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List of which calculations are completed at CCSD(T) /6-311G*

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H- Hydrogen atom anion 2SKh
4 H+ Hydrogen atom cation  Kh
5 D2 Deuterium diatomic 1ΣgD∞h
6 H2 Hydrogen diatomic 1ΣgD∞h
7 H2- hydrogen diatomic anion 2Σu+D∞h
8 H2+ Hydrogen cation 2Σg+D∞h
9 HD Deuterium hydride 1ΣgD∞h
10 He Helium atom 1SKh
11 He Helium atom   
12 He+ Helium atom cation 2SKh
13 HeH+ Helium hydride cation 1ΣC∞v
14 He2+ helium diatomic cation 2ΣuD∞h
15 Li Lithium atom 2SKh
16 Li- Lithium atom anion 1SKh
17 Na Sodium atom 2SKh
18 K Potassium atom 2SKh
19 Cu Copper atom 2SKh
20 LiH Lithium Hydride 1ΣC∞v
21 LiH+ lithium hydride cation 2ΣC∞v
22 NaH sodium hydride 1ΣC∞v
23 KH Potassium hydride 1ΣC∞v
24 Be Beryllium atom 1SKh
25 Be+ Beryllium atom cation 2SKh
26 Mg Magnesium atom 1SKh
27 Mg+ Magnesium atom cation 2SKh
28 Ca Calcium atom 1SKh
29 Zn Zinc atom 1SKh
30 BeH beryllium monohydride 2ΣC∞v
31 MgH magnesium monohydride 2ΣC∞v
32 CaH Calcium monohydride 2ΣC∞v
33 ZnH+ Zinc, protonated   
34 BeH2 beryllium dihydride 1ΣgD∞h
35 BeH2+ Beryllium dihydride cation   
36 MgH2 magnesium dihydride 1ΣgD∞h
37 B Boron atom 2PKh
38 B Boron atom 4PKh
39 B+ Boron atom cation 1SKh
40 Al Aluminum atom 2PKh
41 Al- Aluminum atom anion 3PKh
42 Al+ Aluminum atom cation 1SKh
43 Ga Gallium atom 2P 
44 Ga- Gallium atom anion 3POh
45 Ga+ Gallium atom cation 1S 
46 BH Boron monohydride 1ΣC∞v
47 BH Boron monohydride 3ΠC∞v
48 AlH aluminum monohydride 1ΣC∞v
49 ScH+ Scandium monohydride cation 2ΣC∞v
50 GaH Gallium monohydride 1ΣC∞v
51 GaH+ Gallium monohydride cation 2ΣC∞v
52 BH2 boron dihydride 2A1C2v
53 AlH2 aluminum dihydride 2A1C2v
54 BH3 boron trihydride 1A1'D3h
55 BH3+ boron trihydride cation 2B2C2v
56 BH3+ boron trihydride cation  C2v
57 AlH3 aluminum trihydride 1A1'D3h
58 AlH3- aluminum trihydride anion  C3v
59 ScH3 Scandium trihydride 1A1'D3h
60 ScH3 Scandium trihydride 1A1C3v
61 BH4 borohydride 2B2C2v
62 BH4- borohydride anion 1A1Td
63 C Carbon atom 3P0Kh
64 C Carbon atom 3P1Kh
65 C- Carbon atom anion 2DKh
66 C+ Carbon atom cation 2PKh
67 Si Silicon atom 3PKh
68 Si Silicon atom 1SKh
69 Si- Silicon atom anion 4SKh
70 Si+ Silicon atom cation 2PKh
71 Ge Germanium atom 3PKh
72 Ge- Germanium anion 4SKh
73 Ge+ Germanium cation 2PKh
74 CH Methylidyne 2Π1/2C∞v
75 SiH Silylidyne 2ΠC∞v
76 SiH+ silicon monohydride cation 1ΣC∞v
77 GeH germylidene 2ΠC∞v
78 GeH+ Germaniun monohyrdide cation 1ΣC∞v
79 CH2 Methylene 3B1C2v
80 CH2 Methylene 3ΣGD∞h
81 CH2- methylene anion 2B1C2v
82 CH2+ methylene cation 2A1C2v
83 CH2+ methylene cation 2ΠD∞h
84 SiH2 silicon dihydride 1A1C2v
85 SiH2 silicon dihydride 3B1C2v
86 GeH2 germylene 1A1C2v
87 CH3 Methyl radical 2A1D3h
88 SiH3 Silyl radical 2A1C3v
89 SiH3+ Silyl cation 1A1'D3h
90 GeH3 Germyl radical 2A1C3v
91 GeH3+ germyl cation 1A1'D3h
92 CH4 Methane 1A1Td
93 CH4- Methane anion 2A1Td
94 CH4- Methane anion 2A1C3v
95 SiH2D2 silane-d2   
96 SiH4 Silane 1A1Td
97 GeH4 Germane 1A1Td
98 SiH5+ Silane, protonated   
99 N Nitrogen atom 4SKh
100 N+ Nitrogen atom cation 3PKh
101 P Phosphorus atom 4SKh
102 V+ Vanadium atom cation 5DKh
103 As Arsenic atomic 4SKh
104 As- Arsenic anion 3PKh
105 As+ Arsenic cation 3PKh
106 NH Imidogen 3Σ-C∞v
107 PH phosphorus monohydride 3Σ-C∞v
108 AsH Arsenic monohydride 3ΣC∞v
109 ND2 Amidogen-d2 2B1C2v
110 NH2 Amino radical 2B1C2v
111 NH2+ Amino cation 3B1C2v
112 NH2+ Amino cation 1A1C2v
113 PH2 Phosphino radical 2B1C2v
114 AsH2 Arsenic dihydride 2A1C2v
115 ND3 Ammonia-d3 1A1C3v
116 NH3 Ammonia 1A1C3v
117 NH3- Ammonia anion 2A1C3v
118 PH3 Phosphine 1A1C3v
119 PH3+ Phosphine cation 2A1C3v
120 AsH3 Arsine 1A1C3v
121 AsH3+ Arsine cation 2A1C3v
122 AsH4+ Arsonium   
123 NH4 Ammonium radical   
124 NH4+ ammonium cation 1A1Td
125 PH4 Phosphoranyl radical   
126 PH4+ phosphonium cation   
127 O Oxygen atom 3SKh
128 O+ Oxygen atom cation 4SKh
129 S Sulfur atom 3PKh
130 S Sulfur atom   
131 S- Sulfur atom anion 2PKh
132 S+ Sulfur atom cation 4SKh
133 Se Selenium atom 3PKh
134 Se- Selenium atom anion 2PKh
135 Se+ Selenium atom cation 4SKh
136 DO Hydroxyl-d 2ΠC∞v
137 OH Hydroxyl radical 2ΠC∞v
138 OH- hydroxide anion 1ΣC∞v
139 OH+ hydoxyl cation 3ΣC∞v
140 DS Mercapto-d 2ΠC∞v
141 HS Mercapto radical 2ΠC∞v
142 HS- mercapto anion 1ΣC∞v
143 HS+ sulfur monohydride cation 3ΣC∞v
144 CrH Chromium hydride 6ΣC∞v
145 CrH+ Chromium hydride cation 5ΣC∞v
146 HSe Selenium monohydride 2ΠC∞v
147 HSe- selenium monohydride anion 1ΣC∞v
148 HSe+ selenium monohydride cation 3ΣC∞v
149 D2O Deuterium oxide 1A1C2v
150 H2O Water 1A1C2v
151 H2O- water anion 2A1C2v
152 H2O- water anion 2A'Cs
153 H2O+ water cation 2B1C2v
154 HDO Water-d1 1A1C2v
155 D2S Hydrogen sulfide-d2 1A1C2v
156 H2S Hydrogen sulfide 1A1C2v
157 H2S+ Hydrogen sulfide cation 2B1C2v
158 H2Se Hydrogen selenide 1A1C2v
159 H2Se+ Hydrogen selenide cation 2B1C2v
160 H3O+ hydronium cation 1A1C3v
161 H3S+ Sulfonium cation 1A1C3v
162 H3Se+ Hydrogen Selenide, protonated 1A1C3v
163 F Fluorine atom 2PKh
164 F- Fluorine atom anion 1SKh
165 F+ Fluorine atom cation 3SKh
166 F+ Fluorine atom cation 1DKh
167 Cl Chlorine atom 2PKh
168 Cl- Chlorine atom anion 1SKh
169 Cl+ Chlorine atom cation 3PKh
170 Cl+ Chlorine atom cation 1DKh
171 Br Bromine atom 2PKh
172 Br- Bromine atom anion 1SKh
173 Br+ Bromine atom cation 3PKh
174 I Iodine atom 2PKh
175 DF Hydrofluoric acid-d 1ΣC∞v
176 HF Hydrogen fluoride 1ΣC∞v
177 HF- hydrogen fluoride anion 2ΣC∞v
178 HF+ hydrogen fluoride cation 2ΠC∞v
179 DCl Hydrochloric acid-d 1ΣC∞v
180 HCl Hydrogen chloride 1ΣC∞v
181 HCl- hydrogen chloride anion 2ΣC∞v
182 HCl+ hydrogen chloride cation 2ΠC∞v
183 HBr hydrogen bromide 1ΣC∞v
184 HBr- hydrogen bromide anion 2ΣC∞v
185 HBr+ hydrogen bromide cation 2ΠC∞v
186 HI Hydrogen iodide 1ΣC∞v
187 HI+ Hydrogen iodide cation   
188 H2Cl+ dihydrogen monochloride cation 1A1C2v
189 H2Br+ protonated hydrogen bromide 2A1C2v
190 H2I+ Iodonium   
191 Ne Neon atom 1SKh
192 Ne Neon atom   
193 Ne+ Neon atom cation 2PKh
