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List of which calculations are completed at B2PLYP /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 He2+ helium diatomic cation 2ΣuD∞h
10 Li Lithium atom 2SKh
11 Li- Lithium atom anion 1SKh
12 K Potassium atom 2SKh
13 LiH Lithium Hydride 1ΣC∞v
14 LiH+ lithium hydride cation 2ΣC∞v
15 KH Potassium hydride 1ΣC∞v
16 Be Beryllium atom 1SKh
17 Mg Magnesium atom 1SKh
18 BeH beryllium monohydride 2ΣC∞v
19 TiH Titanium monohydride 4ΦC∞v
20 ZnH+ Zinc, protonated   
21 BeH2+ Beryllium dihydride cation   
22 MgH2 magnesium dihydride 1ΣgD∞h
23 B Boron atom 2PKh
24 Al Aluminum atom 2PKh
25 Al- Aluminum atom anion 3PKh
26 Al+ Aluminum atom cation 1SKh
27 Sc Scandium atom 2DKh
28 Sc+ Scandium cation 3DKh
29 Ga Gallium atom 2P 
30 Ga- Gallium atom anion 3POh
31 Ga+ Gallium atom cation 1S 
32 BH Boron monohydride 1ΣC∞v
33 BH Boron monohydride 3ΠC∞v
34 ScH Scandium monohydride 1ΣC∞v
35 ScH+ Scandium monohydride cation 2ΣC∞v
36 GaH Gallium monohydride 1ΣC∞v
37 GaH+ Gallium monohydride cation 2ΣC∞v
38 BH3+ boron trihydride cation 2B2C2v
39 BH3+ boron trihydride cation  C2v
40 AlH3 aluminum trihydride 1A1'D3h
41 AlH3- aluminum trihydride anion  C3v
42 ScH3 Scandium trihydride 1A1'D3h
43 ScH3 Scandium trihydride 1A1C3v
44 BH4 borohydride 2B2C2v
45 BH4- borohydride anion 1A1Td
46 C Carbon atom 3P0Kh
47 C- Carbon atom anion 2DKh
48 Si Silicon atom 3PKh
49 Si Silicon atom 1SKh
50 Si- Silicon atom anion 4SKh
51 Ge Germanium atom 3PKh
52 Ge- Germanium anion 4SKh
53 Ge+ Germanium cation 2PKh
54 CH Methylidyne 2Π1/2C∞v
55 SiH Silylidyne 2ΠC∞v
56 SiH+ silicon monohydride cation 1ΣC∞v
57 GeH germylidene 2ΠC∞v
58 GeH+ Germaniun monohyrdide cation 1ΣC∞v
59 CH2 Methylene 3B1C2v
60 CH2 Methylene 3ΣGD∞h
61 CH2 Methylene 1A1C2v
62 CH2- methylene anion 2B1C2v
63 CH2+ methylene cation 2A1C2v
64 CH2+ methylene cation 2ΠD∞h
65 GeH2 germylene 1A1C2v
66 CH3 Methyl radical 2A1D3h
67 CH3- methyl anion 1A1C3v
68 CH3+ methyl cation 1A1'D3h
69 SiH3 Silyl radical 2A1C3v
70 SiH3+ Silyl cation 1A1'D3h
71 GeH3 Germyl radical 2A1C3v
72 GeH3+ germyl cation 1A1'D3h
73 CH4 Methane 1A1Td
74 CH4- Methane anion 2A1Td
75 CH4- Methane anion 2A1C3v
76 SiH2D2 silane-d2   
77 SiH4 Silane 1A1Td
78 GeH4 Germane 1A1Td
79 SiH5+ Silane, protonated   
80 N Nitrogen atom 4SKh
81 P Phosphorus atom 4SKh
82 V Vanadium atom 4FKh
83 V+ Vanadium atom cation 5DKh
84 As Arsenic atomic 4SKh
85 As- Arsenic anion 3PKh
86 As+ Arsenic cation 3PKh
87 PH phosphorus monohydride 3Σ-C∞v
88 AsH Arsenic monohydride 3ΣC∞v
89 NH2 Amino radical 2B1C2v
90 NH2+ Amino cation 3B1C2v
91 NH2+ Amino cation 1A1C2v
92 NH3 Ammonia 1A1C3v
93 NH3- Ammonia anion 2A1C3v
94 NH3+ ammonia cation 2A2"D3h
95 PH3 Phosphine 1A1C3v
96 PH3+ Phosphine cation 2A1C3v
97 AsH3 Arsine 1A1C3v
98 AsH3+ Arsine cation 2A1C3v
99 AsH4+ Arsonium   
100 NH4 Ammonium radical   
101 NH4+ ammonium cation 1A1Td
102 PH4 Phosphoranyl radical   
103 PH4+ phosphonium cation   
104 O Oxygen atom 3SKh
105 S Sulfur atom 3PKh
106 S Sulfur atom   
107 S- Sulfur atom anion 2PKh
108 S+ Sulfur atom cation 4SKh
109 Se Selenium atom 3PKh
110 Se- Selenium atom anion 2PKh
111 Se+ Selenium atom cation 4SKh
112 OH Hydroxyl radical 2ΠC∞v
113 OH- hydroxide anion 1ΣC∞v
114 OH+ hydoxyl cation 3ΣC∞v
115 HS Mercapto radical 2ΠC∞v
116 HS- mercapto anion 1ΣC∞v
117 HS+ sulfur monohydride cation 3ΣC∞v
118 CrH Chromium hydride 6ΣC∞v
119 CrH+ Chromium hydride cation 5ΣC∞v
120 HSe Selenium monohydride 2ΠC∞v
121 HSe- selenium monohydride anion 1ΣC∞v
122 HSe+ selenium monohydride cation 3ΣC∞v
123 H2O Water 1A1C2v
124 H2O- water anion 2A1C2v
125 H2O- water anion 2A'Cs
126 H2O+ water cation 2B1C2v
127 HDO Water-d1 1A1C2v
128 H2S Hydrogen sulfide 1A1C2v
129 H2S+ Hydrogen sulfide cation 2B1C2v
130 H2Se Hydrogen selenide 1A1C2v
131 H2Se+ Hydrogen selenide cation 2B1C2v
132 H3O+ hydronium cation 1A1C3v
133 H3S+ Sulfonium cation 1A1C3v
134 H3Se+ Hydrogen Selenide, protonated 1A1C3v
135 F Fluorine atom 2PKh
136 F- Fluorine atom anion 1SKh
137 F+ Fluorine atom cation 3SKh
138 F+ Fluorine atom cation 1DKh
139 Cl Chlorine atom 2PKh
140 Cl- Chlorine atom anion 1SKh
141 Cl+ Chlorine atom cation 3PKh
142 Cl+ Chlorine atom cation 1DKh
143 Br Bromine atom 2PKh
144 Br- Bromine atom anion 1SKh
145 Br+ Bromine atom cation 3PKh
146 HF Hydrogen fluoride 1ΣC∞v
147 HF- hydrogen fluoride anion 2ΣC∞v
148 HF+ hydrogen fluoride cation 2ΠC∞v
149 HCl Hydrogen chloride 1ΣC∞v
150 HCl- hydrogen chloride anion 2ΣC∞v
151 HCl+ hydrogen chloride cation 2ΠC∞v
152 HBr hydrogen bromide 1ΣC∞v
153 HBr- hydrogen bromide anion 2ΣC∞v
154 HBr+ hydrogen bromide cation 2ΠC∞v
155 H2Cl+ dihydrogen monochloride cation 1A1C2v
156 H2Br+ protonated hydrogen bromide 2A1C2v
157 Ne Neon atom 1SKh
158 Ne Neon atom   
159 Kr Krypton atom 1SKh
160 Kr+ Krypton cation 2PKh
161 HeLi+ Helium Lithium cation   
162 NeH neon hydrogen 2ΣC∞v
163 ArH+ Argon hydride cation 1ΣC∞v
164 KrH+ Protonated Krypton 1ΣC∞v
165 H2Ar H2 Ar dimer 1ΣC∞v
166 NaLi lithium sodium 1ΣC∞v
167 Na2 Sodium diatomic 1ΣgD∞h
168 Na2- sodium diatomic anion 2ΣuD∞h
169 Na2+ sodium diatomic cation 2ΣgD∞h
170 NaK+ Sodium Potassium diatomic cation 1
171 Be2 Beryllium diatomic 1ΣgD∞h
172 BeMg Beryllium Magnesium 1ΣC∞v
173 LiB Lithium boride 3ΠC∞v
174 LiAl Lithium Aluminum   
175 NaAl Sodium aluminum 1ΣC∞v
176 BeB Beryllium monoboride 2ΠC∞v
177 B2 Boron diatomic 3ΣgD∞h
178 B2 Boron diatomic 1ΣgD∞h
179 B2 Boron diatomic 5ΣuD∞h
180 B2+ Boron diatomic cation 2ΠD∞h
181 BAl Boron Aluminum 3ΣC∞v
182 BGa Boron Gallium 3ΣC∞v
183 AlGa Aluminum Gallium 3ΣC∞v
184 AlGa Aluminum Gallium 1ΣC∞v
185 Ga2 Gallium diatomic 3Piu 
186 HBBH Diborane(2) 3ΣGD∞h
187 B2H4 Diborane(4) D2d 1A1D2d
188 HBHHBH Diborane(4) C2V 1A1C2v
189 B2H6 Diborane 1AgD2h
190 B2H6+ Diborane cation   
191 Al2H6 dialane 1AGD2h
192 Ga2H6 digallane 1AGD2h
193 BeC Beryllium Carbide 3Σ-C∞v
194 BeC Beryllium Carbide   
195 CaC Calcium monocarbide   
196 AlC Aluminum carbide 4ΣC∞v
197 BSi Boron silicide 4ΣC∞v
198 BSi Boron silicide 2ΣC∞v
199 C2 Carbon diatomic 1Σg+D∞h
200 C2 Carbon diatomic 3ΠuD∞h
201 C2+ carbon diatomic cation 4ΣgD∞h
202 SiC silicon monocarbide 3ΣC∞v
203 SiC silicon monocarbide 1ΣC∞v
204 GeC Germanium monocarbide 1ΣC∞v
205 SiGe Silicon Germanium   
206 C2H Ethynyl radical 2ΣC∞v
207 C2H- Ethynyl anion 1ΣC∞v
208 C2H2 Acetylene 1ΣgD∞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 C2H5- Ethyl anion 1A'Cs
232 C2H6 Ethane 1A1gD3d
233 C2H6+ ethane cation 2AgCi
234 Si2H6 disilane 1EuD3d
235 LiN Lithium Nitride 3ΣC∞v
236 LiP Lithium monophosphide   
237 LiP Lithium monophosphide   
238 BeN+ Beryllium mononitride cation 3ΣC∞v
239 BeN+ Beryllium mononitride cation 1ΣC∞v
240 MgN Magnesium Nitride   
241 MgN Magnesium Nitride   
242 BP Boron monophosphide 3ΠC∞v
243 BP Boron monophosphide 1ΣC∞v
244 AlP Aluminum monophosphide 3ΣC∞v
245 AlP Aluminum monophosphide 3ΠC∞v
246 AlP Aluminum monophosphide 1ΣC∞v
247 GaP Gallium monophosphide 3ΣC∞v
248 GaP Gallium monophosphide 1ΣC∞v
249 GaAs Gallium arsenide 3Π 
250 GaAs Gallium arsenide 1Σ 
251 BN boron nitride 3ΠC∞v
252 BN boron nitride 1ΣC∞v
253 AlN Aluminum nitride 3ΠiC∞v
254 CN Cyano radical 2ΣC∞v
255 CN- cyanide anion 1ΣC∞v
256 SiP Silicon monophosphide 2ΠC∞v
257 N2 Nitrogen diatomic 1ΣgD∞h
258 N2 Nitrogen diatomic   
259 N2- nitrogen diatomic anion 2ΠgD∞h
260 N2+ diatomic nitrogen cation 2ΣgD∞h
261 PN Phosphorus mononitride 1ΣC∞v
262 P2 Phosphorus diatomic 1ΣgD∞h
263 HCN Hydrogen cyanide 1ΣC∞v
264 HCN+ hydrogen cyanide cation 2ΠC∞v
265 HNC+ hydrogen isocyanide cation   
266 HCP+ Phosphaethyne cation   
267 NNH+ Dinitrogen monohydride cation 1ΣC∞v
268 LiNH2 lithium amide   
269 HBNH Boranimine 1ΣC∞v
270 H2NN Isodiazene   
271 N2H2 (E)-diazene 1AgC2h
272 N2H2 (Z)-Diazene 1A1C2v
273 N2H2+ trans-diazene cation 2AGC2h
274 CH2NH+ Methanimine cation   
275 CHNH2 aminomethylene   
276 CHNH2+ Aminocarbene cation   
277 CH2PH Phosphaethene 1A'Cs
278 BH2NH2 Boranamine   
279 CH2NH2+ methyleneamine cation 1A1C2v
280 N2H4 Hydrazine 1AC2
281 N2H4+ hydrazine cation 2AGC2h
282 CH3NH2 methyl amine 1A'Cs
283 CH3NH2+ methyl amine cation 2A'Cs
284 SiH3NH2 Silane, amino   
285 N2H5+ protonated hydrazine 1A'Cs
286 BH3PH3 borane phosphine   
287 BH3NH3 borane ammonia 1A1C3v
288 CH3NH3 methyl ammonium radical 2A1C3v
289 CH3PH3+ methyl phosphine, protonated 1A1C3v
290 NH3NH3 Ammonia Dimer 1AgC2h
291 NH3NH3 Ammonia Dimer 1A'Cs
292 N2H7+ ammonia ammonium dimer   
293 LiO lithium oxide 2ΣC∞v
294 LiS Lithium monosulfide 2ΠC∞v
295 LiS+ Lithium sulfide cation 3ΣC∞v
296 NaO sodium monoxide 2ΣC∞v
297 KO Potassium monoxide 2ΣC∞v
298 KO+ Potassium monoxide cation 3ΣC∞v
299 NaS Sodium sulfide 2ΠC∞v
300 LiSe Lithium monoselenide   
301 CaS Calcium sulfide 1ΣC∞v
302 BO boron monoxide 2ΣC∞v
303 BS boron sulfide 2ΣC∞v
304 ScO Scandium monoxide 2ΣC∞v
305 GaS Gallium monosulfide   
306 CO Carbon monoxide 1ΣC∞v
307 CO- carbon monoxide anion 2ΠC∞v
308 CO+ carbon monoxide cation 2ΣC∞v
309 SiO Silicon monoxide 1ΣC∞v
310 SiS silicon monosulfide 1ΣC∞v
311 TiO Titanium monoxide 3ΔC∞v
312 CSe Carbon monoselenide 1ΣC∞v
313 GeO Germanium monoxide 1ΣC∞v
314 GeO+ Germanium monoxide cation 2ΣC∞v
315 GeS Germanium monosulfide 1ΣC∞v
316 SiSe Silicon Monoselenide   
317 SiSe+ Silicon Monoselenide cation   
318 GeSe Germanium monoselenide   
319 NO Nitric oxide 2ΠC∞v
