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List of which calculations are completed at PBEPBEultrafine /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 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na+ Sodium atom cation 1SKh
16 K Potassium atom 2SKh
17 LiH Lithium Hydride 1ΣC∞v
18 LiH+ lithium hydride cation 2ΣC∞v
19 KH Potassium hydride 1ΣC∞v
20 Be Beryllium atom 1SKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg+ Magnesium atom cation 2SKh
24 BeH beryllium monohydride 2ΣC∞v
25 MgH magnesium monohydride 2ΣC∞v
26 TiH Titanium monohydride 4ΦC∞v
27 ZnH+ Zinc, protonated   
28 BeH2+ Beryllium dihydride cation   
29 MgH2 magnesium dihydride 1ΣgD∞h
30 B Boron atom 2PKh
31 B Boron atom 4PKh
32 B+ Boron atom cation 1SKh
33 Al Aluminum atom 2PKh
34 Al- Aluminum atom anion 3PKh
35 Al+ Aluminum atom cation 1SKh
36 Sc Scandium atom 2DKh
37 Sc+ Scandium cation 3DKh
38 Ga Gallium atom 2P 
39 Ga- Gallium atom anion 3POh
40 Ga+ Gallium atom cation 1S 
41 BH Boron monohydride 1ΣC∞v
42 BH Boron monohydride 3ΠC∞v
43 ScH Scandium monohydride 1ΣC∞v
44 ScH+ Scandium monohydride cation 2ΣC∞v
45 GaH Gallium monohydride 1ΣC∞v
46 GaH+ Gallium monohydride cation 2ΣC∞v
47 BH3+ boron trihydride cation 2B2C2v
48 BH3+ boron trihydride cation  C2v
49 AlH3 aluminum trihydride 1A1'D3h
50 AlH3- aluminum trihydride anion  C3v
51 ScH3 Scandium trihydride 1A1'D3h
52 ScH3 Scandium trihydride 1A1C3v
53 BH4 borohydride 2B2C2v
54 BH4- borohydride anion 1A1Td
55 C Carbon atom 3P0Kh
56 C Carbon atom 3P1Kh
57 C- Carbon atom anion 2DKh
58 C+ Carbon atom cation 2PKh
59 Si Silicon atom 3PKh
60 Si Silicon atom 1SKh
61 Si- Silicon atom anion 4SKh
62 Si+ Silicon atom cation 2PKh
63 Ge Germanium atom 3PKh
64 Ge- Germanium anion 4SKh
65 Ge+ Germanium cation 2PKh
66 CH Methylidyne 2Π1/2C∞v
67 SiH Silylidyne 2ΠC∞v
68 SiH+ silicon monohydride cation 1ΣC∞v
69 GeH germylidene 2ΠC∞v
70 GeH+ Germaniun monohyrdide cation 1ΣC∞v
71 CH2 Methylene 3B1C2v
72 CH2 Methylene 3ΣGD∞h
73 CH2 Methylene 1A1C2v
74 CH2- methylene anion 2B1C2v
75 CH2+ methylene cation 2A1C2v
76 CH2+ methylene cation 2ΠD∞h
77 GeH2 germylene 1A1C2v
78 CH3 Methyl radical 2A1D3h
79 CH3- methyl anion 1A1C3v
80 CH3+ methyl cation 1A1'D3h
81 SiH3 Silyl radical 2A1C3v
82 SiH3+ Silyl cation 1A1'D3h
83 GeH3 Germyl radical 2A1C3v
84 GeH3+ germyl cation 1A1'D3h
85 CH4 Methane 1A1Td
86 CH4- Methane anion 2A1Td
87 SiH2D2 silane-d2   
88 SiH4 Silane 1A1Td
89 GeH4 Germane 1A1Td
90 SiH5+ Silane, protonated   
91 N Nitrogen atom 4SKh
92 N Nitrogen atom 2DKh
93 N+ Nitrogen atom cation 3PKh
94 P Phosphorus atom 4SKh
95 V Vanadium atom 4FKh
96 V+ Vanadium atom cation 5DKh
97 As Arsenic atomic 4SKh
98 As- Arsenic anion 3PKh
99 As+ Arsenic cation 3PKh
100 PH phosphorus monohydride 3Σ-C∞v
101 AsH Arsenic monohydride 3ΣC∞v
102 NH2 Amino radical 2B1C2v
103 NH2+ Amino cation 3B1C2v
104 NH2+ Amino cation 1A1C2v
105 NH3 Ammonia 1A1C3v
106 NH3- Ammonia anion 2A1C3v
107 NH3+ ammonia cation 2A2"D3h
108 PH3 Phosphine 1A1C3v
109 PH3+ Phosphine cation 2A1C3v
110 AsH3 Arsine 1A1C3v
111 AsH3+ Arsine cation 2A1C3v
112 AsH4+ Arsonium   
113 NH4 Ammonium radical   
114 NH4+ ammonium cation 1A1Td
115 PH4 Phosphoranyl radical   
116 PH4+ phosphonium cation   
117 O Oxygen atom 3SKh
118 O+ Oxygen atom cation 4SKh
119 S Sulfur atom 3PKh
120 S Sulfur atom   
121 S- Sulfur atom anion 2PKh
122 S+ Sulfur atom cation 4SKh
123 Se Selenium atom 3PKh
124 Se- Selenium atom anion 2PKh
125 Se+ Selenium atom cation 4SKh
126 OH Hydroxyl radical 2ΠC∞v
127 OH- hydroxide anion 1ΣC∞v
128 OH+ hydoxyl cation 3ΣC∞v
129 HS Mercapto radical 2ΠC∞v
130 HS- mercapto anion 1ΣC∞v
131 HS+ sulfur monohydride cation 3ΣC∞v
132 CrH Chromium hydride 6ΣC∞v
133 CrH+ Chromium hydride cation 5ΣC∞v
134 HSe Selenium monohydride 2ΠC∞v
135 HSe- selenium monohydride anion 1ΣC∞v
136 HSe+ selenium monohydride cation 3ΣC∞v
137 H2O Water 1A1C2v
138 H2O- water anion 2A1C2v
139 H2O- water anion 2A'Cs
140 H2O+ water cation 2B1C2v
141 HDO Water-d1 1A1C2v
142 H2S Hydrogen sulfide 1A1C2v
143 H2S+ Hydrogen sulfide cation 2B1C2v
144 H2Se Hydrogen selenide 1A1C2v
145 H2Se+ Hydrogen selenide cation 2B1C2v
146 H3O+ hydronium cation 1A1C3v
147 H3S+ Sulfonium cation 1A1C3v
148 H3Se+ Hydrogen Selenide, protonated 1A1C3v
149 F Fluorine atom 2PKh
150 F- Fluorine atom anion 1SKh
151 F+ Fluorine atom cation 3SKh
152 F+ Fluorine atom cation 1DKh
153 Cl Chlorine atom 2PKh
154 Cl- Chlorine atom anion 1SKh
155 Cl+ Chlorine atom cation 3PKh
156 Cl+ Chlorine atom cation 1DKh
157 Br Bromine atom 2PKh
158 Br- Bromine atom anion 1SKh
159 Br+ Bromine atom cation 3PKh
160 HF Hydrogen fluoride 1ΣC∞v
161 HF- hydrogen fluoride anion 2ΣC∞v
162 HF+ hydrogen fluoride cation 2ΠC∞v
163 HCl Hydrogen chloride 1ΣC∞v
164 HCl- hydrogen chloride anion 2ΣC∞v
165 HCl+ hydrogen chloride cation 2ΠC∞v
166 HBr hydrogen bromide 1ΣC∞v
167 HBr- hydrogen bromide anion 2ΣC∞v
168 HBr+ hydrogen bromide cation 2ΠC∞v
169 HI+ Hydrogen iodide cation   
170 H2Cl+ dihydrogen monochloride cation 1A1C2v
171 H2Br+ protonated hydrogen bromide 2A1C2v
172 H2I+ Iodonium   
173 Ne Neon atom 1SKh
174 Ne Neon atom   
175 Ne+ Neon atom cation 2PKh
176 Ar Argon atom 1SKh
177 Kr Krypton atom 1SKh
178 Kr+ Krypton cation 2PKh
179 HeLi+ Helium Lithium cation   
180 NeH neon hydrogen 2ΣC∞v
181 ArH+ Argon hydride cation 1ΣC∞v
182 KrH+ Protonated Krypton 1ΣC∞v
183 H2Ar H2 Ar dimer 1ΣC∞v
184 NaLi lithium sodium 1ΣC∞v
185 Na2 Sodium diatomic 1ΣgD∞h
186 Na2- sodium diatomic anion 2ΣuD∞h
187 Na2+ sodium diatomic cation 2ΣgD∞h
188 NaK+ Sodium Potassium diatomic cation 1
189 BeMg Beryllium Magnesium 1ΣC∞v
190 LiB Lithium boride 3ΠC∞v
191 LiAl Lithium Aluminum   
192 NaAl Sodium aluminum 1ΣC∞v
193 BeB Beryllium monoboride 2ΠC∞v
194 B2 Boron diatomic 3ΣgD∞h
195 B2 Boron diatomic 1ΣgD∞h
196 B2 Boron diatomic 5ΣuD∞h
197 B2+ Boron diatomic cation 2ΠD∞h
198 BAl Boron Aluminum 3ΣC∞v
199 BGa Boron Gallium 3ΣC∞v
200 AlGa Aluminum Gallium 3ΣC∞v
201 AlGa Aluminum Gallium 1ΣC∞v
202 Ga2 Gallium diatomic 3Piu 
203 HBBH Diborane(2) 3ΣGD∞h
204 B2H4 Diborane(4) D2d 1A1D2d
205 HBHHBH Diborane(4) C2V 1A1C2v
206 B2H6 Diborane 1AgD2h
207 B2H6+ Diborane cation   
208 Ga2H6 digallane 1AGD2h
209 BeC Beryllium Carbide 3Σ-C∞v
210 BeC Beryllium Carbide   
211 CaC Calcium monocarbide   
212 AlC Aluminum carbide 4ΣC∞v
213 BSi Boron silicide 4ΣC∞v
214 BSi Boron silicide 2ΣC∞v
215 C2 Carbon diatomic 1Σg+D∞h
216 C2 Carbon diatomic 3Σg- 
217 C2+ carbon diatomic cation 4ΣgD∞h
218 SiC silicon monocarbide 1ΣC∞v
219 GeC Germanium monocarbide 1ΣC∞v
220 SiGe Silicon Germanium   
221 C2H Ethynyl radical 2ΣC∞v
222 C2H- Ethynyl anion 1ΣC∞v
223 C2H2 Acetylene 1ΣgD∞h
224 C2H2+ acetylene cation 2ΠuD∞h
225 C2H2+ acetylene cation   
226 H2CC- vinylidene anion   
227 HCCH- acetylene anion   
228 HCCH- acetylene anion   
229 Si2H2 disilyne   
230 Si2H2 disilyne   
231 Si2H2 disilyne   
232 Si2H2 disilyne   
233 CH3Li methyl lithium 1A1C3v
234 CH2BH methyleneborane 1A1C2v
235 C2H3 vinyl 2A'Cs
236 C2H3- vinyl anion 1A'Cs
237 C2H3+ vinyl cation 1A1C2V bridging H
238 C2H3+ vinyl cation 1A1C2V HCCH2
239 C2H4 Ethylene 1AgD2h
240 C2H4- Ethylene anion 2AgC2h
241 C2H4+ Ethylene cation 2B3D2
242 Si2H4 Disilene   
243 Si2H4 Disilene   
244 Si2H4 Disilene   
245 CH3BH2 methylborane 1A'Cs
246 C2H5 Ethyl radical 2A'Cs
247 C2H6 Ethane 1A1gD3d
248 Si2H6 disilane 1EuD3d
249 LiN Lithium Nitride 3ΣC∞v
250 LiP Lithium monophosphide   
251 LiP Lithium monophosphide   
252 BeN+ Beryllium mononitride cation 3ΣC∞v
253 BeN+ Beryllium mononitride cation 1ΣC∞v
254 MgN Magnesium Nitride   
255 MgN Magnesium Nitride   
256 BP Boron monophosphide 3ΠC∞v
257 BP Boron monophosphide 1ΣC∞v
258 AlP Aluminum monophosphide 3ΣC∞v
259 AlP Aluminum monophosphide 3ΠC∞v
260 AlP Aluminum monophosphide 1ΣC∞v
261 GaP Gallium monophosphide 3ΣC∞v
262 GaP Gallium monophosphide 1ΣC∞v
263 GaAs Gallium arsenide 3Π 
264 GaAs Gallium arsenide 1Σ 
265 BN boron nitride 3ΠC∞v
266 BN boron nitride 1ΣC∞v
267 CN Cyano radical 2ΣC∞v
268 CN- cyanide anion 1ΣC∞v
269 SiP Silicon monophosphide 2ΠC∞v
270 N2 Nitrogen diatomic 1ΣgD∞h
271 N2 Nitrogen diatomic   
272 N2- nitrogen diatomic anion 2ΠgD∞h
273 PN Phosphorus mononitride 1ΣC∞v
274 HCN Hydrogen cyanide 1ΣC∞v
275 HCN+ hydrogen cyanide cation 2ΠC∞v
276 HNC+ hydrogen isocyanide cation   
277 HCP+ Phosphaethyne cation   
278 NNH+ Dinitrogen monohydride cation 1ΣC∞v
279 LiNH2 lithium amide   
280 HBNH Boranimine 1ΣC∞v
281 H2NN Isodiazene   
282 N2H2 (E)-diazene 1AgC2h
283 N2H2 (Z)-Diazene 1A1C2v
284 N2H2+ trans-diazene cation 2AGC2h
285 CH2NH Methanimine 1A'Cs
286 CH2NH+ Methanimine cation   
287 CHNH2 aminomethylene   
288 CHNH2+ Aminocarbene cation   
289 BH2NH2 Boranamine   
290 CH2NH2+ methyleneamine cation 1A1C2v
291 N2H4 Hydrazine 1AC2
292 N2H4+ hydrazine cation 2AGC2h
293 CH3NH2 methyl amine 1A'Cs
294 CH3NH2+ methyl amine cation 2A'Cs
295 SiH3NH2 Silane, amino   
296 N2H5+ protonated hydrazine 1A'Cs
297 BH3PH3 borane phosphine   
298 BH3NH3 borane ammonia 1A1C3v
299 CH3NH3 methyl ammonium radical 2A1C3v
300 CH3PH3+ methyl phosphine, protonated 1A1C3v
301 N2H7+ ammonia ammonium dimer   
302 LiO lithium oxide 2ΣC∞v
303 LiS Lithium monosulfide 2ΠC∞v
304 LiS+ Lithium sulfide cation 3ΣC∞v
305 NaO sodium monoxide 2ΣC∞v
306 KO Potassium monoxide 2ΣC∞v
307 KO+ Potassium monoxide cation 3ΣC∞v
308 NaS Sodium sulfide 2ΠC∞v
309 LiSe Lithium monoselenide   
310 CaO Calcium monoxide 1ΣC∞v
311 CaS Calcium sulfide 1ΣC∞v
312 BO boron monoxide 2ΣC∞v
313 ScO Scandium monoxide 2ΣC∞v
314 GaO Gallium monoxide 2ΣC∞v
315 GaS Gallium monosulfide   
316 CO Carbon monoxide 1ΣC∞v
317 CO- carbon monoxide anion 2ΠC∞v
318 CO+ carbon monoxide cation 2ΣC∞v
319 SiO Silicon monoxide 1ΣC∞v
320 SiS silicon monosulfide 1ΣC∞v
321 TiO Titanium monoxide 3ΔC∞v
322 CSe Carbon monoselenide 1ΣC∞v
323 GeO Germanium monoxide 1ΣC∞v
324 GeO+ Germanium monoxide cation 2ΣC∞v
325 GeS Germanium monosulfide 1ΣC∞v
326 SiSe Silicon Monoselenide   
327 SiSe+ Silicon Monoselenide cation   
328 GeSe Germanium monoselenide   
329 NO Nitric oxide 2ΠC∞v
330 NO- nitric oxide anion 3ΣC∞v
331 NO+ nitric oxide cation 1ΣC∞v
332 NS Mononitrogen monosulfide 2ΠC∞v
333 PO Phosphorus monoxide 2ΠC∞v
334 PS phosphorus sulfide 2ΣC∞v
335 VO Vanadium monoxide 4Σ- 
336 NSe Nitrogen monoselenide 2ΠC∞v
337 AsS Arsenic monosulfide 2ΠC∞v
338 PSe Phosphorus monoselenide 2ΠC∞v