194 Ar Argon atom 1SKh
195 Kr Krypton atom 1SKh
196 Kr+ Krypton cation 2PKh
197 HeLi+ Helium Lithium cation   
198 ArH+ Argon hydride cation 1ΣC∞v
199 KrH+ Protonated Krypton 1ΣC∞v
200 H2Ar H2 Ar dimer 1ΣC∞v
201 Li2 Lithium diatomic 1ΣgD∞v
202 NaLi lithium sodium 1ΣC∞v
203 Na2 Sodium diatomic 1ΣgD∞h
204 Na2- sodium diatomic anion 2ΣuD∞h
205 Na2+ sodium diatomic cation 2ΣgD∞h
206 NaK+ Sodium Potassium diatomic cation 1
207 K2 Potassium diatomic 1ΣgD∞h
208 Cu2 Copper diatomic 1ΣgD∞h
209 Be2 Beryllium diatomic 3ΠgD∞h
210 BeMg Beryllium Magnesium 1ΣC∞v
211 Mg2 Magnesium diatomic 1ΣgD∞h
212 LiAl Lithium Aluminum   
213 NaAl Sodium aluminum 1ΣC∞v
214 BAl Boron Aluminum 3ΣC∞v
215 Al2 Aluminum diatomic 3ΣgD∞h
216 BGa Boron Gallium 3ΣC∞v
217 AlGa Aluminum Gallium 3ΣC∞v
218 AlGa Aluminum Gallium 1ΣC∞v
219 HBBH Diborane(2) 3ΣGD∞h
220 B2H4 Diborane(4) D2d 1A1D2d
221 HBHHBH Diborane(4) C2V 1A1C2v
222 B2H6 Diborane 1AgD2h
223 B2H6+ Diborane cation   
224 CaC Calcium monocarbide   
225 AlC Aluminum carbide 4ΣC∞v
226 BSi Boron silicide 4ΣC∞v
227 BSi Boron silicide 2ΣC∞v
228 C2 Carbon diatomic 1Σg+D∞h
229 Si2 Silicon diatomic 3ΣgD∞h
230 GeC Germanium monocarbide 1ΣC∞v
231 SiGe Silicon Germanium   
232 C2H Ethynyl radical 2ΣC∞v
233 C2H- Ethynyl anion 1ΣC∞v
234 C2H2 Acetylene 1ΣgD∞h
235 C2H2+ acetylene cation 2ΠuD∞h
236 C2H2+ acetylene cation   
237 H2CC- vinylidene anion   
238 HCCH- acetylene anion   
239 HCCH- acetylene anion   
240 Si2H2 disilyne   
241 Si2H2 disilyne   
242 Si2H2 disilyne   
243 Si2H2 disilyne   
244 CH3Li methyl lithium 1A1C3v
245 CuCH3 monomethyl copper 1A1C3v
246 CH2BH methyleneborane 1A1C2v
247 C2H3 vinyl 2A'Cs
248 C2H3- vinyl anion 1A'Cs
249 C2H3+ vinyl cation 1A1C2V bridging H
250 C2H3+ vinyl cation 1A1C2V HCCH2
251 C2H4 Ethylene 1AgD2h
252 C2H4+ Ethylene cation 2B3D2
253 Si2H4 Disilene   
254 Si2H4 Disilene   
255 Si2H4 Disilene   
256 CH3BH2 methylborane 1A'Cs
257 C2H5 Ethyl radical 2A'Cs
258 C2H6 Ethane 1A1gD3d
259 CH3SiH3 methyl silane 1A1C3
260 Si2H6 disilane 1EuD3d
261 LiN Lithium Nitride 3ΣC∞v
262 LiP Lithium monophosphide   
263 LiP Lithium monophosphide   
264 MgN Magnesium Nitride   
265 MgN Magnesium Nitride   
266 BP Boron monophosphide 3ΠC∞v
267 BP Boron monophosphide 1ΣC∞v
268 GaP Gallium monophosphide 3ΣC∞v
269 GaP Gallium monophosphide 1ΣC∞v
270 GaAs Gallium arsenide 3Π 
271 GaAs Gallium arsenide 1Σ 
272 CN Cyano radical 2ΣC∞v
273 CP Carbon monophosphide 2ΣC∞v
274 SiN Silicon nitride 2ΣC∞v
275 SiP Silicon monophosphide 2ΠC∞v
276 N2 Nitrogen diatomic 1ΣgD∞h
277 N2 Nitrogen diatomic   
278 N2- nitrogen diatomic anion 2ΠgD∞h
279 PN Phosphorus mononitride 1ΣC∞v
280 P2 Phosphorus diatomic 1ΣgD∞h
281 HCN Hydrogen cyanide 1ΣC∞v
282 HCN+ hydrogen cyanide cation 2ΠC∞v
283 HNC+ hydrogen isocyanide cation   
284 HCP Phosphaethyne 1ΣC∞v
285 HCP+ Phosphaethyne cation   
286 NNH+ Dinitrogen monohydride cation 1ΣC∞v
287 HPO Hydrogen phosphorus oxide 1A'Cs
288 LiNH2 lithium amide   
289 HBNH Boranimine 1ΣC∞v
290 H2NN Isodiazene   
291 N2H2 (E)-diazene 1AgC2h
292 N2H2+ trans-diazene cation 2AGC2h
293 CH2NH Methanimine 1A'Cs
294 CH2NH+ Methanimine cation   
295 CHNH2 aminomethylene   
296 CHNH2+ Aminocarbene cation   
297 CH2PH Phosphaethene 1A'Cs
298 BH2NH2 Boranamine   
299 CH2NH2+ methyleneamine cation 1A1C2v
300 N2H4 Hydrazine 1AC2
301 P2H4 Diphosphine 1AC2
302 CH3NH2 methyl amine 1A'Cs
303 CH3PH2 Methyl phosphine 1A'Cs
304 SiH3NH2 Silane, amino   
305 N2H5+ protonated hydrazine 1A'Cs
306 BH3PH3 borane phosphine   
307 BH3NH3 borane ammonia 1A1C3v
308 CH3NH3 methyl ammonium radical 2A1C3v
309 CH3PH3+ methyl phosphine, protonated 1A1C3v
310 N2H7+ ammonia ammonium dimer   
311 LiO lithium oxide 2ΣC∞v
312 NaO sodium monoxide 2ΣC∞v
313 LiSe Lithium monoselenide   
314 BeO beryllium oxide 1ΣC∞v
315 BeS beryllium sulfide 1ΣC∞v
316 MgO magnesium oxide 1Σ+C∞v
317 CaO Calcium monoxide 1ΣC∞v
318 MgS magnesium sulfide 1ΣC∞v
319 CaS Calcium sulfide 1ΣC∞v
320 BO boron monoxide 2ΣC∞v
321 BS boron sulfide 2ΣC∞v
322 AlS Aluminum sulfide 2ΣC∞v
323 GaO Gallium monoxide 2ΣC∞v
324 GaS Gallium monosulfide   
325 CO Carbon monoxide 1ΣC∞v
326 CO- carbon monoxide anion 2ΠC∞v
327 CO+ carbon monoxide cation 2ΣC∞v
328 CS carbon monosulfide 1ΣC∞v
329 SiO Silicon monoxide 1ΣC∞v
330 SiS silicon monosulfide 1ΣC∞v
331 CSe Carbon monoselenide 1ΣC∞v
332 GeO Germanium monoxide 1ΣC∞v
333 GeO+ Germanium monoxide cation 2ΣC∞v
334 GeS Germanium monosulfide 1ΣC∞v
335 SiSe Silicon Monoselenide   
336 SiSe+ Silicon Monoselenide cation   
337 GeSe Germanium monoselenide   
338 NO Nitric oxide 2ΠC∞v
339 NO- nitric oxide anion 3ΣC∞v
340 NO+ nitric oxide cation 1ΣC∞v
341 NS Mononitrogen monosulfide 2ΠC∞v
342 PO Phosphorus monoxide 2ΠC∞v
343 PS phosphorus sulfide 2ΣC∞v
344 NSe Nitrogen monoselenide 2ΠC∞v
345 AsS Arsenic monosulfide 2ΠC∞v
346 PSe Phosphorus monoselenide 2ΠC∞v
347 AsSe Arsenic monoselenide 2ΠC∞v
348 O2 Oxygen diatomic 3ΣgD∞h
349 O2- oxygen diatomic anion 2ΠD∞h
350 O2-- dioxygen dianion   
351 SO Sulfur monoxide 3ΣC∞v
352 SO Sulfur monoxide 1ΣC∞v
353 SO+ sulfur monoxide cation 2ΠC∞v
354 S2 Sulfur diatomic 3ΣgD∞h
355 SeO Selenium monoxide 3ΣC∞v
356 SeS Selenium monosulfide 3ΣC∞v
357 Se2 Selenium diatomic 3ΣgD∞h
358 LiOH lithium hydroxide 1ΣC∞v
359 NaOH sodium hydroxide 1ΣC∞v
360 KOH Potassium hydroxide 1ΣC∞v
361 BeOH beryllium monohydroxide 2A'Cs
362 MgOH magnesium hydroxide 2A'Cs
363 CaOH Calcium monohydroxide 2Σ+C∞v
364 HBO Boron hydride oxide 1ΣC∞v
365 HBS hydrogen boron sulfide 1ΣC∞v
366 COH Hydroxymethylidyne   
367 COH+ Carbon Monoxide, protonated 1ΣC∞v
368 HCO Formyl radical 2A'Cs
369 HCO- formyl anion 1A'Cs
370 HCO+ Formyl cation 1ΣC∞v
371 HNO Nitrosyl hydride 1A'Cs
372 HNO+ Nitrosyl hydride cation 2A'Cs
373 NOH Hydroxyimidogen 3A"Cs
374 NOH+ O-protonated nitric oxide 2A'Cs
375 HO2 Hydroperoxy radical 2A"Cs
376 HO2+ Hydroperoxy cation 3A"Cs
377 HSO+ Sulfur Monoxide, S-protonated   
378 SOH Sulfur Hydroxide   
379 SOH+ Sulfur Monoxide, protonated   
380 H2CO Formaldehyde 1A1C2v