320 NO- nitric oxide anion 3ΣC∞v
321 NO+ nitric oxide cation 1ΣC∞v
322 NS Mononitrogen monosulfide 2ΠC∞v
323 PO Phosphorus monoxide 2ΠC∞v
324 PS phosphorus sulfide 2ΣC∞v
325 VO Vanadium monoxide 4Σ- 
326 NSe Nitrogen monoselenide 2ΠC∞v
327 AsS Arsenic monosulfide 2ΠC∞v
328 PSe Phosphorus monoselenide 2ΠC∞v
329 AsSe Arsenic monoselenide 2ΠC∞v
330 O2 Oxygen diatomic 3ΣgD∞h
331 O2- oxygen diatomic anion 2ΠD∞h
332 O2-- dioxygen dianion   
333 O2+ diatomic oxygen cation 2ΠgD∞h
334 SO Sulfur monoxide 3ΣC∞v
335 SO Sulfur monoxide 1ΣC∞v
336 SO+ sulfur monoxide cation 2ΠC∞v
337 S2 Sulfur diatomic 3ΣgD∞h
338 SeO Selenium monoxide 3ΣC∞v
339 Se2 Selenium diatomic 3ΣgD∞h
340 LiOH lithium hydroxide 1ΣC∞v
341 KOH Potassium hydroxide 1ΣC∞v
342 BeOH beryllium monohydroxide 2A'Cs
343 BeOH beryllium monohydroxide 2ΣC∞v
344 HBO Boron hydride oxide 1ΣC∞v
345 HBS hydrogen boron sulfide 1ΣC∞v
346 COH Hydroxymethylidyne   
347 COH+ Carbon Monoxide, protonated 1ΣC∞v
348 HCO Formyl radical 2A'Cs
349 HCO- formyl anion 1A'Cs
350 HCO+ Formyl cation 1ΣC∞v
351 HNO Nitrosyl hydride 1A'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 LiF+ lithium fluoride cation 2ΠC∞v
406 BeF Beryllium monofluoride 2ΣC∞v
407 BeCl beryllium monochloride 2ΣC∞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 HCF Fluoromethylene 1A'Cs
465 HCF Fluoromethylene 3A"Cs
466 HSiF fluorosilylene   
467 HSiCl Chlorosilylene   
468 HSiBr monobromosilylene   
469 HOF Hypofluorous acid 1A'Cs
470 HOCl hypochlorous acid 1A'Cs
471 HOCl+ hypochlorous acid cation   
472 HOBr Hypobromous acid 1A'Cs
473 F2H+ Fluorine, protonated 1A'Cs
474 ClFH+ Chlorine fluoride, F-protonated   
475 FClH+ Chlorine fluoride, Cl-protonated   
476 Cl2H+ Chlorine, protonated 1A'Cs
477 CH2Br bromomethyl radical   
478 CH2F fluoromethyl radical 2ACs
479 CH2F+ fluoromethyl cation   
480 CH2Cl+ chloromethyl cation   
481 CH2Cl chloromethyl radical 2A'Cs
482 CH2Cl chloromethyl radical 2B1C2v
483 NH2Cl chloramine 1A'Cs
484 CH3F+ methyl fluoride cation   
485 CD3F methylfluoride-d3 1A1C3v
486 CH3F Methyl fluoride 1A1C3v
487 CH3Cl Methyl chloride 1A1C3v
488 CH3Cl+ Methyl chloride cation   
489 SiH3F monofluorosilane 1A1C3v
490 SiH3Cl chlorosilane 1A1C1
491 CH3Br methyl bromide 1A1C3v
492 GeH3F monofluorogermane   
493 GeH3Cl monochlorogermane   
494 SiH3Br bromosilane 1A1C3v
495 NH3Cl+ protonated monochloroammonia   
496 CH3ClH+ methyl chloride, protonated   
497 NH4Cl Ammonium chloride   
498 LiNe+ Lithium Neon cation   
499 Ne2+ Neon diatomic cation 2ΣuD∞h
500 Ar2 Argon diatomic 1SgD∞h
501 Ar2+ Argon diatomic cation 2ΣuD∞h
502 Li3 Lithium trimer 2B2C2v
503 Li3+ Lithium trimer cation 1A1'D3h
504 C3 carbon trimer 1ΣgD∞h
505 C3 carbon trimer 1A1C2v
506 SiC2 Silicon dicarbide   
507 C3H3 cyclopropenyl radical 2A'Cs
508 C3H4 cyclopropene 1A1C2v
509 CH2CCH2 allene 1A1D2d
510 C3H5 Allyl radical 2A2C2v
511 C3H6 Cyclopropane 1A1'D3h
512 CH2CHCH3 Propene 1A'Cs
513 C3H7 n-Propyl radical 2A"C1
514 C3H7+ cyclopropane, protonated   
515 CH3CHCH3 Isopropyl radical 2AC2
516 CH3CHCH3+ Isopropyl cation 1AC2
517 C3H8 Propane 1A1C2v
518 Si3H8 trisilane   
519 LiCN lithium cyanide 1ΣC*V LiCN
520 LiCN lithium cyanide 1A'Cs
521 LiCN lithium cyanide 1ΣC*V LiNC
522 NaCN Sodium Cyanide 1ΣC∞v
523 NaCN Sodium Cyanide 1ACs
524 NaCN Sodium Cyanide 1ΣC∞v
525 KCN Potassium cyanide 1ΣC∞v
526 KCN Potassium cyanide 1ΣC∞v
527 KCN Potassium cyanide 1A'Cs
528 ZnCN Zinc monocyanide 2ΣC∞v
529 ZnNC Zinc isocyanide 2ΣC∞v
530 AlCN Aluminum monocyanide   
531 AlNC Aluminum isocyanide   
532 CNN Diazocarbene   
533 N3 azide radical 2ΠgD∞h
534 N3+ azide cation 3ΣgD∞h
535 N3+ azide cation 3ΣC∞v
536 HCCN cyanomethylene 3A"Cs
537 HCCN cyanomethylene 3ΣC∞v
538 HCCN cyanomethylene   
539 HN3 hydrogen azide 1A'Cs
540 HN3+ Hydrazoic acid cation   
541 HNCNH diiminomethane 1AC2
542 NH2CN cyanamide 1A1C2v
543 HNNNH+ 1,2-Triazadienium   
544 NH2NN+ hydrazoic acid, protonated   
545 CH3CN Acetonitrile 1A1C3v
546 CH3CN- acetonitrile anion 2EC3v
547 CH3CN- acetonitrile anion 2A'Cs
548 CHNCH2 2H-Azirine   
549 CHNHCH 1H-Azirine   
550 H2CCNH Ethenimine   
551 H2CNCH methyleneaminomethylene   
552 HCCNH2 Ethynamine   
553 HCNCH2+ 2H-Azirine cation   
554 HNCNH2+ diiminomethane, protonated 1A'Cs
555 NCNH3+ Cyanamide, protonated 1A1C3v
556 NH2CNH+ cyanamide, cn protonated   
557 NH3CN+ cyanamide, amine protonated   
558 CH2CHNH vinylazine 2A"CS cis
559 CH2CHNH vinylazine 2A"CS trans
560 C2H5NH+ Protonated Aziridine 1A1C2v
561 C2H6N+ aziridine, protonated 1A1C2v
562 CH3CH2NH2 Ethylamine   
563 CH3PHCH3 dimethylphosphine 1A'Cs
564 (CH3)2NH2+ dimethylammonium cation 1A1C2v
565 CH3CH2NH3+ ethylamine, protonated 1A'Cs
566 Li2O dilithium oxide 1ΣgD∞h
567 Li2S dilithium sulfide 1ΣGD∞h
568 Li2S dilithium sulfide 1A1C2v
569 Na2O disodium monoxide 1ΣgLinear
570 Na2O disodium monoxide 1A1C2v
571 Na2S Sodium sulfide   
572 Na2S Sodium sulfide   
573 LiO2 Lithium dioxide   
574 NaO2 Sodium superoxide   
575 CCO Dicarbon monoxide 3ΣC∞v
576 CCO Dicarbon monoxide 1ΠC∞v
577 NCO isocyanato radical 2ΠC∞v
578 N2O Nitrous oxide 1ΣC∞v
579 N2O- Nitrous oxide anion 2A'Cs
580 CO2 Carbon dioxide 1ΣgD∞h
581 CO2+ Carbon dioxide cation 2ΠC∞v
582 OCS Carbonyl sulfide 1ΣC∞v
583 CS2 Carbon disulfide 1ΣgD∞h
584 CS2- Carbon disulfide anion 2A1C2v
585 TiO2 Titanium dioxide 1A1C2v
586 SiS2 Silicon disulfide 1ΣGD∞h
587 GeO2 Germanium dioxide 1ΣgD∞h
588 SCSe Carbon sulfide selenide   
589 CSe2 Carbon diselenide 1A1D∞h
590 NO2 Nitrogen dioxide 2A1C2v
591 NO2+ Nitrogen dioxide cation 1ΣGD∞h
592 NSO sulfinyl amidogen   
593 SNO Nitrogen oxide sulfide   
594 O3 Ozone 1A1Cs
595 SO2 Sulfur dioxide 1A1C2v
596 SSO Disulfur monoxide 1A'Cs
597 S3 Sulfur trimer 1A1C2v
598 S3 Sulfur trimer   
599 S3+ Sulfur trimer cation 2B2C2v
600 SeO2 Selenium dioxide 1A1C2v
601 SeO2+ Selenium dioxide cation 2A1C2v
602 HCCO ketenyl radical 2ΠC∞v
603 HCCO ketenyl radical 2A"Cs
604 HCNO fulminic acid 1ΣC∞v
605 HCNO fulminic acid 1A'Cs
606 HNCS Isothiocyanic acid   
607 HSCN thiocyanic acid 1A'Cs
608 HNNO+ Nitrous oxide, N-protonated 1A'Cs
609 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
610 HOCO Hydrocarboxyl radical 1A'cis
611 HOCO Hydrocarboxyl radical 1A'trans
612 O3H+ protonated ozone 1A'Cs
613 O3H+ protonated ozone   
614 SO2H+ protonated sulfur dioxide 1A'Cs
615 C2H2O Oxirene 1A1C2v
616 CH2CO Ketene 1A1C2v
617 CH2CS Thioketene   
618 Be(OH)2 Beryllium hydroxide   
619 Be(OH)2 Beryllium hydroxide   
620 NH2NO Nitrosamide 1AC1
621 H2COO Dioxymethyl radical 2A'Cs
622 H2COO+ dioxymethyl cation 2A'Cs
623 HCOOH Formic acid 1A'Cs
624 HCOOH Formic acid   
625 HSSSH trisulfane 1A'Cs
626 CH2BOH hydroxy(methylene)borane 1A'Cs
627 BH3CO Borane carbonyl 1A1C3v
628 CH3BO Borane, methyloxo- 1A1C3v
629 CH2COH+ ketene, protonated   
630 CH2NOH formaldoxime 1A'Cs
631 CH3NO nitrosomethane 1A'Cs
632 CHONH2 formamide 1A'Planar
633 CHONH2 formamide 1ANon-Planar
634 CNOH3 1,2-oxaziridine 1AC1
635 HOCHNH hydroxymethylimine 1A'CS H all up
636 HOCHNH hydroxymethylimine 1A'CS CH up
637 CHSNH2 thioformamide   
638 NHCHSH Methanimidothioic acid   
639 CH3OO methylperoxy radical 2A"Cs
640 C2H4O Ethylene oxide 1A1C2v
641 C2H4O+ ethylene oxide cation   
642 CH3CHO Acetaldehyde 1A'Cs
643 CH3CHO+ acetaldehyde cation   
644 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
645 C2H4S Thiirane 1A1C2v
646 CH2CHSH Ethenethiol   
647 CH3CHS Thioacetaldehyde 1A'C1
648 NH2CHOH+ Formamide, O-protonated   
649 CH3SSH Hydrogen methyl disulfide   
650 HSCH2SH Methanedithiol   
651 C2H4OH+ ethylene oxide, protonated 1A'Cs
652 CH3CHOH 1-hydroxy-ethyl radical 2AC1
653 CH3CHOH+ acetaldehyde, protonated 1A'Cs
654 NH2CH2OH aminomethanol   
655 CH3CH2OH Ethanol 1A'Cs
656 CH3OCH3 Dimethyl ether 1A1C2v
657 CH3CH2SH ethanethiol 1A'Cs
658 CH3CH2SH ethanethiol 1AC1
659 CH3SCH3 Dimethyl sulfide 1A1C2v
660 CH3SCH3+ dimethyl sulfide cation   
661 CH3SeCH3 dimethylselenide 1A1C2v
662 CuF2 Copper difluoride 2ΠgD∞h
663 CNF iso cyanogen fluoride 1ΣC∞v
664 BrCN Cyanogen bromide 1ΣC∞v
665 FBO Boron monofluoride monoxide   
666 BeBr2 Beryllium bromide   
667 CaBr2 Calcium dibromide   
668 FCO Carbonyl fluoride 2A'Cs
669 FCO+ Carbonyl fluoride cation 1ΣC∞v
670 ClCO carbonyl monochloride 2A'Cs
671 BF2 Boron difluoride radical 2A1C2v
672 FNO Nitrosyl fluoride 1A'Cs
673 ClNO Nitrosyl chloride 1A'Cs
674 FNS Thionitrosyl fluoride 1A'Cs
675 FSN Thiazyl fluoride 1A'Cs
676 OPCl Phosphorus oxychloride   
677 CF2 Difluoromethylene 1A1D∞h
678 CFCl chlorofluoromethylene 1A'Cs
679 SiF2 Silicon difluoride 1A1C2v
680 SiF2+ Silicon difluoride cation 2A1C2v
681 GeCl2 Germanium dichloride 1A1C2v
682 CBr2 dibromomethylene 1A1C2v
683 CBr2 dibromomethylene 3B1C2v
684 FOO+ Fluorine dioxide cation   
685 OClO Chlorine dioxide 2B1D∞h
686 OClO- Chlorine dioxide anion 1A'Cs
687 ClSO Sulfur chloride oxide 2A"Cs
688 BrOO Bromine dioxide   
689 OBrO Bromine dioxide radical 2B1C2v
690 PF2 Phosphorus difluoride   
691 PF2+ Phosphorus difluoride cation   
692 FClO chlorosyl fluoride 1A'Cs
693 ClOF Chlorine hypofluorite 1A'Cs
694 SF2 sulfur difluoride 1A1C2v
695 SeF2 Selenium difluoride   
696 SeCl2 Selenium Dichloride   
697 SBr2 Sulfur dibromide   
698 SeBr2 Selenium dibromide   
699 Br3- tribromide anion   
700 SFCl Sulfur chloride fluoride   
701 HCCF Fluoroacetylene 1ΣC∞v
702 HCCCl Chloroacetylene 1ΣC∞v
703 HCCBr bromoacetylene 1ΣC∞v
