NI3 Nitrogen triiodide   
850 PI3 Phosphorus triiodide   
851 ClF3 Chlorine trifluoride 1A1'D3h
852 ClF3 Chlorine trifluoride 1A1C2v
853 HClO3 Chloric Acid 1A'Cs
854 HClO3 Chloric Acid 1AC1
855 CHF3 Methane, trifluoro- 1A1C3v
856 SiHF3 trifluorosilane   
857 CHBrF2 Methane, bromodifluoro- 1A'Cs
858 CHFClBr fluorochlorobromomethane 1AC1
859 CHBrCl2 Methane, bromodichloro- 1A'Cs
860 CHBr2F dibromofluoromethane   
861 NF3H+ protonated nitrogen trifluoride 1A1C3v
862 AsF3H+ Arsenic trifluoride, protonated   
863 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
864 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
865 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
866 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
867 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
868 C2H4F2 1,2-difluoroethane 1AgC2H anti
869 C2H4F2 1,2-difluoroethane 1AC2 gauche
870 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
871 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
872 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
873 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
874 CH2BrCH2Cl 1-bromo-2-chloroethane   
875 CH2BrCH2Cl 1-bromo-2-chloroethane   
876 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
877 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
878 CH2CHCH2F Allyl Fluoride   
879 CH2CHCH2F Allyl Fluoride   
880 CH3CHCHF trans-1-Fluoro-1-propene   
881 CH2FCH2OH 2-fluoroethanol   
882 CH2ClCH2OH 2-Chloroethanol 1A'Cs
883 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
884 CH2FCH2CH3 1-Fluoropropane 1A'Cs
885 CH2FCH2CH3 1-Fluoropropane   
886 CH3CHFCH3 2-Fluoropropane 1A'Cs
887 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
888 B5H9 pentaborane9   
889 C5H4 pentatetraene   
890 C5H6 Propellane 1A1D3h
891 C5H8 Bicyclo[1.1.1]pentane   
892 C5H8 Ethenylcyclopropane 1A'Cs
893 CH2N4 1H-Tetrazole 1A'Cs
894 C3H3N2 imidazolyl radical 2B1C2v
895 C3H3N2- imidizolyl anion 1A1C2v
896 C4H4N pyrrolide radical 2A2C2v
897 C4H4N- pyrrolide anion 1A1C2v
898 C3H4N2 1H-Imidazole 1A'Cs
899 C3H4N2 2H-Imidazole 1A1C2v
900 C3H4N2 4H-Imidazole 1A'Cs
901 C4H5N Pyrrole 1A1C2v
902 C4H6N+ pyrrole, alpha-protonated 1A'Cs
903 C4H6N+ pyrrole, beta-protonated 1A'Cs
904 C4H6N+ pyrrole, protonated 1A1C2v
905 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
906 CH3CH2CH2CN Butanenitrile 1A'Cs
907 NH(C2H5)2 diethylamine 1A'Cs
908 C3O2 Carbon suboxide 1ΣGD∞h
909 B2O3 diboron trioxide   
910 B2O3 diboron trioxide   
911 MgCO3 Magnesium Carbonate 1A1C2v
912 BeCO3 Beryllium Carbonate 1A1C2v
913 HSO4- bisulfate anion 1A'Cs
914 CHOOCHO diformyl ether   
915 C3H3NO Isoxazole 1A'Cs
916 C3H3NO Oxazole 1A'Cs
917 C3H3NS Thiazole   
918 C4H4O Furan 1A1C2
919 CH3COCCH 3-butyn-2-one 1A'Cs
920 C4H4Se selenophene   
921 CH3OCH2CN Methoxyacetonitrile 1A'Cs
922 CH3OCH2CN Methoxyacetonitrile 1AC1
923 CH3SO2NH2 methanesulfonamide 1A'Cs
924 CH2CHSCHCH2 Divinyl sulfide   
925 CH3CH2COOH Propanoic Acid 1A'Cs
926 HCOOC2H5 Ethyl formate 1A'Cs
927 C2H6O2S Dimethyl sulfone 1A1C2v
928 C4H8S Thiophene, tetrahydro- 1AC1
929 C4H10O 1-Butanol 1A'Cs
930 C4H10O Ethoxy ethane 1A1C2v
931 C4H10O Methyl propyl ether 1AC1
932 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
933 C4H9SH 1-Butanethiol   
934 BrONO2 Bromine nitrate 1A'Cs
935 CF3Cl Methane, chlorotrifluoro- 1A1C3v
936 CF2Cl2 difluorodichloromethane 1A1C2v
937 TiF4 Titanium tetrafluoride 1A1Td
938 CF3Br Bromotrifluoromethane 1A1C3v
939 GeF4 Germanium tetrafluoride 1A1Td
940 CCl4 Carbon tetrachloride 1A1Td
941 CBrCl2F bromodichlorofluoromethane   
942 CBr2ClF dibromochlorofluoromethane   
943 CBr2Cl2 dibromodichloromethane 1A1C2v
944 CCl3I trichloroiodomethane   
945 CFBr3 fluorotribromomethane 1A1C3v
946 CBr3Cl tribromochloromethane 1A1C3v
947 CBr4 Carbon tetrabromide 1A1Td
948 SiBr4 Silicon tetrabromide 1A1Td
949 GeBr4 Germanium tetrabromide   
950 ClOF3 Chlorine trifluoride oxide 1A'Cs
951 SF4 Sulfur tetrafluoride 1A1C2v
952 SeF4 Selenium tetrafluoride   
953 SCl4 Sulfur tetrachloride   
954 CH2ClCCCl 1,3-dichloropropyne   
955 CHCl2CCH 3,3-dichloropropyne   
956 CHCl2CHO dichloroacetaldehyde   
957 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
958 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
959 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
960 SiH3CCl3 (trichloromethyl)silane 1A1C3v
961 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
962 CH2FCH2CH2F 1,3-difluoropropane   
963 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
964 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
965 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
966 C2H2N2O Furazan   
967 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
968 NH3BF3 Amminetrifluoroboron 1A1C3v
969 C6H2 hexatriyne 1ΣgD∞h
970 C6H6 Prismane   
971 C6H6 1,2,4,5-Hexatetraene 1AgC2h
972 C6H6 Benzene 1A1gD6h
973 C6H6 Benzvalene 1A1C2v
974 C6H6 Dewar Benzene   
975 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
976 C6H6 Trimethylenecycopropane 1A'D3h
977 C6H7+ benzene, protonated 1A1C2v
978 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
979 C6H10 1,5-Hexadiene 1AgC2
980 C6H10 3-Hexyne 1A1C2v
981 C6H12 (E)-hex-3-ene 1AGCi
982 C6H12 (Z)-hex-3-ene 1AC2
983 C6H12 2,3-dimethylbut-1-ene 1A'C2
984 C6H12 hex-1-ene 1A'Cs
985 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
986 C4H2N2 Fumaronitrile 1AgC2h
987 C5H6N+ Pyridinium 1A1C2v
988 MgSO4 Magnesium Sulfate 1A1C2v
989 N2O4 Dinitrogen tetroxide 1AgD2d
990 C3H2O3 vinylene carbonate   
991 C2H2O4 Oxalic Acid 1AgC2h
992 C2H4N2S2 Ethanedithioamide 1AGC2h
993 C2H4CO3 Ethylene carbonate 1A1C2v
994 C2H4CO3 Ethylene carbonate 1AC2
995 C2H5NO3 Nitric acid, ethyl ester 1A'C1
996 C5H6O 2H-Pyran   
997 C5H6O Pentadienal   
998 C4H6O2 γ–Butyrolactone 1AC1
999 C3H6O3 1,3,5-Trioxane 1A1C1
1000 C3H6S3 1,3,5-Trithiane 1A1C3v
1001 C5H8O Cyclopentanone 1AC2
1002 C5H8O Methyl cyclopropyl ketone 1A'Cs
1003 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1004 C4H8O2 Ethyl acetate 1A'Cs
1005 C5H10O 2-methylbutyraldehyde 1AC1
1006 C5H10O 3-Pentanone 1A1C2v
1007 C4F2 difluorobutadiyne   
1008 ClCOClCO Oxalyl chloride 1AGC2h
1009 B2Cl4 Diboron tetrachloride 1A1D2
1010 C2ClF3 Ethene, chlorotrifluoro-   
1011 CF2CCl2 difluorodichloroethylene 1A1C2v
1012 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1013 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1014 C2Br4 tetrabromoethene   
1015 CF3OF Trifluoromethylhypofluorite 1A'Cs
1016 SiF5- silicon pentafluoride anion   
1017 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1018 PF5 Phosphorus pentafluoride 1A1'D3h
1019 SF5+ pentafluoro sulfur cation 1A1'D3h
1020 IF5 pentafluoroiodine   