381 H2CO- formaldehyde anion 2A'Cs
382 H2CO- formaldehyde anion   
383 H2CO+ formaldehyde cation 2B2C2v
384 H2CS Thioformaldehyde 1A1C2v
385 H2CS- thioformaldehyde anion   
386 H2CS- thioformaldehyde anion   
387 H2CS+ thioformaldehyde cation 2B2C2v
388 H2CSe Selenoformaldehyde   
389 H2NO nitroxide 2B1C2v
390 H2NO nitroxide 2A'Cs
391 H2O2 Hydrogen peroxide 1AC2
392 H2O2 Hydrogen peroxide 1AgC2h
393 H2OO water oxide   
394 HOSH hydrogen thioperoxide   
395 H2S2 Disulfane 1AC2
396 H2S2+ hydrogen disulfide cation 2BgC2h
397 H2Se2 hydrogen diselenide   
398 CH2OH Hydroxymethyl radical 2AC1
399 CH2OH+ hydroxymethyl cation 1A'Cs
400 CH3O- methoxy anion 1A1C3v
401 CH3O+ Methoxy cation 3A1C3v
402 H2CSH+ Thioformaldehyde, protonated 1A'Cs
403 NH2OH hydroxylamine 1A'Cs
404 NH2OH+ Hydroxylamine cation   
405 NH2SH Thiohydroxylamine   
406 NH2SH Thiohydroxylamine   
407 NH3S sulfidoazane   
408 CH3OH Methyl alcohol 1A'Cs
409 CH3OH+ Methyl alcohol cation 2A"Cs
410 CH3SH Methanethiol 1A'Cs
411 CH3SH+ Methanethiol cation 2A"Cs
412 SiH3OH silanol   
413 NH2OH2+ protonated hydroxylamine   
414 NH3OH+ N-protonated hydroxylamine   
415 H2OH2O water dimer 1A'Cs
416 CH3SH2+ protonated methylsulfide 1A'Cs
417 H5O2+ Dihydroxonium ion 1AC2
418 LiF lithium fluoride 1ΣC∞v
419 LiCl lithium chloride 1ΣC∞v
420 NaF sodium fluoride 1ΣC∞v
421 NaF+ sodium fluoride cation 2ΣC∞v
422 NaCl Sodium Chloride 1ΣC∞v
423 CuF Copper monofluoride 1ΣC∞v
424 LiBr Lithium Bromide 1ΣC∞v
425 CuCl Copper monochloride 1ΣC∞v
426 NaBr Sodium Bromide 1ΣC∞v
427 LiI Lithium Iodide   
428 NaI Sodium Iodide   
429 LiF+ lithium fluoride cation 2ΠC∞v
430 BeF Beryllium monofluoride 2ΣC∞v
431 BeCl beryllium monochloride 2ΣC∞v
432 MgF Magnesium monofluoride 2ΣC∞v
433 CaF Calcium monofluoride 2ΣC∞v
434 MgCl magnesium monochloride 2ΣC∞v
435 CaCl calcium monochloride 2ΣC∞v
436 TiCl Titanium Monochloride 4ΣC∞v
437 ZnF Zinc monofluoride 2ΣC∞v
438 CaBr Calcium monobromide   
439 BF Boron monofluoride 1ΣC∞v
440 AlF Aluminum monofluoride 1Σ+C∞v
441 BCl boron monochloride 1ΣC∞v
442 GaF Gallium monofluoride 1ΣC∞v
443 GaF+ Gallium monofluoride cation 2ΣC∞v
444 AlBr Aluminum monobromide   
445 GaCl Gallium monochloride 1ΣGC∞v
446 GaCl+ Gallium monochloride cation 2ΣC∞v
447 GaBr Gallium monobromide   
448 CF Fluoromethylidyne 2ΠC∞v
449 CCl carbon monochloride 2ΠC∞v
450 SiF silicon monofluoride 2ΠC∞v
451 SiF+ silicon monofluoride cation 1ΣC∞v
452 SiCl Clorosilylidyne 2ΠC∞v
453 CBr Carbon monobromide 2ΠC∞v
454 GeF Germanium monofluoride 2ΠC∞v
455 GeF+ Germanium monofluoride cation 1ΣC∞v
456 GeCl Germanium monochloride 2ΠC∞v
457 GeCl+ Germanium monochloride cation   
458 SiBr Silicon monobromide 2ΠC∞v
459 SiBr+ Silicon monobromide cation   
460 NF nitrogen fluoride 3ΣC∞v
461 NCl nitrogen monochloride 3ΣC∞v
462 PF phosphorus monofluoride 3ΣC∞v
463 PCl phosphorus chloride 3ΣC∞v
464 AsCl Arsenic monochloride 3ΣC∞v
465 PBr Phosphorus monobromide   
466 FO Oxygen monofluoride 2ΠC∞v
467 ClO Monochlorine monoxide 2ΠC∞v
468 ClO+ chlorine monoxide cation 3ΣC∞v
469 SF Monosulfur monofluoride 2ΠC∞v
470 SF+ sulfur monofluoride cation 3ΣC∞v
471 SCl sulfur monochloride 2ΠC∞v
472 SCl+ sulfur monochloride cation 3ΣgC∞v
473 BrO Bromine monoxide 2ΠC∞v
474 BrO+ Bromine monoxide cation   
475 SBr Sulfur monobromide radical   
476 SBr+ Sulfur monobromide cation   
477 SeCl Selenium monochloride 2ΠC∞v
478 SeBr Selenium monobromide   
479 BrCl Bromine monochloride 1ΣC∞v
480 F2 Fluorine diatomic 1ΣgD∞h
481 F2- flourine diatomic anion 2ΣuD∞h
482 F2+ flourine diatomic cation 2ΠgD∞h
483 ClF Chlorine monofluoride 1Σ+C∞v
484 ClF+ clorine monofluoride cation 2ΠC∞v
485 Cl2 Chlorine diatomic 1ΣgD∞h
486 Cl2+ chlorine diatomic cation 2ΠgD∞h
487 BrF Bromine monofluoride 1ΣC∞v
488 IF Iodine monofluoride 1ΣC∞v
489 Br2 Bromine diatomic 1ΣgD∞h
490 Br2- bromine diatomic anion 2ΣuD∞h
491 Br2+ bromine diatomic cation 2ΠgD∞h
492 ICl Iodine monochloride 1ΣC∞v
493 IBr Iodine monobromide 1ΣC∞v
494 I2 Iodine diatomic 1ΣgD∞h
495 I2+ Iodine diatomic cation 2ΠgD∞v
496 HCF Fluoromethylene 1A'Cs
497 HCF Fluoromethylene 3A"Cs
498 HSiF fluorosilylene   
499 HSiCl Chlorosilylene   
500 HSiBr monobromosilylene   
501 HOF Hypofluorous acid 1A'Cs
502 DOCl Hypochlorous acid-d 1A'Cs
503 HOCl hypochlorous acid 1A'Cs
504 HOCl+ hypochlorous acid cation   
505 F2H+ Fluorine, protonated 1A'Cs
506 ClFH+ Chlorine fluoride, F-protonated   
507 FClH+ Chlorine fluoride, Cl-protonated   
508 Cl2H+ Chlorine, protonated 1A'Cs
509 CH2Br bromomethyl radical   
510 CH2F fluoromethyl radical 2ACs
511 CH2F+ fluoromethyl cation   
512 CH2Cl+ chloromethyl cation   
513 CH2Cl chloromethyl radical 2A'Cs
514 CH2Cl chloromethyl radical 2B1C2v
515 NH2Cl chloramine 1A'Cs
516 H2F2 Hydrogen fluoride dimer 1AgCs
517 CH3F+ methyl fluoride cation   
518 CH3F Methyl fluoride 1A1C3v
519 CH3Cl Methyl chloride 1A1C3v
520 SiH3F monofluorosilane 1A1C3v
521 SiH3Cl chlorosilane 1A1C1
522 CH3Br methyl bromide 1A1C3v
523 GeH3F monofluorogermane   
524 GeH3Cl monochlorogermane   
525 SiH3Br bromosilane 1A1C3v
526 CH3I methyl iodide 1A1C3v
527 NH3Cl+ protonated monochloroammonia   
528 CH3ClH+ methyl chloride, protonated   
529 NH4Cl Ammonium chloride   
530 LiNe+ Lithium Neon cation   
531 Ar2 Argon diatomic 1SgD∞h
532 Ar2+ Argon diatomic cation 2ΣuD∞h
533 C3 carbon trimer 1ΣgD∞h
534 C3 carbon trimer 1A1C2v
535 SiC2 Silicon dicarbide   
536 C3H4 cyclopropene 1A1C2v
537 CH2CCH2 allene 1A1D2d
538 CH3CCH propyne 1A'C3v
539 C3H5 Allyl radical 2A2C2v
540 C3H6 Cyclopropane 1A1'D3h
541 CH2CHCH3 Propene 1A'Cs
542 C3H7 n-Propyl radical 2A"C1
543 C3H7+ cyclopropane, protonated   
544 CH3CHCH3 Isopropyl radical 2AC2
545 CH3CHCH3+ Isopropyl cation 1AC2
546 C3H8 Propane 1A1C2v
547 Si3H8 trisilane   
548 LiCN lithium cyanide 1ΣC*V LiCN
549 KCN Potassium cyanide 1ΣC∞v
550 KCN Potassium cyanide 1ΣC∞v
551 KCN Potassium cyanide 1A'Cs
552 ZnCN Zinc monocyanide 2ΣC∞v
553 ZnNC Zinc isocyanide 2ΣC∞v
554 AlCN Aluminum monocyanide   
555 AlNC Aluminum isocyanide   
556 CNN Diazocarbene   