704 HFCO+ formyl fluoride cation 2A'Cs
705 CHCl2 dichloromethyl radical 2B1C2v
706 CHCl2 dichloromethyl radical 2A'Cs
707 CHF2 difluoromethyl radical 2ACs
708 CHF2+ difluoromethyl cation   
709 CHFCl Chlorofluoromethyl radical   
710 CHFCl+ Chlorofluoromethyl cation   
711 CHCl2+ dichloromethyl cation   
712 CHBr2 dibromomethyl radical   
713 NHF2 difluoramine   
714 NHCl2 dichloroamine   
715 CH2F2 Methane, difluoro- 1A1C2v
716 SiH2F2 difluorosilane   
717 CH2Cl2 Methylene chloride 1A1C2v
718 CH2BrF Methane, bromofluoro- 1A'Cs
719 CH2BrCl Methane, bromochloro- 1A'Cs
720 CH2FI fluoroiodomethane   
721 CH2Br2 dibromomethane 1A1C2v
722 CH2I2 Diiodomethane   
723 SiH2Cl2 dichlorosilane 1A1C2v
724 CH3MgBr Methyl Magnesium Bromide   
725 CH2CHF Ethene, fluoro- 1A'Cs
726 CH2FOH fluoromethanol   
727 CH2CH2Cl 2-chloroethyl radical 2A'Cs
728 CHClCH3 1-chloroethyl radical 2AC1
729 C2H5Br Ethyl bromide 1A'Cs
730 B4H10 Tetraborane(10) 1A1C2v
731 C4 Carbon tetramer 3ΣgD∞h
732 C4 Carbon tetramer   
733 C4H2 Diacetylene 1ΣgD∞h
734 C4H2+ diacetlyene cation 2ΠgD∞h
735 C4H4 Tetrahedrane   
736 C4H6 1-Methylcyclopropene 1AC1
737 CHCCH2CH3 1-Butyne 1A'Cs
738 CH3CHCHCH2 methylallyl radical 2A"Cs
739 C4H8 methylcyclopropane 1A'Cs
740 CH2CHCH2CH3 1-Butene 1AC1
741 CH3CH2CH2CH3 Butane 1AgAnti
742 CH3CH2CH2CH3 Butane 1AGauche
743 Li3N trilithium nitride 1A'D3h
744 Li3N trilithium nitride 1A1C3v
745 C2N2 Cyanogen 1ΣgD∞h
746 As4 Arsenic tetramer 1A1Td
747 HCCCN+ Cyanoacetylene cation 2ΠC∞v
748 H2CNCN cyanamide, methylene   
749 HNCCNH Ethenediimine   
750 C3H3N+ acrylonitrile cation 2A"Cs
751 CH3N3 methyl azide 1A'Cs
752 NH2CCNH2 Diaminoacetylene 1AC2
753 NH2CCNH2 Diaminoacetylene 1A1D2d
754 NH2CH2CN Aminoacetonitrile 1A'Cs
755 CH3NHN2+ methyl azide, protonated 1AC1
756 C2H5CN ethyl cyanide 1A'Cs
757 C4H6 Bicyclo[1.1.0]butane 1A1C2v
758 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
759 H2NCHCHNH2 diaminoethylene   
760 CH7N3 triaminomethane   
761 C4H8 cyclobutane 1A1D2d
762 NH2CH2CH2CH3 1-Propanamine 1A'Cs
763 P(CH3)3 trimethylphosphine 1A1C3v
764 N(SiH3)3 trisilylamine   
765 (CH3)3NH+ protonated trimethyl amine   
766 C3H7NH3+ n-propylamine, protonated 1A'Cs
767 K2O2 dipotassium dioxide   
768 C3O Tricarbon monoxide 1ΣC∞v
769 ONNO NO dimer 1Agtrans C2H
770 ONNO NO dimer 1A1cis C2V
771 S2N2 Disulfur dinitride 1AGD2h
772 CS3-- Carbonotrithioate   
773 NO3- nitrate anion 1A1'D3h
774 SO3 Sulfur trioxide 1A1'D3h
775 SO3-- Sulfate dianion   
776 S4 Sulfur tetramer   
777 S4 Sulfur tetramer   
778 S4 Sulfur tetramer   
779 HNO3 Nitric acid 1A'Cs
780 NH2NO2 nitramide 1A'Cs
781 C3H2O Propadienal   
782 C3H2O Propadienal   
783 C2H2O2 Ethanedial 1AgC2h
784 H2SO3 Sulfurous acid 1A'Cs
785 C2H3NO Nitrosoethylene   
786 CH3NCO methylisocyante   
787 HOCH2CN cyanomethanol   
788 CH3NO2 Methane, nitro- 1A'Cs
789 NH2COOH Carbamic acid 1A'Cs
790 NH2COOH Carbamic acid 1AC1
791 H3AlO3 Aluminum hydroxide   
792 C3H4O Cyclopropanone 1A1C2v
793 CH2CHCHO Acrolein 1A'Cs
794 CH2CHCHO Acrolein   
795 NH2CONH2 Urea 1A1C2v
796 NH2COOH2+ Carbamic acid, O-protonated 1AC1
797 NH3COOH+ protonated Carbamic acid 1A'Cs
798 CH3COCH2 Acetonyl radical 2A"Cs
799 CH2C(OH)NH2 1-amino vinyl alchohol   
800 CH3C(OH)=NH Ethaninidic acid   
801 CH3CHNOH Acetaldoxime 1A'CS cis
802 HCONHCH3 N-methylformamide 1A'CS cis
803 HCONHCH3 N-methylformamide 1A'CS trans
804 CH3CSNH2 Ethanethioamide   
805 CH5N2O+ urea, N-protonated 1A'Cs
806 H2NCOHNH2+ urea, protonated 1A'Cs
807 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
808 C3H5OH Cyclopropanol 1AC1
809 C3H6O 2-Propen-1-ol 1AC1
810 C3H6O Acetone enol 1A'Cs
811 C3H6O Oxetane 1A1C2v
812 C3H6O Oxetane 1A'Cs
813 CH3CH2CHO Propanal 1A'Cs
814 CH3COCH3 Acetone 1A1C2v
815 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
816 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
817 C3H7OH 1-Propanol   
818 CH3OC2H5 Ethane, methoxy- 1A'Cs
819 Li2F2 Lithium fluoride dimer   
820 FNO2 Nitryl fluoride 1A1C2v
821 FONO Nitrosyl hypofluorite 1A'CS cis
822 ClONO chlorine nitrite 1A'CS cis
823 CF2O Carbonic difluoride 1A1C2v
824 CF2O+ Carbonic difluoride cation   
825 BF3+ boron trifluoride cation 2B2C2v
826 BF3+ boron trifluoride cation   
827 BClF2 Chlorodifluoroborane   
828 ScF3 Scandium trifluoride 1A1'D3h
829 BCl3 Borane, trichloro- 1A1'D3h
830 BCl3+ Boron Trichloride cation   
831 GaF3 Gallium trifluoride 1A1'D3h
832 GaCl3 Gallium trichloride 1A1'D3h
833 CF3 Trifluoromethyl radical 2A1C3v
834 CF3- Trifluoromethyl anion 1A1C3v
835 CF3+ Trifluoromethyl cation 1A1'D3h
836 CF2Cl difluorochloromethyl radical   
837 SiF3 Silicon trifluoride radical 2A1C3v
838 SiF3+ Silicon trifluoride cation 1A1'D3h
839 CFCl2 dichlorofluoromethyl radical   
840 CBr3 tribromomethyl radical   
841 ClO2F Chloryl fluoride 1A'Cs
842 ClOOCl Dichlorine dioxide 1AC2
843 S2F2 Thio-thionyl fluoride 1A'Cs
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 ClF3 Chlorine trifluoride 1A1'D3h
850 ClF3 Chlorine trifluoride 1A1C2v
851 HClO3 Chloric Acid 1A'Cs
852 HClO3 Chloric Acid 1AC1
853 CHF3 Methane, trifluoro- 1A1C3v
854 SiHF3 trifluorosilane   
855 CHBrF2 Methane, bromodifluoro- 1A'Cs
856 CHFClBr fluorochlorobromomethane 1AC1
857 CHBrCl2 Methane, bromodichloro- 1A'Cs
858 CHF2I difluoroiodomethane   
859 CHBr2F dibromofluoromethane   
860 CHFClI fluorochloroiodomethane   
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 CH2ClCHO chloroacetaldehyde 1A'CS eclipsed, cis
869 C2H4F2 1,2-difluoroethane 1AgC2H anti
870 C2H4F2 1,2-difluoroethane 1AC2 gauche
871 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
872 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
873 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
874 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
875 CH2BrCH2Cl 1-bromo-2-chloroethane   
876 CH2BrCH2Cl 1-bromo-2-chloroethane   
877 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
878 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
879 CH2CHCH2F Allyl Fluoride   
880 CH2CHCH2F Allyl Fluoride   
881 CH3CHCHF trans-1-Fluoro-1-propene   
882 CH2FCH2OH 2-fluoroethanol   
883 CH2ClCH2OH 2-Chloroethanol 1A'Cs
884 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
885 CH2FCH2CH3 1-Fluoropropane 1A'Cs
886 CH2FCH2CH3 1-Fluoropropane   
887 CH3CHFCH3 2-Fluoropropane 1A'Cs
888 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
889 B5H9 pentaborane9   
890 C5H4 pentatetraene   
891 C5H6 Propellane 1A1D3h
892 C5H8 Bicyclo[1.1.1]pentane   
893 C5H8 Ethenylcyclopropane 1A'Cs
894 CH2N4 1H-Tetrazole 1A'Cs
895 C3H3N2 imidazolyl radical 2B1C2v
896 C3H3N2- imidizolyl anion 1A1C2v
897 C4H4N pyrrolide radical 2A2C2v
898 C4H4N- pyrrolide anion 1A1C2v
899 C3H4N2 1H-Imidazole 1A'Cs
900 C3H4N2 2H-Imidazole 1A1C2v
901 C3H4N2 4H-Imidazole 1A'Cs
902 C4H5N Pyrrole 1A1C2v
903 C4H6N+ pyrrole, alpha-protonated 1A'Cs
904 C4H6N+ pyrrole, beta-protonated 1A'Cs
905 C4H6N+ pyrrole, protonated 1A1C2v
906 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
907 CH3CH2CH2CN Butanenitrile 1A'Cs
908 NH(C2H5)2 diethylamine 1A'Cs
909 C3O2 Carbon suboxide 1ΣGD∞h
910 B2O3 diboron trioxide   
911 B2O3 diboron trioxide   
912 MgCO3 Magnesium Carbonate 1A1C2v
913 BeCO3 Beryllium Carbonate 1A1C2v
914 HSO4- bisulfate anion 1A'Cs
915 CHOOCHO diformyl ether   
916 C3H3NO Isoxazole 1A'Cs
917 C3H3NO Oxazole 1A'Cs
918 C3H3NS Thiazole   
919 C4H4O Furan 1A1C2
920 CH3COCCH 3-butyn-2-one 1A'Cs
921 C4H4Se selenophene   
922 CH3OCH2CN Methoxyacetonitrile 1A'Cs
923 CH3OCH2CN Methoxyacetonitrile 1AC1
924 CH3SO2NH2 methanesulfonamide 1A'Cs
925 CH2CHSCHCH2 Divinyl sulfide   
926 CH3CH2COOH Propanoic Acid 1A'Cs
927 HCOOC2H5 Ethyl formate 1A'Cs
928 C2H6O2S Dimethyl sulfone 1A1C2v
929 C4H8S Thiophene, tetrahydro- 1AC1
930 C4H10O 1-Butanol 1A'Cs
931 C4H10O Ethoxy ethane 1A1C2v
932 C4H10O Methyl propyl ether 1AC1
933 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
934 C4H9SH 1-Butanethiol   
935 BrONO2 Bromine nitrate 1A'Cs
936 CF3Cl Methane, chlorotrifluoro- 1A1C3v
937 CF2Cl2 difluorodichloromethane 1A1C2v
938 TiF4 Titanium tetrafluoride 1A1Td
939 CF3Br Bromotrifluoromethane 1A1C3v
940 GeF4 Germanium tetrafluoride 1A1Td
941 CCl4 Carbon tetrachloride 1A1Td
942 CBrCl2F bromodichlorofluoromethane   
943 CBr2F2 Methane, dibromodifluoro- 1A'C2v
944 CBr2ClF dibromochlorofluoromethane   
945 CBr2Cl2 dibromodichloromethane 1A1C2v
946 CFBr3 fluorotribromomethane 1A1C3v
947 CBr3Cl tribromochloromethane 1A1C3v
948 CBr4 Carbon tetrabromide 1A1Td
949 SiBr4 Silicon tetrabromide 1A1Td
950 GeBr4 Germanium tetrabromide   
951 ClOF3 Chlorine trifluoride oxide 1A'Cs
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 C3H2O3 vinylene carbonate   
990 C2H2O4 Oxalic Acid 1AgC2h
991 C2H4N2S2 Ethanedithioamide 1AGC2h
992 C2H4CO3 Ethylene carbonate 1A1C2v
993 C2H4CO3 Ethylene carbonate 1AC2
994 C2H4O4 Formic acid dimer 1AGC2h
995 C2H5NO3 Nitric acid, ethyl ester 1A'C1
996 C5H6O 2H-Pyran   
997 C5H6O Pentadienal   
998 C4H6O2 γ–Butyrolactone 1AC1
999 C3H6S3 1,3,5-Trithiane 1A1C3v
1000 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
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 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1021 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1022 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1023 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1024 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1025 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1026 CF3COOH trifluoroacetic acid 1A'Cs