1021 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1022 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1023 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1024 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1025 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1026 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1027 CF3COOH trifluoroacetic acid 1A'Cs
1028 C4H3ClO Furan, 2-chloro 1A'Cs
1029 C4H3ClO Furan,3-chloro 1A'Cs
1030 C4H8O2 Butanoic acid 1AC1
1031 C7H7 cycloheptatrienyl radical 2A2C2v
1032 C7H7+ cycloheptatrienyl cation 1A1'D7h
1033 CH(CN)3 tricyanomethane   
1034 HN=C=C(CN)2 Dicyanoketenimine   
1035 C5H4O2 furfural 1A'OCCO cis
1036 C5H4O2 furfural 1A'OCCO trans
1037 C6H6O 2,5-Cyclohexadienone 1A1C2v
1038 HO2CCHNH2CH2OH Serine 1AC1
1039 C5H8O2 Acetylacetone 1AC2
1040 C7H10 Norbornene   
1041 C6H12O Oxepane   
1042 F2CCCF2 tetrafluoroallene   
1043 CF3COO- trifluoro acetate anion 1A'Cs
1044 CF3COF trifluoroacetyl fluoride 1A'Cs
1045 PF6 Hexafluorophosphate neutral 2B2C2v
1046 PF6- Hexafluorophosphate ion 1A1GOh
1047 SF6 Sulfur Hexafluoride 1A1GOh
1048 SeF6 Selenium hexafluoride 1A1GOh
1049 SF5Cl sulfur chloropentafluoride 1A1C4v
1050 CF3CHF2 pentafluoroethane 1A'Cs
1051 C8H6 Calicene 1A1C2v
1052 C8H8 cubane 1A1GOh
1053 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1054 C8H16 cyclooctane 1A1D4d
1055 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1056 C6H12N2 Triethylenediamine 1A1D3
1057 S4N4 Tetrasulfur tetranitride   
1058 C6H5CHO benzaldehyde 1A'Cs
1059 C5H9NO2 Proline 1AC1
1060 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1061 C2Cl6 hexachloroethane 1A1gD3d
1062 C6H4F2 1,4-difluorobenzene 1AgD2h
1063 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1064 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1065 C6H4Cl2 1,4-dichlorobenzene   
1066 C6H5NO nitrosobenzene 1A'Cs
1067 C9H20 Nonane 1A1C2v
1068 C(CN)4 tetracyanomethane 1A1Td
1069 C3H3N3O3 cyanuric acid 1A1'D3h
1070 C3F6 hexafluoropropene   
1071 C6H3F3 Benzene trifluoride 123 1A1C2v
1072 C8H18O 1-Octanol   
1073 C10H8 Azulene 1A1C2v
1074 C10H8 naphthalene 1AgD2h
1075 C10H10 bullvalene   
1076 C10H22 Decane 1AGC2h
1077 B12H12-- Dodecahydrododecaborate(2-)   
1078 C12H8 biphenylene 1AgD2h
1079 C6H12O6 Inositol 1A1GD3d
1080 S2F10 disulphur decafluoride   
1081 C13H10 Fluorene   
1082 C14H14 Bibenzyl 1AC2
1083 C12H10N2 azobenzene 1AGC2h
1084 C6H5COC6H5 benzophenone 1AC2
1085 C19H16 Triphenylmethane 1AC3
1086 C24H12 Coronene 1A1GD6h

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 anion he-  
9 HeH Helium hydride heh  
10 Li Lithium atom li  
11 Li+ Lithium atom cation li+  
12 Na Sodium atom na  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K- Potassium atom anion k-  
16 K+ Potassium atom cation k+  
17 Cu Copper atom cu  
18 Cu- Copper atom anion cu-  
19 Cu+ Copper atom cation cu+  
20 LiH Lithium Hydride lih  
21 LiH- lithium hydride anion lih-  
22 NaH sodium hydride nah  
23 NaH- sodium hydride anion 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- berylium monohydride anion beh-  
39 BeH+ beryllium monohydride cation beh+  
40 MgH- magnesium monohydride anion mgh-  
41 MgH+ magnesium monohydride cation mgh+  
42 CaH+ Calcium monohydride cation cah+  
43 ZnH Zinc monohydride znh  
44 BeH2 beryllium dihydride beh2  
45 CaH2 Calcium Hydride cah2  
46 ZnH2 Zinc hydride znh2  
47 B Boron atom b  
48 B- Boron atom anion b-  
49 B+ Boron atom cation b+  
50 BH- boron monohydride anion bh-  
51 BH+ boron monohydride cation bh+  
52 AlH aluminum monohydride alh  
53 AlH- aluminum monohydride anion alh-  
54 AlH+ aluminum monohydride cation alh+  
55 BH2 boron dihydride bh2  
56 BH2+ Boron dihydride cation bh2+  
57 AlH2 aluminum dihydride alh2  
58 AlH2- aluminum dihydride anion alh2-  
59 AlH2+ aluminum dihydride cation alh2+  
60 BH3 boron trihydride bh3  
61 BH3- boron trihydride anion bh3-  
62 AlH3+ aluminum trihydride cation alh3+  
63 GaH3 Gallium trihydride gah3  
64 AlH4- Aluminum tetrahydride anion alh4-  
65 C- Carbon atom anion c-  
66 C+ Carbon atom cation c+  
67 Si+ Silicon atom cation si+  
68 Ti Titanium atom ti  
69 Ti- Titanium atom anion ti-  
70 Ti+ Titanium atom cation ti+  
71 Sn Tin atom sn  
72 Sn+ Tin cation sn+  
73 CH- methylidyne anion ch-  
74 CH+ Methylidyne cation ch+  
75 SiH- silicon monohydride anion sih-  
76 SiH2 silicon dihydride sih2  
77 SiH2- silicon dihydride anion sih2-  
78 SiH2+ silicon dihydride cation sih2+  
79 SiH3- Silyl anion sih3-  
80 CD4 methane-d4 cd4  
81 CH2D2 methane-d2 ch2d2  
82 CH3D methane-d ch3d  
83 CH4+ Methane cation ch4+  
84 CHD3 methane-d3 chd3  
85 SiH4+ Silane cation sih4+  
86 SnH4 Stannane snh4  
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 Sb Antimony atom sb  
92 NH Imidogen nh  
93 NH- Imidogen anion nh-  
94 NH+ imidogen cation nh+  
95 PH- phosphorus monohydride anion ph-  
96 PH+ phosphorus monohydride cation ph+  
97 SbH Antimony monohydride sbh  
98 ND2 Amidogen-d2 nd2  
99 NH2- amino anion nh2-  
100 PH2 Phosphino radical ph2  
101 PH2- Phosphino anion ph2-  
102 PH2+ Phosphino cation ph2+  
103 AsH2 Arsenic dihydride ash2  
104 AsH2+ Arsenic dihydride cation ash2+  
105 ND3 Ammonia-d3 nd3  
106 SbH3 Stibine sbh3  
107 O- Oxygen atom anion o-  
108 O+ Oxygen atom cation o+  
109 Cr Chromium atom cr  
110 Te Tellurium atom te  
111 Te+ Tellurium atom cation te+  
112 DO Hydroxyl-d od  
113 DS Mercapto-d ds  
114 TeH Telluryl radical teh  
115 D2O Deuterium oxide d2o  
116 D2S Hydrogen sulfide-d2 d2s  
117 H2Te Hydrogen Telluride h2te  
118 Mn Manganese atom mn  
119 I Iodine atom iodine  
120 I- Iodine atom anion iodine-  
121 I+ Iodine atom cation iodine+  
122 DF Hydrofluoric acid-d df  
123 DCl Hydrochloric acid-d dcl  
124 HI Hydrogen iodide hi  
125 H2F+ dihydrogen fluoride cation h2f+  
126 Ne- Neon atom anion ne-  
127 Ne+ Neon atom cation ne+  
128 Ar Argon atom ar  
129 Ar- Argon atom anion ar-  
130 Ar+ Argon atom cation ar+  
131 Fe Iron atom fe  
132 Xe Xenon atom xe  
133 NeH+ neon hydrogen cation neh+  
134 XeH+ Xenon, protonated xeh+  
135 Co Cobalt atom cobalt  
136 Ni Nickel atom ni  
137 Li2 Lithium diatomic li2  
138 Li2- lithium diatomic anion li2-  
139 NaLi- lithium sodium anion lina-  
140 NaLi+ lithium sodium cation lina+  
141 LiK Lithium Potassium lik  
142 NaK Sodium Potassium nak  
143 K2 Potassium diatomic k2  
144 Cu2 Copper diatomic cu2  
145 LiBe Lithium Beryllium libe  
146 LiMg Lithium magnesium limg  
147 NaBe Sodium Beryllium nabe  
148 NaMg Sodium Magnesium namg  
149 Be2- Beryllium diatomic anion be2-  
150 Be2+ Beryllium diatomic cation be2+  
151 Mg2 Magnesium diatomic mg2  
152 Mg2- magnesium diatomic anion mg2-  
153 Mg2+ magnesium diatomic cation mg2+  
154 Ca2 Calcium diatomic ca2  
155 B2- Boron diatomic anion b2-  
156 Al2 Aluminum diatomic al2  
157 Al2- aluminum diatomic anion al2-  