557 N3 azide radical 2ΠgD∞h
558 N3+ azide cation 3ΣgD∞h
559 N3+ azide cation 3ΣC∞v
560 HN3 hydrogen azide 1A'Cs
561 HN3+ Hydrazoic acid cation   
562 HNCNH diiminomethane 1AC2
563 HNNNH+ 1,2-Triazadienium   
564 NH2NN+ hydrazoic acid, protonated   
565 CH3CN Acetonitrile 1A1C3v
566 CH3CN- acetonitrile anion 2EC3v
567 CH3CN- acetonitrile anion 2A'Cs
568 CHNCH2 2H-Azirine   
569 CHNHCH 1H-Azirine   
570 H2CCNH Ethenimine   
571 H2CNCH methyleneaminomethylene   
572 HCCNH2 Ethynamine   
573 HCNCH2+ 2H-Azirine cation   
574 HNCNH2+ diiminomethane, protonated 1A'Cs
575 NCNH3+ Cyanamide, protonated 1A1C3v
576 NH2CNH+ cyanamide, cn protonated   
577 NH3CN+ cyanamide, amine protonated   
578 C2H5NH+ Protonated Aziridine 1A1C2v
579 C2H6N+ aziridine, protonated 1A1C2v
580 CH3CH2NH2 Ethylamine   
581 CH3PHCH3 dimethylphosphine 1A'Cs
582 (CH3)2NH2+ dimethylammonium cation 1A1C2v
583 CH3CH2NH3+ ethylamine, protonated 1A'Cs
584 Li2O dilithium oxide 1ΣgD∞h
585 Na2O disodium monoxide 1ΣgLinear
586 Na2O disodium monoxide 1A1C2v
587 Na2S Sodium sulfide   
588 Na2S Sodium sulfide   
589 LiO2 Lithium dioxide   
590 NaO2 Sodium superoxide   
591 NCO isocyanato radical 2ΠC∞v
592 N2O Nitrous oxide 1ΣC∞v
593 N2O- Nitrous oxide anion 2A'Cs
594 CO2 Carbon dioxide 1ΣgD∞h
595 OCS Carbonyl sulfide 1ΣC∞v
596 CS2 Carbon disulfide 1ΣgD∞h
597 GeO2 Germanium dioxide 1ΣgD∞h
598 OCSe Carbonyl selenide 1ΣC∞v
599 SCSe Carbon sulfide selenide   
600 NO2 Nitrogen dioxide 2A1C2v
601 NO2+ Nitrogen dioxide cation 1ΣGD∞h
602 NSO sulfinyl amidogen   
603 SNO Nitrogen oxide sulfide   
604 O3 Ozone 1A1Cs
605 SO2 Sulfur dioxide 1A1C2v
606 SSO Disulfur monoxide 1A'Cs
607 S3 Sulfur trimer 1A1C2v
608 S3 Sulfur trimer   
609 SeO2 Selenium dioxide 1A1C2v
610 SeO2+ Selenium dioxide cation 2A1C2v
611 HCCO ketenyl radical 2ΠC∞v
612 HCCO ketenyl radical 2A"Cs
613 HCNO fulminic acid 1ΣC∞v
614 HNCS Isothiocyanic acid   
615 HSCN thiocyanic acid 1A'Cs
616 HNNO+ Nitrous oxide, N-protonated 1A'Cs
617 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
618 HOCO Hydrocarboxyl radical 1A'cis
619 HOCO Hydrocarboxyl radical 1A'trans
620 O3H+ protonated ozone 1A'Cs
621 O3H+ protonated ozone   
622 SO2H+ protonated sulfur dioxide 1A'Cs
623 C2H2O Oxirene 1A1C2v
624 CH2CO Ketene 1A1C2v
625 CH2CS Thioketene   
626 Be(OH)2 Beryllium hydroxide   
627 Be(OH)2 Beryllium hydroxide   
628 NH2NO Nitrosamide 1AC1
629 H2COO Dioxymethyl radical 2A'Cs
630 H2COO+ dioxymethyl cation 2A'Cs
631 HCOOH Formic acid 1A'Cs
632 HCOOH Formic acid   
633 CH2BOH hydroxy(methylene)borane 1A'Cs
634 BH3CO Borane carbonyl 1A1C3v
635 CH3BO Borane, methyloxo- 1A1C3v
636 CH2COH+ ketene, protonated   
637 CH3CO Acetyl radical 2A'Cs
638 CH2NOH formaldoxime 1A'Cs
639 CH3NO nitrosomethane 1A'Cs
640 CNOH3 1,2-oxaziridine 1AC1
641 HOCHNH hydroxymethylimine 1A'CS H all up
642 CHSNH2 thioformamide   
643 NHCHSH Methanimidothioic acid   
644 C2H4O Ethylene oxide 1A1C2v
645 C2H4O+ ethylene oxide cation   
646 CH3CHO Acetaldehyde 1A'Cs
647 CH3CHO+ acetaldehyde cation   
648 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
649 C2H4S Thiirane 1A1C2v
650 CH2CHSH Ethenethiol   
651 CH3CHS Thioacetaldehyde 1A'C1
652 NH2CHOH+ Formamide, O-protonated   
653 CH3SSH Hydrogen methyl disulfide   
654 HSCH2SH Methanedithiol   
655 C2H4OH+ ethylene oxide, protonated 1A'Cs
656 CH3CHOH 1-hydroxy-ethyl radical 2AC1
657 CH3CHOH+ acetaldehyde, protonated 1A'Cs
658 NH2CH2OH aminomethanol   
659 CH3CH2SH ethanethiol 1A'Cs
660 CH3CH2SH ethanethiol 1AC1
661 CH3SCH3 Dimethyl sulfide 1A1C2v
662 CH3SCH3+ dimethyl sulfide cation   
663 CH3SeCH3 dimethylselenide 1A1C2v
664 CuF2 Copper difluoride 2ΠgD∞h
665 CNF iso cyanogen fluoride 1ΣC∞v
666 BrCN Cyanogen bromide 1ΣC∞v
667 ICN Cyanogen iodide 1ΣC∞v
668 FBO Boron monofluoride monoxide   
669 BeBr2 Beryllium bromide   
670 CaBr2 Calcium dibromide   
671 CaF2 Calcium difluoride 1ΣgC2v
672 BF2 Boron difluoride radical 2A1C2v
673 FNO Nitrosyl fluoride 1A'Cs
674 ClNO Nitrosyl chloride 1A'Cs
675 FNS Thionitrosyl fluoride 1A'Cs
676 FSN Thiazyl fluoride 1A'Cs
677 OPCl Phosphorus oxychloride   
678 CF2 Difluoromethylene 1A1D∞h
679 CFCl chlorofluoromethylene 1A'Cs
680 SiF2 Silicon difluoride 1A1C2v
681 SiF2+ Silicon difluoride cation 2A1C2v
682 GeCl2 Germanium dichloride 1A1C2v
683 CBr2 dibromomethylene 1A1C2v
684 CBr2 dibromomethylene 3B1C2v
685 FOO+ Fluorine dioxide cation   
686 OClO Chlorine dioxide 2B1D∞h
687 OClO- Chlorine dioxide anion 1A'Cs
688 ClSO Sulfur chloride oxide 2A"Cs
689 BrOO Bromine dioxide   
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 HCCBr bromoacetylene 1ΣC∞v
703 CHCl2 dichloromethyl radical 2B1C2v
704 CHCl2 dichloromethyl radical 2A'Cs
705 CHF2 difluoromethyl radical 2ACs
706 CHF2+ difluoromethyl cation   
707 CHFCl Chlorofluoromethyl radical   
708 CHFCl+ Chlorofluoromethyl cation   
709 CHCl2+ dichloromethyl cation   
710 CHBr2 dibromomethyl radical   
711 NHF2 difluoramine   
712 NHCl2 dichloroamine   
713 CH2F2 Methane, difluoro- 1A1C2v
714 SiH2F2 difluorosilane   
715 CH2Cl2 Methylene chloride 1A1C2v
716 CH2BrF Methane, bromofluoro- 1A'Cs
717 CH2BrCl Methane, bromochloro- 1A'Cs
718 CH2FI fluoroiodomethane   
719 CH2Br2 dibromomethane 1A1C2v
720 CH2I2 Diiodomethane   
721 SiH2Cl2 dichlorosilane 1A1C2v
722 CH3MgBr Methyl Magnesium Bromide   
723 CH2CHF Ethene, fluoro- 1A'Cs
724 CH2FOH fluoromethanol   
725 CH2CH2Cl 2-chloroethyl radical 2A'Cs
726 CHClCH3 1-chloroethyl radical 2AC1
727 C2H5Br Ethyl bromide 1A'Cs
728 C2H5I Ethyl iodide   
729 C4 Carbon tetramer 3ΣgD∞h
730 C4 Carbon tetramer   
731 C4H2+ diacetlyene cation 2ΠgD∞h
732 C4H4 Tetrahedrane   
733 CH2CHCH2CH3 1-Butene 1AC1
734 CH3CH2CH2CH3 Butane 1AgAnti
735 CH3CH2CH2CH3 Butane 1AGauche
736 C2N2 Cyanogen 1ΣgD∞h
737 As4 Arsenic tetramer 1A1Td
738 HCCCN+ Cyanoacetylene cation 2ΠC∞v
739 H2CNCN cyanamide, methylene   
740 HNCCNH Ethenediimine   
741 CH3N3 methyl azide 1A'Cs
742 NH2CCNH2 Diaminoacetylene 1AC2
743 NH2CH2CN Aminoacetonitrile 1A'Cs
744 CH3NHN2+ methyl azide, protonated 1AC1