339 AsSe Arsenic monoselenide 2ΠC∞v
340 O2 Oxygen diatomic 3ΣgD∞h
341 O2- oxygen diatomic anion 2ΠD∞h
342 O2-- dioxygen dianion   
343 SO Sulfur monoxide 3ΣC∞v
344 SO Sulfur monoxide 1ΣC∞v
345 SO+ sulfur monoxide cation 2ΠC∞v
346 S2 Sulfur diatomic 3ΣgD∞h
347 SeO Selenium monoxide 3ΣC∞v
348 Se2 Selenium diatomic 3ΣgD∞h
349 LiOH lithium hydroxide 1ΣC∞v
350 KOH Potassium hydroxide 1ΣC∞v
351 BeOH beryllium monohydroxide 2A'Cs
352 BeOH beryllium monohydroxide 2ΣC∞v
353 HBO Boron hydride oxide 1ΣC∞v
354 HBS hydrogen boron sulfide 1ΣC∞v
355 COH Hydroxymethylidyne   
356 COH+ Carbon Monoxide, protonated 1ΣC∞v
357 HCO Formyl radical 2A'Cs
358 HCO- formyl anion 1A'Cs
359 HCO+ Formyl cation 1ΣC∞v
360 HNO Nitrosyl hydride 1A'Cs
361 HNO+ Nitrosyl hydride cation 2A'Cs
362 NOH Hydroxyimidogen 3A"Cs
363 NOH+ O-protonated nitric oxide 2A'Cs
364 HO2 Hydroperoxy radical 2A"Cs
365 HO2+ Hydroperoxy cation 3A"Cs
366 HSO+ Sulfur Monoxide, S-protonated   
367 SOH Sulfur Hydroxide   
368 SOH+ Sulfur Monoxide, protonated   
369 H2CO Formaldehyde 1A1C2v
370 H2CO- formaldehyde anion 2A'Cs
371 H2CO- formaldehyde anion   
372 H2CO+ formaldehyde cation 2B2C2v
373 H2CS Thioformaldehyde 1A1C2v
374 H2CS- thioformaldehyde anion   
375 H2CS- thioformaldehyde anion   
376 H2CS+ thioformaldehyde cation 2B2C2v
377 H2CSe Selenoformaldehyde   
378 H2NO nitroxide 2B1C2v
379 H2NO nitroxide 2A'Cs
380 H2O2 Hydrogen peroxide 1AC2
381 H2O2 Hydrogen peroxide 1AgC2h
382 H2OO water oxide   
383 HOSH hydrogen thioperoxide   
384 H2S2 Disulfane 1AC2
385 H2S2+ hydrogen disulfide cation 2BgC2h
386 H2Se2 hydrogen diselenide   
387 CH2OH Hydroxymethyl radical 2AC1
388 CH2OH+ hydroxymethyl cation 1A'Cs
389 CH3O- methoxy anion 1A1C3v
390 CH3O+ Methoxy cation 3A1C3v
391 H2CSH+ Thioformaldehyde, protonated 1A'Cs
392 NH2OH hydroxylamine 1A'Cs
393 NH2OH+ Hydroxylamine cation   
394 NH2SH Thiohydroxylamine   
395 NH2SH Thiohydroxylamine   
396 NH3S sulfidoazane   
397 CH3OH Methyl alcohol 1A'Cs
398 CH3OH- Methyl alcohol anion 2A'Cs
399 CH3OH- Methyl alcohol anion 2A'CS eclipsed
400 CH3OH+ Methyl alcohol cation 2A"Cs
401 CH3SH Methanethiol 1A'Cs
402 CH3SH+ Methanethiol cation 2A"Cs
403 SiH3OH silanol   
404 NH2OH2+ protonated hydroxylamine   
405 NH3OH+ N-protonated hydroxylamine   
406 H2OH2O water dimer 1A'Cs
407 CH3SH2+ protonated methylsulfide 1A'Cs
408 H5O2+ Dihydroxonium ion 1AC2
409 LiF lithium fluoride 1ΣC∞v
410 LiCl lithium chloride 1ΣC∞v
411 NaF sodium fluoride 1ΣC∞v
412 NaF+ sodium fluoride cation 2ΣC∞v
413 NaCl Sodium Chloride 1ΣC∞v
414 LiBr Lithium Bromide 1ΣC∞v
415 LiI Lithium Iodide   
416 NaI Sodium Iodide   
417 LiF+ lithium fluoride cation 2ΠC∞v
418 MgF+ magnesium fluoride cation 1ΣC∞v
419 TiCl Titanium Monochloride 4ΣC∞v
420 ZnF Zinc monofluoride 2ΣC∞v
421 CaBr Calcium monobromide   
422 BF Boron monofluoride 1ΣC∞v
423 AlF Aluminum monofluoride 1Σ+C∞v
424 ScF Scandium monofluoride 1ΣC∞v
425 GaF Gallium monofluoride 1ΣC∞v
426 GaF+ Gallium monofluoride cation 2ΣC∞v
427 AlBr Aluminum monobromide   
428 GaCl Gallium monochloride 1ΣGC∞v
429 GaCl+ Gallium monochloride cation 2ΣC∞v
430 GaBr Gallium monobromide   
431 CF Fluoromethylidyne 2ΠC∞v
432 SiF silicon monofluoride 2ΠC∞v
433 SiF+ silicon monofluoride cation 1ΣC∞v
434 SiCl Clorosilylidyne 2ΠC∞v
435 CBr Carbon monobromide 2ΠC∞v
436 GeF Germanium monofluoride 2ΠC∞v
437 GeF+ Germanium monofluoride cation 1ΣC∞v
438 GeCl Germanium monochloride 2ΠC∞v
439 GeCl+ Germanium monochloride cation   
440 SiBr Silicon monobromide 2ΠC∞v
441 SiBr+ Silicon monobromide cation   
442 NCl nitrogen monochloride 3ΣC∞v
443 AsF Arsenic monofluoride 3ΣC∞v
444 AsCl Arsenic monochloride 3ΣC∞v
445 PBr Phosphorus monobromide   
446 FO Oxygen monofluoride 2ΠC∞v
447 ClO Monochlorine monoxide 2ΠC∞v
448 ClO+ chlorine monoxide cation 3ΣC∞v
449 SF Monosulfur monofluoride 2ΠC∞v
450 SF+ sulfur monofluoride cation 3ΣC∞v
451 SCl sulfur monochloride 2ΠC∞v
452 SCl+ sulfur monochloride cation 3ΣgC∞v
453 BrO Bromine monoxide 2ΠC∞v
454 BrO+ Bromine monoxide cation   
455 SeF Selenium monofluoride 2ΠC∞v
456 SBr Sulfur monobromide radical   
457 SBr+ Sulfur monobromide cation   
458 SeCl Selenium monochloride 2ΠC∞v
459 SeBr Selenium monobromide   
460 BrCl Bromine monochloride 1ΣC∞v
461 F2 Fluorine diatomic 1ΣgD∞h
462 F2- flourine diatomic anion 2ΣuD∞h
463 F2+ flourine diatomic cation 2ΠgD∞h
464 ClF Chlorine monofluoride 1Σ+C∞v
465 ClF+ clorine monofluoride cation 2ΠC∞v
466 Cl2 Chlorine diatomic 1ΣgD∞h
467 Cl2+ chlorine diatomic cation 2ΠgD∞h
468 BrF Bromine monofluoride 1ΣC∞v
469 IF Iodine monofluoride 1ΣC∞v
470 Br2 Bromine diatomic 1ΣgD∞h
471 Br2- bromine diatomic anion 2ΣuD∞h
472 Br2+ bromine diatomic cation 2ΠgD∞h
473 ICl Iodine monochloride 1ΣC∞v
474 IBr Iodine monobromide 1ΣC∞v
475 I2+ Iodine diatomic cation 2ΠgD∞v
476 HCF Fluoromethylene 1A'Cs
477 HCF Fluoromethylene 3A"Cs
478 HSiF fluorosilylene   
479 HSiCl Chlorosilylene   
480 HSiBr monobromosilylene   
481 HOF Hypofluorous acid 1A'Cs
482 HOCl hypochlorous acid 1A'Cs
483 HOCl+ hypochlorous acid cation   
484 F2H+ Fluorine, protonated 1A'Cs
485 ClFH+ Chlorine fluoride, F-protonated   
486 FClH+ Chlorine fluoride, Cl-protonated   
487 Cl2H+ Chlorine, protonated 1A'Cs
488 CH2Br bromomethyl radical   
489 CH2F fluoromethyl radical 2ACs
490 CH2F+ fluoromethyl cation   
491 CH2Cl+ chloromethyl cation   
492 CH2Cl chloromethyl radical 2A'Cs
493 CH2Cl chloromethyl radical 2B1C2v
494 NH2Cl chloramine 1A'Cs
495 CH3F+ methyl fluoride cation   
496 CH3F Methyl fluoride 1A1C3v
497 CH3Cl Methyl chloride 1A1C3v
498 CH3Cl+ Methyl chloride cation   
499 SiH3F monofluorosilane 1A1C3v
500 SiH3Cl chlorosilane 1A1C1
501 CH3Br methyl bromide 1A1C3v
502 GeH3F monofluorogermane   
503 GeH3Cl monochlorogermane   
504 SiH3Br bromosilane 1A1C3v
505 NH3Cl+ protonated monochloroammonia   
506 CH3ClH+ methyl chloride, protonated   
507 NH4Cl Ammonium chloride   
508 LiNe+ Lithium Neon cation   
509 Ne2+ Neon diatomic cation 2ΣuD∞h
510 Ar2 Argon diatomic 1SgD∞h
511 Ar2+ Argon diatomic cation 2ΣuD∞h
512 Li3 Lithium trimer 2B2C2v
513 Li3+ Lithium trimer cation 1A1'D3h
514 C3 carbon trimer 1ΣgD∞h
515 C3 carbon trimer 1A1C2v
516 SiC2 Silicon dicarbide   
517 C3H3 cyclopropenyl radical 2A'Cs
518 C3H4 cyclopropene 1A1C2v
519 CH2CCH2 allene 1A1D2d
520 CH3CCH propyne 1A'C3v
521 C3H5 Allyl radical 2A2C2v
522 C3H5 Allyl radical 2A"Cs
523 C3H6 Cyclopropane 1A1'D3h
524 CH2CHCH3 Propene 1A'Cs
525 C3H7 n-Propyl radical 2A"C1
526 C3H7+ cyclopropane, protonated   
527 CH3CHCH3 Isopropyl radical 2AC2
528 CH3CHCH3+ Isopropyl cation 1AC2
529 C3H8 Propane 1A1C2v
530 Si3H8 trisilane   
531 LiCN lithium cyanide 1ΣC*V LiCN
532 LiCN lithium cyanide 1A'Cs
533 LiCN lithium cyanide 1ΣC*V LiNC
534 NaCN Sodium Cyanide 1ΣC∞v
535 NaCN Sodium Cyanide 1ACs
536 NaCN Sodium Cyanide 1ΣC∞v
537 KCN Potassium cyanide 1ΣC∞v
538 KCN Potassium cyanide 1ΣC∞v
539 KCN Potassium cyanide 1A'Cs
540 ZnCN Zinc monocyanide 2ΣC∞v
541 ZnNC Zinc isocyanide 2ΣC∞v
542 AlCN Aluminum monocyanide   
543 AlNC Aluminum isocyanide   
544 CNN Diazocarbene   
545 N3 azide radical 2ΠgD∞h
546 N3+ azide cation 3ΣgD∞h
547 N3+ azide cation 3ΣC∞v
548 HCCN cyanomethylene 3A"Cs
549 HCCN cyanomethylene 3ΣC∞v
550 HCCN cyanomethylene   
551 HN3 hydrogen azide 1A'Cs
552 HN3+ Hydrazoic acid cation   
553 HNCNH diiminomethane 1AC2
554 NH2CN cyanamide 1A1C2v
555 HNNNH+ 1,2-Triazadienium   
556 NH2NN+ hydrazoic acid, protonated   
557 CH3CN Acetonitrile 1A1C3v
558 CH3CN- acetonitrile anion 2EC3v
559 CH3CN- acetonitrile anion 2A'Cs
560 CHNCH2 2H-Azirine   
561 CHNHCH 1H-Azirine   
562 H2CCNH Ethenimine   
563 H2CNCH methyleneaminomethylene   
564 HCCNH2 Ethynamine   
565 HCNCH2+ 2H-Azirine cation   
566 HNCNH2+ diiminomethane, protonated 1A'Cs
567 NCNH3+ Cyanamide, protonated 1A1C3v
568 NH2CNH+ cyanamide, cn protonated   
569 NH3CN+ cyanamide, amine protonated   
570 CH2CHNH vinylazine 2A"CS cis
571 CH2CHNH vinylazine 2A"CS trans
572 C2H5NH+ Protonated Aziridine 1A1C2v
573 C2H6N+ aziridine, protonated 1A1C2v
574 CH3CH2NH2 Ethylamine   
575 CH3PHCH3 dimethylphosphine 1A'Cs
576 (CH3)2NH2+ dimethylammonium cation 1A1C2v
577 CH3CH2NH3+ ethylamine, protonated 1A'Cs
578 Li2O dilithium oxide 1ΣgD∞h
579 Li2S dilithium sulfide 1ΣGD∞h
580 Li2S dilithium sulfide 1A1C2v
581 Na2O disodium monoxide 1ΣgLinear
582 Na2O disodium monoxide 1A1C2v
583 Na2S Sodium sulfide   
584 Na2S Sodium sulfide   
585 LiO2 Lithium dioxide   
586 NaO2 Sodium superoxide   
587 CCO Dicarbon monoxide 3ΣC∞v
588 CCO Dicarbon monoxide 1ΠC∞v
589 NCO isocyanato radical 2ΠC∞v
590 N2O Nitrous oxide 1ΣC∞v
591 N2O- Nitrous oxide anion 2A'Cs
592 CO2 Carbon dioxide 1ΣgD∞h
593 OCS Carbonyl sulfide 1ΣC∞v
594 CS2 Carbon disulfide 1ΣgD∞h
595 TiO2 Titanium dioxide 1A1C2v
596 SiS2 Silicon disulfide 1ΣGD∞h
597 GeO2 Germanium dioxide 1ΣgD∞h
598 OCSe Carbonyl selenide 1ΣC∞v
599 SCSe Carbon sulfide selenide   
600 CSe2 Carbon diselenide 1A1D∞h
601 NO2 Nitrogen dioxide 2A1C2v
602 NO2+ Nitrogen dioxide cation 1ΣGD∞h
603 NSO sulfinyl amidogen   
604 SNO Nitrogen oxide sulfide   
605 O3 Ozone 1A1Cs
606 SO2 Sulfur dioxide 1A1C2v
607 SSO Disulfur monoxide 1A'Cs
608 S3 Sulfur trimer 1A1C2v
609 S3 Sulfur trimer   
610 S3+ Sulfur trimer cation 2B2C2v
611 SeO2 Selenium dioxide 1A1C2v
612 SeO2+ Selenium dioxide cation 2A1C2v
613 HCCO ketenyl radical 2ΠC∞v
614 HCCO ketenyl radical 2A"Cs
615 HCNO fulminic acid 1ΣC∞v
616 HCNO fulminic acid 1A'Cs
617 HNCS Isothiocyanic acid   
618 HSCN thiocyanic acid 1A'Cs
619 HNNO+ Nitrous oxide, N-protonated 1A'Cs
620 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
621 HOCO Hydrocarboxyl radical 1A'cis
622 HOCO Hydrocarboxyl radical 1A'trans
623 O3H+ protonated ozone 1A'Cs
624 O3H+ protonated ozone   
625 SO2H+ protonated sulfur dioxide 1A'Cs
626 C2H2O Oxirene 1A1C2v
627 CH2CO Ketene 1A1C2v
628 CH2CS Thioketene   
629 Be(OH)2 Beryllium hydroxide   
630 Be(OH)2 Beryllium hydroxide   
631 NH2NO Nitrosamide 1AC1
632 H2COO Dioxymethyl radical 2A'Cs
633 H2COO+ dioxymethyl cation 2A'Cs
634 HCOOH Formic acid 1A'Cs
635 HCOOH Formic acid   
636 HSSSH trisulfane 1A'Cs
637 CH2BOH hydroxy(methylene)borane 1A'Cs
638 BH3CO Borane carbonyl 1A1C3v
639 CH3BO Borane, methyloxo- 1A1C3v
640 CH2COH+ ketene, protonated   
641 CH2NOH formaldoxime 1A'Cs
642 CH3NO nitrosomethane 1A'Cs
643 CNOH3 1,2-oxaziridine 1AC1
644 HOCHNH hydroxymethylimine 1A'CS H all up