158 Al2+ aluminum diatomic cation al2+  
159 LiBH4 Lithium borohydride libh4  
160 BC- boron monocarbide anion bc-  
161 BC+ boron monocarbide cation bc+  
162 C2- carbon diatomic anion c2-  
163 SiC- silicon monocarbide anion sic-  
164 SiC+ silicon monocarbide cation sic+  
165 Si2 Silicon diatomic si2  
166 Si2- silcon diatomic anion si2-  
167 Si2+ silcon diatomic cation si2+  
168 Ge2 Germanium diatomic ge2  
169 C2H+ Ethynyl cation c2h+  
170 ZnCH2 Zinc methylene znch2  
171 CCH2 vinylidene vinylidene  
172 CuCH3 monomethyl copper cuch3  
173 ZnCH3 Zinc monomethyl znch3  
174 CH3CH methylmethylene ch3ch  
175 CH2SiH2 silaethylene ch2sih2  
176 C2H5- Ethyl anion c2h5-  
177 C2H5+ Ethyl cation c2h5+  
178 C2H6+ ethane cation c2h6+  
179 CH3SiH3 methyl silane ch3sih3  
180 GeH3CH3 methyl germane geh3ch3  
181 C2H7+ Ethane, protonated c2h7+  
182 LiN+ Lithium Nitride cation lin+  
183 BeN- Beryllium mononitride anion ben-  
184 BN- boron nitride anion bn-  
185 AlN- aluminum mononitride anion aln-  
186 AlN+ aluminum mononitride cation aln+  
187 BN+ boron nitride cation bn+  
188 AlN Aluminum nitride aln  
189 CN+ Cyano cation cn+  
190 CP Carbon monophosphide cp  
191 CP- carbon monophosphide anion cp-  
192 CP+ carbon monophosphide cation cp+  
193 SiN Silicon nitride sin  
194 SiN- silicon mononitride anion sin-  
195 SiN+ silicon mononitride cation sin+  
196 SiP- Silicon monophosphide anion sip-  
197 SiP+ Silicon monophosphide cation sip+  
198 TiN Titanium mononitride tin  
199 PN- phosphorus nitride anion pn-  
200 PN+ phosphorus nitride cation pn+  
201 P2- phosphorus diatomic anion p2-  
202 P2+ phosphorus diatomic cation p2+  
203 AsN Arsenic mononitride asn  
204 AsP Arsenic monophosphide asp  
205 SbN Antimony nitride sbn  
206 As2 Arsenic diatomic as2  
207 HNB hydrogen nitrogen boron hnb  
208 HNC hydrogen isocyanide hnc  
209 HCN- Hydrogen cyanide anion hcn-  
210 HCP Phosphaethyne hcp  
211 NNH Dinitrogen monohydride nnh  
212 HPO Hydrogen phosphorus oxide hpo  
213 HPO+ Hydrogen phosphorus oxide cation hpo+  
214 CNH2+ N-protonated hydrogen isocyanide cnh2+  
215 H2CN+ hydrocyanonium cation h2cn+  
216 HCNH+ N-protonated HCN hcnh+  
217 P2H4 Diphosphine p2h4  
218 CH3PH2 Methyl phosphine ch3ph2  
219 CH3NH3+ protonated methylamine ch3nh3+  
220 LiO- lithium oxide anion lio-  
221 LiO+ lithium oxide cation lio+  
222 NaO- sodium oxide anion nao-  
223 NaO+ sodium oxide cation nao+  
224 CuO Copper Monoxide cuo  
225 BeO beryllium oxide beo  
226 BeO- Beryllium monoxide anion beo-  
227 BeS beryllium sulfide bes  
228 MgO magnesium oxide mgo  
229 MgO- magnesium oxide anion mgo-  
230 MgO+ magnesium oxide cation mgo+  
231 MgS magnesium sulfide mgs  
232 MgS- magnesium sulfide anion mgs-  
233 MgS+ magnesium sulfide cation mgs+  
234 ZnO zinc monoxide zno  
235 ZnS Zinc sulfide zns  
236 BeS- Beryllium monosulfide anion bes-  
237 BeS+ Beryllium monosulfide cation bes+  
238 BO- boron monoxide anion bo-  
239 AlO Aluminum monoxide alo  
240 AlO- Aluminum monoxide anion alo-  
241 AlO+ aluminum monoxide cation alo+  
242 BS boron sulfide bs  
243 BS- boron monosulfide anion bs-  
244 BS+ boron monosulfide cation bs+  
245 AlS Aluminum sulfide als  
246 AlS- aluminum monosulfide anion als-  
247 AlS+ aluminum monosulfide cation als+  
248 BO+ boron monoxide cation bo+  
249 CS carbon monosulfide cs  
250 CS- carbon monosulfide anion cs-  
251 CS+ carbon monosulfide cation cs+  
252 SiO- silicon monoxide anion sio-  
253 SiO+ silicon monoxide cation sio+  
254 SiS- silicon monosulfide anion sis-  
255 SiS+ silicon monosulfide cation sis+  
256 CSe- Carbon monoselenide anion cse-  
257 CSe+ Carbon monoselenide cation cse+  
258 NS- nitrogen sulfide anion ns-  
259 NS+ nitrogen sulfide cation ns+  
260 PO- phosphorus monoxide anion po-  
261 PO+ phosphorus monoxide cation po+  
262 PS- phosphorus monosulfide anion ps-  
263 PS+ phosphorus monosulfide cation ps+  
264 AsO Arsenic monoxide aso  
265 SO- sulfur monoxide anion so-  
266 S2- sulfur diatomic anion s2-  
267 S2+ sulfur diatomic cation s2+  
268 SeO- selenium monoxide anion seo-  
269 SeO+ selenium monoxide cation seo+  
270 SeS Selenium monosulfide ses  
271 SeS- selenium monosulfide anion ses-  
272 SeS+ selenium monosulfide cation ses+  
273 TeO Tellurium monoxide teo  
274 Se2- selenium diatomic anion se2-  
275 Se2+ selenium diatomic cation se2+  
276 Te2 Tellurium diatomic te2  
277 NaOH sodium hydroxide naoh  
278 MgOH magnesium hydroxide mgoh  
279 CaOH Calcium monohydroxide caoh  
280 HCS Thioformyl radical hcs  
281 HCS- Thioformyl anion hcs-  
282 HCS+ Thioformyl cation hcs+  
283 HNO- Nitrosyl hydride anion hno-  
284 HNS Sulfur imide hns  
285 HNS- Sulfur imide anion hns-  
286 HO2- Hydroperoxy anion ho2-  
287 HS2 Thiosulfeno radical hs2  
288 HOCH hydroxycarbene hoch  
289 CH3O Methoxy radical ch3o  
290 CH3S thiomethoxy ch3s  
291 NH3O Ammonia Oxide nh3o  
292 H2POH Phosphinous acid h2poh  
293 H3PO Phosphine oxide h3po  
294 H3O2+ hydrogen peroxide, protonated h3o2+  
295 CH3SeH Methane selenol ch3seh  
296 CH3OH2+ Methanol, protonated ch3oh2+  
297 H2ONH3 Water Ammonia Dimer h2onh3  
298 LiCl- lithium chloride anion licl-  
299 LiCl+ lithium chloride cation licl+  
300 NaF- sodium fluoride anion naf-  
301 KF Potassium Fluoride kf  
302 NaCl- sodium chloride anion nacl-  
303 NaCl+ sodium chloride cation nacl+  
304 KCl Potassium Chloride kcl  
305 CuF Copper monofluoride cuf  
306 LiBr- lithium bromide anion libr-  
307 LiBr+ lithium bromide cation libr+  
308 CuCl Copper monochloride cucl  
309 NaBr Sodium Bromide nabr  
310 NaBr- sodium bromide anion nabr-  
311 NaBr+ sodium bromide cation nabr+  
312 KBr Potassium Bromide kbr  
313 KI Potassium Iodide ki  
314 LiF- lithium fluoride anion lif-  
315 BeF Beryllium monofluoride bef  
316 BeF- Beryllium monofluoride anion bef-  
317 BeF+ Beryllium monofluoride cation bef+  
318 BeCl beryllium monochloride becl  
319 MgF Magnesium monofluoride mgf  
320 MgF- magnesium fluoride anion mgf-  
321 CaF Calcium monofluoride caf  
322 MgCl magnesium monochloride mgcl  
323 MgCl- magnesium monochloride anion mgcl-  
324 MgCl+ magnesium monochloride cation mgcl+  
325 CaCl calcium monochloride cacl  
326 ZnF- Zinc monofluoride anion znf-  
327 ZnF+ Zinc monofluoride cation znf+  
328 ZnCl Zinc monochloride zncl  
329 BeCl- beryllium monochloride anion becl-  
330 BeCl+ beryllium monochloride cation becl+  
331 BF- Boron monofluoride anion bf-  
332 BF+ Boron monofluoride cation bf+  
333 AlF- Aluminum monofluoride anion alf-  
334 AlF+ Aluminum monofluoride cation alf+  
335 BCl boron monochloride bcl  
336 BCl- boron monochloride anion bcl-  
337 BCl+ boron monochloride cation bcl+  
338 AlCl- aluminum monochloride anion alcl-  