745 C2H5CN ethyl cyanide 1A'Cs
746 C4H6 Bicyclo[1.1.0]butane 1A1C2v
747 H2NCHCHNH2 diaminoethylene   
748 CH7N3 triaminomethane   
749 C4H8 cyclobutane 1A1D2d
750 NH2CH2CH2CH3 1-Propanamine 1A'Cs
751 N(SiH3)3 trisilylamine   
752 As(CH3)3 trimethyl arsine 1A1C3v
753 (CH3)3NH+ protonated trimethyl amine   
754 C3H7NH3+ n-propylamine, protonated 1A'Cs
755 Na2O2 disodium dioxide   
756 K2O2 dipotassium dioxide   
757 C3O Tricarbon monoxide 1ΣC∞v
758 ONNO NO dimer 1Agtrans C2H
759 ONNO NO dimer 1A1cis C2V
760 S2N2 Disulfur dinitride 1AGD2h
761 CS3-- Carbonotrithioate   
762 NO3- nitrate anion 1A1'D3h
763 SO3 Sulfur trioxide 1A1'D3h
764 SO3-- Sulfate dianion   
765 S4 Sulfur tetramer   
766 S4 Sulfur tetramer   
767 S4 Sulfur tetramer   
768 HNO3 Nitric acid 1A'Cs
769 NH2NO2 nitramide 1A'Cs
770 C3H2O Propadienal   
771 C3H2O Propadienal   
772 C2H2O2 Ethanedial 1AgC2h
773 CH3NCO methylisocyante   
774 HOCH2CN cyanomethanol   
775 CH3NO2 Methane, nitro- 1A'Cs
776 H3AlO3 Aluminum hydroxide   
777 CH2CHCHO Acrolein 1A'Cs
778 CH2CHCHO Acrolein   
779 NH2CONH2 Urea 1A1C2v
780 NH2COOH2+ Carbamic acid, O-protonated 1AC1
781 NH3COOH+ protonated Carbamic acid 1A'Cs
782 CH3COCH2 Acetonyl radical 2A"Cs
783 CH2C(OH)NH2 1-amino vinyl alchohol   
784 CH3C(OH)=NH Ethaninidic acid   
785 CH3CHNOH Acetaldoxime 1A'CS cis
786 HCONHCH3 N-methylformamide 1A'CS cis
787 HCONHCH3 N-methylformamide 1A'CS trans
788 CH3CSNH2 Ethanethioamide   
789 CH5N2O+ urea, N-protonated 1A'Cs
790 H2NCOHNH2+ urea, protonated 1A'Cs
791 C3H5OH Cyclopropanol 1AC1
792 C3H6O Oxetane 1A1C2v
793 C3H6O Oxetane 1A'Cs
794 CH3CH2CHO Propanal 1A'Cs
795 C3H7OH 1-Propanol   
796 Li2F2 Lithium fluoride dimer   
797 FNO2 Nitryl fluoride 1A1C2v
798 FONO Nitrosyl hypofluorite 1A'CS cis
799 ClONO chlorine nitrite 1A'CS cis
800 CF2O Carbonic difluoride 1A1C2v
801 CF2O+ Carbonic difluoride cation   
802 BF3 Borane, trifluoro- 1A'D3h
803 BF3+ boron trifluoride cation   
804 AlF3 Aluminum trifluoride 1A1'D3h
805 BClF2 Chlorodifluoroborane   
806 BCl3 Borane, trichloro- 1A1'D3h
807 BCl3+ Boron Trichloride cation   
808 GaF3 Gallium trifluoride 1A1'D3h
809 GaCl3 Gallium trichloride 1A1'D3h
810 CF2Cl difluorochloromethyl radical   
811 SiF3 Silicon trifluoride radical 2A1C3v
812 SiF3+ Silicon trifluoride cation 1A1'D3h
813 CFCl2 dichlorofluoromethyl radical   
814 CBr3 tribromomethyl radical   
815 ClO2F Chloryl fluoride 1A'Cs
816 ClOOCl Dichlorine dioxide 1AC2
817 SOCl2 thionyl chloride 1A'Cs
818 SSCl2 Thiothionyl chloride   
819 NF3 Nitrogen trifluoride 1A1C3v
820 NCl3 nitrogen trichloride 1A1C3v
821 AsCl3 Arsenous trichloride 1A1C3v
822 NBr3 Nitrogen Tribromide 1A1C3v
823 NI3 Nitrogen triiodide   
824 PI3 Phosphorus triiodide   
825 ClF3 Chlorine trifluoride 1A1'D3h
826 ClF3 Chlorine trifluoride 1A1C2v
827 HClO3 Chloric Acid 1A'Cs
828 CHF3 Methane, trifluoro- 1A1C3v
829 SiHF3 trifluorosilane   
830 CHBrF2 Methane, bromodifluoro- 1A'Cs
831 CHFClBr fluorochlorobromomethane 1AC1
832 CHBrCl2 Methane, bromodichloro- 1A'Cs
833 CHBr2F dibromofluoromethane   
834 NF3H+ protonated nitrogen trifluoride 1A1C3v
835 AsF3H+ Arsenic trifluoride, protonated   
836 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
837 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
838 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
839 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
840 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
841 C2H4F2 1,2-difluoroethane 1AgC2H anti
842 C2H4F2 1,2-difluoroethane 1AC2 gauche
843 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
844 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
845 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
846 CH2BrCH2Cl 1-bromo-2-chloroethane   
847 CH2BrCH2Cl 1-bromo-2-chloroethane   
848 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
849 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
850 CH2CHCH2F Allyl Fluoride   
851 CH2CHCH2F Allyl Fluoride   
852 CH3CHCHF trans-1-Fluoro-1-propene   
853 CH2FCH2OH 2-fluoroethanol   
854 CH2ClCH2OH 2-Chloroethanol 1A'Cs
855 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
856 CH2FCH2CH3 1-Fluoropropane 1A'Cs
857 CH2FCH2CH3 1-Fluoropropane   
858 CH3CHFCH3 2-Fluoropropane 1A'Cs
859 B5H9 pentaborane9   
860 C5H4 pentatetraene   
861 C5H6 Propellane 1A1D3h
862 C5H8 Bicyclo[1.1.1]pentane   
863 C3H4N2 1H-Imidazole 1A'Cs
864 C3H4N2 2H-Imidazole 1A1C2v
865 C3H4N2 4H-Imidazole 1A'Cs
866 C4H5N Pyrrole 1A1C2v
867 C4H6N+ pyrrole, alpha-protonated 1A'Cs
868 C4H6N+ pyrrole, beta-protonated 1A'Cs
869 C4H6N+ pyrrole, protonated 1A1C2v
870 NH(C2H5)2 diethylamine 1A'Cs
871 C3O2 Carbon suboxide 1ΣGD∞h
872 B2O3 diboron trioxide   
873 B2O3 diboron trioxide   
874 MgCO3 Magnesium Carbonate 1A1C2v
875 BeCO3 Beryllium Carbonate 1A1C2v
876 CaCO3 Calcium Carbonate 1A1C2v
877 CHOOCHO diformyl ether   
878 C3H3NS Thiazole   
879 CH3COCCH 3-butyn-2-one 1A'Cs
880 C4H4Se selenophene   
881 CH3OCH2CN Methoxyacetonitrile 1A'Cs
882 CH3OCH2CN Methoxyacetonitrile 1AC1
883 CH3SO2NH2 methanesulfonamide 1A'Cs
884 CH2CHSCHCH2 Divinyl sulfide   
885 HCOOC2H5 Ethyl formate 1A'Cs
886 C2H6O2S Dimethyl sulfone 1A1C2v
887 C4H8S Thiophene, tetrahydro- 1AC1
888 C4H10O Methyl propyl ether 1AC1
889 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
890 C4H9SH 1-Butanethiol   
891 CF3Cl Methane, chlorotrifluoro- 1A1C3v
892 CF2Cl2 difluorodichloromethane 1A1C2v
893 CF3Br Bromotrifluoromethane 1A1C3v
894 CBrCl2F bromodichlorofluoromethane   
895 CBr2ClF dibromochlorofluoromethane   
896 CBr2Cl2 dibromodichloromethane 1A1C2v
897 CCl3I trichloroiodomethane   
898 CFBr3 fluorotribromomethane 1A1C3v
899 CBr3Cl tribromochloromethane 1A1C3v
900 CBr4 Carbon tetrabromide 1A1Td
901 SiBr4 Silicon tetrabromide 1A1Td
902 GeBr4 Germanium tetrabromide   
903 ClOF3 Chlorine trifluoride oxide 1A'Cs
904 SF4 Sulfur tetrafluoride 1A1C2v
905 SeF4 Selenium tetrafluoride   
906 SCl4 Sulfur tetrachloride   
907 CH2ClCCCl 1,3-dichloropropyne   
908 CHCl2CCH 3,3-dichloropropyne   