645 CHSNH2 thioformamide   
646 NHCHSH Methanimidothioic acid   
647 C2H4O Ethylene oxide 1A1C2v
648 C2H4O+ ethylene oxide cation   
649 CH3CHO Acetaldehyde 1A'Cs
650 CH3CHO+ acetaldehyde cation   
651 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
652 C2H4S Thiirane 1A1C2v
653 CH2CHSH Ethenethiol   
654 CH3CHS Thioacetaldehyde 1A'C1
655 NH2CHOH+ Formamide, O-protonated   
656 CH3SSH Hydrogen methyl disulfide   
657 HSCH2SH Methanedithiol   
658 C2H4OH+ ethylene oxide, protonated 1A'Cs
659 CH3CHOH 1-hydroxy-ethyl radical 2AC1
660 CH3CHOH+ acetaldehyde, protonated 1A'Cs
661 NH2CH2OH aminomethanol   
662 CH3CH2OH Ethanol 1A'Cs
663 CH3OCH3 Dimethyl ether 1A1C2v
664 CH3CH2SH ethanethiol 1A'Cs
665 CH3CH2SH ethanethiol 1AC1
666 CH3SCH3 Dimethyl sulfide 1A1C2v
667 CH3SCH3+ dimethyl sulfide cation   
668 CH3SeCH3 dimethylselenide 1A1C2v
669 CuF2 Copper difluoride 2ΠgD∞h
670 CNF iso cyanogen fluoride 1ΣC∞v
671 BrCN Cyanogen bromide 1ΣC∞v
672 ICN Cyanogen iodide 1ΣC∞v
673 FBO Boron monofluoride monoxide   
674 BeBr2 Beryllium bromide   
675 CaBr2 Calcium dibromide   
676 FCO Carbonyl fluoride 2A'Cs
677 FCO+ Carbonyl fluoride cation 1ΣC∞v
678 ClCO carbonyl monochloride 2A'Cs
679 BF2 Boron difluoride radical 2A1C2v
680 FNO Nitrosyl fluoride 1A'Cs
681 ClNO Nitrosyl chloride 1A'Cs
682 FNS Thionitrosyl fluoride 1A'Cs
683 FSN Thiazyl fluoride 1A'Cs
684 OPCl Phosphorus oxychloride   
685 CF2 Difluoromethylene 1A1D∞h
686 CFCl chlorofluoromethylene 1A'Cs
687 SiF2 Silicon difluoride 1A1C2v
688 SiF2+ Silicon difluoride cation 2A1C2v
689 GeCl2 Germanium dichloride 1A1C2v
690 CBr2 dibromomethylene 1A1C2v
691 CBr2 dibromomethylene 3B1C2v
692 FOO+ Fluorine dioxide cation   
693 OClO Chlorine dioxide 2B1D∞h
694 OClO- Chlorine dioxide anion 1A'Cs
695 ClSO Sulfur chloride oxide 2A"Cs
696 BrOO Bromine dioxide   
697 OBrO Bromine dioxide radical 2B1C2v
698 PF2 Phosphorus difluoride   
699 PF2+ Phosphorus difluoride cation   
700 FClO chlorosyl fluoride 1A'Cs
701 ClOF Chlorine hypofluorite 1A'Cs
702 SF2 sulfur difluoride 1A1C2v
703 SeF2 Selenium difluoride   
704 SeCl2 Selenium Dichloride   
705 SBr2 Sulfur dibromide   
706 SeBr2 Selenium dibromide   
707 Br3- tribromide anion   
708 SFCl Sulfur chloride fluoride   
709 HCCF Fluoroacetylene 1ΣC∞v
710 HCCCl Chloroacetylene 1ΣC∞v
711 HCCBr bromoacetylene 1ΣC∞v
712 HFCO+ formyl fluoride cation 2A'Cs
713 CHCl2 dichloromethyl radical 2B1C2v
714 CHCl2 dichloromethyl radical 2A'Cs
715 CHF2 difluoromethyl radical 2ACs
716 CHF2+ difluoromethyl cation   
717 CHFCl Chlorofluoromethyl radical   
718 CHFCl+ Chlorofluoromethyl cation   
719 CHCl2+ dichloromethyl cation   
720 CHBr2 dibromomethyl radical   
721 NHF2 difluoramine   
722 NHCl2 dichloroamine   
723 CH2F2 Methane, difluoro- 1A1C2v
724 SiH2F2 difluorosilane   
725 CH2Cl2 Methylene chloride 1A1C2v
726 CH2BrF Methane, bromofluoro- 1A'Cs
727 CH2BrCl Methane, bromochloro- 1A'Cs
728 CH2FI fluoroiodomethane   
729 CH2Br2 dibromomethane 1A1C2v
730 CH2I2 Diiodomethane   
731 SiH2Cl2 dichlorosilane 1A1C2v
732 CH3MgBr Methyl Magnesium Bromide   
733 CH2CHF Ethene, fluoro- 1A'Cs
734 CH2FOH fluoromethanol   
735 CH2CH2Cl 2-chloroethyl radical 2A'Cs
736 CHClCH3 1-chloroethyl radical 2AC1
737 C2H5Br Ethyl bromide 1A'Cs
738 C2H5I Ethyl iodide   
739 B4H10 Tetraborane(10) 1A1C2v
740 C4 Carbon tetramer 3ΣgD∞h
741 C4 Carbon tetramer   
742 C4H2 Diacetylene 1ΣgD∞h
743 C4H2+ diacetlyene cation 2ΠgD∞h
744 C4H4 Tetrahedrane   
745 C4H6 1-Methylcyclopropene 1AC1
746 CHCCH2CH3 1-Butyne 1A'Cs
747 C4H8 methylcyclopropane 1A'Cs
748 CH2CHCH2CH3 1-Butene 1AC1
749 CH3CH2CH2CH3 Butane 1AgAnti
750 CH3CH2CH2CH3 Butane 1AGauche
751 Li3N trilithium nitride 1A'D3h
752 Li3N trilithium nitride 1A1C3v
753 C2N2 Cyanogen 1ΣgD∞h
754 As4 Arsenic tetramer 1A1Td
755 HCCCN+ Cyanoacetylene cation 2ΠC∞v
756 H2CNCN cyanamide, methylene   
757 HNCCNH Ethenediimine   
758 CH3N3 methyl azide 1A'Cs
759 NH2CCNH2 Diaminoacetylene 1AC2
760 NH2CH2CN Aminoacetonitrile 1A'Cs
761 CH3NHN2+ methyl azide, protonated 1AC1
762 C2H5CN ethyl cyanide 1A'Cs
763 C4H6 Bicyclo[1.1.0]butane 1A1C2v
764 H2NCHCHNH2 diaminoethylene   
765 CH7N3 triaminomethane   
766 C4H8 cyclobutane 1A1D2d
767 NH2CH2CH2CH3 1-Propanamine 1A'Cs
768 P(CH3)3 trimethylphosphine 1A1C3v
769 N(SiH3)3 trisilylamine   
770 (CH3)3NH+ protonated trimethyl amine   
771 C3H7NH3+ n-propylamine, protonated 1A'Cs
772 K2O2 dipotassium dioxide   
773 C3O Tricarbon monoxide 1ΣC∞v
774 ONNO NO dimer 1Agtrans C2H
775 ONNO NO dimer 1A1cis C2V
776 S2N2 Disulfur dinitride 1AGD2h
777 CS3-- Carbonotrithioate   
778 NO3- nitrate anion 1A1'D3h
779 SO3 Sulfur trioxide 1A1'D3h
780 SO3-- Sulfate dianion   
781 S4 Sulfur tetramer   
782 S4 Sulfur tetramer   
783 S4 Sulfur tetramer   
784 HNO3 Nitric acid 1A'Cs
785 NH2NO2 nitramide 1A'Cs
786 C3H2O Propadienal   
787 C3H2O Propadienal   
788 C2H2O2 Ethanedial 1AgC2h
789 H2SO3 Sulfurous acid 1A'Cs
790 C2H3NO Nitrosoethylene   
791 CH3NCO methylisocyante   
792 HOCH2CN cyanomethanol   
793 CH3NO2 Methane, nitro- 1A'Cs
794 NH2COOH Carbamic acid 1A'Cs
795 NH2COOH Carbamic acid 1AC1
796 H3AlO3 Aluminum hydroxide   
797 CH2CHCHO Acrolein 1A'Cs
798 CH2CHCHO Acrolein   
799 NH2CONH2 Urea 1A1C2v
800 NH2COOH2+ Carbamic acid, O-protonated 1AC1
801 NH3COOH+ protonated Carbamic acid 1A'Cs
802 CH3COCH2 Acetonyl radical 2A"Cs
803 CH2C(OH)NH2 1-amino vinyl alchohol   
804 CH3C(OH)=NH Ethaninidic acid   
805 CH3CHNOH Acetaldoxime 1A'CS cis
806 HCONHCH3 N-methylformamide 1A'CS cis
807 HCONHCH3 N-methylformamide 1A'CS trans
808 CH3CSNH2 Ethanethioamide   
809 CH5N2O+ urea, N-protonated 1A'Cs
810 H2NCOHNH2+ urea, protonated 1A'Cs
811 C3H5OH Cyclopropanol 1AC1
812 C3H6O 2-Propen-1-ol 1AC1
813 C3H6O Acetone enol 1A'Cs
814 C3H6O Oxetane 1A1C2v
815 C3H6O Oxetane 1A'Cs
816 CH3CH2CHO Propanal 1A'Cs
817 CH3COCH3 Acetone 1A1C2v
818 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
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 Borane, trifluoro- 1A'D3h
828 BF3+ boron trifluoride cation   
829 AlF3 Aluminum trifluoride 1A1'D3h
830 BClF2 Chlorodifluoroborane   
831 ScF3 Scandium trifluoride 1A1'D3h
832 BCl3 Borane, trichloro- 1A1'D3h
833 BCl3+ Boron Trichloride cation   
834 GaF3 Gallium trifluoride 1A1'D3h
835 GaCl3 Gallium trichloride 1A1'D3h
836 CF3- Trifluoromethyl anion 1A1C3v
837 CF3+ Trifluoromethyl cation 1A1'D3h
838 CF2Cl difluorochloromethyl radical   
839 SiF3 Silicon trifluoride radical 2A1C3v
840 SiF3+ Silicon trifluoride cation 1A1'D3h
841 CFCl2 dichlorofluoromethyl radical   
842 CBr3 tribromomethyl radical   
843 ClO2F Chloryl fluoride 1A'Cs
844 ClOOCl Dichlorine dioxide 1AC2
845 SSCl2 Thiothionyl chloride   
846 NF3 Nitrogen trifluoride 1A1C3v
847 NCl3 nitrogen trichloride 1A1C3v
848 AsCl3 Arsenous trichloride 1A1C3v
849 NBr3 Nitrogen Tribromide 1A1C3v
850 NI3 Nitrogen triiodide   
851 PI3 Phosphorus triiodide   
852 ClF3 Chlorine trifluoride 1A1'D3h
853 ClF3 Chlorine trifluoride 1A1C2v
854 HClO3 Chloric Acid 1A'Cs
855 HClO3 Chloric Acid 1AC1
856 CHF3 Methane, trifluoro- 1A1C3v
857 SiHF3 trifluorosilane   
858 CHCl3 Chloroform 1A1C3v
859 CHBrF2 Methane, bromodifluoro- 1A'Cs
860 CHFClBr fluorochlorobromomethane 1AC1
861 CHBrCl2 Methane, bromodichloro- 1A'Cs
862 CHBr2F dibromofluoromethane   
863 NF3H+ protonated nitrogen trifluoride 1A1C3v
864 AsF3H+ Arsenic trifluoride, protonated   
865 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
866 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
867 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
868 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
869 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
870 C2H4F2 1,2-difluoroethane 1AgC2H anti
871 C2H4F2 1,2-difluoroethane 1AC2 gauche
872 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
873 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
874 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
875 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
876 CH2BrCH2Cl 1-bromo-2-chloroethane   
877 CH2BrCH2Cl 1-bromo-2-chloroethane   
878 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
879 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
880 CH2CHCH2F Allyl Fluoride   
881 CH2CHCH2F Allyl Fluoride   
882 CH3CHCHF trans-1-Fluoro-1-propene   
883 CH2FCH2OH 2-fluoroethanol   
884 CH2ClCH2OH 2-Chloroethanol 1A'Cs
885 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
886 CH2FCH2CH3 1-Fluoropropane 1A'Cs
887 CH2FCH2CH3 1-Fluoropropane   
888 CH3CHFCH3 2-Fluoropropane 1A'Cs
889 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
890 B5H9 pentaborane9   
891 C5H4 pentatetraene   
892 C5H6 Propellane 1A1D3h
893 C5H8 Bicyclo[1.1.1]pentane   
894 C5H8 Ethenylcyclopropane 1A'Cs
895 CH2N4 1H-Tetrazole 1A'Cs
896 C3H4N2 1H-Imidazole 1A'Cs
897 C3H4N2 2H-Imidazole 1A1C2v
898 C3H4N2 4H-Imidazole 1A'Cs
899 C4H5N Pyrrole 1A1C2v
900 C4H6N+ pyrrole, alpha-protonated 1A'Cs
901 C4H6N+ pyrrole, beta-protonated 1A'Cs
902 C4H6N+ pyrrole, protonated 1A1C2v
903 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
904 CH3CH2CH2CN Butanenitrile 1A'Cs
905 NH(C2H5)2 diethylamine 1A'Cs
906 C3O2 Carbon suboxide 1ΣGD∞h
907 B2O3 diboron trioxide   
908 B2O3 diboron trioxide   
909 MgCO3 Magnesium Carbonate 1A1C2v
910 BeCO3 Beryllium Carbonate 1A1C2v
911 CHOOCHO diformyl ether   
912 C3H3NO Isoxazole 1A'Cs
913 C3H3NO Oxazole 1A'Cs
914 C3H3NS Thiazole   
915 C4H4O Furan 1A1C2
916 CH3COCCH 3-butyn-2-one 1A'Cs
917 C4H4Se selenophene   
918 CH3OCH2CN Methoxyacetonitrile 1A'Cs
919 CH3OCH2CN Methoxyacetonitrile 1AC1
920 CH3SO2NH2 methanesulfonamide 1A'Cs
921 CH2CHSCHCH2 Divinyl sulfide   
922 HCOOC2H5 Ethyl formate 1A'Cs
923 C2H6O2S Dimethyl sulfone 1A1C2v
924 C4H8S Thiophene, tetrahydro- 1AC1
925 C4H10O Ethoxy ethane 1A1C2v
926 C4H10O Methyl propyl ether 1AC1
927 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
928 C4H9SH 1-Butanethiol   
929 BrONO2 Bromine nitrate 1A'Cs
930 CF3Cl Methane, chlorotrifluoro- 1A1C3v
931 CF2Cl2 difluorodichloromethane 1A1C2v
932 TiF4 Titanium tetrafluoride 1A1Td
933 CF3Br Bromotrifluoromethane 1A1C3v
934 GeF4 Germanium tetrafluoride 1A1Td
935 CCl4 Carbon tetrachloride 1A1Td
936 CBrCl2F bromodichlorofluoromethane   
937 CBr2ClF dibromochlorofluoromethane   
938 CBr2Cl2 dibromodichloromethane 1A1C2v
939 CCl3I trichloroiodomethane   
940 CFBr3 fluorotribromomethane 1A1C3v
941 CBr3Cl tribromochloromethane 1A1C3v