339 AlCl+ aluminum monochloride cation alcl+  
340 BBr Boron monobromide bbr  
341 AlI Aluminum monoiodide ali  
342 CF- carbon monofluoride anion cf-  
343 CF+ carbon monofluoride cation cf+  
344 CCl carbon monochloride ccl  
345 CCl- carbon monochloride anion ccl-  
346 CCl+ carbon monochloride cation ccl+  
347 SiF- silicon monofluoride anion sif-  
348 SiCl- silicon monochloride anion sicl-  
349 SiCl+ silicon monochloride cation sicl+  
350 NF nitrogen fluoride nf  
351 NF- nitrogen monofluorine anion nf-  
352 NF+ nitrogen monofluoirde cation nf+  
353 NCl- nitrogen monochloride anion ncl-  
354 NCl+ nitrogen monochloride cation ncl+  
355 PF phosphorus monofluoride pf  
356 PF- phosphorus monofluoride anion pf-  
357 PF+ phosphorus monofluoride cation pf+  
358 PCl phosphorus chloride pcl  
359 PCl- phosphorus monochloride anion pcl-  
360 PCl+ phosphorus monochloride cation pcl+  
361 SbF Antimony monofluoride sbf  
362 SbCl Antimony monochloride sbcl  
363 FO- flourine oxide anion fo-  
364 FO+ fluorine monoxide cation fo+  
365 ClO- chlorine monoxide anion clo-  
366 SF- sulfur monofluoride anion sf-  
367 SCl- sulfur monochloride anion scl-  
368 BrO- Bromine monoxide anion bro-  
369 IO Iodine monoxide io  
370 ClF- clorine monofluoride anion clf-  
371 BrF- bromine fluoride anion brf-  
372 BrF+ bromine fluoride cation brf+  
373 BrCl- bromine chloride anion brcl-  
374 BrCl+ bromine chloride cation brcl+  
375 IF Iodine monofluoride if  
376 ICl Iodine monochloride icl  
377 IBr Iodine monobromide ibr  
378 I2 Iodine diatomic i2  
379 HCCl Chloromethylene hccl  
380 CHBr bromomethylene chbr  
381 DOCl Hypochlorous acid-d docl  
382 HOI Hypoiodous acid hoi  
383 FHF Hydrogen difluoride fhf  
384 FHF- Hydrogen difluoride anion fhf-  
385 NH2F monofluoroamine nh2f  
386 H2F2 Hydrogen fluoride dimer h2f2  
387 CD3Cl methyl chloride d3 cd3cl  
388 CH3I methyl iodide ch3i  
389 SiH3I Silyl Iodide sih3i  
390 Ne2 Neon diatomic ne2  
391 C3+ carbon trimer cation c3+  
392 C3H3 Propargyl radical propargyl  
393 C3H3- Propargyl anion c3h3-  
394 C3H3+ cyclopropenyl cation cpr+  
395 C3H3+ Propargyl cation c3h3+  
396 C3H5+ Allyl cation allyl+  
397 Zn(CH3)2 dimethyl zinc dmz  
398 SiH2(CH3)2 dimethylsilane dms  
399 CuCN Copper cyanide cucn  
400 CN2 3H-Diazirin-3-ylidene cn2  
401 N3- azide anion n3-  
402 HCNN diazomethyl radical hcnn  
403 CH2N2 diazirine ch2n2  
404 CH2NN diazomethane ch2nn  
405 CH3CN+ Acetonitrile cation ch3cn+  
406 CH3NC methyl isocyanide ch3nc  
407 NHCHNH2 aminomethanimine cn2h4  
408 C2H5N Aziridine c2h5n  
409 CH2CHNH2 aminoethene aminoethene  
410 CH2NCH3 N-methylmethanimine nmm  
411 CH3CHNH ethanimine ethanimine  
412 NH2BHNH2 diaminoborane nh2bhnh2  
413 NH2CH2NH2 diaminomethane nh2ch2nh2  
414 CH3NHCH3 Dimethylamine ch3nhch3  
415 NH2CH2NH3+ diaminoethane, protonated pdam  
416 Li2O+ dilithium oxide cation li2o+  
417 CNO- fulminate cno-  
418 NCO- cyanate nco-  
419 SCN thiocyanato radical scn  
420 SCN- thiocyanide anion scn-  
421 BO2 Boron dioxide bo2  
422 BO2- Boron dioxide anion bo2-  
423 BO2+ Boron dioxide cation bo2+  
424 N2O+ Nitrous oxide cation n2o+  
425 NNS Nitrogen sulfide nns  
426 PPO Phosphorus oxide phosphide ppo  
427 CO2- Carbon dioxide anion co2-  
428 CO2+ Carbon dioxide cation co2+  
429 OCS+ Carbonyl sulfide cation cos+  
430 SiO2 silicon dioxide sio2  
431 CS2+ Carbon disulfide cation cs2+  
432 GeS2 Germanium disulfide ges2  
433 SCTe Carbon sulfide Telluride scte  
434 NO2- Nitrogen dioxide anion no2-  
435 PO2 Phosphorus dioxide po2  
436 PO2- Phosphorus dioxide anion po2-  
437 PO2+ Phosphorus dioxide cation po2+  
438 O3- Ozone anion o3-  
439 O3+ Ozone cation o3+  
440 SO2- Sulfur dioxide anion so2-  
441 SO2+ Sulfur dioxide cation so2+  
442 S3- Sulfur trimer anion s3-  
443 TeO2 Tellurium Dioxide teo2  
444 CS2H+ Carbon disulfide, protonated cs2h+  
445 HNCO Isocyanic acid hnco  
446 HOCN cyanic acid hocn  
447 HCO2- formate anion hco2-  
448 HNNO nitrosoazane hnno  
449 HOCO+ Hydrocarboxyl cation hoco+  
450 HNO2 Nitrous acid hno2  
451 HNO2+ nitrous acid cation hno2+  
452 CH2CO+ Ketene cation ch2co+  
453 HCCOH ethynol hccoh  
454 Mg(OH)2 Magnesium dihydroxide h2mgo2  
455 CH2O2 Dioxirane diox  
456 H2O3 Hydrogen trioxide h2o3  
457 NaOCH3 Sodium methoxide naoch3  
458 CH2CHO Vinyloxy radical ch2cho  
459 CH3CO Acetyl radical ch3co  
460 CH3CO- Acetyl anion ch3co-  
461 CH3CO+ acetyl cation ch3co+  
462 CH2OOH CH2OOH radical ch2ooh  
463 CH3OO methylperoxy radical ch3oo  
464 CH3OO- methylperoxy anion ch3oo-  
465 CH3OO+ methylperoxy cation ch3oo+  
466 CH2CHOH ethenol ch2choh  
467 H2CONH2+ protonated formamide h2conh2+  
468 NH3CHO+ Formamide, N-Protonated nh3cho+  
469 CH2(OH)2 methanediol ch2o2h2  
470 CH3OOH Methyl peroxide ch3ooh  
471 H2OH2CO water formaldehyde dimer h2oh2co  
472 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
473 CH3CH2O Ethoxy radical ethoxy  
474 CH3OCH2 methoxymethyl radical ch3och2  
475 CH3OHH2O methanol water dimer ch3ohh2o  
476 H2OCH3OH water methanol dimer h2och3oh  
477 ZnF2 Zinc difluoride znf2  
478 FCN Cyanogen fluoride fcn  
479 ClCN chlorocyanogen clcn  
480 BeF2 Beryllium fluoride bef2  
481 MgF2 Magnesium fluoride mgf2  
482 BeCl2 Beryllium chloride becl2  
483 MgCl2 Magnesium dichloride mgcl2  
484 CaCl2 Calcium Chloride cacl2  
485 ZnCl2 Zinc dichloride zncl2  
486 CaF2 Calcium difluoride caf2  
487 BrNO Nitrosyl bromide brno  
488 INO Nitrosyl iodide ino  
489 CF2- Difluoromethylene anion cf2-  
490 CF2+ Difluoromethylene cation cf2+  
491 CCl2 dichloromethylene ccl2  
492 CCl2- dichloromethylene anion ccl2-  
493 CCl2+ dichloromethylene cation ccl2+  
494 SiCl2 Dichlorosilylene sicl2  
495 GeF2 Germanium difluoride gef2  
496 FOO Dioxygen monofluoride radical foo  
497 ClOO chloroperoxy radical cloo  
498 ClOO+ chloroperoxy cation cloo+  
499 OClO+ Chlorine dioxide cation oclo+  
500 ClS2 Sulfur chloride cls2  
501 NF2 Difluoroamino radical nf2  
502 NF2+ Difluoroamino cation nf2+  
503 F2O Difluorine monoxide f2o  
504 SF2- sulfur difluoride anion sf2-  
505 SF2+ sulfur difluoride cation sf2+  
506 Cl2O Dichlorine monoxide cl2o  
507 SCl2 Sulfur dichloride scl2  
508 BrOCl Bromine hypochlorite brocl  
509 BrOBr Bromine oxide brobr  
510 F3- trifluoride anion f3-  
511 Cl3- trichloride anion cl3-  
512 I3- triiodide i3-  
513 HCCF+ fluoroacetylene cation hccf+  
514 HFCO formyl fluoride hfco  
515 COHCl Formyl chloride cohcl  
516 COHBr Formyl bromide cohbr  
517 BHF2 Difluoroborane bhf2  
518 BHCl2 Borane, dichloro- bhcl2  
519 HOClO Chlorous acid hoclo  
520 CH2FCl fluorochloromethane ch2fcl  
521 CH2ClI chloroiodomethane ch2cli  
522 CH2BrI bromoiodomethane ch2bri  
523 CH2CHF+ fluoroethene cation ch2chf+  