909 CHCl2CHO dichloroacetaldehyde   
910 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
911 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
912 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
913 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
914 CH2FCH2CH2F 1,3-difluoropropane   
915 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
916 C2H2N2O Furazan   
917 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
918 NH3BF3 Amminetrifluoroboron 1A1C3v
919 C6H6 Prismane   
920 C6H6 1,2,4,5-Hexatetraene 1AgC2h
921 C6H6 Benzvalene 1A1C2v
922 C6H6 Dewar Benzene   
923 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
924 C6H7+ benzene, protonated 1A1C2v
925 C6H10 3-Hexyne 1A1C2v
926 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
927 C5H6N+ Pyridinium 1A1C2v
928 MgSO4 Magnesium Sulfate 1A1C2v
929 N2O4 Dinitrogen tetroxide 1AgD2d
930 C3H2O3 vinylene carbonate   
931 C2H2O4 Oxalic Acid 1AgC2h
932 C2H4N2S2 Ethanedithioamide 1AGC2h
933 C2H5NO3 Nitric acid, ethyl ester 1A'C1
934 C5H6O 2H-Pyran   
935 C5H6O Pentadienal   
936 C4H6O2 γ–Butyrolactone 1AC1
937 C3H6O3 1,3,5-Trioxane 1A1C1
938 C3H6S3 1,3,5-Trithiane 1A1C3v
939 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
940 C5H10O 3-Pentanone 1A1C2v
941 C4F2 difluorobutadiyne   
942 ClCOClCO Oxalyl chloride 1AGC2h
943 B2F4 Diboron tetrafluoride 1AGD2h
944 C2ClF3 Ethene, chlorotrifluoro-   
945 CF2CCl2 difluorodichloroethylene 1A1C2v
946 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
947 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
948 C2Br4 tetrabromoethene   
949 SiF5- silicon pentafluoride anion   
950 SOF4 Sulfur tetrafluoride oxide 1A1C2v
951 PF5 Phosphorus pentafluoride 1A1'D3h
952 SF5+ pentafluoro sulfur cation 1A1'D3h
953 IF5 pentafluoroiodine   
954 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
955 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
956 CH2ClCCl3 1,1,1,2-tetrachloroethane   
957 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
958 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
959 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
960 C4H3ClO Furan, 2-chloro 1A'Cs
961 C4H3ClO Furan,3-chloro 1A'Cs
962 C7H7 cycloheptatrienyl radical 2A2C2v
963 C7H7+ cycloheptatrienyl cation 1A1'D7h
964 CH(CN)3 tricyanomethane   
965 HN=C=C(CN)2 Dicyanoketenimine   
966 C7H10 Norbornene   
967 F2CCCF2 tetrafluoroallene   
968 CF3COO- trifluoro acetate anion 1A'Cs
969 CF3COF trifluoroacetyl fluoride 1A'Cs
970 PF6 Hexafluorophosphate neutral 2B2C2v
971 SF6 Sulfur Hexafluoride 1A1GOh
972 CF3CHF2 pentafluoroethane 1A'Cs
973 S4N4 Tetrasulfur tetranitride   
974 C6H5CHO benzaldehyde 1A'Cs
975 C2Cl6 hexachloroethane 1A1gD3d
976 C6H4Cl2 1,4-dichlorobenzene   
977 C6H5NO nitrosobenzene 1A'Cs
978 C9H20 Nonane 1A1C2v
979 C3F6 hexafluoropropene   
980 C8H18O 1-Octanol   
981 C10H8 naphthalene 1AgD2h
982 C10H10 bullvalene   
983 S2F10 disulphur decafluoride   

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H3+ hydrogen trimer cation h3+  
4 He- Helium atom anion he-  
5 HeH Helium hydride heh  
6 Li+ Lithium atom cation li+  
7 Na- Sodium atom anion na-  
8 Na+ Sodium atom cation na+  
9 K- Potassium atom anion k-  
10 K+ Potassium atom cation k+  
11 Cu- Copper atom anion cu-  
12 Cu+ Copper atom cation cu+  
13 LiH- lithium hydride anion lih-  
14 NaH- sodium hydride anion nah-  
15 NaH+ sodium hydride cation nah+  
16 KH+ Potassium hydrogen cation kh+  
17 CuH Copper monohydride cuh  
18 Be- Beryllium atom anion be-  
19 Mg- Magnesium atom anion mg-  
20 Ca- Calcium atom anion ca-  
21 Ca+ Calcium atom cation ca+  
22 Zn- Zinc atom anion zn-  
23 Zn+ Zinc atom cation zn+  
24 BeH- berylium monohydride anion beh-  
25 BeH+ beryllium monohydride cation beh+  
26 MgH- magnesium monohydride anion mgh-  
27 MgH+ magnesium monohydride cation mgh+  
28 CaH+ Calcium monohydride cation cah+  
29 TiH Titanium monohydride tih  
30 ZnH Zinc monohydride znh  
31 CaH2 Calcium Hydride cah2  
32 ZnH2 Zinc hydride znh2  
33 B- Boron atom anion b-  
34 Sc Scandium atom sc  
35 Sc+ Scandium cation sc+  
36 BH- boron monohydride anion bh-  
37 BH+ boron monohydride cation bh+  
38 AlH- aluminum monohydride anion alh-  
39 AlH+ aluminum monohydride cation alh+  
40 ScH Scandium monohydride sch  
41 BH2- boron dihydride anion bh2-  
42 BH2+ Boron dihydride cation bh2+  
43 AlH2- aluminum dihydride anion alh2-  
44 AlH2+ aluminum dihydride cation alh2+  
45 BH3- boron trihydride anion bh3-  
46 AlH3+ aluminum trihydride cation alh3+  
47 GaH3 Gallium trihydride gah3  
48 AlH4- Aluminum tetrahydride anion alh4-  
49 C- Carbon atom anion c-  
50 Ti Titanium atom ti  
51 Ti- Titanium atom anion ti-  
52 Ti+ Titanium atom cation ti+  
53 Sn Tin atom sn  
54 Sn+ Tin cation sn+  
55 CH- methylidyne anion ch-  
56 CH+ Methylidyne cation ch+  
57 SiH- silicon monohydride anion sih-  
58 SiH2- silicon dihydride anion sih2-  
59 SiH2+ silicon dihydride cation sih2+  
60 GeH2- germylene anion geh2-  
61 CH3- methyl anion ch3-  
62 CH3+ methyl cation ch3+  
63 SiH3- Silyl anion sih3-  
64 CD4 methane-d4 cd4  
65 CH2D2 methane-d2 ch2d2  
66 CH3D methane-d ch3d  
67 CH4+ Methane cation ch4+  
68 CHD3 methane-d3 chd3  
69 SiH4+ Silane cation sih4+  
70 SnH4 Stannane snh4  
71 N- Nitrogen atom anion n-  
72 P- Phosphorus atom anion p-  
73 P+ Phosphorus atom cation p+  
74 V Vanadium atom v  
75 Sb Antimony atom sb  
76 NH- Imidogen anion nh-  
77 NH+ imidogen cation nh+  
78 PH- phosphorus monohydride anion ph-  
79 PH+ phosphorus monohydride cation ph+  
80 AsH+ Arsenic monohydride cation ash+  
81 SbH Antimony monohydride sbh  
82 PH2- Phosphino anion ph2-  
83 PH2+ Phosphino cation ph2+  
84 AsH2+ Arsenic dihydride cation ash2+  
85 NH3+ ammonia cation nh3+  
86 SbH3 Stibine sbh3  
87 O- Oxygen atom anion o-  
88 Cr Chromium atom cr  
89 Te Tellurium atom te  
90 Te+ Tellurium atom cation te+  
91 TeH Telluryl radical teh  
92 H2S- Hydrogen sulfide anion h2s-  