942 CBr4 Carbon tetrabromide 1A1Td
943 SiBr4 Silicon tetrabromide 1A1Td
944 GeBr4 Germanium tetrabromide   
945 ClOF3 Chlorine trifluoride oxide 1A'Cs
946 SF4 Sulfur tetrafluoride 1A1C2v
947 SeF4 Selenium tetrafluoride   
948 SCl4 Sulfur tetrachloride   
949 CH2ClCCCl 1,3-dichloropropyne   
950 CHCl2CCH 3,3-dichloropropyne   
951 CHCl2CHO dichloroacetaldehyde   
952 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
953 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
954 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
955 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
956 CH2FCH2CH2F 1,3-difluoropropane   
957 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
958 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
959 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
960 C2H2N2O Furazan   
961 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
962 NH3BF3 Amminetrifluoroboron 1A1C3v
963 C6H2 hexatriyne 1ΣgD∞h
964 C6H6 Prismane   
965 C6H6 1,2,4,5-Hexatetraene 1AgC2h
966 C6H6 Benzene 1A1gD6h
967 C6H6 Benzvalene 1A1C2v
968 C6H6 Dewar Benzene   
969 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
970 C6H7+ benzene, protonated 1A1C2v
971 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
972 C6H10 1,5-Hexadiene 1AgC2
973 C6H10 3-Hexyne 1A1C2v
974 C6H12 2,3-dimethylbut-1-ene 1A'C2
975 C6H12 hex-1-ene 1A'Cs
976 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
977 C4H2N2 Fumaronitrile 1AgC2h
978 C5H6N+ Pyridinium 1A1C2v
979 MgSO4 Magnesium Sulfate 1A1C2v
980 N2O4 Dinitrogen tetroxide 1AgD2d
981 C3H2O3 vinylene carbonate   
982 C2H2O4 Oxalic Acid 1AgC2h
983 C2H4N2S2 Ethanedithioamide 1AGC2h
984 C2H4O4 Formic acid dimer 1AGC2h
985 C2H5NO3 Nitric acid, ethyl ester 1A'C1
986 C5H6O 2H-Pyran   
987 C5H6O Pentadienal   
988 C4H6O2 γ–Butyrolactone 1AC1
989 C3H6O3 1,3,5-Trioxane 1A1C1
990 C3H6S3 1,3,5-Trithiane 1A1C3v
991 C5H8O Cyclopentanone 1AC2
992 C5H8O Methyl cyclopropyl ketone 1A'Cs
993 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
994 C4H8O2 Ethyl acetate 1A'Cs
995 C5H10O 2-methylbutyraldehyde 1AC1
996 C5H10O 3-Pentanone 1A1C2v
997 C4F2 difluorobutadiyne   
998 ClCOClCO Oxalyl chloride 1AGC2h
999 B2Cl4 Diboron tetrachloride 1A1D2
1000 C2ClF3 Ethene, chlorotrifluoro-   
1001 CF2CCl2 difluorodichloroethylene 1A1C2v
1002 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1003 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1004 C2Br4 tetrabromoethene   
1005 CF3OF Trifluoromethylhypofluorite 1A'Cs
1006 SiF5- silicon pentafluoride anion   
1007 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1008 PF5 Phosphorus pentafluoride 1A1'D3h
1009 SF5+ pentafluoro sulfur cation 1A1'D3h
1010 IF5 pentafluoroiodine   
1011 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1012 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1013 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1014 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1015 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1016 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1017 C4H3ClO Furan, 2-chloro 1A'Cs
1018 C4H3ClO Furan,3-chloro 1A'Cs
1019 C4H8O2 Butanoic acid 1AC1
1020 C7H7 cycloheptatrienyl radical 2A2C2v
1021 C7H7+ cycloheptatrienyl cation 1A1'D7h
1022 CH(CN)3 tricyanomethane   
1023 HN=C=C(CN)2 Dicyanoketenimine   
1024 C5H4O2 furfural 1A'OCCO cis
1025 C5H4O2 furfural 1A'OCCO trans
1026 C6H6O 2,5-Cyclohexadienone 1A1C2v
1027 C5H8O2 Acetylacetone 1AC2
1028 C7H10 Norbornene   
1029 C6H12O Oxepane   
1030 F2CCCF2 tetrafluoroallene   
1031 CF3COO- trifluoro acetate anion 1A'Cs
1032 CF3COF trifluoroacetyl fluoride 1A'Cs
1033 PF6 Hexafluorophosphate neutral 2B2C2v
1034 PF6- Hexafluorophosphate ion 1A1GOh
1035 SF6 Sulfur Hexafluoride 1A1GOh
1036 SeF6 Selenium hexafluoride 1A1GOh
1037 CF3CHF2 pentafluoroethane 1A'Cs
1038 C8H8 cubane 1A1GOh
1039 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1040 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1041 S4N4 Tetrasulfur tetranitride   
1042 C6H5CHO benzaldehyde 1A'Cs
1043 C5H9NO2 Proline 1AC1
1044 C2Cl6 hexachloroethane 1A1gD3d
1045 C6H4F2 1,4-difluorobenzene 1AgD2h
1046 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1047 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1048 C6H4Cl2 1,4-dichlorobenzene   
1049 C6H5NO nitrosobenzene 1A'Cs
1050 C9H20 Nonane 1A1C2v
1051 C3H3N3O3 cyanuric acid 1A1'D3h
1052 C3F6 hexafluoropropene   
1053 C8H18O 1-Octanol   
1054 C10H8 Azulene 1A1C2v
1055 C10H8 naphthalene 1AgD2h
1056 C10H10 bullvalene   
1057 C10H22 Decane 1AGC2h
1058 B12H12-- Dodecahydrododecaborate(2-)   
1059 C12H8 biphenylene 1AgD2h
1060 C6H12O6 Inositol 1A1GD3d
1061 S2F10 disulphur decafluoride   
1062 C13H10 Fluorene   
1063 C14H14 Bibenzyl 1AC2
1064 C6H5COC6H5 benzophenone 1AC2
1065 C19H16 Triphenylmethane 1AC3
1066 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 Na- Sodium atom anion na-  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 LiH- lithium hydride anion lih-  
17 NaH sodium hydride nah  
18 NaH- sodium hydride anion nah-  
19 NaH+ sodium hydride cation nah+  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Be- Beryllium atom anion be-  
23 Mg- Magnesium atom anion mg-  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 BeH- berylium monohydride anion beh-  
31 BeH+ beryllium monohydride cation beh+  
32 MgH- magnesium monohydride anion mgh-  
33 MgH+ magnesium monohydride cation mgh+  
34 CaH Calcium monohydride cah  
35 CaH+ Calcium monohydride cation cah+  
36 ZnH Zinc monohydride znh  
37 BeH2 beryllium dihydride beh2  
38 CaH2 Calcium Hydride cah2  
39 ZnH2 Zinc hydride znh2  
40 B- Boron atom anion b-  
41 BH- boron monohydride anion bh-  
42 BH+ boron monohydride cation bh+  
43 AlH aluminum monohydride alh  
44 AlH- aluminum monohydride anion alh-  
45 AlH+ aluminum monohydride cation alh+  
46 BH2 boron dihydride bh2  
47 BH2- boron dihydride anion bh2-  
48 BH2+ Boron dihydride cation bh2+  
49 AlH2 aluminum dihydride alh2  
50 AlH2- aluminum dihydride anion alh2-  
51 AlH2+ aluminum dihydride cation alh2+  
52 BH3 boron trihydride bh3  
53 BH3- boron trihydride anion bh3-  
54 AlH3+ aluminum trihydride cation alh3+  
55 GaH3 Gallium trihydride gah3  
56 AlH4- Aluminum tetrahydride anion alh4-  
57 C- Carbon atom anion c-  
58 Ti Titanium atom ti  
59 Ti- Titanium atom anion ti-  
60 Ti+ Titanium atom cation ti+  
61 Sn Tin atom sn  
62 Sn+ Tin cation sn+  
63 CH- methylidyne anion ch-  
64 CH+ Methylidyne cation ch+  
65 SiH- silicon monohydride anion sih-  
66 SiH2 silicon dihydride sih2  
67 SiH2- silicon dihydride anion sih2-  
68 SiH2+ silicon dihydride cation sih2+  
69 GeH2- germylene anion geh2-  
70 SiH3- Silyl anion sih3-  
71 CD4 methane-d4 cd4  
72 CH2D2 methane-d2 ch2d2  
73 CH3D methane-d ch3d  
74 CH4+ Methane cation ch4+  
75 CHD3 methane-d3 chd3  
76 SiH4+ Silane cation sih4+  
77 SnH4 Stannane snh4  
78 N- Nitrogen atom anion n-  
79 P- Phosphorus atom anion p-  
80 P+ Phosphorus atom cation p+  
81 Sb Antimony atom sb  
82 NH Imidogen nh  
83 NH- Imidogen anion nh-  
84 NH+ imidogen cation nh+  
85 PH- phosphorus monohydride anion ph-  
86 PH+ phosphorus monohydride cation ph+  
87 AsH+ Arsenic monohydride cation ash+  
88 SbH Antimony monohydride sbh  
89 ND2 Amidogen-d2 nd2  
90 NH2- amino anion nh2-  
91 PH2 Phosphino radical ph2  
92 PH2- Phosphino anion ph2-  
93 PH2+ Phosphino cation ph2+  
94 AsH2 Arsenic dihydride ash2  
95 AsH2+ Arsenic dihydride cation ash2+  
96 ND3 Ammonia-d3 nd3  
97 SbH3 Stibine sbh3  
98 O- Oxygen atom anion o-  
99 Cr Chromium atom cr  
100 Te Tellurium atom te  
101 Te+ Tellurium atom cation te+  
102 DO Hydroxyl-d od  
103 DS Mercapto-d ds  
104 TeH Telluryl radical teh  
105 D2O Deuterium oxide d2o  
106 D2S Hydrogen sulfide-d2 d2s  
107 H2S- Hydrogen sulfide anion h2s-  
108 H2Te Hydrogen Telluride h2te  
109 Mn Manganese atom mn  
110 I Iodine atom iodine  
111 I- Iodine atom anion iodine-  
112 I+ Iodine atom cation iodine+  
113 DF Hydrofluoric acid-d df  
114 DCl Hydrochloric acid-d dcl  
115 HI Hydrogen iodide hi  
116 H2F+ dihydrogen fluoride cation h2f+  
117 Ne- Neon atom anion ne-  
118 Ar- Argon atom anion ar-  
119 Ar+ Argon atom cation ar+  
120 Fe Iron atom fe  
121 Xe Xenon atom xe  
122 NeH+ neon hydrogen cation neh+  
123 XeH+ Xenon, protonated xeh+  
124 Co Cobalt atom cobalt  
125 Ni Nickel atom ni  
126 Li2 Lithium diatomic li2  
127 Li2- lithium diatomic anion li2-  
128 NaLi- lithium sodium anion lina-  
129 NaLi+ lithium sodium cation lina+  
130 LiK Lithium Potassium lik  
131 NaK Sodium Potassium nak  
132 K2 Potassium diatomic k2  
133 Cu2 Copper diatomic cu2  
134 LiBe Lithium Beryllium libe  
135 LiMg Lithium magnesium limg  
136 NaBe Sodium Beryllium nabe  
137 NaMg Sodium Magnesium namg  
138 Be2 Beryllium diatomic be2  
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 Al2H6 dialane al2h6  
151 LiC Lithium Carbide lic  
152 BC boron monocarbide bc  
153 BC- boron monocarbide anion bc-  
154 BC+ boron monocarbide cation bc+  
155 C2- carbon diatomic anion c2-  
156 SiC silicon monocarbide sic  
157 SiC- silicon monocarbide anion sic-  
158 SiC+ silicon monocarbide cation sic+  
159 Si2 Silicon diatomic si2  
160 Si2- silcon diatomic anion si2-  
161 Si2+ silcon diatomic cation si2+  
162 Ge2 Germanium diatomic ge2  
163 C2H+ Ethynyl cation c2h+  
164 ZnCH2 Zinc methylene znch2  
165 CCH2 vinylidene vinylidene  
166 CuCH3 monomethyl copper cuch3  
167 ZnCH3 Zinc monomethyl znch3  
168 CH3CH methylmethylene ch3ch  
169 CH2SiH2 silaethylene ch2sih2  
170 C2H5- Ethyl anion c2h5-  
171 C2H5+ Ethyl cation c2h5+  
172 C2H6+ ethane cation c2h6+  
173 CH3SiH3 methyl silane ch3sih3  
174 GeH3CH3 methyl germane geh3ch3  
175 C2H7+ Ethane, protonated c2h7+  
176 LiN+ Lithium Nitride cation lin+  
177 BeN Beryllium mononitride ben  
178 BeN- Beryllium mononitride anion ben-  
179 BN- boron nitride anion bn-  
180 AlN- aluminum mononitride anion aln-  
181 AlN+ aluminum mononitride cation aln+  
182 GaN Gallium mononitride gan  
183 BN+ boron nitride cation bn+  
184 AlN Aluminum nitride aln  
185 CN+ Cyano cation cn+  
186 CP Carbon monophosphide cp  
187 CP- carbon monophosphide anion cp-  
188 CP+ carbon monophosphide cation cp+  
189 SiN Silicon nitride sin  
190 SiN- silicon mononitride anion sin-  