1027 C4H3ClO Furan, 2-chloro 1A'Cs
1028 C4H3ClO Furan,3-chloro 1A'Cs
1029 C4H8O2 Butanoic acid 1AC1
1030 C7H7 cycloheptatrienyl radical 2A2C2v
1031 C7H7+ cycloheptatrienyl cation 1A1'D7h
1032 CH(CN)3 tricyanomethane   
1033 HN=C=C(CN)2 Dicyanoketenimine   
1034 C5H4O2 furfural 1A'OCCO cis
1035 C5H4O2 furfural 1A'OCCO trans
1036 C6H6O 2,5-Cyclohexadienone 1A1C2v
1037 HO2CCHNH2CH2OH Serine 1AC1
1038 C5H8O2 Acetylacetone   
1039 C7H10 Norbornene   
1040 C6H12O Oxepane   
1041 F2CCCF2 tetrafluoroallene   
1042 CF3COO- trifluoro acetate anion 1A'Cs
1043 CF3COF trifluoroacetyl fluoride 1A'Cs
1044 PF6 Hexafluorophosphate neutral 2B2C2v
1045 PF6- Hexafluorophosphate ion 1A1GOh
1046 SF6 Sulfur Hexafluoride 1A1GOh
1047 SeF6 Selenium hexafluoride 1A1GOh
1048 SF5Cl sulfur chloropentafluoride 1A1C4v
1049 CF3CHF2 pentafluoroethane 1A'Cs
1050 C8H6 Calicene 1A1C2v
1051 C8H8 cubane 1A1GOh
1052 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1053 C8H16 cyclooctane 1A1D4d
1054 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1055 C6H12N2 Triethylenediamine 1A1D3
1056 S4N4 Tetrasulfur tetranitride   
1057 C6H5CHO benzaldehyde 1A'Cs
1058 C5H9NO2 Proline 1AC1
1059 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1060 C2Cl6 hexachloroethane 1A1gD3d
1061 C6H4F2 1,4-difluorobenzene 1AgD2h
1062 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1063 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1064 C6H4Cl2 1,4-dichlorobenzene   
1065 C6H5NO nitrosobenzene 1A'Cs
1066 C9H20 Nonane 1A1C2v
1067 C(CN)4 tetracyanomethane 1A1Td
1068 C3H3N3O3 cyanuric acid 1A1'D3h
1069 C3F6 hexafluoropropene   
1070 C6H3F3 Benzene trifluoride 123 1A1C2v
1071 C8H18O 1-Octanol   
1072 C10H8 Azulene 1A1C2v
1073 C10H8 naphthalene 1AgD2h
1074 C10H10 bullvalene   
1075 C10H22 Decane 1AGC2h
1076 B12H12-- Dodecahydrododecaborate(2-)   
1077 C12H8 biphenylene 1AgD2h
1078 C6H12O6 Inositol 1A1GD3d
1079 S2F10 disulphur decafluoride   
1080 C13H10 Fluorene   
1081 C14H14 Bibenzyl 1AC2
1082 C12H10N2 azobenzene 1AGC2h
1083 C6H5COC6H5 benzophenone 1AC2
1084 C19H16 Triphenylmethane 1AC3
1085 C24H12 Coronene 1A1GD6h
1086 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 anion he-  
9 HeH Helium hydride heh  
10 HeH+ Helium hydride cation heh+  
11 Li+ Lithium atom cation li+  
12 Na- Sodium atom anion na-  
13 Na+ Sodium atom cation na+  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH- lithium hydride anion lih-  
20 NaH sodium hydride nah  
21 NaH- sodium hydride anion nah-  
22 CuH Copper monohydride cuh  
23 Be- Beryllium atom anion be-  
24 Be+ Beryllium atom cation be+  
25 Mg- Magnesium atom anion mg-  
26 Mg+ Magnesium atom cation mg+  
27 Ca Calcium atom ca  
28 Ca- Calcium atom anion ca-  
29 Ca+ Calcium atom cation ca+  
30 Zn Zinc atom zn  
31 Zn- Zinc atom anion zn-  
32 Zn+ Zinc atom cation zn+  
33 BeH- berylium monohydride anion beh-  
34 BeH+ beryllium monohydride cation beh+  
35 MgH magnesium monohydride mgh  
36 MgH- magnesium monohydride anion mgh-  
37 MgH+ magnesium monohydride cation mgh+  
38 CaH+ Calcium monohydride cation cah+  
39 ZnH Zinc monohydride znh  
40 BeH2 beryllium dihydride beh2  
41 CaH2 Calcium Hydride cah2  
42 ZnH2 Zinc hydride znh2  
43 B- Boron atom anion b-  
44 B+ Boron atom cation b+  
45 BH- boron monohydride anion bh-  
46 BH+ boron monohydride cation bh+  
47 AlH aluminum monohydride alh  
48 AlH- aluminum monohydride anion alh-  
49 AlH+ aluminum monohydride cation alh+  
50 BH2 boron dihydride bh2  
51 BH2+ Boron dihydride cation bh2+  
52 AlH2 aluminum dihydride alh2  
53 AlH2- aluminum dihydride anion alh2-  
54 AlH2+ aluminum dihydride cation alh2+  
55 BH3 boron trihydride bh3  
56 BH3- boron trihydride anion bh3-  
57 AlH3+ aluminum trihydride cation alh3+  
58 GaH3 Gallium trihydride gah3  
59 AlH4- Aluminum tetrahydride anion alh4-  
60 C- Carbon atom anion c-  
61 C+ Carbon atom cation c+  
62 Si+ Silicon atom cation si+  
63 Ti Titanium atom ti  
64 Ti- Titanium atom anion ti-  
65 Ti+ Titanium atom cation ti+  
66 Sn Tin atom sn  
67 Sn+ Tin cation sn+  
68 CH- methylidyne anion ch-  
69 CH+ Methylidyne cation ch+  
70 SiH2 silicon dihydride sih2  
71 SiH2- silicon dihydride anion sih2-  
72 SiH2+ silicon dihydride cation sih2+  
73 SiH3- Silyl anion sih3-  
74 CD4 methane-d4 cd4  
75 CH2D2 methane-d2 ch2d2  
76 CH3D methane-d ch3d  
77 CH4+ Methane cation ch4+  
78 CHD3 methane-d3 chd3  
79 SnH4 Stannane snh4  
80 N- Nitrogen atom anion n-  
81 N+ Nitrogen atom cation n+  
82 P- Phosphorus atom anion p-  
83 P+ Phosphorus atom cation p+  
84 Sb Antimony atom sb  
85 NH Imidogen nh  
86 NH- Imidogen anion nh-  
87 NH+ imidogen cation nh+  
88 PH- phosphorus monohydride anion ph-  
89 PH+ phosphorus monohydride cation ph+  
90 SbH Antimony monohydride sbh  
91 ND2 Amidogen-d2 nd2  
92 NH2- amino anion nh2-  
93 PH2 Phosphino radical ph2  
94 PH2- Phosphino anion ph2-  
95 PH2+ Phosphino cation ph2+  
96 AsH2 Arsenic dihydride ash2  
97 AsH2+ Arsenic dihydride cation ash2+  
98 ND3 Ammonia-d3 nd3  
99 SbH3 Stibine sbh3  
100 O- Oxygen atom anion o-  
101 O+ Oxygen atom cation o+  
102 Cr Chromium atom cr  
103 Te Tellurium atom te  
104 Te+ Tellurium atom cation te+  
105 DO Hydroxyl-d od  
106 DS Mercapto-d ds  
107 TeH Telluryl radical teh  
108 D2O Deuterium oxide d2o  
109 D2S Hydrogen sulfide-d2 d2s  
110 H2Te Hydrogen Telluride h2te  
111 Mn Manganese atom mn  
112 I Iodine atom iodine  
113 I- Iodine atom anion iodine-  
114 I+ Iodine atom cation iodine+  
115 DF Hydrofluoric acid-d df  
116 DCl Hydrochloric acid-d dcl  
117 HI Hydrogen iodide hi  
118 HI+ Hydrogen iodide cation hi+  
119 H2F+ dihydrogen fluoride cation h2f+  
120 H2I+ Iodonium h2i+  
121 Ne- Neon atom anion ne-  
122 Ar Argon atom ar  
123 Ar- Argon atom anion ar-  
124 Ar+ Argon atom cation ar+  
125 Fe Iron atom fe  
126 Xe Xenon atom xe  
127 NeH+ neon hydrogen cation neh+  
128 XeH+ Xenon, protonated xeh+  
129 Co Cobalt atom cobalt  
130 Ni Nickel atom ni  
131 Li2 Lithium diatomic li2  
132 Li2- lithium diatomic anion li2-  
133 NaLi- lithium sodium anion lina-  
134 NaLi+ lithium sodium cation lina+  
135 LiK Lithium Potassium lik  
136 NaK Sodium Potassium nak  
137 K2 Potassium diatomic k2  
138 Cu2 Copper diatomic cu2  
139 Be2- Beryllium diatomic anion be2-  
140 Be2+ Beryllium diatomic cation be2+  
141 Mg2 Magnesium diatomic mg2  
142 Mg2- magnesium diatomic anion mg2-  
143 Mg2+ magnesium diatomic cation mg2+  
144 Ca2 Calcium diatomic ca2  
145 B2- Boron diatomic anion b2-  
146 Al2 Aluminum diatomic al2  
147 Al2- aluminum diatomic anion al2-  
148 Al2+ aluminum diatomic cation al2+  
149 LiBH4 Lithium borohydride libh4  
150 BC- boron monocarbide anion bc-  
151 BC+ boron monocarbide cation bc+  
152 C2- carbon diatomic anion c2-  
153 SiC- silicon monocarbide anion sic-  
154 SiC+ silicon monocarbide cation sic+  
155 Si2 Silicon diatomic si2  
156 Si2- silcon diatomic anion si2-  
157 Si2+ silcon diatomic cation si2+  
158 C2H+ Ethynyl cation c2h+  
159 ZnCH2 Zinc methylene znch2  
160 CCH2 vinylidene vinylidene  
161 CuCH3 monomethyl copper cuch3  
162 ZnCH3 Zinc monomethyl znch3  
163 CH3CH methylmethylene ch3ch  
164 CH2SiH2 silaethylene ch2sih2  
165 C2H5+ Ethyl cation c2h5+  
166 CH3SiH3 methyl silane ch3sih3  
167 GeH3CH3 methyl germane geh3ch3  
168 C2H7+ Ethane, protonated c2h7+  
169 LiN+ Lithium Nitride cation lin+  
170 BeN- Beryllium mononitride anion ben-  
171 BN- boron nitride anion bn-  
172 AlN- aluminum mononitride anion aln-  
173 AlN+ aluminum mononitride cation aln+  
174 BN+ boron nitride cation bn+  
175 CN+ Cyano cation cn+  
176 CP Carbon monophosphide cp  
177 CP- carbon monophosphide anion cp-  
178 CP+ carbon monophosphide cation cp+  
179 SiN Silicon nitride sin  
180 SiN- silicon mononitride anion sin-  
181 SiN+ silicon mononitride cation sin+  
182 SiP- Silicon monophosphide anion sip-  
183 SiP+ Silicon monophosphide cation sip+  
184 TiN Titanium mononitride tin  
185 PN- phosphorus nitride anion pn-  
186 PN+ phosphorus nitride cation pn+  
187 P2- phosphorus diatomic anion p2-  
188 P2+ phosphorus diatomic cation p2+  
189 AsN Arsenic mononitride asn  
190 AsP Arsenic monophosphide asp  
191 SbN Antimony nitride sbn  
192 As2 Arsenic diatomic as2  
193 HNB hydrogen nitrogen boron hnb  
194 HNC hydrogen isocyanide hnc  
195 HCN- Hydrogen cyanide anion hcn-  
196 HCP Phosphaethyne hcp  
197 NNH Dinitrogen monohydride nnh  
198 HPO Hydrogen phosphorus oxide hpo  
199 HPO+ Hydrogen phosphorus oxide cation hpo+  
200 CNH2+ N-protonated hydrogen isocyanide cnh2+  
201 H2CN+ hydrocyanonium cation h2cn+  
202 HCNH+ N-protonated HCN hcnh+  
203 P2H4 Diphosphine p2h4  
204 CH3PH2 Methyl phosphine ch3ph2  
205 CH3NH3+ protonated methylamine ch3nh3+  
206 LiO- lithium oxide anion lio-  
207 LiO+ lithium oxide cation lio+  
208 NaO- sodium oxide anion nao-  
209 NaO+ sodium oxide cation nao+  
210 CuO Copper Monoxide cuo  
211 BeO beryllium oxide beo  
212 BeO- Beryllium monoxide anion beo-  
213 BeS beryllium sulfide bes  
214 MgO magnesium oxide mgo  
215 MgO- magnesium oxide anion mgo-  