93 H2Te Hydrogen Telluride h2te  
94 Mn Manganese atom mn  
95 I- Iodine atom anion iodine-  
96 I+ Iodine atom cation iodine+  
97 H2F+ dihydrogen fluoride cation h2f+  
98 Ne- Neon atom anion ne-  
99 Ar- Argon atom anion ar-  
100 Ar+ Argon atom cation ar+  
101 Fe Iron atom fe  
102 Xe Xenon atom xe  
103 NeH neon hydrogen neh  
104 NeH+ neon hydrogen cation neh+  
105 XeH+ Xenon, protonated xeh+  
106 Co Cobalt atom cobalt  
107 Ni Nickel atom ni  
108 Li2- lithium diatomic anion li2-  
109 Li2+ lithium diatomic cation li2+  
110 NaLi- lithium sodium anion lina-  
111 NaLi+ lithium sodium cation lina+  
112 LiK Lithium Potassium lik  
113 NaK Sodium Potassium nak  
114 LiBe Lithium Beryllium libe  
115 LiMg Lithium magnesium limg  
116 NaBe Sodium Beryllium nabe  
117 NaMg Sodium Magnesium namg  
118 Be2 Beryllium diatomic be2  
119 Be2- Beryllium diatomic anion be2-  
120 Be2+ Beryllium diatomic cation be2+  
121 Mg2- magnesium diatomic anion mg2-  
122 Mg2+ magnesium diatomic cation mg2+  
123 Ca2 Calcium diatomic ca2  
124 LiB Lithium boride lib  
125 BeB Beryllium monoboride beb  
126 B2 Boron diatomic b2  
127 B2- Boron diatomic anion b2-  
128 B2+ Boron diatomic cation b2+  
129 Al2- aluminum diatomic anion al2-  
130 Al2+ aluminum diatomic cation al2+  
131 Ga2 Gallium diatomic ga2  
132 LiBH4 Lithium borohydride libh4  
133 Al2H6 dialane al2h6  
134 Ga2H6 digallane ga2h6  
135 LiC Lithium Carbide lic  
136 BeC Beryllium Carbide bec  
137 BC boron monocarbide bc  
138 BC- boron monocarbide anion bc-  
139 BC+ boron monocarbide cation bc+  
140 C2- carbon diatomic anion c2-  
141 C2+ carbon diatomic cation c2+  
142 SiC- silicon monocarbide anion sic-  
143 SiC+ silicon monocarbide cation sic+  
144 Si2- silcon diatomic anion si2-  
145 Si2+ silcon diatomic cation si2+  
146 Ge2 Germanium diatomic ge2  
147 C2H+ Ethynyl cation c2h+  
148 ZnCH2 Zinc methylene znch2  
149 CCH2 vinylidene vinylidene  
150 ZnCH3 Zinc monomethyl znch3  
151 C2H4- Ethylene anion c2h4-  
152 CH3CH methylmethylene ch3ch  
153 CH2SiH2 silaethylene ch2sih2  
154 C2H5- Ethyl anion c2h5-  
155 C2H5+ Ethyl cation c2h5+  
156 C2H6+ ethane cation c2h6+  
157 GeH3CH3 methyl germane geh3ch3  
158 C2H7+ Ethane, protonated c2h7+  
159 LiN+ Lithium Nitride cation lin+  
160 BeN Beryllium mononitride ben  
161 BeN- Beryllium mononitride anion ben-  
162 BeN+ Beryllium mononitride cation ben+  
163 BN- boron nitride anion bn-  
164 AlN- aluminum mononitride anion aln-  
165 AlN+ aluminum mononitride cation aln+  
166 AlP Aluminum monophosphide alp  
167 GaN Gallium mononitride gan  
168 BN boron nitride bn  
169 BN+ boron nitride cation bn+  
170 AlN Aluminum nitride aln  
171 CN- cyanide anion cn-  
172 CN+ Cyano cation cn+  
173 CP- carbon monophosphide anion cp-  
174 CP+ carbon monophosphide cation cp+  
175 SiN- silicon mononitride anion sin-  
176 SiN+ silicon mononitride cation sin+  
177 SiP- Silicon monophosphide anion sip-  
178 SiP+ Silicon monophosphide cation sip+  
179 TiN Titanium mononitride tin  
180 N2+ diatomic nitrogen cation n2+  
181 PN- phosphorus nitride anion pn-  
182 PN+ phosphorus nitride cation pn+  
183 P2- phosphorus diatomic anion p2-  
184 P2+ phosphorus diatomic cation p2+  
185 AsN Arsenic mononitride asn  
186 AsP Arsenic monophosphide asp  
187 SbN Antimony nitride sbn  
188 As2 Arsenic diatomic as2  
189 HNB hydrogen nitrogen boron hnb  
190 HNC hydrogen isocyanide hnc  
191 HCN- Hydrogen cyanide anion hcn-  
192 NNH Dinitrogen monohydride nnh  
193 HPO+ Hydrogen phosphorus oxide cation hpo+  
194 CNH2 Aminomethylidyne radical cnh2  
195 CNH2+ N-protonated hydrogen isocyanide cnh2+  
196 H2CN Dihydrogen cyanide radical h2cn  
197 H2CN+ hydrocyanonium cation h2cn+  
198 HCNH methyleneazane hcnh  
199 HCNH+ N-protonated HCN hcnh+  
200 N2H2 (Z)-Diazene n2h2z  
201 N2H4+ hydrazine cation n2h4+  
202 CH3NH2+ methyl amine cation ch3nh2+  
203 CH3NH3+ protonated methylamine ch3nh3+  
204 NH3NH3 Ammonia Dimer nh3nh3  
205 LiO- lithium oxide anion lio-  
206 LiO+ lithium oxide cation lio+  
207 LiS Lithium monosulfide lis  
208 LiS+ Lithium sulfide cation lis+  
209 NaO- sodium oxide anion nao-  
210 NaO+ sodium oxide cation nao+  
211 KO Potassium monoxide ko  
212 KO+ Potassium monoxide cation ko+  
213 NaS Sodium sulfide nas  
214 CuO Copper Monoxide cuo  
215 BeO- Beryllium monoxide anion beo-  
216 BeO+ Beryllium monoxide cation beo+  
217 MgO- magnesium oxide anion mgo-  
218 MgO+ magnesium oxide cation mgo+  
219 MgS- magnesium sulfide anion mgs-  
220 MgS+ magnesium sulfide cation mgs+  
221 ZnO zinc monoxide zno  
222 ZnS Zinc sulfide zns  
223 BeS- Beryllium monosulfide anion bes-  
224 BeS+ Beryllium monosulfide cation bes+  
225 BO- boron monoxide anion bo-  
226 AlO Aluminum monoxide alo  
227 AlO- Aluminum monoxide anion alo-  
228 AlO+ aluminum monoxide cation alo+  
229 BS- boron monosulfide anion bs-  
230 BS+ boron monosulfide cation bs+  
231 AlS- aluminum monosulfide anion als-  
232 AlS+ aluminum monosulfide cation als+  
233 ScO Scandium monoxide sco  
234 BO+ boron monoxide cation bo+  
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 TiO Titanium monoxide tio  
242 CSe- Carbon monoselenide anion cse-  
243 CSe+ Carbon monoselenide cation cse+  
244 NS- nitrogen sulfide anion ns-  
245 NS+ nitrogen sulfide cation ns+  
246 PO- phosphorus monoxide anion po-  
247 PO+ phosphorus monoxide cation po+  
248 PS- phosphorus monosulfide anion ps-  
249 PS+ phosphorus monosulfide cation ps+  
250 VO Vanadium monoxide vo  
251 AsO Arsenic monoxide aso  
252 O2+ diatomic oxygen cation o2+  
253 SO- sulfur monoxide anion so-  
254 S2- sulfur diatomic anion s2-  
255 S2+ sulfur diatomic cation s2+  
256 SeO- selenium monoxide anion seo-  
257 SeO+ selenium monoxide cation seo+  
258 SeS- selenium monosulfide anion ses-  
259 SeS+ selenium monosulfide cation ses+  
260 TeO Tellurium monoxide teo  
261 Se2- selenium diatomic anion se2-  
262 Se2+ selenium diatomic cation se2+  