191 SiN+ silicon mononitride cation sin+  
192 SiP- Silicon monophosphide anion sip-  
193 SiP+ Silicon monophosphide cation sip+  
194 TiN Titanium mononitride tin  
195 N2+ diatomic nitrogen cation n2+  
196 PN- phosphorus nitride anion pn-  
197 PN+ phosphorus nitride cation pn+  
198 P2 Phosphorus diatomic p2  
199 P2- phosphorus diatomic anion p2-  
200 P2+ phosphorus diatomic cation p2+  
201 AsN Arsenic mononitride asn  
202 AsP Arsenic monophosphide asp  
203 SbN Antimony nitride sbn  
204 As2 Arsenic diatomic as2  
205 HNB hydrogen nitrogen boron hnb  
206 HNC hydrogen isocyanide hnc  
207 HCN- Hydrogen cyanide anion hcn-  
208 HCP Phosphaethyne hcp  
209 NNH Dinitrogen monohydride nnh  
210 HPO Hydrogen phosphorus oxide hpo  
211 HPO+ Hydrogen phosphorus oxide cation hpo+  
212 CNH2 Aminomethylidyne radical cnh2  
213 CNH2+ N-protonated hydrogen isocyanide cnh2+  
214 H2CN Dihydrogen cyanide radical h2cn  
215 H2CN+ hydrocyanonium cation h2cn+  
216 HCNH methyleneazane hcnh  
217 HCNH+ N-protonated HCN hcnh+  
218 CH2PH Phosphaethene ch3p  
219 P2H4 Diphosphine p2h4  
220 CH3PH2 Methyl phosphine ch3ph2  
221 CH3NH3+ protonated methylamine ch3nh3+  
222 NH3NH3 Ammonia Dimer nh3nh3  
223 LiO- lithium oxide anion lio-  
224 LiO+ lithium oxide cation lio+  
225 NaO- sodium oxide anion nao-  
226 NaO+ sodium oxide cation nao+  
227 CuO Copper Monoxide cuo  
228 BeO beryllium oxide beo  
229 BeO- Beryllium monoxide anion beo-  
230 BeO+ Beryllium monoxide cation beo+  
231 BeS beryllium sulfide bes  
232 MgO magnesium oxide mgo  
233 MgO- magnesium oxide anion mgo-  
234 MgO+ magnesium oxide cation mgo+  
235 MgS magnesium sulfide mgs  
236 MgS- magnesium sulfide anion mgs-  
237 MgS+ magnesium sulfide cation mgs+  
238 ZnO zinc monoxide zno  
239 ZnS Zinc sulfide zns  
240 BeS- Beryllium monosulfide anion bes-  
241 BeS+ Beryllium monosulfide cation bes+  
242 BO- boron monoxide anion bo-  
243 AlO Aluminum monoxide alo  
244 AlO- Aluminum monoxide anion alo-  
245 AlO+ aluminum monoxide cation alo+  
246 BS boron sulfide bs  
247 BS- boron monosulfide anion bs-  
248 BS+ boron monosulfide cation bs+  
249 AlS Aluminum sulfide als  
250 AlS- aluminum monosulfide anion als-  
251 AlS+ aluminum monosulfide cation als+  
252 BO+ boron monoxide cation bo+  
253 CS carbon monosulfide cs  
254 CS- carbon monosulfide anion cs-  
255 CS+ carbon monosulfide cation cs+  
256 SiO- silicon monoxide anion sio-  
257 SiO+ silicon monoxide cation sio+  
258 SiS- silicon monosulfide anion sis-  
259 SiS+ silicon monosulfide cation sis+  
260 CSe- Carbon monoselenide anion cse-  
261 CSe+ Carbon monoselenide cation cse+  
262 NS- nitrogen sulfide anion ns-  
263 NS+ nitrogen sulfide cation ns+  
264 PO- phosphorus monoxide anion po-  
265 PO+ phosphorus monoxide cation po+  
266 PS- phosphorus monosulfide anion ps-  
267 PS+ phosphorus monosulfide cation ps+  
268 AsO Arsenic monoxide aso  
269 O2+ diatomic oxygen cation o2+  
270 SO- sulfur monoxide anion so-  
271 S2- sulfur diatomic anion s2-  
272 S2+ sulfur diatomic cation s2+  
273 SeO- selenium monoxide anion seo-  
274 SeO+ selenium monoxide cation seo+  
275 SeS Selenium monosulfide ses  
276 SeS- selenium monosulfide anion ses-  
277 SeS+ selenium monosulfide cation ses+  
278 TeO Tellurium monoxide teo  
279 Se2- selenium diatomic anion se2-  
280 Se2+ selenium diatomic cation se2+  
281 Te2 Tellurium diatomic te2  
282 NaOH sodium hydroxide naoh  
283 MgOH magnesium hydroxide mgoh  
284 CaOH Calcium monohydroxide caoh  
285 HCS Thioformyl radical hcs  
286 HCS- Thioformyl anion hcs-  
287 HCS+ Thioformyl cation hcs+  
288 HNO- Nitrosyl hydride anion hno-  
289 HNS Sulfur imide hns  
290 HNS- Sulfur imide anion hns-  
291 HO2- Hydroperoxy anion ho2-  
292 HS2 Thiosulfeno radical hs2  
293 HOCH hydroxycarbene hoch  
294 H2O2+ Hydrogen peroxide cation h2o2+  
295 CH3O Methoxy radical ch3o  
296 CH3S thiomethoxy ch3s  
297 NH3O Ammonia Oxide nh3o  
298 H2POH Phosphinous acid h2poh  
299 H3PO Phosphine oxide h3po  
300 H3O2+ hydrogen peroxide, protonated h3o2+  
301 CH3SeH Methane selenol ch3seh  
302 CH3OH2+ Methanol, protonated ch3oh2+  
303 H2ONH3 Water Ammonia Dimer h2onh3  
304 LiCl- lithium chloride anion licl-  
305 LiCl+ lithium chloride cation licl+  
306 NaF- sodium fluoride anion naf-  
307 KF Potassium Fluoride kf  
308 NaCl- sodium chloride anion nacl-  
309 NaCl+ sodium chloride cation nacl+  
310 KCl Potassium Chloride kcl  
311 CuF Copper monofluoride cuf  
312 LiBr- lithium bromide anion libr-  
313 LiBr+ lithium bromide cation libr+  
314 CuCl Copper monochloride cucl  
315 NaBr Sodium Bromide nabr  
316 NaBr- sodium bromide anion nabr-  
317 NaBr+ sodium bromide cation nabr+  
318 KBr Potassium Bromide kbr  
319 KI Potassium Iodide ki  
320 LiF- lithium fluoride anion lif-  
321 BeF Beryllium monofluoride bef  
322 BeF- Beryllium monofluoride anion bef-  
323 BeF+ Beryllium monofluoride cation bef+  
324 BeCl beryllium monochloride becl  
325 MgF Magnesium monofluoride mgf  
326 MgF- magnesium fluoride anion mgf-  
327 CaF Calcium monofluoride caf  
328 MgCl magnesium monochloride mgcl  
329 MgCl- magnesium monochloride anion mgcl-  
330 MgCl+ magnesium monochloride cation mgcl+  
331 CaCl calcium monochloride cacl  
332 ZnF- Zinc monofluoride anion znf-  
333 ZnF+ Zinc monofluoride cation znf+  
334 ZnCl Zinc monochloride zncl  
335 BeCl- beryllium monochloride anion becl-  
336 BeCl+ beryllium monochloride cation becl+  
337 BF- Boron monofluoride anion bf-  
338 BF+ Boron monofluoride cation bf+  
339 AlF- Aluminum monofluoride anion alf-  
340 AlF+ Aluminum monofluoride cation alf+  
341 BCl boron monochloride bcl  
342 BCl- boron monochloride anion bcl-  
343 BCl+ boron monochloride cation bcl+  
344 AlCl Aluminum monochloride alcl  
345 AlCl- aluminum monochloride anion alcl-  
346 AlCl+ aluminum monochloride cation alcl+  
347 BBr Boron monobromide bbr  
348 AlI Aluminum monoiodide ali  
349 CF- carbon monofluoride anion cf-  
350 CF+ carbon monofluoride cation cf+  
351 CCl carbon monochloride ccl  
352 CCl- carbon monochloride anion ccl-  
353 CCl+ carbon monochloride cation ccl+  
354 SiF- silicon monofluoride anion sif-  
355 SiCl- silicon monochloride anion sicl-  
356 SiCl+ silicon monochloride cation sicl+  
357 NF nitrogen fluoride nf  
358 NF- nitrogen monofluorine anion nf-  
359 NF+ nitrogen monofluoirde cation nf+  
360 NCl- nitrogen monochloride anion ncl-  
361 NCl+ nitrogen monochloride cation ncl+  
362 PF phosphorus monofluoride pf  
363 PF- phosphorus monofluoride anion pf-  
364 PF+ phosphorus monofluoride cation pf+  
365 PCl phosphorus chloride pcl  
366 PCl- phosphorus monochloride anion pcl-  
367 PCl+ phosphorus monochloride cation pcl+  
368 NBr nitrogen monobromide nbr  
369 SbF Antimony monofluoride sbf  
370 SbCl Antimony monochloride sbcl  
371 FO- flourine oxide anion fo-  
372 FO+ fluorine monoxide cation fo+  
373 ClO- chlorine monoxide anion clo-  
374 SF- sulfur monofluoride anion sf-  
375 SCl- sulfur monochloride anion scl-  
376 BrO- Bromine monoxide anion bro-  
377 IO Iodine monoxide io  
378 ClF- clorine monofluoride anion clf-  
379 Cl2- chlorine diatomic anion cl2-  
380 BrF- bromine fluoride anion brf-  
381 BrF+ bromine fluoride cation brf+  
382 BrCl- bromine chloride anion brcl-  
383 BrCl+ bromine chloride cation brcl+  
384 I2 Iodine diatomic i2  
385 HCCl Chloromethylene hccl  
386 CHBr bromomethylene chbr  
387 DOCl Hypochlorous acid-d docl  
388 HOBr Hypobromous acid hobr  
389 HOBr+ Hypobromous acid cation hobr+  
390 HOI Hypoiodous acid hoi  
391 FHF Hydrogen difluoride fhf  
392 FHF- Hydrogen difluoride anion fhf-  
393 NH2F monofluoroamine nh2f  
394 H2F2 Hydrogen fluoride dimer h2f2  
395 CD3F methylfluoride-d3 cd3f  
396 CD3Cl methyl chloride d3 cd3cl  
397 CH3I methyl iodide ch3i  
398 SiH3I Silyl Iodide sih3i  
399 Ne2 Neon diatomic ne2  
400 C3+ carbon trimer cation c3+  
401 C3H3 Propargyl radical propargyl  
402 C3H3- Propargyl anion c3h3-  
403 C3H3+ cyclopropenyl cation cpr+  
404 C3H3+ Propargyl cation c3h3+  
405 C3H5+ Allyl cation allyl+  
406 CH3CHCH 1-propenyl radical ch3chch  
407 Zn(CH3)2 dimethyl zinc dmz  
408 SiH2(CH3)2 dimethylsilane dms  
409 CuCN Copper cyanide cucn  
410 CN2 3H-Diazirin-3-ylidene cn2  
411 NCN Cyanoimidogen ncn  
412 N3- azide anion n3-  
413 HCNN diazomethyl radical hcnn  
414 CH2N2 diazirine ch2n2  
415 CH2NN diazomethane ch2nn  
416 CH3CN+ Acetonitrile cation ch3cn+  
417 CH3NC methyl isocyanide ch3nc  
418 CH3CHN methylmethaniminyl radical ch3chn  
419 NHCHNH2 aminomethanimine cn2h4  
420 C2H5N Aziridine c2h5n  
421 CH2CHNH2 aminoethene aminoethene  
422 CH2NCH3 N-methylmethanimine nmm  
423 CH3CHNH ethanimine ethanimine  
424 NH2BHNH2 diaminoborane nh2bhnh2  
425 NH2CH2NH2 diaminomethane nh2ch2nh2  
426 CH3NHCH3 Dimethylamine ch3nhch3  
427 NH2CH2NH3+ diaminoethane, protonated pdam  
428 Li2O+ dilithium oxide cation li2o+  
429 CNO- fulminate cno-  
430 NCO- cyanate nco-  
431 SCN thiocyanato radical scn  
432 SCN- thiocyanide anion scn-  
433 BO2 Boron dioxide bo2  
434 BO2- Boron dioxide anion bo2-  
435 BO2+ Boron dioxide cation bo2+  
436 N2O+ Nitrous oxide cation n2o+  
437 NNS Nitrogen sulfide nns  
438 PPO Phosphorus oxide phosphide ppo  
439 CO2- Carbon dioxide anion co2-  
440 CO2+ Carbon dioxide cation co2+  
441 OCS+ Carbonyl sulfide cation cos+  
442 SiO2 silicon dioxide sio2  
443 CS2- Carbon disulfide anion cs2-  
444 CS2+ Carbon disulfide cation cs2+  
445 GeS2 Germanium disulfide ges2  
446 SCTe Carbon sulfide Telluride scte  
447 NO2- Nitrogen dioxide anion no2-  
448 PO2 Phosphorus dioxide po2  
449 PO2- Phosphorus dioxide anion po2-  
450 PO2+ Phosphorus dioxide cation po2+  
451 AsO2 Aresenic dioxide aso2  
452 O3- Ozone anion o3-  
453 O3+ Ozone cation o3+  
454 SO2- Sulfur dioxide anion so2-  
455 SO2+ Sulfur dioxide cation so2+  
456 S3- Sulfur trimer anion s3-  
457 TeO2 Tellurium Dioxide teo2  
458 CS2H+ Carbon disulfide, protonated cs2h+  
459 HNCO Isocyanic acid hnco  
460 HOCN cyanic acid hocn  
461 HCO2- formate anion hco2-  
462 HNNO nitrosoazane hnno  
463 HCOO formate neutral radical hcoo  
464 HOCO+ Hydrocarboxyl cation hoco+  
465 HNO2 Nitrous acid hno2  
466 HNO2+ nitrous acid cation hno2+  