524 C2H3Cl Ethene, chloro- ch2chcl  
525 C2H3Br vinyl bromide c2h3br  
526 C2H3I Vinyl iodide c2h3i  
527 CH3OCl methyl hypochlorite ch3ocl  
528 C2H5F fluoroethane c2h5f  
529 CH3CH2Cl Ethyl chloride c2h5cl  
530 CH3SiFH2 fluoromethylsilane ch3sifh2  
531 KrF2 Krypton difluoride krf2  
532 XeF2 Xenon difluoride xef2  
533 C4+ Carbon tetramer cation c4+  
534 C2H3CCH 1-Buten-3-yne c2h3cch  
535 C4H4 cyclobutadiene cbd  
536 H2CCCCH2 Butatriene h2cccch2  
537 C4H6 Cyclobutene c822355  
538 C4H6 Methylenecyclopropane c6142730  
539 CH2CCHCH3 1,2-Butadiene butad12  
540 CH2CHCHCH2 1,3-Butadiene c106990  
541 CH3CCCH3 2-Butyne c503173  
542 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
543 CH3CHCHCH3 2-Butene, (E)- bute2e  
544 CH3CHCHCH3 2-Butene, (Z)- bute2z  
545 B(CH3)3 trimethylborane bme3  
546 Al(CH3)3 trimethyl aluminum tma  
547 C(CH3)3 Tert-butyl radical tbutyl  
548 CH2CH(CH3)2 Isobutyl radical isobutyl  
549 CH3CHCH2CH3 2-Butyl radical butyl2  
550 CH3CH(CH3)CH3 Isobutane isobutane  
551 SiH(CH3)3 trimethylsilane trimsi  
552 C2N2+ Cyanogen cation c2n2+  
553 P4 Phosphorus tetramer p4  
554 HCCCN Cyanoacetylene hcccn  
555 C3H3N acrylonitrile ch2chcn  
556 CH5N3 Guanidine guanidine  
557 CH6N3+ guanidinium ch6n3+  
558 C3H7N Cyclopropylamine cpram  
559 C3H7N Azetidine azet  
560 C2H8N2 Ethylenediamine ethdiam  
561 CH3NHNHCH3 dimethyl hydrazine dmh  
562 CH3CH(NH2)CH3 2-Propanamine pram2  
563 N(CH3)3 Trimethylamine trimeam  
564 As(CH3)3 trimethyl arsine tmas  
565 Li2O2 dilithium dioxide li2o2  
566 B2O2 Diboron dioxide b2o2  
567 CO3-- carbonate co3--  
568 NO3 Nitrogen trioxide no3  
569 NO3+ nitrogen trioxide cation no3+  
570 SO3- Sulfur trioxide anion so3-  
571 SO3+ Sulfur trioxide cation so3+  
572 SeO3 selenium trioxide seo3  
573 TeO3 Tellurium trioxide teo3  
574 HCO3- bicarbonate anion hco3-  
575 HSO3 Hydroxysulfonyl radical hso3  
576 C2H2CO cyclopropenone c2h2co  
577 HCCCHO 2-propynal hcccho  
578 C2H2O2+ Ethanedial cation c2h2o2+  
579 H2CO3 Carbonic acid h2co3  
580 H2CS3 thiocarbonic acid h2cs3  
581 H2NO3+ Nitric Acid, Protonated h2no3+  
582 CH3COO- acetate anion ch3coo-  
583 CH3ONO Methyl nitrite ch3ono  
584 H3BO3 Boric acid h3bo3  
585 H3CO3+ carbonic acid, protonated h3co3+  
586 C3H4O 2-Propyn-1-ol c107197  
587 C3H4O allenol c9000071  
588 C3H4O Cyclopropanone cpone  
589 C3H4O Methylketene c6004440  
590 NH2CONH2+ Urea cation urea+  
591 NH2CSNH2 Thiourea thiourea  
592 C2H4O2 1,3-dioxetane c2h4o2  
593 CH3COOH Acetic acid ch3cooh  
594 CH3OCHO methyl formate ch3ocho  
595 CHOCH2OH hydroxy acetaldehyde haa  
596 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
597 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
598 HCOOHH2O Formic acid water dimer hcoohh2o  
599 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
600 CH3CONH2 Acetamide acetamide  
601 C2H5OO ethylperoxy radical c2h5oo  
602 C3H6O Propylene oxide prox  
603 C3H6S Thietane thietane  
604 C3H6S Thiirane, methyl- methiirane  
605 CH3CSCH3 Thioacetone ch3csch3  
606 C2H6O2 1,2-Ethanediol ethdiol  
607 CH3OOCH3 dimethylperoxide dmp  
608 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
609 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
610 CH3COHCH3+ acetone, protonated acetoneh+  
611 CH3CHOHCH3 Isopropyl alcohol isoproh  
612 C3H7SH 1-Propanethiol prsh  
613 CH3CHSHCH3 2-Propanethiol isoprsh  
614 CH3SCH2CH3 Ethane, (methylthio)- etsme  
615 H2OCH3OCH3 water dimethylether dimer h2och3och3  
616 Na2F2 Sodium Fluoride Dimer na2f2  
617 Na2Cl2 Disodium dichloride na2cl2  
618 C2F2 difluoroacetylene c2f2  
619 C2Cl2 dichloroacetylene c2cl2  
620 C2Cl2+ dichloroacetylene cation c2cl2+  
621 ClNO2 Nitryl chloride clno2  
622 BrONO Bromine nitrite brono  
623 N2F2 (Z)-Difluorodiazene n2f2_z  
624 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
625 COFCl Carbonic chloride fluoride cofcl  
626 CCl2O Phosgene cl2co  
627 Cl2CS Thiophosgene cl2cs  
628 COBr2 Carbonic dibromide cobr2  
629 BF3 Borane, trifluoro- bf3  
630 BF3- Borane, trifluoro- anion bf3-  
631 AlF3 Aluminum trifluoride alf3  
632 AlF2Cl Aluminum chloride difluoride alclf2  
633 AlFCl2 Aluminum dichloride fluoride alcl2f  
634 AlCl3 Aluminum trichloride alcl3  
635 BBr3 Boron tribromide bbr3  
636 AlBr3 Aluminum Bromide albr3  
637 ClO3 Chlorine trioxide clo3  
638 ClO3- chlorate anion clo3-  
639 BrO3- Bromate anion bro3-  
640 CF3 Trifluoromethyl radical cf3  
641 CCl3 Trichloromethyl radical ccl3  
642 CCl3- Trichloromethyl anion ccl3-  
643 CCl3+ Trichloromethyl cation ccl3+  
644 SiCl3 trichlorosilyl radical sicl3  
645 SiCl3+ trichlorosilyl cation sicl3+  
646 FOOF Perfluoroperoxide foof  
647 F2SO Thionyl Fluoride f2so  
648 FSSF Difluorodisulfane fssf  
649 S2F2 Thio-thionyl fluoride s2f2  
650 SOCl2 thionyl chloride socl2  
651 SeOCl2 selenium oxychloride seocl2  
652 NF3- Nitrogen trifluoride anion nf3-  
653 NF3+ Nitrogen trifluoride cation nf3+  
654 PF3 Phosphorus trifluoride pf3  
655 AsF3 Arsenic trifluoride asf3  
656 PCl3 Phosphorus trichloride pcl3  
657 SbF3 Antimony Trifluoride sbf3  
658 SbCl3 Antimony Trichloride sbcl3  
659 PBr3 Phosphorus tribromide pbr3  
660 AsBr3 Arsenic tribromide asbr3  
661 ClSSCl Disulfur dichloride s2cl2  
662 SF3 Sulfur trifluoride sf3  
663 BrF3 Bromine trifluoride brf3  
664 IF3 iodone trifluoride if3  
665 CHF2Cl difluorochloromethane chf2cl  
666 CHFCl2 fluorodichloromethane chfcl2  
667 CDCl3 trichloromethane-d cdcl3  
668 SiHCl3 Trichlorosilane sihcl3  
669 CHF2I difluoroiodomethane chf2i  
670 CHFClI fluorochloroiodomethane chfcli  
671 CHCl2I dichloroiodomethane chcl2i  
672 CHClBr2 Methane, dibromochloro- chclbr2  
673 CHBr3 bromoform chbr3  
674 CHI3 Iodoform chi3  
675 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
676 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
677 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
678 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
679 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
680 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
681 C2H2Br2 1,1-dibromoethene c2h2br2  
682 CH2FCHO Fluoroacetaldehyde ch2fcho  
683 CH3COF Acetyl fluoride ch3cof  
684 CH2ClCHO chloroacetaldehyde ch2clcho  
685 CH3COCl Acetyl Chloride ch3cocl  
686 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
687 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
688 CH2CFCH3 2-fluoropropene 2fpro  
689 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
690 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
691 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
692 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
693 CH3CH2CH2Br n-propyl bromide prbr  
694 CH3CHBrCH3 i-propyl bromide iprbr  
695 C3H9O+ trimethyl oxonium cation c3h9o+  