216 MgO+ magnesium oxide cation mgo+  
217 MgS magnesium sulfide mgs  
218 MgS- magnesium sulfide anion mgs-  
219 MgS+ magnesium sulfide cation mgs+  
220 ZnO zinc monoxide zno  
221 ZnS Zinc sulfide zns  
222 BeS- Beryllium monosulfide anion bes-  
223 BeS+ Beryllium monosulfide cation bes+  
224 BO- boron monoxide anion bo-  
225 AlO Aluminum monoxide alo  
226 AlO- Aluminum monoxide anion alo-  
227 AlO+ aluminum monoxide cation alo+  
228 BS- boron monosulfide anion bs-  
229 BS+ boron monosulfide cation bs+  
230 AlS Aluminum sulfide als  
231 AlS- aluminum monosulfide anion als-  
232 AlS+ aluminum monosulfide cation als+  
233 BO+ boron monoxide cation bo+  
234 CS carbon monosulfide cs  
235 CS- carbon monosulfide anion cs-  
236 CS+ carbon monosulfide cation cs+  
237 SiO- silicon monoxide anion sio-  
238 SiO+ silicon monoxide cation sio+  
239 SiS- silicon monosulfide anion sis-  
240 SiS+ silicon monosulfide cation sis+  
241 CSe- Carbon monoselenide anion cse-  
242 CSe+ Carbon monoselenide cation cse+  
243 NS+ nitrogen sulfide cation ns+  
244 PO- phosphorus monoxide anion po-  
245 PO+ phosphorus monoxide cation po+  
246 PS- phosphorus monosulfide anion ps-  
247 PS+ phosphorus monosulfide cation ps+  
248 AsO Arsenic monoxide aso  
249 SO- sulfur monoxide anion so-  
250 S2- sulfur diatomic anion s2-  
251 S2+ sulfur diatomic cation s2+  
252 SeO- selenium monoxide anion seo-  
253 SeO+ selenium monoxide cation seo+  
254 SeS Selenium monosulfide ses  
255 SeS- selenium monosulfide anion ses-  
256 SeS+ selenium monosulfide cation ses+  
257 TeO Tellurium monoxide teo  
258 Se2- selenium diatomic anion se2-  
259 Se2+ selenium diatomic cation se2+  
260 Te2 Tellurium diatomic te2  
261 NaOH sodium hydroxide naoh  
262 MgOH magnesium hydroxide mgoh  
263 CaOH Calcium monohydroxide caoh  
264 HCS Thioformyl radical hcs  
265 HCS- Thioformyl anion hcs-  
266 HCS+ Thioformyl cation hcs+  
267 HNO- Nitrosyl hydride anion hno-  
268 HNS Sulfur imide hns  
269 HO2- Hydroperoxy anion ho2-  
270 HOCH hydroxycarbene hoch  
271 CH3O Methoxy radical ch3o  
272 CH3S thiomethoxy ch3s  
273 NH3O Ammonia Oxide nh3o  
274 H2POH Phosphinous acid h2poh  
275 H3PO Phosphine oxide h3po  
276 H3O2+ hydrogen peroxide, protonated h3o2+  
277 CH3SeH Methane selenol ch3seh  
278 CH3OH2+ Methanol, protonated ch3oh2+  
279 H2ONH3 Water Ammonia Dimer h2onh3  
280 LiCl- lithium chloride anion licl-  
281 LiCl+ lithium chloride cation licl+  
282 NaF- sodium fluoride anion naf-  
283 KF Potassium Fluoride kf  
284 NaCl- sodium chloride anion nacl-  
285 NaCl+ sodium chloride cation nacl+  
286 KCl Potassium Chloride kcl  
287 CuF Copper monofluoride cuf  
288 LiBr- lithium bromide anion libr-  
289 LiBr+ lithium bromide cation libr+  
290 CuCl Copper monochloride cucl  
291 NaBr Sodium Bromide nabr  
292 NaBr- sodium bromide anion nabr-  
293 NaBr+ sodium bromide cation nabr+  
294 KBr Potassium Bromide kbr  
295 LiI Lithium Iodide lii  
296 NaI Sodium Iodide nai  
297 KI Potassium Iodide ki  
298 LiF- lithium fluoride anion lif-  
299 BeF- Beryllium monofluoride anion bef-  
300 BeF+ Beryllium monofluoride cation bef+  
301 MgF Magnesium monofluoride mgf  
302 MgF- magnesium fluoride anion mgf-  
303 CaF Calcium monofluoride caf  
304 MgCl magnesium monochloride mgcl  
305 MgCl- magnesium monochloride anion mgcl-  
306 MgCl+ magnesium monochloride cation mgcl+  
307 CaCl calcium monochloride cacl  
308 ZnF- Zinc monofluoride anion znf-  
309 ZnF+ Zinc monofluoride cation znf+  
310 ZnCl Zinc monochloride zncl  
311 BeCl- beryllium monochloride anion becl-  
312 BeCl+ beryllium monochloride cation becl+  
313 BF- Boron monofluoride anion bf-  
314 BF+ Boron monofluoride cation bf+  
315 AlF- Aluminum monofluoride anion alf-  
316 AlF+ Aluminum monofluoride cation alf+  
317 BCl boron monochloride bcl  
318 BCl- boron monochloride anion bcl-  
319 BCl+ boron monochloride cation bcl+  
320 AlCl- aluminum monochloride anion alcl-  
321 AlCl+ aluminum monochloride cation alcl+  
322 BBr Boron monobromide bbr  
323 AlI Aluminum monoiodide ali  
324 CF- carbon monofluoride anion cf-  
325 CF+ carbon monofluoride cation cf+  
326 CCl carbon monochloride ccl  
327 CCl- carbon monochloride anion ccl-  
328 CCl+ carbon monochloride cation ccl+  
329 SiCl- silicon monochloride anion sicl-  
330 SiCl+ silicon monochloride cation sicl+  
331 NF nitrogen fluoride nf  
332 NF- nitrogen monofluorine anion nf-  
333 NF+ nitrogen monofluoirde cation nf+  
334 NCl- nitrogen monochloride anion ncl-  
335 NCl+ nitrogen monochloride cation ncl+  
336 PF phosphorus monofluoride pf  
337 PF- phosphorus monofluoride anion pf-  
338 PF+ phosphorus monofluoride cation pf+  
339 PCl phosphorus chloride pcl  
340 PCl- phosphorus monochloride anion pcl-  
341 PCl+ phosphorus monochloride cation pcl+  
342 SbF Antimony monofluoride sbf  
343 SbCl Antimony monochloride sbcl  
344 FO- flourine oxide anion fo-  
345 FO+ fluorine monoxide cation fo+  
346 ClO- chlorine monoxide anion clo-  
347 SF- sulfur monofluoride anion sf-  
348 SCl- sulfur monochloride anion scl-  
349 BrO- Bromine monoxide anion bro-  
350 IO Iodine monoxide io  
351 ClF- clorine monofluoride anion clf-  
352 BrF- bromine fluoride anion brf-  
353 BrF+ bromine fluoride cation brf+  
354 BrCl- bromine chloride anion brcl-  
355 BrCl+ bromine chloride cation brcl+  
356 IF Iodine monofluoride if  
357 ICl Iodine monochloride icl  
358 IBr Iodine monobromide ibr  
359 I2 Iodine diatomic i2  
360 I2+ Iodine diatomic cation i2+  
361 HCCl Chloromethylene hccl  
362 CHBr bromomethylene chbr  
363 DOCl Hypochlorous acid-d docl  
364 HOI Hypoiodous acid hoi  
365 FHF Hydrogen difluoride fhf  
366 FHF- Hydrogen difluoride anion fhf-  
367 NH2F monofluoroamine nh2f  
368 H2F2 Hydrogen fluoride dimer h2f2  
369 CD3Cl methyl chloride d3 cd3cl  
370 CH3I methyl iodide ch3i  
371 SiH3I Silyl Iodide sih3i  
372 Ne2 Neon diatomic ne2  
373 C3+ carbon trimer cation c3+  
374 C3H3 Propargyl radical propargyl  
375 C3H3- Propargyl anion c3h3-  
376 C3H3+ cyclopropenyl cation cpr+  
377 C3H3+ Propargyl cation c3h3+  
378 C3H5+ Allyl cation allyl+  
379 Zn(CH3)2 dimethyl zinc dmz  
380 SiH2(CH3)2 dimethylsilane dms  
381 CuCN Copper cyanide cucn  
382 CN2 3H-Diazirin-3-ylidene cn2  
383 N3- azide anion n3-  
384 HCNN diazomethyl radical hcnn  
385 CH2N2 diazirine ch2n2  
386 CH2NN diazomethane ch2nn  
387 CH3CN+ Acetonitrile cation ch3cn+  
388 CH3NC methyl isocyanide ch3nc  
389 NHCHNH2 aminomethanimine cn2h4  
390 C2H5N Aziridine c2h5n  
391 CH2CHNH2 aminoethene aminoethene  
392 CH2NCH3 N-methylmethanimine nmm  
393 CH3CHNH ethanimine ethanimine  
394 NH2BHNH2 diaminoborane nh2bhnh2  
395 NH2CH2NH2 diaminomethane nh2ch2nh2  
396 CH3NHCH3 Dimethylamine ch3nhch3  
397 NH2CH2NH3+ diaminoethane, protonated pdam  
398 CNO- fulminate cno-  
399 NCO- cyanate nco-  
400 SCN thiocyanato radical scn  
401 SCN- thiocyanide anion scn-  
402 BO2 Boron dioxide bo2  
403 BO2- Boron dioxide anion bo2-  
404 BO2+ Boron dioxide cation bo2+  
405 N2O+ Nitrous oxide cation n2o+  
406 NNS Nitrogen sulfide nns  
407 PPO Phosphorus oxide phosphide ppo  
408 CO2- Carbon dioxide anion co2-  
409 OCS+ Carbonyl sulfide cation cos+  
410 SiO2 silicon dioxide sio2  
411 CS2+ Carbon disulfide cation cs2+  
412 GeS2 Germanium disulfide ges2  
413 SCTe Carbon sulfide Telluride scte  
414 NO2- Nitrogen dioxide anion no2-  
415 PO2 Phosphorus dioxide po2  
416 PO2- Phosphorus dioxide anion po2-  
417 PO2+ Phosphorus dioxide cation po2+  
418 O3- Ozone anion o3-  
419 O3+ Ozone cation o3+  
420 SO2- Sulfur dioxide anion so2-  
421 SO2+ Sulfur dioxide cation so2+  
422 TeO2 Tellurium Dioxide teo2  
423 CS2H+ Carbon disulfide, protonated cs2h+  
424 HNCO Isocyanic acid hnco  
425 HOCN cyanic acid hocn  
426 HCO2- formate anion hco2-  
427 HNNO nitrosoazane hnno  
428 HOCO+ Hydrocarboxyl cation hoco+  
429 HNO2 Nitrous acid hno2  
430 HNO2+ nitrous acid cation hno2+  
431 CH2CO+ Ketene cation ch2co+  
432 HCCOH ethynol hccoh  
433 Mg(OH)2 Magnesium dihydroxide h2mgo2  
434 CH2O2 Dioxirane diox  
435 H2O3 Hydrogen trioxide h2o3  
436 NaOCH3 Sodium methoxide naoch3  
437 CH2CHO Vinyloxy radical ch2cho  
438 CH3CO Acetyl radical ch3co  
439 CH3CO- Acetyl anion ch3co-  
440 CH3CO+ acetyl cation ch3co+  
441 CH2OOH CH2OOH radical ch2ooh  
442 CH3OO- methylperoxy anion ch3oo-  
443 CH3OO+ methylperoxy cation ch3oo+  
444 CH2CHOH ethenol ch2choh  
445 H2CONH2+ protonated formamide h2conh2+  
446 NH3CHO+ Formamide, N-Protonated nh3cho+  
447 CH2(OH)2 methanediol ch2o2h2  
448 CH3OOH Methyl peroxide ch3ooh  
449 H2OH2CO water formaldehyde dimer h2oh2co  
450 CH3OHH2O methanol water dimer ch3ohh2o  
451 H2OCH3OH water methanol dimer h2och3oh  
452 ZnF2 Zinc difluoride znf2  
453 FCN Cyanogen fluoride fcn  
454 ClCN chlorocyanogen clcn  
455 ICN Cyanogen iodide icn  
456 BeF2 Beryllium fluoride bef2  
457 MgF2 Magnesium fluoride mgf2  
458 BeCl2 Beryllium chloride becl2  
459 MgCl2 Magnesium dichloride mgcl2  
460 CaCl2 Calcium Chloride cacl2  
461 ZnCl2 Zinc dichloride zncl2  
462 CaF2 Calcium difluoride caf2  
463 BrNO Nitrosyl bromide brno  
464 INO Nitrosyl iodide ino  
465 CF2- Difluoromethylene anion cf2-  
466 CF2+ Difluoromethylene cation cf2+  