467 CH2CO+ Ketene cation ch2co+  
468 HCCOH ethynol hccoh  
469 Mg(OH)2 Magnesium dihydroxide h2mgo2  
470 CH2O2 Dioxirane diox  
471 H2O3 Hydrogen trioxide h2o3  
472 NaOCH3 Sodium methoxide naoch3  
473 CH2CHO Vinyloxy radical ch2cho  
474 CH3CO Acetyl radical ch3co  
475 CH3CO- Acetyl anion ch3co-  
476 CH3CO+ acetyl cation ch3co+  
477 CHONH2 formamide formamide  
478 CH2OOH CH2OOH radical ch2ooh  
479 CH3OO methylperoxy radical ch3oo  
480 CH3OO- methylperoxy anion ch3oo-  
481 CH3OO+ methylperoxy cation ch3oo+  
482 CH2CHOH ethenol ch2choh  
483 H2CONH2+ protonated formamide h2conh2+  
484 NH3CHO+ Formamide, N-Protonated nh3cho+  
485 CH2(OH)2 methanediol ch2o2h2  
486 CH3OOH Methyl peroxide ch3ooh  
487 H2OH2CO water formaldehyde dimer h2oh2co  
488 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
489 CH3CH2O Ethoxy radical ethoxy  
490 CH3OCH2 methoxymethyl radical ch3och2  
491 CH3OHH2O methanol water dimer ch3ohh2o  
492 H2OCH3OH water methanol dimer h2och3oh  
493 ZnF2 Zinc difluoride znf2  
494 FCN Cyanogen fluoride fcn  
495 ClCN chlorocyanogen clcn  
496 BeF2 Beryllium fluoride bef2  
497 MgF2 Magnesium fluoride mgf2  
498 BeCl2 Beryllium chloride becl2  
499 MgCl2 Magnesium dichloride mgcl2  
500 CaCl2 Calcium Chloride cacl2  
501 ZnCl2 Zinc dichloride zncl2  
502 CaF2 Calcium difluoride caf2  
503 BrNO Nitrosyl bromide brno  
504 INO Nitrosyl iodide ino  
505 CF2- Difluoromethylene anion cf2-  
506 CF2+ Difluoromethylene cation cf2+  
507 CCl2 dichloromethylene ccl2  
508 CCl2- dichloromethylene anion ccl2-  
509 CCl2+ dichloromethylene cation ccl2+  
510 SiCl2 Dichlorosilylene sicl2  
511 GeF2 Germanium difluoride gef2  
512 FOO Dioxygen monofluoride radical foo  
513 ClOO chloroperoxy radical cloo  
514 ClOO+ chloroperoxy cation cloo+  
515 OClO+ Chlorine dioxide cation oclo+  
516 ClS2 Sulfur chloride cls2  
517 NF2 Difluoroamino radical nf2  
518 NF2+ Difluoroamino cation nf2+  
519 F2O Difluorine monoxide f2o  
520 SF2- sulfur difluoride anion sf2-  
521 SF2+ sulfur difluoride cation sf2+  
522 Cl2O Dichlorine monoxide cl2o  
523 SCl2 Sulfur dichloride scl2  
524 BrOCl Bromine hypochlorite brocl  
525 BrOBr Bromine oxide brobr  
526 F3- trifluoride anion f3-  
527 Cl3- trichloride anion cl3-  
528 I3- triiodide i3-  
529 HCCF+ fluoroacetylene cation hccf+  
530 HFCO formyl fluoride hfco  
531 COHCl Formyl chloride cohcl  
532 COHBr Formyl bromide cohbr  
533 BHF2 Difluoroborane bhf2  
534 BHCl2 Borane, dichloro- bhcl2  
535 HOClO Chlorous acid hoclo  
536 CH2FCl fluorochloromethane ch2fcl  
537 CH2ClI chloroiodomethane ch2cli  
538 CH2BrI bromoiodomethane ch2bri  
539 CH2CHF+ fluoroethene cation ch2chf+  
540 C2H3Cl Ethene, chloro- ch2chcl  
541 C2H3Br vinyl bromide c2h3br  
542 C2H3I Vinyl iodide c2h3i  
543 CH3OCl methyl hypochlorite ch3ocl  
544 C2H5F fluoroethane c2h5f  
545 CH3CH2Cl Ethyl chloride c2h5cl  
546 CH3SiFH2 fluoromethylsilane ch3sifh2  
547 KrF2 Krypton difluoride krf2  
548 XeF2 Xenon difluoride xef2  
549 C4+ Carbon tetramer cation c4+  
550 C2H3CCH 1-Buten-3-yne c2h3cch  
551 C4H4 cyclobutadiene cbd  
552 H2CCCCH2 Butatriene h2cccch2  
553 C4H6 Cyclobutene c822355  
554 C4H6 Methylenecyclopropane c6142730  
555 CH2CCHCH3 1,2-Butadiene butad12  
556 CH2CHCHCH2 1,3-Butadiene c106990  
557 CH3CCCH3 2-Butyne c503173  
558 CH3CHCHCH2 methylallyl radical c4h7  
559 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
560 CH3CHCHCH3 2-Butene, (E)- bute2e  
561 CH3CHCHCH3 2-Butene, (Z)- bute2z  
562 B(CH3)3 trimethylborane bme3  
563 Al(CH3)3 trimethyl aluminum tma  
564 C(CH3)3 Tert-butyl radical tbutyl  
565 CH2CH(CH3)2 Isobutyl radical isobutyl  
566 CH3CHCH2CH3 2-Butyl radical butyl2  
567 CH3CH(CH3)CH3 Isobutane isobutane  
568 SiH(CH3)3 trimethylsilane trimsi  
569 C2N2+ Cyanogen cation c2n2+  
570 P4 Phosphorus tetramer p4  
571 HCCCN Cyanoacetylene hcccn  
572 C3H3N acrylonitrile ch2chcn  
573 C3H3N+ acrylonitrile cation ch2chcn+  
574 CH5N3 Guanidine guanidine  
575 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
576 CH6N3+ guanidinium ch6n3+  
577 C3H7N Cyclopropylamine cpram  
578 C3H7N Azetidine azet  
579 C2H8N2 Ethylenediamine ethdiam  
580 CH3NHNHCH3 dimethyl hydrazine dmh  
581 CH3CH(NH2)CH3 2-Propanamine pram2  
582 N(CH3)3 Trimethylamine trimeam  
583 As(CH3)3 trimethyl arsine tmas  
584 Li2O2 dilithium dioxide li2o2  
585 B2O2 Diboron dioxide b2o2  
586 CO3 Carbon trioxide co3  
587 CO3-- carbonate co3--  
588 NO3 Nitrogen trioxide no3  
589 NO3+ nitrogen trioxide cation no3+  
590 SO3- Sulfur trioxide anion so3-  
591 SO3+ Sulfur trioxide cation so3+  
592 SeO3 selenium trioxide seo3  
593 TeO3 Tellurium trioxide teo3  
594 HCO3- bicarbonate anion hco3-  
595 HSO3 Hydroxysulfonyl radical hso3  
596 C2H2CO cyclopropenone c2h2co  
597 HCCCHO 2-propynal hcccho  
598 C2H2O2+ Ethanedial cation c2h2o2+  
599 H2CO3 Carbonic acid h2co3  
600 H2CS3 thiocarbonic acid h2cs3  
601 H2NO3+ Nitric Acid, Protonated h2no3+  
602 CH3COO- acetate anion ch3coo-  
603 CH3ONO Methyl nitrite ch3ono  
604 H3BO3 Boric acid h3bo3  
605 H3CO3+ carbonic acid, protonated h3co3+  
606 C3H4O 2-Propyn-1-ol c107197  
607 C3H4O allenol c9000071  
608 C3H4O Cyclopropanone cpone  
609 C3H4O Methylketene c6004440  
610 NH2CONH2+ Urea cation urea+  
611 NH2CSNH2 Thiourea thiourea  
612 C2H4O2 1,3-dioxetane c2h4o2  
613 CH3COOH Acetic acid ch3cooh  
614 CH3OCHO methyl formate ch3ocho  
615 CHOCH2OH hydroxy acetaldehyde haa  
616 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
617 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
618 HCOOHH2O Formic acid water dimer hcoohh2o  
619 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
620 CH3CONH2 Acetamide acetamide  
621 C2H5OO ethylperoxy radical c2h5oo  
622 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
623 C3H6O Propylene oxide prox  
624 CH3COCH3- acetone anion ch3coch3-  
625 C3H6S Thietane thietane  
626 C3H6S Thiirane, methyl- methiirane  
627 CH3CSCH3 Thioacetone ch3csch3  
628 C2H6O2 1,2-Ethanediol ethdiol  
629 CH3OOCH3 dimethylperoxide dmp  
630 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
631 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
632 CH3COHCH3+ acetone, protonated acetoneh+  
633 HOCH2CH2NH2 monoethanolamine mea  
634 CH3CHOHCH3 Isopropyl alcohol isoproh  
635 C3H7SH 1-Propanethiol prsh  
636 CH3CHSHCH3 2-Propanethiol isoprsh  
637 CH3SCH2CH3 Ethane, (methylthio)- etsme  
638 H2OCH3OCH3 water dimethylether dimer h2och3och3  
639 Na2F2 Sodium Fluoride Dimer na2f2  
640 Na2Cl2 Disodium dichloride na2cl2  
641 C2F2 difluoroacetylene c2f2  
642 C2Cl2 dichloroacetylene c2cl2  
643 C2Cl2+ dichloroacetylene cation c2cl2+  
644 ClNO2 Nitryl chloride clno2  
645 BrONO Bromine nitrite brono  
646 N2F2 (Z)-Difluorodiazene n2f2_z  
647 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
648 COFCl Carbonic chloride fluoride cofcl  
649 CCl2O Phosgene cl2co  
650 Cl2CS Thiophosgene cl2cs  
651 COBr2 Carbonic dibromide cobr2  
652 BF3- Borane, trifluoro- anion bf3-  
653 AlF2Cl Aluminum chloride difluoride alclf2  
654 AlFCl2 Aluminum dichloride fluoride alcl2f  
655 AlCl3 Aluminum trichloride alcl3  
656 BBr3 Boron tribromide bbr3  
657 AlBr3 Aluminum Bromide albr3  
658 ClO3 Chlorine trioxide clo3  
659 ClO3- chlorate anion clo3-  
660 BrO3- Bromate anion bro3-  
661 CF3 Trifluoromethyl radical cf3  
662 CCl3 Trichloromethyl radical ccl3  
663 CCl3- Trichloromethyl anion ccl3-  
664 CCl3+ Trichloromethyl cation ccl3+  
665 SiCl3 trichlorosilyl radical sicl3  
666 SiCl3+ trichlorosilyl cation sicl3+  
667 FOOF Perfluoroperoxide foof  
668 F2SO Thionyl Fluoride f2so  
669 FSSF Difluorodisulfane fssf  
670 S2F2 Thio-thionyl fluoride s2f2  
671 SOCl2 thionyl chloride socl2  
672 SeOCl2 selenium oxychloride seocl2  
673 NF3- Nitrogen trifluoride anion nf3-  
674 NF3+ Nitrogen trifluoride cation nf3+  
675 PF3 Phosphorus trifluoride pf3  
676 AsF3 Arsenic trifluoride asf3  
677 PCl3 Phosphorus trichloride pcl3  
678 SbF3 Antimony Trifluoride sbf3  
679 SbCl3 Antimony Trichloride sbcl3  
680 PBr3 Phosphorus tribromide pbr3  
681 AsBr3 Arsenic tribromide asbr3  
682 ClSSCl Disulfur dichloride s2cl2  
683 SF3 Sulfur trifluoride sf3  
684 BrF3 Bromine trifluoride brf3  
685 IF3 iodone trifluoride if3  
686 CHF2Cl difluorochloromethane chf2cl  
687 CHFCl2 fluorodichloromethane chfcl2  
688 CDCl3 trichloromethane-d cdcl3  
689 SiHCl3 Trichlorosilane sihcl3  
690 CHF2I difluoroiodomethane chf2i  
691 CHFClI fluorochloroiodomethane chfcli  
692 CHCl2I dichloroiodomethane chcl2i  
693 CHClBr2 Methane, dibromochloro- chclbr2  
694 CHBr3 bromoform chbr3  
695 CHI3 Iodoform chi3  
696 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
697 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
698 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
699 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
700 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
701 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
702 C2H2Br2 1,1-dibromoethene c2h2br2  
703 CH2FCHO Fluoroacetaldehyde ch2fcho  
704 CH3COF Acetyl fluoride ch3cof  
705 CH2ClCHO chloroacetaldehyde ch2clcho  
706 CH3COCl Acetyl Chloride ch3cocl  
707 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
708 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
709 CH2CFCH3 2-fluoropropene 2fpro  
710 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
711 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
712 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
713 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
714 CH3CH2CH2Br n-propyl bromide prbr  
715 CH3CHBrCH3 i-propyl bromide iprbr  
716 C3H9O+ trimethyl oxonium cation c3h9o+  
717 C5H5 cyclopentadienyl radical c5h5  
718 C5H5- cylopentadienyl anion c5h5-  
719 C5H6 1,3-Cyclopentadiene c542927  
720 C5H6 1-Buten-3-yne, 2-methyl- c78808  
721 C5H6 3-Penten-1-yne, (E)- c2004695  
722 C5H6 3-Penten-1-yne, (Z)- c1574409  
723 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
724 C5H6 Cyclopropylacetylene c6746947  
725 C5H7 1,3-pentadienyl radical pdyl  
726 C5H7 cyclopentenyl radical cpyl  
727 C5H8 1,2-Butadiene, 3-methyl- c598254  
728 C5H8 1,2-Pentadiene c591957  
729 C5H8 1,3-Butadiene, 2-methyl- c78795  
730 C5H8 1,3-Pentadiene, (E)- c2004708  
731 C5H8 1,3-Pentadiene, (Z)- c1574410  