696 C5H5 cyclopentadienyl radical c5h5  
697 C5H5- cylopentadienyl anion c5h5-  
698 C5H6 1,3-Cyclopentadiene c542927  
699 C5H6 1-Buten-3-yne, 2-methyl- c78808  
700 C5H6 3-Penten-1-yne, (E)- c2004695  
701 C5H6 3-Penten-1-yne, (Z)- c1574409  
702 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
703 C5H6 Cyclopropylacetylene c6746947  
704 C5H7 1,3-pentadienyl radical pdyl  
705 C5H7 cyclopentenyl radical cpyl  
706 C5H8 1,2-Butadiene, 3-methyl- c598254  
707 C5H8 1,2-Pentadiene c591957  
708 C5H8 1,3-Butadiene, 2-methyl- c78795  
709 C5H8 1,3-Pentadiene, (E)- c2004708  
710 C5H8 1,3-Pentadiene, (Z)- c1574410  
711 C5H8 1,4-Pentadiene c591935  
712 C5H8 1-pentyne a1pentyne  
713 C5H8 2,3-Pentadiene c591968  
714 C5H8 Cyclobutane, methylene- c1120565  
715 C5H8 Cyclopentene c142290  
716 CH3CCCH2CH3 2-Pentyne 2pentyne  
717 C5H10 1-Butene, 2-methyl- c563462  
718 C5H10 2-Butene, 2-methyl- c513359  
719 C5H10 2-Pentene, (E)- c646048  
720 C5H10 2-Pentene, (Z)- c627203  
721 C5H10 Cyclopentane c287923  
722 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
723 CH2CHCH2CH2CH3 1-pentene pentene  
724 C5H11 2-Methylbut-2-yl radical c4348350  
725 C5H12 Butane, 2-methyl- buta2  
726 C5H12 Pentane pentane  
727 C5H12 Propane, 2,2-dimethyl- neopentane  
728 Si(CH3)4 tetramethylsilane tms  
729 N2O3 Dinitrogen trioxide n2o3  
730 C3H2N2 Malononitrile c3h2n2  
731 C2H3N3 1H-1,2,4-Triazole c288880  
732 C3H4N2 1H-Pyrazole 1hpyraz  
733 C4H5N (E)-2-Butenenitrile c627269  
734 C4H5N (Z)-2-Butenenitrile c1190767  
735 C4H5N 2H-pyrrole pyrrole2  
736 C4H5N 3H-pyrrole pyrrole3  
737 C4H5N Cyclopropanecarbonitrile c5500210  
738 CH2CHCH2CN Allylcyanide ch2chch2cn  
739 C3H6N2 3-Aminopropionitrile c151188  
740 C5H8 Bicyclo[2.1.0]pentane c185944  
741 C5H8 Spiropentane c157404  
742 C4H9N Cyclobutylamine cbam  
743 C4H9N Pyrrolidine pyrrolidine  
744 C3H10N2 1,2-Diaminopropane diampr12  
745 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
746 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
747 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
748 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
749 NC4H12+ tetramethyl ammonium cation nc4h12+  
750 C3O2+ Carbon suboxide cation c3o2+  
751 CaCO3 Calcium Carbonate caco3  
752 ONONO Nitrosyl nitrite onono  
753 PO4--- phosphate po4---  
754 SO4-- sulfate so4--  
755 HOONO2 peroxy nitric acid hoono2  
756 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
757 C3H2O2 Propiolic acid c3h2o2  
758 CHOCOOH oxo acetic acid oaa  
759 H2SO4 Sulfuric acid h2so4  
760 H2SeO4 Selenic acid h2seo4  
761 CH3C(O)OO acetyl peroxy radical ch3coo2  
762 CH3NO3 Methyl nitrate ch3no3  
763 H3PO4 Phosphoric Acid h3po4  
764 C4H4O+ Furan cation furan+  
765 C4H4S Thiophene furans  
766 C3H4O2 β–Propiolactone beta  
767 C3H4O2 2-Propenoic acid propenoic2  
768 C3H4O2 Methyl glyoxal megly  
769 C3H4O2 propanedial propanedial  
770 C3H4O2 propenalol propenalol  
771 HOCHCCHOH allenediol aldiol  
772 C2H4O3 1,2,3-trioxolane c2h4o3  
773 C2H4O3 trioxolane124 triox  
774 HOCH2COOH Hydroxyacetic acid hac  
775 CH2CHCONH2 Acrylamide c79061  
776 CH5N3S Hydrazinecarbothioamide c79196  
777 H2NCH2COOH Glycine glycine  
778 C4H6O cis-2-butenal butenal2c  
779 C4H6O Cyclobutanone cbutone  
780 C4H6O Furan, 2,3-dihydro- furan23h  
781 C4H6O Furan, 2,5-dihydro- furan25h  
782 CH2CHOCHCH2 Vinyl ether vinylether  
783 CHOCHCHCH3 2-Butenal butenal2  
784 C4H6S Thiophene, 2,3-dihydro- thiop23h  
785 C4H6S Thiophene, 2,5-dihydro- thiop25h  
786 C2H6N2O Urea, methyl- c598505  
787 C3H6O2 1,3-Dioxolane dioxolane  
788 CH3COOCH3 methyl acetate aame  
789 CH3SSSCH3 dimethyl trisulfide c2h6s3  
790 C3H7NO dimethylformamide dmf  
791 C3H7NO Propanamide propanam  
792 C2H3OC2H5 Ethene, ethoxy- c109922  
793 C4H8O Cyclobutanol c2919235  
794 C4H8O Furan, tetrahydro- thf  
795 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
796 CH3COCH2CH3 2-Butanone buta2one  
797 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
798 CHOCH2CH2CH3 Butanal butanal  
799 C3H8O2 1,3-Propanediol c504632  
800 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
801 C3H8O2 Methane, dimethoxy- c109875  
802 C3H8O2 Propylene glycol c57556  
803 C3H8S2 1,3-Propanedithiol c109808  
804 C4H10O 1-Propanol, 2-methyl- c78831  
805 C4H10O 2-Butanol, (.+/-.)- butanol2  
806 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
807 C4H10O Propane, 2-methoxy- c598538  
808 C4H10O+ 1-Butanol cation butanol1+  
809 C2H5SC2H5 Diethyl sulfide etset  
810 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
811 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
812 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
813 FNO3 Fluorine nitrate fno3  
814 ClONO2 Chlorine nitrate clono2  
815 TiCl4 Titanium tetrachloride ticl4  
816 ClO4- perchlorate anion clo4-  
817 BF4- tetrafluoroboron anion bf4-  
818 ClFO3 Perchloryl fluoride clfo3  
819 SO2F2 Sulfuryl fluoride so2f2  
820 SO2Cl2 Sulfuryl chloride so2cl2  
821 F3NO Nitrogen trifluoride oxide f3no  
822 F3PO Phosphoryl fluoride pf3o  
823 Cl3PO Phosphoryl chloride pcl3o  
824 CF4 Carbon tetrafluoride cf4  
825 SiF4 Silicon tetrafluoride sif4  
826 CFCl3 Trichloromonofluoromethane cfcl3  
827 CCl4+ Carbon tetrachloride cation ccl4+  
828 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
829 SiCl4 Silane, tetrachloro- sicl4  
830 CF3I trifluoroiodomethane cf3i  
831 CBrCl3 Methane, bromotrichloro- cbrcl3  
832 CBr2F2 Methane, dibromodifluoro- cbr2f2  
833 GeCl4 Germanium Tetrachloride gecl4  
834 CFClBrI fluorochlorobromoiodomethane cfclbri  
835 CF2I2 difluorodiiodomethane cf2i2  
836 CCl2I2 dichlorodiiodomethane ccl2i2  
837 CBr3I tribromoiododmethane cbr3i  
838 CI4 tetraiodomethane ci4  
839 SiI4 silicon tetraiodide sii4  
840 C2HF3 Trifluoroethylene c2hf3  
841 C2HF3+ Trifluoroethylene cation c2hf3+  
842 CHClCCl2 Trichloroethylene chclccl2  
843 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
844 HClO4 perchloric acid hclo4  
845 HSO3F Fluorosulfonic acid hso3f  
846 CF3OH trifluoromethanol cf3oh  
847 CHClCCHCl 1,3-dichloroallene chclcchcl  
848 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
849 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
850 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
851 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
852 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
853 SiCl3CH3 methyltrichlorosilane sicl3ch3  
854 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
855 NH3BCl3 Amminetrichloroboron nh3bcl3  
856 C3H5ClO Oxirane, (chloromethyl)- c106898  
857 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
858 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
859 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