467 CCl2 dichloromethylene ccl2  
468 CCl2- dichloromethylene anion ccl2-  
469 CCl2+ dichloromethylene cation ccl2+  
470 SiCl2 Dichlorosilylene sicl2  
471 GeF2 Germanium difluoride gef2  
472 FOO Dioxygen monofluoride radical foo  
473 ClOO chloroperoxy radical cloo  
474 ClOO+ chloroperoxy cation cloo+  
475 OClO+ Chlorine dioxide cation oclo+  
476 ClS2 Sulfur chloride cls2  
477 NF2 Difluoroamino radical nf2  
478 NF2+ Difluoroamino cation nf2+  
479 F2O Difluorine monoxide f2o  
480 SF2+ sulfur difluoride cation sf2+  
481 Cl2O Dichlorine monoxide cl2o  
482 SCl2 Sulfur dichloride scl2  
483 BrOCl Bromine hypochlorite brocl  
484 BrOBr Bromine oxide brobr  
485 F3- trifluoride anion f3-  
486 Cl3- trichloride anion cl3-  
487 I3- triiodide i3-  
488 HCCF+ fluoroacetylene cation hccf+  
489 HFCO formyl fluoride hfco  
490 COHCl Formyl chloride cohcl  
491 COHBr Formyl bromide cohbr  
492 BHF2 Difluoroborane bhf2  
493 BHCl2 Borane, dichloro- bhcl2  
494 HOClO Chlorous acid hoclo  
495 CH2FCl fluorochloromethane ch2fcl  
496 CH2ClI chloroiodomethane ch2cli  
497 CH2BrI bromoiodomethane ch2bri  
498 CH2CHF+ fluoroethene cation ch2chf+  
499 C2H3Cl Ethene, chloro- ch2chcl  
500 C2H3Br vinyl bromide c2h3br  
501 C2H3I Vinyl iodide c2h3i  
502 CH3OCl methyl hypochlorite ch3ocl  
503 C2H5F fluoroethane c2h5f  
504 CH3CH2Cl Ethyl chloride c2h5cl  
505 CH3SiFH2 fluoromethylsilane ch3sifh2  
506 C2H5I Ethyl iodide c2h5i  
507 KrF2 Krypton difluoride krf2  
508 XeF2 Xenon difluoride xef2  
509 C4+ Carbon tetramer cation c4+  
510 C2H3CCH 1-Buten-3-yne c2h3cch  
511 C4H4 cyclobutadiene cbd  
512 H2CCCCH2 Butatriene h2cccch2  
513 C4H6 Cyclobutene c822355  
514 C4H6 Methylenecyclopropane c6142730  
515 CH2CCHCH3 1,2-Butadiene butad12  
516 CH2CHCHCH2 1,3-Butadiene c106990  
517 CH3CCCH3 2-Butyne c503173  
518 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
519 CH3CHCHCH3 2-Butene, (E)- bute2e  
520 CH3CHCHCH3 2-Butene, (Z)- bute2z  
521 B(CH3)3 trimethylborane bme3  
522 Al(CH3)3 trimethyl aluminum tma  
523 C(CH3)3 Tert-butyl radical tbutyl  
524 CH2CH(CH3)2 Isobutyl radical isobutyl  
525 CH3CHCH2CH3 2-Butyl radical butyl2  
526 CH3CH(CH3)CH3 Isobutane isobutane  
527 SiH(CH3)3 trimethylsilane trimsi  
528 C2N2+ Cyanogen cation c2n2+  
529 P4 Phosphorus tetramer p4  
530 HCCCN Cyanoacetylene hcccn  
531 C3H3N acrylonitrile ch2chcn  
532 CH5N3 Guanidine guanidine  
533 CH6N3+ guanidinium ch6n3+  
534 C3H7N Cyclopropylamine cpram  
535 C3H7N Azetidine azet  
536 C2H8N2 Ethylenediamine ethdiam  
537 CH3NHNHCH3 dimethyl hydrazine dmh  
538 CH3CH(NH2)CH3 2-Propanamine pram2  
539 N(CH3)3 Trimethylamine trimeam  
540 As(CH3)3 trimethyl arsine tmas  
541 Li2O2 dilithium dioxide li2o2  
542 B2O2 Diboron dioxide b2o2  
543 CO3-- carbonate co3--  
544 NO3 Nitrogen trioxide no3  
545 NO3+ nitrogen trioxide cation no3+  
546 SO3- Sulfur trioxide anion so3-  
547 SO3+ Sulfur trioxide cation so3+  
548 SeO3 selenium trioxide seo3  
549 TeO3 Tellurium trioxide teo3  
550 HCO3- bicarbonate anion hco3-  
551 C2H2CO cyclopropenone c2h2co  
552 HCCCHO 2-propynal hcccho  
553 C2H2O2+ Ethanedial cation c2h2o2+  
554 H2CO3 Carbonic acid h2co3  
555 H2CS3 thiocarbonic acid h2cs3  
556 H2NO3+ Nitric Acid, Protonated h2no3+  
557 CH3COO- acetate anion ch3coo-  
558 CH3ONO Methyl nitrite ch3ono  
559 H3BO3 Boric acid h3bo3  
560 H3CO3+ carbonic acid, protonated h3co3+  
561 C3H4O 2-Propyn-1-ol c107197  
562 C3H4O allenol c9000071  
563 C3H4O Methylketene c6004440  
564 NH2CONH2+ Urea cation urea+  
565 NH2CSNH2 Thiourea thiourea  
566 C2H4O2 1,3-dioxetane c2h4o2  
567 CH3COOH Acetic acid ch3cooh  
568 CH3OCHO methyl formate ch3ocho  
569 CHOCH2OH hydroxy acetaldehyde haa  
570 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
571 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
572 HCOOHH2O Formic acid water dimer hcoohh2o  
573 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
574 CH3CONH2 Acetamide acetamide  
575 C3H6O Propylene oxide prox  
576 C3H6S Thietane thietane  
577 C3H6S Thiirane, methyl- methiirane  
578 CH3CSCH3 Thioacetone ch3csch3  
579 C2H6O2 1,2-Ethanediol ethdiol  
580 CH3OOCH3 dimethylperoxide dmp  
581 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
582 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
583 CH3COHCH3+ acetone, protonated acetoneh+  
584 CH3CHOHCH3 Isopropyl alcohol isoproh  
585 C3H7SH 1-Propanethiol prsh  
586 CH3CHSHCH3 2-Propanethiol isoprsh  
587 CH3SCH2CH3 Ethane, (methylthio)- etsme  
588 H2OCH3OCH3 water dimethylether dimer h2och3och3  
589 Na2F2 Sodium Fluoride Dimer na2f2  
590 Na2Cl2 Disodium dichloride na2cl2  
591 C2F2 difluoroacetylene c2f2  
592 C2Cl2 dichloroacetylene c2cl2  
593 C2Cl2+ dichloroacetylene cation c2cl2+  
594 ClNO2 Nitryl chloride clno2  
595 BrONO Bromine nitrite brono  
596 N2F2 (Z)-Difluorodiazene n2f2_z  
597 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
598 COFCl Carbonic chloride fluoride cofcl  
599 CCl2O Phosgene cl2co  
600 Cl2CS Thiophosgene cl2cs  
601 COBr2 Carbonic dibromide cobr2  
602 BF3 Borane, trifluoro- bf3  
603 BF3- Borane, trifluoro- anion bf3-  
604 AlF3 Aluminum trifluoride alf3  
605 AlF2Cl Aluminum chloride difluoride alclf2  
606 AlFCl2 Aluminum dichloride fluoride alcl2f  
607 AlCl3 Aluminum trichloride alcl3  
608 BBr3 Boron tribromide bbr3  
609 AlBr3 Aluminum Bromide albr3  
610 ClO3 Chlorine trioxide clo3  
611 ClO3- chlorate anion clo3-  
612 BrO3- Bromate anion bro3-  
613 CCl3 Trichloromethyl radical ccl3  
614 CCl3- Trichloromethyl anion ccl3-  
615 CCl3+ Trichloromethyl cation ccl3+  
616 SiCl3 trichlorosilyl radical sicl3  
617 SiCl3+ trichlorosilyl cation sicl3+  
618 FOOF Perfluoroperoxide foof  
619 F2SO Thionyl Fluoride f2so  
620 FSSF Difluorodisulfane fssf  
621 SOCl2 thionyl chloride socl2  
622 SeOCl2 selenium oxychloride seocl2  
623 NF3- Nitrogen trifluoride anion nf3-  
624 NF3+ Nitrogen trifluoride cation nf3+  
625 PF3 Phosphorus trifluoride pf3  
626 AsF3 Arsenic trifluoride asf3  
627 PCl3 Phosphorus trichloride pcl3  
628 SbF3 Antimony Trifluoride sbf3  
629 SbCl3 Antimony Trichloride sbcl3  
630 PBr3 Phosphorus tribromide pbr3  
631 AsBr3 Arsenic tribromide asbr3  
632 NI3 Nitrogen triiodide ni3  
633 PI3 Phosphorus triiodide pi3  
634 ClSSCl Disulfur dichloride s2cl2  
635 BrF3 Bromine trifluoride brf3  
636 IF3 iodone trifluoride if3  
637 CHF2Cl difluorochloromethane chf2cl  
638 CHFCl2 fluorodichloromethane chfcl2  
639 CDCl3 trichloromethane-d cdcl3  
640 SiHCl3 Trichlorosilane sihcl3  
641 CHCl2I dichloroiodomethane chcl2i  
642 CHClBr2 Methane, dibromochloro- chclbr2  
643 CHBr3 bromoform chbr3  
644 CHI3 Iodoform chi3  
645 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
646 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
647 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
648 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
649 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
650 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
651 C2H2Br2 1,1-dibromoethene c2h2br2  
652 CH2FCHO Fluoroacetaldehyde ch2fcho  
653 CH3COF Acetyl fluoride ch3cof  
654 CH3COCl Acetyl Chloride ch3cocl  
655 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
656 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
657 CH2CFCH3 2-fluoropropene 2fpro  
658 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
659 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
660 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
661 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
662 CH3CH2CH2Br n-propyl bromide prbr  
663 CH3CHBrCH3 i-propyl bromide iprbr  
664 C3H9O+ trimethyl oxonium cation c3h9o+  
665 C5H5 cyclopentadienyl radical c5h5  
666 C5H5- cylopentadienyl anion c5h5-  
667 C5H6 1,3-Cyclopentadiene c542927  
668 C5H6 1-Buten-3-yne, 2-methyl- c78808  
669 C5H6 3-Penten-1-yne, (E)- c2004695  
670 C5H6 3-Penten-1-yne, (Z)- c1574409  
671 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
672 C5H6 Cyclopropylacetylene c6746947  
673 C5H7 1,3-pentadienyl radical pdyl  
674 C5H7 cyclopentenyl radical cpyl  
675 C5H8 1,2-Butadiene, 3-methyl- c598254  
676 C5H8 1,2-Pentadiene c591957  
677 C5H8 1,3-Butadiene, 2-methyl- c78795  
678 C5H8 1,3-Pentadiene, (E)- c2004708  
679 C5H8 1,3-Pentadiene, (Z)- c1574410  
680 C5H8 1,4-Pentadiene c591935  
681 C5H8 1-pentyne a1pentyne  
682 C5H8 2,3-Pentadiene c591968  
683 C5H8 Cyclobutane, methylene- c1120565  
684 C5H8 Cyclopentene c142290  
685 CH3CCCH2CH3 2-Pentyne 2pentyne  
686 C5H10 1-Butene, 2-methyl- c563462  
687 C5H10 2-Butene, 2-methyl- c513359  
688 C5H10 2-Pentene, (E)- c646048  
689 C5H10 2-Pentene, (Z)- c627203  
690 C5H10 Cyclopentane c287923  
691 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
692 CH2CHCH2CH2CH3 1-pentene pentene  
693 C5H11 2-Methylbut-2-yl radical c4348350  
694 C5H12 Butane, 2-methyl- buta2  
695 C5H12 Pentane pentane  
696 C5H12 Propane, 2,2-dimethyl- neopentane  
697 Si(CH3)4 tetramethylsilane tms  
698 N2O3 Dinitrogen trioxide n2o3  
699 C3H2N2 Malononitrile c3h2n2  
700 C2H3N3 1H-1,2,4-Triazole c288880  
701 C3H4N2 1H-Pyrazole 1hpyraz  
702 C4H5N (E)-2-Butenenitrile c627269  
703 C4H5N (Z)-2-Butenenitrile c1190767  
704 C4H5N 2H-pyrrole pyrrole2  
705 C4H5N 3H-pyrrole pyrrole3  