732 C5H8 1,4-Pentadiene c591935  
733 C5H8 1-pentyne a1pentyne  
734 C5H8 2,3-Pentadiene c591968  
735 C5H8 Cyclobutane, methylene- c1120565  
736 C5H8 Cyclopentene c142290  
737 CH3CCCH2CH3 2-Pentyne 2pentyne  
738 C5H10 1-Butene, 2-methyl- c563462  
739 C5H10 2-Butene, 2-methyl- c513359  
740 C5H10 2-Pentene, (E)- c646048  
741 C5H10 2-Pentene, (Z)- c627203  
742 C5H10 Cyclopentane c287923  
743 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
744 CH2CHCH2CH2CH3 1-pentene pentene  
745 C5H11 2-Methylbut-2-yl radical c4348350  
746 C5H12 Butane, 2-methyl- buta2  
747 C5H12 Pentane pentane  
748 C5H12 Propane, 2,2-dimethyl- neopentane  
749 Si(CH3)4 tetramethylsilane tms  
750 N2O3 Dinitrogen trioxide n2o3  
751 C3H2N2 Malononitrile c3h2n2  
752 C3H3N2 imidazolyl radical im  
753 C3H3N2- imidizolyl anion im-  
754 C2H3N3 1H-1,2,4-Triazole c288880  
755 C4H4N pyrrolide radical c4h4n  
756 C4H4N- pyrrolide anion c4h4n-  
757 C3H4N2 1H-Pyrazole 1hpyraz  
758 C4H5N (E)-2-Butenenitrile c627269  
759 C4H5N (Z)-2-Butenenitrile c1190767  
760 C4H5N 2H-pyrrole pyrrole2  
761 C4H5N 3H-pyrrole pyrrole3  
762 C4H5N Cyclopropanecarbonitrile c5500210  
763 CH2CHCH2CN Allylcyanide ch2chch2cn  
764 C3H6N2 3-Aminopropionitrile c151188  
765 C5H8 Bicyclo[2.1.0]pentane c185944  
766 C5H8 Spiropentane c157404  
767 C4H9N Cyclobutylamine cbam  
768 C4H9N Pyrrolidine pyrrolidine  
769 C3H10N2 1,2-Diaminopropane diampr12  
770 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
771 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
772 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
773 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
774 NC4H12+ tetramethyl ammonium cation nc4h12+  
775 C3O2+ Carbon suboxide cation c3o2+  
776 CaCO3 Calcium Carbonate caco3  
777 ONONO Nitrosyl nitrite onono  
778 PO4--- phosphate po4---  
779 SO4-- sulfate so4--  
780 HOONO2 peroxy nitric acid hoono2  
781 HSO4- bisulfate anion hso4-  
782 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
783 C3H2O2 Propiolic acid c3h2o2  
784 CHOCOOH oxo acetic acid oaa  
785 H2SO4 Sulfuric acid h2so4  
786 H2SeO4 Selenic acid h2seo4  
787 CH3C(O)OO acetyl peroxy radical ch3coo2  
788 CH3NO3 Methyl nitrate ch3no3  
789 H3PO4 Phosphoric Acid h3po4  
790 C4H4O+ Furan cation furan+  
791 C4H4S Thiophene furans  
792 C3H4O2 β–Propiolactone beta  
793 C3H4O2 2-Propenoic acid propenoic2  
794 C3H4O2 Methyl glyoxal megly  
795 C3H4O2 propanedial propanedial  
796 C3H4O2 propenalol propenalol  
797 HOCHCCHOH allenediol aldiol  
798 C2H4O3 1,2,3-trioxolane c2h4o3  
799 C2H4O3 trioxolane124 triox  
800 HOCH2COOH Hydroxyacetic acid hac  
801 CH2CHCONH2 Acrylamide c79061  
802 CH5N3S Hydrazinecarbothioamide c79196  
803 H2NCH2COOH Glycine glycine  
804 C4H6O cis-2-butenal butenal2c  
805 C4H6O Cyclobutanone cbutone  
806 C4H6O Furan, 2,3-dihydro- furan23h  
807 C4H6O Furan, 2,5-dihydro- furan25h  
808 CH2CHOCHCH2 Vinyl ether vinylether  
809 CHOCHCHCH3 2-Butenal butenal2  
810 C4H6S Thiophene, 2,3-dihydro- thiop23h  
811 C4H6S Thiophene, 2,5-dihydro- thiop25h  
812 C2H6N2O Urea, methyl- c598505  
813 C3H6O2 1,3-Dioxolane dioxolane  
814 CH3CH2COOH Propanoic Acid propanoic  
815 CH3COOCH3 methyl acetate aame  
816 CH3SSSCH3 dimethyl trisulfide c2h6s3  
817 C3H7NO dimethylformamide dmf  
818 C3H7NO Propanamide propanam  
819 C2H3OC2H5 Ethene, ethoxy- c109922  
820 C4H8O Cyclobutanol c2919235  
821 C4H8O Furan, tetrahydro- thf  
822 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
823 CH3COCH2CH3 2-Butanone buta2one  
824 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
825 CHOCH2CH2CH3 Butanal butanal  
826 C3H8O2 1,3-Propanediol c504632  
827 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
828 C3H8O2 Methane, dimethoxy- c109875  
829 C3H8O2 Propylene glycol c57556  
830 C3H8S2 1,3-Propanedithiol c109808  
831 C4H10O 1-Butanol butanol1  
832 C4H10O 1-Propanol, 2-methyl- c78831  
833 C4H10O 2-Butanol, (.+/-.)- butanol2  
834 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
835 C4H10O Propane, 2-methoxy- c598538  
836 C4H10O+ 1-Butanol cation butanol1+  
837 C2H5SC2H5 Diethyl sulfide etset  
838 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
839 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
840 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
841 FNO3 Fluorine nitrate fno3  
842 ClONO2 Chlorine nitrate clono2  
843 TiCl4 Titanium tetrachloride ticl4  
844 ClO4- perchlorate anion clo4-  
845 BF4- tetrafluoroboron anion bf4-  
846 ClFO3 Perchloryl fluoride clfo3  
847 SO2F2 Sulfuryl fluoride so2f2  
848 SO2Cl2 Sulfuryl chloride so2cl2  
849 F3NO Nitrogen trifluoride oxide f3no  
850 F3PO Phosphoryl fluoride pf3o  
851 Cl3PO Phosphoryl chloride pcl3o  
852 CF4 Carbon tetrafluoride cf4  
853 SiF4 Silicon tetrafluoride sif4  
854 CFCl3 Trichloromonofluoromethane cfcl3  
855 CCl4+ Carbon tetrachloride cation ccl4+  
856 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
857 SiCl4 Silane, tetrachloro- sicl4  
858 CF3I trifluoroiodomethane cf3i  
859 CBrCl3 Methane, bromotrichloro- cbrcl3  
860 CBr2F2 Methane, dibromodifluoro- cbr2f2  
861 GeCl4 Germanium Tetrachloride gecl4  
862 CFClBrI fluorochlorobromoiodomethane cfclbri  
863 CF2I2 difluorodiiodomethane cf2i2  
864 CCl2I2 dichlorodiiodomethane ccl2i2  
865 CBr3I tribromoiododmethane cbr3i  
866 CI4 tetraiodomethane ci4  
867 SiI4 silicon tetraiodide sii4  
868 C2HF3 Trifluoroethylene c2hf3  
869 C2HF3+ Trifluoroethylene cation c2hf3+  
870 CHClCCl2 Trichloroethylene chclccl2  
871 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
872 HClO4 perchloric acid hclo4  
873 HSO3F Fluorosulfonic acid hso3f  
874 CF3OH trifluoromethanol cf3oh  
875 CHClCCHCl 1,3-dichloroallene chclcchcl  
876 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
877 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
878 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
879 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
880 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
881 SiCl3CH3 methyltrichlorosilane sicl3ch3  
882 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
883 NH3BCl3 Amminetrichloroboron nh3bcl3  
884 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
885 C3H5ClO Oxirane, (chloromethyl)- c106898  
886 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
887 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
888 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
889 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
890 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
891 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
892 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
893 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
894 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
895 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
896 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
897 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
898 C4H9F 1-fluorobutane butaf1  
899 CH3CHFCH2CH3 2-fluorobutane butaf2  
900 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
901 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
902 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
903 XeF4 Xenon tetrafluoride xef4  
904 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
905 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
906 C6H4 Benzyne benzyne  
907 C6H5 phenyl phenyl  
908 C6H5- phenyl anion phenyl-  
909 C6H6 2,4-Hexadiyne hexadiyne  
910 C6H6 3,4-Dimethylenecyclobutene cb34m  
911 C6H6 Trimethylenecycopropane tmcp  
912 C6H6+ Benzene cation c6h6+  
913 C6H8 (E)-hexa-1,3,5-triene c821078  
914 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
915 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
916 C6H8 1,3-Cyclohexadiene cyhexadiene13  
917 C6H8 1,4-Cyclohexadiene cyhexadiene14  
918 C6H8 3-Methylenecyclopentene c930267  
919 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
920 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
921 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
922 C6H10 1,3-Hexadiene, (E)- hexdi13e  
923 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
924 C6H10 1,4-Hexadiene, (E)- hexdi14t  
925 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
926 C6H10 1-Butyne, 3,3-dimethyl- c917920  
927 C6H10 1-Hexyne hexyne1  
928 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
929 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
930 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
931 C6H10 2-Hexyne c764352  
932 C6H10 cyclohexene cyclohexene  
933 C6H10 Cyclopentene, 1-methyl- c693890  
934 C6H10 Cyclopentene, 3-methyl- c1120623  
935 C6H10 Cyclopentene, 4-methyl- c1759815  
936 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
937 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
938 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
939 C6H12 (E)-2-Hexene e2hexene  
940 C6H12 (E)-3-methylpent-2-ene c616126  
941 C6H12 (E)-hex-3-ene e3hexene  
942 C6H12 (Z)-3-methylpent-2-ene c922623  
943 C6H12 (Z)-hex-2-ene z2hexene  
944 C6H12 (Z)-hex-3-ene z3hexene  
945 C6H12 2,3-dimethyl-but-2-ene tmeet  
946 C6H12 3-methylenepentane c760214  
947 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
948 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
949 C6H12 Cyclohexane cyclohexane  
950 C6H12 Cyclopentane, methyl- c96377  
951 C6H12 Ethylcyclobutane c4806615  
952 C6H14 Butane, 2,2-dimethyl- buta22  
953 C6H14 Butane, 2,3-dimethyl- buta23  
954 C6H14 Hexane hexane  
955 C6H14 Pentane, 2-methyl- penta2  
956 C6H14 Pentane, 3-methyl- penta3  
957 C4N2 2-Butynedinitrile c4n2  
958 C2H2N4 sym-tetrazine ttz  
959 C3H3N3 1,3,5-Triazine triazine135  
960 CH3N5 5-Aminotetrazole c4418615  
961 C4H4N2 1,3-Diazine diazine13  
962 C4H4N2 Pyrazine pyrazine  
963 C4H4N2 Pyridazine pyridazine  
964 C4H4N2 Succinonitrile c110612  
965 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
966 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
967 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
968 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
969 C5H5N E-2,4-pentadienenitrile bdcn  
970 C5H5N Pyridine pyridine  
971 B3N3H6 borazine borazine  
972 C6H6 Fulvene fulvene  
973 C4H6N2 1H-Imidazole, 2-methyl- c693981  