860 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
861 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
862 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
863 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
864 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
865 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
866 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
867 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
868 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
869 C4H9F 1-fluorobutane butaf1  
870 CH3CHFCH2CH3 2-fluorobutane butaf2  
871 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
872 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
873 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
874 XeF4 Xenon tetrafluoride xef4  
875 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
876 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
877 C6H4 Benzyne benzyne  
878 C6H5 phenyl phenyl  
879 C6H5- phenyl anion phenyl-  
880 C6H6 2,4-Hexadiyne hexadiyne  
881 C6H6 3,4-Dimethylenecyclobutene cb34m  
882 C6H6+ Benzene cation c6h6+  
883 C6H8 (E)-hexa-1,3,5-triene c821078  
884 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
885 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
886 C6H8 1,3-Cyclohexadiene cyhexadiene13  
887 C6H8 1,4-Cyclohexadiene cyhexadiene14  
888 C6H8 3-Methylenecyclopentene c930267  
889 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
890 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
891 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
892 C6H10 1,3-Hexadiene, (E)- hexdi13e  
893 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
894 C6H10 1,4-Hexadiene, (E)- hexdi14t  
895 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
896 C6H10 1-Butyne, 3,3-dimethyl- c917920  
897 C6H10 1-Hexyne hexyne1  
898 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
899 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
900 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
901 C6H10 2-Hexyne c764352  
902 C6H10 cyclohexene cyclohexene  
903 C6H10 Cyclopentene, 1-methyl- c693890  
904 C6H10 Cyclopentene, 3-methyl- c1120623  
905 C6H10 Cyclopentene, 4-methyl- c1759815  
906 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
907 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
908 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
909 C6H12 (E)-2-Hexene e2hexene  
910 C6H12 (E)-3-methylpent-2-ene c616126  
911 C6H12 (Z)-3-methylpent-2-ene c922623  
912 C6H12 (Z)-hex-2-ene z2hexene  
913 C6H12 2,3-dimethyl-but-2-ene tmeet  
914 C6H12 3-methylenepentane c760214  
915 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
916 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
917 C6H12 Cyclohexane cyclohexane  
918 C6H12 Cyclopentane, methyl- c96377  
919 C6H12 Ethylcyclobutane c4806615  
920 C6H14 Butane, 2,2-dimethyl- buta22  
921 C6H14 Butane, 2,3-dimethyl- buta23  
922 C6H14 Hexane hexane  
923 C6H14 Pentane, 2-methyl- penta2  
924 C6H14 Pentane, 3-methyl- penta3  
925 C4N2 2-Butynedinitrile c4n2  
926 C2H2N4 sym-tetrazine ttz  
927 C3H3N3 1,3,5-Triazine triazine135  
928 CH3N5 5-Aminotetrazole c4418615  
929 C4H4N2 1,3-Diazine diazine13  
930 C4H4N2 Pyrazine pyrazine  
931 C4H4N2 Pyridazine pyridazine  
932 C4H4N2 Succinonitrile c110612  
933 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
934 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
935 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
936 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
937 C5H5N E-2,4-pentadienenitrile bdcn  
938 C5H5N Pyridine pyridine  
939 B3N3H6 borazine borazine  
940 C6H6 Fulvene fulvene  
941 C4H6N2 1H-Imidazole, 2-methyl- c693981  
942 C5H7N (E)-2-Pentenenitrile c26294984  
943 C5H7N (E)-3-Pentenenitrile c16529661  
944 C5H7N (Z)-2-Pentenenitrile c25899507  
945 C5H7N 1H-Pyrrole, 1-methyl- c96548  
946 C5H7N Cyclobutanecarbonitrile c4426113  
947 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
948 C5H9N Butanenitrile, 2-methyl- c18936179  
949 C5H9N Pentanenitrile c110598  
950 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
951 C6H10 Bicyclo[3.1.0]hexane c285585  
952 C5H11N Cyclopentanamine cypentam  
953 C5H11N Piperidine piper  
954 C4H12N2 1,2-Butanediamine c4426486  
955 C4H12N2 2-Methyl-1,2-propanediamine c811938  
956 Li2CO3 Lithium Carbonate li2co3  
957 Na2CO3 Sodium Carbonate na2co3  
958 C2O4-- oxalate anion c2o4  
959 C2H3NO3 Oxamic acid oxamic  
960 C4H4O2 2(5H)-Furanone furanone  
961 C4H4O2 2-Oxetanone, 4-methylene- c674828  
962 C2H4N2O2 Oxalamide oxalamide  
963 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
964 C3H4S3 1,3-Dithiolane-2-thione c822388  
965 C4H5NO 3-Methylisoxazole isox3m  
966 C4H5NO Isoxazole, 5-methyl- c5765446  
967 C4H5NS 4-Methylthiazole c693958  
968 C5H6O 2-methylfuran furan2m  
969 C5H6O 3-Methylfuran furan3m  
970 C5H6S Thiophene, 2-methyl- c554143  
971 C5H6S Thiophene, 3-methyl- c616444  
972 C4H6O2 2,3-Butanedione c431038  
973 C4H6O2 2-Propenoic acid, methyl ester c96333  
974 C4H6O2 Crotonic Acid crot  
975 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
976 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
977 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
978 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
979 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
980 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
981 C4H6OS Vinyl sulfoxide c1115157  
982 CH6N4S Carbonothioic dihydrazide thiacarb  
983 C2H6N2O2 (E)-Azodioxymethane c37765154  
984 C2H6N2O2 Dimethylnitroamine c4164287  
985 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
986 C2H6O3S Sulfurous acid, dimethyl ester c616422  
987 C4H7NO 2-Pyrrolidinone c616455  
988 C4H7NO Ethoxyacetonitrile etoaccn  
989 C4H7NO Methacrylamide c79390  
990 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
991 HCONH2CN2H4 formamide aminomethanimine dimer d13  
992 C3H7ONO Propyl nitrite prono  
993 CH3CH(CH3)ONO Isopropyl nitrite c541424  
994 CH3CH(NH2)COOH Alanine alanine  
995 CH3NHCH2COOH Sarcosine sarcosine  
996 NH2CH2CH2COOH β–alanine betaalanine  
997 NH2COOC2H5 Urethane urethane  
998 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
999 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1000 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1001 NH2CONHC2H5 Urea, ethyl- c625525  
1002 C4H8O2 1,3-Dioxane dioxan13  
1003 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1004 C4H8O2 1,4-Dioxane dioxan14  
1005 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1006 C4H8OS s-Ethyl thioacetate c625605  
1007 C3H8O3 1,2,3-Propanetriol glycerin  
1008 C3H8O2S (Methylsulfonyl)ethane c594434  
1009 C4H9NO Butanamide c541355  