706 C4H5N Cyclopropanecarbonitrile c5500210  
707 CH2CHCH2CN Allylcyanide ch2chch2cn  
708 C3H6N2 3-Aminopropionitrile c151188  
709 C5H8 Bicyclo[2.1.0]pentane c185944  
710 C5H8 Spiropentane c157404  
711 C4H9N Cyclobutylamine cbam  
712 C4H9N Pyrrolidine pyrrolidine  
713 C3H10N2 1,2-Diaminopropane diampr12  
714 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
715 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
716 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
717 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
718 NC4H12+ tetramethyl ammonium cation nc4h12+  
719 C3O2+ Carbon suboxide cation c3o2+  
720 CaCO3 Calcium Carbonate caco3  
721 ONONO Nitrosyl nitrite onono  
722 PO4--- phosphate po4---  
723 SO4-- sulfate so4--  
724 HOONO2 peroxy nitric acid hoono2  
725 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
726 C3H2O2 Propiolic acid c3h2o2  
727 CHOCOOH oxo acetic acid oaa  
728 H2SO4 Sulfuric acid h2so4  
729 H2SeO4 Selenic acid h2seo4  
730 CH3C(O)OO acetyl peroxy radical ch3coo2  
731 CH3NO3 Methyl nitrate ch3no3  
732 H3PO4 Phosphoric Acid h3po4  
733 C4H4O+ Furan cation furan+  
734 C4H4S Thiophene furans  
735 C3H4O2 β–Propiolactone beta  
736 C3H4O2 2-Propenoic acid propenoic2  
737 C3H4O2 Methyl glyoxal megly  
738 C3H4O2 propanedial propanedial  
739 C3H4O2 propenalol propenalol  
740 HOCHCCHOH allenediol aldiol  
741 C2H4O3 1,2,3-trioxolane c2h4o3  
742 C2H4O3 trioxolane124 triox  
743 HOCH2COOH Hydroxyacetic acid hac  
744 CH2CHCONH2 Acrylamide c79061  
745 CH5N3S Hydrazinecarbothioamide c79196  
746 H2NCH2COOH Glycine glycine  
747 C4H6O cis-2-butenal butenal2c  
748 C4H6O Cyclobutanone cbutone  
749 C4H6O Furan, 2,3-dihydro- furan23h  
750 C4H6O Furan, 2,5-dihydro- furan25h  
751 CH2CHOCHCH2 Vinyl ether vinylether  
752 CHOCHCHCH3 2-Butenal butenal2  
753 C4H6S Thiophene, 2,3-dihydro- thiop23h  
754 C4H6S Thiophene, 2,5-dihydro- thiop25h  
755 C2H6N2O Urea, methyl- c598505  
756 C3H6O2 1,3-Dioxolane dioxolane  
757 CH3COOCH3 methyl acetate aame  
758 CH3SSSCH3 dimethyl trisulfide c2h6s3  
759 C3H7NO dimethylformamide dmf  
760 C3H7NO Propanamide propanam  
761 C2H3OC2H5 Ethene, ethoxy- c109922  
762 C4H8O Cyclobutanol c2919235  
763 C4H8O Furan, tetrahydro- thf  
764 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
765 CH3COCH2CH3 2-Butanone buta2one  
766 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
767 CHOCH2CH2CH3 Butanal butanal  
768 C3H8O2 1,3-Propanediol c504632  
769 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
770 C3H8O2 Methane, dimethoxy- c109875  
771 C3H8O2 Propylene glycol c57556  
772 C3H8S2 1,3-Propanedithiol c109808  
773 C4H10O 1-Propanol, 2-methyl- c78831  
774 C4H10O 2-Butanol, (.+/-.)- butanol2  
775 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
776 C4H10O Propane, 2-methoxy- c598538  
777 C4H10O+ 1-Butanol cation butanol1+  
778 C2H5SC2H5 Diethyl sulfide etset  
779 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
780 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
781 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
782 FNO3 Fluorine nitrate fno3  
783 ClONO2 Chlorine nitrate clono2  
784 TiCl4 Titanium tetrachloride ticl4  
785 ClO4- perchlorate anion clo4-  
786 BF4- tetrafluoroboron anion bf4-  
787 ClFO3 Perchloryl fluoride clfo3  
788 SO2F2 Sulfuryl fluoride so2f2  
789 SO2Cl2 Sulfuryl chloride so2cl2  
790 F3NO Nitrogen trifluoride oxide f3no  
791 F3PO Phosphoryl fluoride pf3o  
792 Cl3PO Phosphoryl chloride pcl3o  
793 CF4 Carbon tetrafluoride cf4  
794 SiF4 Silicon tetrafluoride sif4  
795 CFCl3 Trichloromonofluoromethane cfcl3  
796 CCl4+ Carbon tetrachloride cation ccl4+  
797 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
798 SiCl4 Silane, tetrachloro- sicl4  
799 CF3I trifluoroiodomethane cf3i  
800 CBrCl3 Methane, bromotrichloro- cbrcl3  
801 GeCl4 Germanium Tetrachloride gecl4  
802 CCl3I trichloroiodomethane ccl3i  
803 CFClBrI fluorochlorobromoiodomethane cfclbri  
804 CF2I2 difluorodiiodomethane cf2i2  
805 CCl2I2 dichlorodiiodomethane ccl2i2  
806 CBr3I tribromoiododmethane cbr3i  
807 CI4 tetraiodomethane ci4  
808 SiI4 silicon tetraiodide sii4  
809 C2HF3 Trifluoroethylene c2hf3  
810 C2HF3+ Trifluoroethylene cation c2hf3+  
811 CHClCCl2 Trichloroethylene chclccl2  
812 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
813 HClO4 perchloric acid hclo4  
814 HSO3F Fluorosulfonic acid hso3f  
815 CF3OH trifluoromethanol cf3oh  
816 CHClCCHCl 1,3-dichloroallene chclcchcl  
817 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
818 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
819 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
820 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
821 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
822 SiCl3CH3 methyltrichlorosilane sicl3ch3  
823 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
824 NH3BCl3 Amminetrichloroboron nh3bcl3  
825 C3H5ClO Oxirane, (chloromethyl)- c106898  
826 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
827 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
828 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
829 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
830 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
831 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
832 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
833 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
834 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
835 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
836 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
837 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
838 C4H9F 1-fluorobutane butaf1  
839 CH3CHFCH2CH3 2-fluorobutane butaf2  
840 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
841 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
842 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
843 XeF4 Xenon tetrafluoride xef4  
844 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
845 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
846 C6H4 Benzyne benzyne  
847 C6H5 phenyl phenyl  
848 C6H5- phenyl anion phenyl-  
849 C6H6 2,4-Hexadiyne hexadiyne  
850 C6H6 3,4-Dimethylenecyclobutene cb34m  
851 C6H6+ Benzene cation c6h6+  
852 C6H8 (E)-hexa-1,3,5-triene c821078  
853 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
854 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
855 C6H8 1,3-Cyclohexadiene cyhexadiene13  
856 C6H8 1,4-Cyclohexadiene cyhexadiene14  
857 C6H8 3-Methylenecyclopentene c930267  
858 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
859 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
860 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
861 C6H10 1,3-Hexadiene, (E)- hexdi13e  
862 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
863 C6H10 1,4-Hexadiene, (E)- hexdi14t  
864 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
865 C6H10 1-Butyne, 3,3-dimethyl- c917920  
866 C6H10 1-Hexyne hexyne1  
867 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
868 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
869 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
870 C6H10 2-Hexyne c764352  
871 C6H10 cyclohexene cyclohexene  
872 C6H10 Cyclopentene, 1-methyl- c693890  
873 C6H10 Cyclopentene, 3-methyl- c1120623  
874 C6H10 Cyclopentene, 4-methyl- c1759815  
875 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
876 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
877 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
878 C6H12 (E)-2-Hexene e2hexene  
879 C6H12 (E)-3-methylpent-2-ene c616126  
880 C6H12 (Z)-3-methylpent-2-ene c922623  
881 C6H12 (Z)-hex-2-ene z2hexene  
882 C6H12 2,3-dimethyl-but-2-ene tmeet  
883 C6H12 3-methylenepentane c760214  
884 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
885 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
886 C6H12 Cyclohexane cyclohexane  
887 C6H12 Cyclopentane, methyl- c96377  
888 C6H12 Ethylcyclobutane c4806615  
889 C6H14 Butane, 2,2-dimethyl- buta22  
890 C6H14 Butane, 2,3-dimethyl- buta23  
891 C6H14 Hexane hexane  
892 C6H14 Pentane, 2-methyl- penta2  
893 C6H14 Pentane, 3-methyl- penta3  
894 C4N2 2-Butynedinitrile c4n2  
895 C2H2N4 sym-tetrazine ttz  
896 C3H3N3 1,3,5-Triazine triazine135  
897 CH3N5 5-Aminotetrazole c4418615  
898 C4H4N2 1,3-Diazine diazine13  
899 C4H4N2 Pyrazine pyrazine  
900 C4H4N2 Pyridazine pyridazine  
901 C4H4N2 Succinonitrile c110612  
902 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
903 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
904 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
905 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
906 C5H5N E-2,4-pentadienenitrile bdcn  
907 C5H5N Pyridine pyridine  
908 B3N3H6 borazine borazine  
909 C6H6 Fulvene fulvene  
910 C4H6N2 1H-Imidazole, 2-methyl- c693981  
911 C5H7N (E)-2-Pentenenitrile c26294984  
912 C5H7N (E)-3-Pentenenitrile c16529661  
913 C5H7N (Z)-2-Pentenenitrile c25899507  
914 C5H7N 1H-Pyrrole, 1-methyl- c96548  
915 C5H7N Cyclobutanecarbonitrile c4426113  
916 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
917 C5H9N Butanenitrile, 2-methyl- c18936179  
918 C5H9N Pentanenitrile c110598  
919 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