974 C5H7N (E)-2-Pentenenitrile c26294984  
975 C5H7N (E)-3-Pentenenitrile c16529661  
976 C5H7N (Z)-2-Pentenenitrile c25899507  
977 C5H7N 1H-Pyrrole, 1-methyl- c96548  
978 C5H7N Cyclobutanecarbonitrile c4426113  
979 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
980 C5H9N Butanenitrile, 2-methyl- c18936179  
981 C5H9N Pentanenitrile c110598  
982 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
983 C6H10 Bicyclo[3.1.0]hexane c285585  
984 C5H11N Cyclopentanamine cypentam  
985 C5H11N Piperidine piper  
986 C4H12N2 1,2-Butanediamine c4426486  
987 C4H12N2 2-Methyl-1,2-propanediamine c811938  
988 Li2CO3 Lithium Carbonate li2co3  
989 Na2CO3 Sodium Carbonate na2co3  
990 C2O4-- oxalate anion c2o4  
991 C2H3NO3 Oxamic acid oxamic  
992 C4H4O2 2(5H)-Furanone furanone  
993 C4H4O2 2-Oxetanone, 4-methylene- c674828  
994 C2H4N2O2 Oxalamide oxalamide  
995 C2H4CO3 Ethylene carbonate etco3  
996 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
997 C3H4S3 1,3-Dithiolane-2-thione c822388  
998 C4H5NO 3-Methylisoxazole isox3m  
999 C4H5NO Isoxazole, 5-methyl- c5765446  
1000 C4H5NS 4-Methylthiazole c693958  
1001 C5H6O 2-methylfuran furan2m  
1002 C5H6O 3-Methylfuran furan3m  
1003 C5H6S Thiophene, 2-methyl- c554143  
1004 C5H6S Thiophene, 3-methyl- c616444  
1005 C4H6O2 2,3-Butanedione c431038  
1006 C4H6O2 2-Propenoic acid, methyl ester c96333  
1007 C4H6O2 Crotonic Acid crot  
1008 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1009 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1010 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1011 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1012 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1013 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1014 C4H6OS Vinyl sulfoxide c1115157  
1015 CH6N4S Carbonothioic dihydrazide thiacarb  
1016 C2H6N2O2 (E)-Azodioxymethane c37765154  
1017 C2H6N2O2 Dimethylnitroamine c4164287  
1018 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1019 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1020 C4H7NO 2-Pyrrolidinone c616455  
1021 C4H7NO Ethoxyacetonitrile etoaccn  
1022 C4H7NO Methacrylamide c79390  
1023 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1024 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1025 C3H7ONO Propyl nitrite prono  
1026 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1027 CH3CH(NH2)COOH Alanine alanine  
1028 CH3NHCH2COOH Sarcosine sarcosine  
1029 NH2CH2CH2COOH β–alanine betaalanine  
1030 NH2COOC2H5 Urethane urethane  
1031 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1032 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1033 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1034 NH2CONHC2H5 Urea, ethyl- c625525  
1035 C4H8O2 1,3-Dioxane dioxan13  
1036 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1037 C4H8O2 1,4-Dioxane dioxan14  
1038 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1039 C4H8OS s-Ethyl thioacetate c625605  
1040 C3H8O3 1,2,3-Propanetriol glycerin  
1041 C3H8O2S (Methylsulfonyl)ethane c594434  
1042 C4H9NO Butanamide c541355  
1043 C4H9NO Propanamide, 2-methyl- c563837  
1044 C5H10O 2-Butanone, 3-methyl- c563804  
1045 C5H10O 2H-Pyran, tetrahydro- c142687  
1046 C5H10O 2-Pentanone mpk  
1047 C5H10O Cyclopentanol c96413  
1048 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1049 C5H10O Pentanal pal  
1050 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1051 C5H10S 3-Ethylthio-1-propene c5296628  
1052 C5H10S Cyclopentanethiol c1679078  
1053 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1054 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1055 C4H10O2 1,1-Dimethoxyethane c534156  
1056 C4H10O2 1,3-Butanediol budiol13  
1057 C4H10O2 1,4-Butanediol budiol14  
1058 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1059 C4H10OS Diethyl sulfoxide c70291  
1060 C4H10S2 1,4-Butanedithiol budisl14  
1061 C4H11NO Diethylhydroxylamine c3710847  
1062 C5H12O 1-Butanol, 2-methyl- c137326  
1063 C5H12O 1-Butanol, 3-methyl- c123513  
1064 C5H12O 1-Pentanol pentanol1  
1065 C5H12O 2-Butanol, 3-methyl- c598754  
1066 C5H12O 2-Pentanol peol2  
1067 C5H12O 3-Pentanol pentan3ol  
1068 C5H12O Butane, 1-methoxy- meobu  
1069 C5H12O Propane, 1-ethoxy- proet  
1070 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1071 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1072 C5H12S 1-Butanethiol, 3-methyl- c541311  
1073 C5H12S 1-Pentanethiol c110667  
1074 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1075 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1076 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1077 C5H12S Butane, 1-(methylthio)- c628295  
1078 C5H12S Ethyl propyl sulfide c4110503  
1079 C5H12S Propane, 2-(ethylthio)- c5145993  
1080 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1081 CF3CN Acetonitrile, trifluoro- cf3cn  
1082 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1083 B2F4 Diboron tetrafluoride b2f4  
1084 C2F4 Tetrafluoroethylene c2f4  
1085 C2F4+ Tetrafluoroethylene cation c2f4+  
1086 C2FCl3 fluorotrichloroethene c2fcl3  
1087 C2Cl4 Tetrachloroethylene c2cl4  
1088 AsF5 Arsenic pentafluoride asf5  
1089 PCl5 Phosphorus pentachloride pcl5  
1090 SF5 Sulfur pentafluoride sf5  
1091 SbCl5 Antimony pentachloride sbcl5  
1092 BrF5 bromine pentafluoride brf5  
1093 ClF5 chlorinepentafluoride clf5  
1094 CF3CHO trifluoroacetaldehyde cf3cho  
1095 CCl3CHO trichloroacetaldehyde ccl3cho  
1096 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1097 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1098 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1099 CF3COOH trifluoroacetic acid cf3cooh  
1100 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1101 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1102 C4H8Cl2 1,4-Dichlorobutane c110565  
1103 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1104 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1105 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1106 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1107 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1108 C5H11Cl Pentane, 1-chloro- pencl1  
1109 C6H5CH2 benzyl radical benzyl  
1110 C6H5CH3 toluene toluene  
1111 C7H8 cycloheptatriene cht  
1112 C7H8 Norbornadiene norbor  
1113 C7H8 Quadricyclane qucy  
1114 C7H12 Norbornane nor  
1115 C7H14 cycloheptane c7h14  
1116 C7H16 2-methylhexane 2mhex  
1117 C7H16 3-methylhexane hex3m  
1118 C7H16 heptane heptane  
1119 C6H7N 2-Methylpyridine mp  
1120 C6H5NH2 aniline aniline  
1121 C6H13N 2-Methylpiperidine pip2m  
1122 C6H13N cyclohexanamine cham  
1123 C6H15N triethylamine tea  
1124 N2O5 Dinitrogen pentoxide n2o5  
1125 C4H2O3 Maleic Anhydride malan  
1126 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1127 C6H5O phenoxy radical phenoxy  
1128 C5H5NO 2(1H)-Pyridinone c72762006  
1129 C5H5NO 2(3H)-Pyridinone c9000048  
1130 C5H5NO 2(5H)-Pyridinone c9000037  
1131 C5H5NO 2-Pyridinol c109104  
1132 C5H5NO 3(2H)-Pyridinone c9000004  
1133 C5H5NO 3(4H)-Pyridinone c9000026  
1134 C5H5NO 3(6H)-Pyridinone c9000015  
1135 C5H5NO 3-Pyridinol c109002  
1136 C5H5NO 4(1H)-Pryidinone c9000060  
1137 C5H5NO 4(3H)-Pryidinone c9000059  
1138 C5H5NO 4-Pyridinol c626642  
1139 C6H5OH phenol phenol  
1140 C6H6O 2,4-Cyclohexadienone c24599573  
1141 C6H5SH Benzenethiol phsh  
1142 HO2CCHNH2CH2OH Serine serine  
1143 C4H8O2S Sulfolane sulfolane  
1144 CH(C2H3)3 trivinyl methane tvm  
1145 C6H10O cyclohexanone chexo  
1146 C6H12O hexanal c6h12o  
1147 C3H7OC3H7 di-n-propyl ether propr  
1148 CF3COCl trifluoroacetyl chloride cf3cocl  
1149 SF5Cl sulfur chloropentafluoride sf5cl  
1150 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1151 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1152 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1153 CCl3CHCl2 pentachloroethane ccl3chcl2  
1154 C6H5F Fluorobenzene bzf  
1155 C6H5Cl chlorobenzene bzcl  
1156 C6H5Br bromobenzene bzbr  
1157 C8H6 Calicene calicene  
1158 C6H5CCH phenylacetylene phac  
1159 C8H6 benzocyclobutadiene bcbd  
1160 C8H6 Pentalene pentalene  
1161 C6H5CHCH2 Styrene styrene  
1162 C8H8 cyclooctatetraene cot  
1163 C6H5CH2CH3 Ethylbenzene etbz  
1164 CH3C6H4CH3 meta-xylene mxylene  
1165 CH3C6H4CH3 paraxylene pxylene  
1166 C8H16 cyclooctane cyclooct  
1167 C8H18 Octane c8h18  
1168 C6H5CN phenyl cyanide phcn  
1169 C6H12N2 Triethylenediamine ted  
1170 C4O4-- squarate dianion c4o4--  
1171 S8 Octasulfur s8  
1172 C6H4O2 parabenzoquinone pbq  
1173 C4H4N2O2 Uracil uracil  
1174 C6H5OCH3 Anisole anisole  
1175 C6H12O2 Methyl pivalate c598981  
1176 C6H12O2 Hexanoic acid hexa  
1177 C4F4 tetrafluorcyclobutadiene c4f4  
1178 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1179 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1180 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1181 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1182 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1183 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1184 C2F6 hexafluoroethane c2f6  
1185 IF7 Iodine heptafluoride if7  
1186 C6H4F2 metadifluorobenzene mdfb  
1187 C6H4F2 orthodifluorobenzene odfb  
1188 C9H8 Indene indene  
1189 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1190 C9H12 n-propyl benzene prbz  
1191 C(CN)4 tetracyanomethane c5n4  
1192 C5H4N4 purine purine  
1193 C8H7N Indole indole  
1194 C6H5NO2 Nitrobenzene c6h5no2  
1195 C6H5COOH benzoic acid benzo  
1196 CH3COC6H5 acetophenone acph  
1197 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1198 C6H3F3 Benzene trifluoride 123 bzf3a  
1199 C10H16 adamantane adamantane  
1200 C6N4 Tetracyanoethylene tcne  
1201 C6N4- tetracyanoethylene anion tcne-  
1202 C4F6 perfluorobutadiene c4f6  
1203 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1204 C3F8 perfluoropropane c3f8  
1205 Fe(CO)5 Iron pentacarbonyl ipc  
1206 Fe(C5H5)2 ferrocene fecp2  
1207 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1208 C12H8 Acenaphthylene acenaph  
1209 C12H10 biphenyl biphenyl  
1210 C12H10 Heptalene heptalene  
1211 C6F6 hexafluorobenzene c6f6  
1212 C14H10 Anthracene anth  
1213 C14H10 Phenanthrene phenanthrene  
1214 C12H10N2 azobenzene azobenzene  
1215 C16H10 Pyrene pyrene  
1216 C18H12 Tetracene tetracene  
1217 C24H12 Coronene coronene