1010 C4H9NO Propanamide, 2-methyl- c563837  
1011 C5H10O 2-Butanone, 3-methyl- c563804  
1012 C5H10O 2H-Pyran, tetrahydro- c142687  
1013 C5H10O 2-Pentanone mpk  
1014 C5H10O Cyclopentanol c96413  
1015 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1016 C5H10O Pentanal pal  
1017 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1018 C5H10S 3-Ethylthio-1-propene c5296628  
1019 C5H10S Cyclopentanethiol c1679078  
1020 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1021 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1022 C4H10O2 1,1-Dimethoxyethane c534156  
1023 C4H10O2 1,3-Butanediol budiol13  
1024 C4H10O2 1,4-Butanediol budiol14  
1025 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1026 C4H10OS Diethyl sulfoxide c70291  
1027 C4H10S2 1,4-Butanedithiol budisl14  
1028 C4H11NO Diethylhydroxylamine c3710847  
1029 C5H12O 1-Butanol, 2-methyl- c137326  
1030 C5H12O 1-Butanol, 3-methyl- c123513  
1031 C5H12O 1-Pentanol pentanol1  
1032 C5H12O 2-Butanol, 3-methyl- c598754  
1033 C5H12O 2-Pentanol peol2  
1034 C5H12O 3-Pentanol pentan3ol  
1035 C5H12O Butane, 1-methoxy- meobu  
1036 C5H12O Propane, 1-ethoxy- proet  
1037 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1038 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1039 C5H12S 1-Butanethiol, 3-methyl- c541311  
1040 C5H12S 1-Pentanethiol c110667  
1041 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1042 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1043 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1044 C5H12S Butane, 1-(methylthio)- c628295  
1045 C5H12S Ethyl propyl sulfide c4110503  
1046 C5H12S Propane, 2-(ethylthio)- c5145993  
1047 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1048 CF3CN Acetonitrile, trifluoro- cf3cn  
1049 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1050 B2F4 Diboron tetrafluoride b2f4  
1051 C2F4 Tetrafluoroethylene c2f4  
1052 C2F4+ Tetrafluoroethylene cation c2f4+  
1053 C2FCl3 fluorotrichloroethene c2fcl3  
1054 C2Cl4 Tetrachloroethylene c2cl4  
1055 AsF5 Arsenic pentafluoride asf5  
1056 PCl5 Phosphorus pentachloride pcl5  
1057 SF5 Sulfur pentafluoride sf5  
1058 SbCl5 Antimony pentachloride sbcl5  
1059 BrF5 bromine pentafluoride brf5  
1060 ClF5 chlorinepentafluoride clf5  
1061 CF3CHO trifluoroacetaldehyde cf3cho  
1062 CCl3CHO trichloroacetaldehyde ccl3cho  
1063 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1064 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1065 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1066 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1067 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1068 C4H8Cl2 1,4-Dichlorobutane c110565  
1069 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1070 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1071 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1072 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1073 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1074 C5H11Cl Pentane, 1-chloro- pencl1  
1075 C6H5CH2 benzyl radical benzyl  
1076 C6H5CH3 toluene toluene  
1077 C7H8 cycloheptatriene cht  
1078 C7H8 Norbornadiene norbor  
1079 C7H8 Quadricyclane qucy  
1080 C7H12 Norbornane nor  
1081 C7H14 cycloheptane c7h14  
1082 C7H16 2-methylhexane 2mhex  
1083 C7H16 3-methylhexane hex3m  
1084 C7H16 heptane heptane  
1085 C6H7N 2-Methylpyridine mp  
1086 C6H5NH2 aniline aniline  
1087 C6H13N 2-Methylpiperidine pip2m  
1088 C6H13N cyclohexanamine cham  
1089 C6H15N triethylamine tea  
1090 N2O5 Dinitrogen pentoxide n2o5  
1091 C4H2O3 Maleic Anhydride malan  
1092 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1093 C6H5O phenoxy radical phenoxy  
1094 C5H5NO 2(1H)-Pyridinone c72762006  
1095 C5H5NO 2(3H)-Pyridinone c9000048  
1096 C5H5NO 2(5H)-Pyridinone c9000037  
1097 C5H5NO 2-Pyridinol c109104  
1098 C5H5NO 3(2H)-Pyridinone c9000004  
1099 C5H5NO 3(4H)-Pyridinone c9000026  
1100 C5H5NO 3(6H)-Pyridinone c9000015  
1101 C5H5NO 3-Pyridinol c109002  
1102 C5H5NO 4(1H)-Pryidinone c9000060  
1103 C5H5NO 4(3H)-Pryidinone c9000059  
1104 C5H5NO 4-Pyridinol c626642  
1105 C6H5OH phenol phenol  
1106 C6H6O 2,4-Cyclohexadienone c24599573  
1107 C6H5SH Benzenethiol phsh  
1108 C4H8O2S Sulfolane sulfolane  
1109 CH(C2H3)3 trivinyl methane tvm  
1110 C6H10O cyclohexanone chexo  
1111 C6H12O hexanal c6h12o  
1112 C3H7OC3H7 di-n-propyl ether propr  
1113 CF3COCl trifluoroacetyl chloride cf3cocl  
1114 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1115 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1116 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1117 CCl3CHCl2 pentachloroethane ccl3chcl2  
1118 C6H5F Fluorobenzene bzf  
1119 C6H5Cl chlorobenzene bzcl  
1120 C6H5Br bromobenzene bzbr  
1121 C6H5CCH phenylacetylene phac  
1122 C8H6 benzocyclobutadiene bcbd  
1123 C8H6 Pentalene pentalene  
1124 C6H5CHCH2 Styrene styrene  
1125 C8H8 cyclooctatetraene cot  
1126 C6H5CH2CH3 Ethylbenzene etbz  
1127 CH3C6H4CH3 meta-xylene mxylene  
1128 CH3C6H4CH3 paraxylene pxylene  
1129 C8H18 Octane c8h18  
1130 C6H5CN phenyl cyanide phcn  
1131 C4O4-- squarate dianion c4o4--  
1132 S8 Octasulfur s8  
1133 C6H4O2 parabenzoquinone pbq  
1134 C4H4N2O2 Uracil uracil  
1135 C6H5OCH3 Anisole anisole  
1136 C6H12O2 Methyl pivalate c598981  
1137 C6H12O2 Hexanoic acid hexa  
1138 C4F4 tetrafluorcyclobutadiene c4f4  
1139 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1140 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1141 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1142 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1143 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1144 C2F6 hexafluoroethane c2f6  
1145 IF7 Iodine heptafluoride if7  
1146 C6H4F2 metadifluorobenzene mdfb  
1147 C6H4F2 orthodifluorobenzene odfb  
1148 C9H8 Indene indene  
1149 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1150 C9H12 n-propyl benzene prbz  
1151 C5H4N4 purine purine  
1152 C8H7N Indole indole  
1153 C6H5NO2 Nitrobenzene c6h5no2  
1154 C6H5COOH benzoic acid benzo  
1155 CH3COC6H5 acetophenone acph  
1156 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1157 C10H16 adamantane adamantane  
1158 C6N4 Tetracyanoethylene tcne  
1159 C6N4- tetracyanoethylene anion tcne-  
1160 C4F6 perfluorobutadiene c4f6  
1161 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1162 C3F8 perfluoropropane c3f8  
1163 Fe(CO)5 Iron pentacarbonyl ipc  
1164 Fe(C5H5)2 ferrocene fecp2  
1165 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1166 C12H8 Acenaphthylene acenaph  
1167 C12H10 biphenyl biphenyl  
1168 C12H10 Heptalene heptalene  
1169 C6F6 hexafluorobenzene c6f6  
1170 C14H10 Anthracene anth  
1171 C14H10 Phenanthrene phenanthrene  
1172 C16H10 Pyrene pyrene  
1173 C18H12 Tetracene tetracene