920 C6H10 Bicyclo[3.1.0]hexane c285585  
921 C5H11N Cyclopentanamine cypentam  
922 C5H11N Piperidine piper  
923 C4H12N2 1,2-Butanediamine c4426486  
924 C4H12N2 2-Methyl-1,2-propanediamine c811938  
925 Li2CO3 Lithium Carbonate li2co3  
926 Na2CO3 Sodium Carbonate na2co3  
927 C2O4-- oxalate anion c2o4  
928 N2O4 Dinitrogen tetroxide n2o4  
929 C2H3NO3 Oxamic acid oxamic  
930 C4H4O2 2(5H)-Furanone furanone  
931 C4H4O2 2-Oxetanone, 4-methylene- c674828  
932 C2H4N2O2 Oxalamide oxalamide  
933 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
934 C3H4S3 1,3-Dithiolane-2-thione c822388  
935 C4H5NO 3-Methylisoxazole isox3m  
936 C4H5NO Isoxazole, 5-methyl- c5765446  
937 C4H5NS 4-Methylthiazole c693958  
938 C5H6O 2-methylfuran furan2m  
939 C5H6O 3-Methylfuran furan3m  
940 C5H6S Thiophene, 2-methyl- c554143  
941 C5H6S Thiophene, 3-methyl- c616444  
942 C4H6O2 2,3-Butanedione c431038  
943 C4H6O2 2-Propenoic acid, methyl ester c96333  
944 C4H6O2 Crotonic Acid crot  
945 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
946 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
947 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
948 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
949 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
950 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
951 C4H6OS Vinyl sulfoxide c1115157  
952 CH6N4S Carbonothioic dihydrazide thiacarb  
953 C2H6N2O2 (E)-Azodioxymethane c37765154  
954 C2H6N2O2 Dimethylnitroamine c4164287  
955 C2H6O3S Sulfurous acid, dimethyl ester c616422  
956 C4H7NO 2-Pyrrolidinone c616455  
957 C4H7NO Ethoxyacetonitrile etoaccn  
958 C4H7NO Methacrylamide c79390  
959 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
960 HCONH2CN2H4 formamide aminomethanimine dimer d13  
961 C3H7ONO Propyl nitrite prono  
962 CH3CH(CH3)ONO Isopropyl nitrite c541424  
963 CH3CH(NH2)COOH Alanine alanine  
964 CH3NHCH2COOH Sarcosine sarcosine  
965 NH2CH2CH2COOH β–alanine betaalanine  
966 NH2COOC2H5 Urethane urethane  
967 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
968 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
969 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
970 NH2CONHC2H5 Urea, ethyl- c625525  
971 C4H8O2 1,3-Dioxane dioxan13  
972 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
973 C4H8O2 1,4-Dioxane dioxan14  
974 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
975 C4H8OS s-Ethyl thioacetate c625605  
976 C3H8O3 1,2,3-Propanetriol glycerin  
977 C3H8O2S (Methylsulfonyl)ethane c594434  
978 C4H9NO Butanamide c541355  
979 C4H9NO Propanamide, 2-methyl- c563837  
980 C5H10O 2-Butanone, 3-methyl- c563804  
981 C5H10O 2H-Pyran, tetrahydro- c142687  
982 C5H10O 2-Pentanone mpk  
983 C5H10O Cyclopentanol c96413  
984 C5H10O Oxetane, 3,3-dimethyl- c6921353  
985 C5H10O Pentanal pal  
986 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
987 C5H10S 3-Ethylthio-1-propene c5296628  
988 C5H10S Cyclopentanethiol c1679078  
989 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
990 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
991 C4H10O2 1,1-Dimethoxyethane c534156  
992 C4H10O2 1,3-Butanediol budiol13  
993 C4H10O2 1,4-Butanediol budiol14  
994 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
995 C4H10OS Diethyl sulfoxide c70291  
996 C4H10S2 1,4-Butanedithiol budisl14  
997 C4H11NO Diethylhydroxylamine c3710847  
998 C5H12O 1-Butanol, 2-methyl- c137326  
999 C5H12O 1-Butanol, 3-methyl- c123513  
1000 C5H12O 1-Pentanol pentanol1  
1001 C5H12O 2-Butanol, 3-methyl- c598754  
1002 C5H12O 2-Pentanol peol2  
1003 C5H12O 3-Pentanol pentan3ol  
1004 C5H12O Butane, 1-methoxy- meobu  
1005 C5H12O Propane, 1-ethoxy- proet  
1006 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1007 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1008 C5H12S 1-Butanethiol, 3-methyl- c541311  
1009 C5H12S 1-Pentanethiol c110667  
1010 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1011 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1012 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1013 C5H12S Butane, 1-(methylthio)- c628295  
1014 C5H12S Ethyl propyl sulfide c4110503  
1015 C5H12S Propane, 2-(ethylthio)- c5145993  
1016 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1017 CF3CN Acetonitrile, trifluoro- cf3cn  
1018 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1019 B2F4 Diboron tetrafluoride b2f4  
1020 C2F4 Tetrafluoroethylene c2f4  
1021 C2F4+ Tetrafluoroethylene cation c2f4+  
1022 C2FCl3 fluorotrichloroethene c2fcl3  
1023 C2Cl4 Tetrachloroethylene c2cl4  
1024 AsF5 Arsenic pentafluoride asf5  
1025 PCl5 Phosphorus pentachloride pcl5  
1026 SbCl5 Antimony pentachloride sbcl5  
1027 BrF5 bromine pentafluoride brf5  
1028 ClF5 chlorinepentafluoride clf5  
1029 IF5 pentafluoroiodine if5  
1030 CF3CHO trifluoroacetaldehyde cf3cho  
1031 CCl3CHO trichloroacetaldehyde ccl3cho  
1032 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1033 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1034 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1035 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1036 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1037 C4H8Cl2 1,4-Dichlorobutane c110565  
1038 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1039 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1040 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1041 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1042 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1043 C5H11Cl Pentane, 1-chloro- pencl1  
1044 C6H5CH2 benzyl radical benzyl  
1045 C6H5CH3 toluene toluene  
1046 C7H8 cycloheptatriene cht  
1047 C7H8 Norbornadiene norbor  
1048 C7H8 Quadricyclane qucy  
1049 C7H12 Norbornane nor  
1050 C7H14 cycloheptane c7h14  
1051 C7H16 2-methylhexane 2mhex  
1052 C7H16 3-methylhexane hex3m  
1053 C7H16 heptane heptane  
1054 C6H7N 2-Methylpyridine mp  
1055 C6H5NH2 aniline aniline  
1056 C6H13N 2-Methylpiperidine pip2m  
1057 C6H13N cyclohexanamine cham  
1058 C6H15N triethylamine tea  
1059 N2O5 Dinitrogen pentoxide n2o5  
1060 C4H2O3 Maleic Anhydride malan  
1061 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1062 C6H5O phenoxy radical phenoxy  
1063 C5H5NO 2(1H)-Pyridinone c72762006  
1064 C5H5NO 2(3H)-Pyridinone c9000048  
1065 C5H5NO 2(5H)-Pyridinone c9000037  
1066 C5H5NO 2-Pyridinol c109104  
1067 C5H5NO 3(2H)-Pyridinone c9000004  
1068 C5H5NO 3(4H)-Pyridinone c9000026  
1069 C5H5NO 3(6H)-Pyridinone c9000015  
1070 C5H5NO 3-Pyridinol c109002  
1071 C5H5NO 4(1H)-Pryidinone c9000060  
1072 C5H5NO 4(3H)-Pryidinone c9000059  
1073 C5H5NO 4-Pyridinol c626642  
1074 C6H5OH phenol phenol  
1075 C6H6O 2,4-Cyclohexadienone c24599573  
1076 C6H5SH Benzenethiol phsh  
1077 C4H8O2S Sulfolane sulfolane  
1078 CH(C2H3)3 trivinyl methane tvm  
1079 C6H10O cyclohexanone chexo  
1080 C6H12O hexanal c6h12o  
1081 C3H7OC3H7 di-n-propyl ether propr  
1082 CF3COCl trifluoroacetyl chloride cf3cocl  
1083 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1084 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1085 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1086 CCl3CHCl2 pentachloroethane ccl3chcl2  
1087 C6H5F Fluorobenzene bzf  
1088 C6H5Cl chlorobenzene bzcl  
1089 C6H5Br bromobenzene bzbr  
1090 C6H5CCH phenylacetylene phac  
1091 C8H6 benzocyclobutadiene bcbd  
1092 C8H6 Pentalene pentalene  
1093 C6H5CHCH2 Styrene styrene  
1094 C8H8 cyclooctatetraene cot  
1095 C6H5CH2CH3 Ethylbenzene etbz  
1096 CH3C6H4CH3 meta-xylene mxylene  
1097 CH3C6H4CH3 paraxylene pxylene  
1098 C8H18 Octane c8h18  
1099 C6H5CN phenyl cyanide phcn  
1100 C4O4-- squarate dianion c4o4--  
1101 S8 Octasulfur s8  
1102 C6H4O2 parabenzoquinone pbq  
1103 C4H4N2O2 Uracil uracil  
1104 C6H5OCH3 Anisole anisole  
1105 C6H12O2 Methyl pivalate c598981  
1106 C6H12O2 Hexanoic acid hexa  
1107 C4F4 tetrafluorcyclobutadiene c4f4  
1108 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1109 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1110 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1111 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1112 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1113 C2F6 hexafluoroethane c2f6  
1114 IF7 Iodine heptafluoride if7  
1115 C6H4F2 metadifluorobenzene mdfb  
1116 C6H4F2 orthodifluorobenzene odfb  
1117 C9H8 Indene indene  
1118 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1119 C9H12 n-propyl benzene prbz  
1120 C5H4N4 purine purine  
1121 C8H7N Indole indole  
1122 C6H5NO2 Nitrobenzene c6h5no2  
1123 C6H5COOH benzoic acid benzo  
1124 CH3COC6H5 acetophenone acph  
1125 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1126 C10H16 adamantane adamantane  
1127 C6N4 Tetracyanoethylene tcne  
1128 C4F6 perfluorobutadiene c4f6  
1129 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1130 C3F8 perfluoropropane c3f8  
1131 Fe(CO)5 Iron pentacarbonyl ipc  
1132 Fe(C5H5)2 ferrocene fecp2  
1133 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1134 C12H8 Acenaphthylene acenaph  
1135 C12H10 biphenyl biphenyl  
1136 C12H10 Heptalene heptalene  
1137 C6F6 hexafluorobenzene c6f6  
1138 C14H10 Anthracene anth  
1139 C14H10 Phenanthrene phenanthrene  
1140 C16H10 Pyrene pyrene  
1141 C18H12 Tetracene tetracene