263 Te2 Tellurium diatomic te2  
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 HNS- Sulfur imide anion hns-  
270 HO2- Hydroperoxy anion ho2-  
271 HS2 Thiosulfeno radical hs2  
272 HOCH hydroxycarbene hoch  
273 H2O2+ Hydrogen peroxide cation h2o2+  
274 CH3O Methoxy radical ch3o  
275 CH3S thiomethoxy ch3s  
276 NH3O Ammonia Oxide nh3o  
277 H2POH Phosphinous acid h2poh  
278 H3PO Phosphine oxide h3po  
279 H3O2+ hydrogen peroxide, protonated h3o2+  
280 CH3OH- Methyl alcohol anion ch3oh-  
281 CH3SeH Methane selenol ch3seh  
282 CH3OH2+ Methanol, protonated ch3oh2+  
283 H2ONH3 Water Ammonia Dimer h2onh3  
284 LiCl- lithium chloride anion licl-  
285 LiCl+ lithium chloride cation licl+  
286 NaF- sodium fluoride anion naf-  
287 KF Potassium Fluoride kf  
288 NaCl- sodium chloride anion nacl-  
289 NaCl+ sodium chloride cation nacl+  
290 KCl Potassium Chloride kcl  
291 LiBr- lithium bromide anion libr-  
292 LiBr+ lithium bromide cation libr+  
293 NaBr- sodium bromide anion nabr-  
294 NaBr+ sodium bromide cation nabr+  
295 KBr Potassium Bromide kbr  
296 KI Potassium Iodide ki  
297 LiF- lithium fluoride anion lif-  
298 BeF- Beryllium monofluoride anion bef-  
299 BeF+ Beryllium monofluoride cation bef+  
300 MgF- magnesium fluoride anion mgf-  
301 MgF+ magnesium fluoride cation mgf+  
302 MgCl- magnesium monochloride anion mgcl-  
303 MgCl+ magnesium monochloride cation mgcl+  
304 ZnF- Zinc monofluoride anion znf-  
305 ZnF+ Zinc monofluoride cation znf+  
306 ZnCl Zinc monochloride zncl  
307 BeCl- beryllium monochloride anion becl-  
308 BeCl+ beryllium monochloride cation becl+  
309 BF- Boron monofluoride anion bf-  
310 BF+ Boron monofluoride cation bf+  
311 AlF- Aluminum monofluoride anion alf-  
312 AlF+ Aluminum monofluoride cation alf+  
313 BCl- boron monochloride anion bcl-  
314 BCl+ boron monochloride cation bcl+  
315 AlCl Aluminum monochloride alcl  
316 AlCl- aluminum monochloride anion alcl-  
317 AlCl+ aluminum monochloride cation alcl+  
318 ScF Scandium monofluoride scf  
319 BBr Boron monobromide bbr  
320 AlI Aluminum monoiodide ali  
321 CF- carbon monofluoride anion cf-  
322 CF+ carbon monofluoride cation cf+  
323 CCl- carbon monochloride anion ccl-  
324 CCl+ carbon monochloride cation ccl+  
325 SiF- silicon monofluoride anion sif-  
326 SiCl- silicon monochloride anion sicl-  
327 SiCl+ silicon monochloride cation sicl+  
328 NF- nitrogen monofluorine anion nf-  
329 NF+ nitrogen monofluoirde cation nf+  
330 NCl- nitrogen monochloride anion ncl-  
331 NCl+ nitrogen monochloride cation ncl+  
332 PF- phosphorus monofluoride anion pf-  
333 PF+ phosphorus monofluoride cation pf+  
334 PCl- phosphorus monochloride anion pcl-  
335 PCl+ phosphorus monochloride cation pcl+  
336 AsF Arsenic monofluoride asf  
337 NBr nitrogen monobromide nbr  
338 SbF Antimony monofluoride sbf  
339 SbCl Antimony monochloride sbcl  
340 FO- flourine oxide anion fo-  
341 FO+ fluorine monoxide cation fo+  
342 ClO- chlorine monoxide anion clo-  
343 SF- sulfur monofluoride anion sf-  
344 SCl- sulfur monochloride anion scl-  
345 BrO- Bromine monoxide anion bro-  
346 SeF Selenium monofluoride sef  
347 IO Iodine monoxide io  
348 ClF- clorine monofluoride anion clf-  
349 Cl2- chlorine diatomic anion cl2-  
350 BrF- bromine fluoride anion brf-  
351 BrF+ bromine fluoride cation brf+  
352 BrCl- bromine chloride anion brcl-  
353 BrCl+ bromine chloride cation brcl+  
354 HCCl Chloromethylene hccl  
355 CHBr bromomethylene chbr  
356 HOBr Hypobromous acid hobr  
357 HOBr+ Hypobromous acid cation hobr+  
358 HOI Hypoiodous acid hoi  
359 FHF Hydrogen difluoride fhf  
360 FHF- Hydrogen difluoride anion fhf-  
361 NH2F monofluoroamine nh2f  
362 CD3F methylfluoride-d3 cd3f  
363 CD3Cl methyl chloride d3 cd3cl  
364 CH3Cl+ Methyl chloride cation ch3cl+  
365 SiH3I Silyl Iodide sih3i  
366 Ne2 Neon diatomic ne2  
367 Ne2+ Neon diatomic cation ne2+  
368 Li3 Lithium trimer li3  
369 Li3+ Lithium trimer cation li3+  
370 C3+ carbon trimer cation c3+  
371 C3H3 cyclopropenyl radical cpr  
372 C3H3 Propargyl radical propargyl  
373 C3H3- Propargyl anion c3h3-  
374 C3H3+ cyclopropenyl cation cpr+  
375 C3H3+ Propargyl cation c3h3+  
376 C3H5+ Allyl cation allyl+  
377 CH3CHCH 1-propenyl radical ch3chch  
378 Zn(CH3)2 dimethyl zinc dmz  
379 SiH2(CH3)2 dimethylsilane dms  
380 NaCN Sodium Cyanide nacn  
381 CuCN Copper cyanide cucn  
382 CN2 3H-Diazirin-3-ylidene cn2  
383 NCN Cyanoimidogen ncn  
384 N3- azide anion n3-  
385 HCCN cyanomethylene hccn  
386 HCNN diazomethyl radical hcnn  
387 CH2N2 diazirine ch2n2  
388 CH2NN diazomethane ch2nn  
389 NH2CN cyanamide cyanamide  
390 CH3CN+ Acetonitrile cation ch3cn+  
391 CH3NC methyl isocyanide ch3nc  
392 CH2CHNH vinylazine ch2chnh  
393 CH3CHN methylmethaniminyl radical ch3chn  
394 NHCHNH2 aminomethanimine cn2h4  
395 C2H5N Aziridine c2h5n  
396 CH2CHNH2 aminoethene aminoethene  
397 CH2NCH3 N-methylmethanimine nmm  
398 CH3CHNH ethanimine ethanimine  
399 NH2BHNH2 diaminoborane nh2bhnh2  
400 NH2CH2NH2 diaminomethane nh2ch2nh2  
401 CH3NHCH3 Dimethylamine ch3nhch3  
402 NH2CH2NH3+ diaminoethane, protonated pdam  
403 Li2O+ dilithium oxide cation li2o+  
404 Li2S dilithium sulfide li2s  
405 CCO Dicarbon monoxide cco  
406 CNO- fulminate cno-  
407 NCO- cyanate nco-  
408 SCN thiocyanato radical scn  
409 SCN- thiocyanide anion scn-  
410 BO2 Boron dioxide bo2  
411 BO2- Boron dioxide anion bo2-  
412 BO2+ Boron dioxide cation bo2+  
413 N2O+ Nitrous oxide cation n2o+  
414 NNS Nitrogen sulfide nns  
415 PPO Phosphorus oxide phosphide ppo  
416 CO2- Carbon dioxide anion co2-  
417 CO2+ Carbon dioxide cation co2+  
418 OCS+ Carbonyl sulfide cation cos+  
419 SiO2 silicon dioxide sio2  
420 CS2- Carbon disulfide anion cs2-  
421 CS2+ Carbon disulfide cation cs2+  
422 TiO2 Titanium dioxide tio2  
423 SiS2 Silicon disulfide sis2  
424 GeS2 Germanium disulfide ges2  
425 CSe2 Carbon diselenide cse2  
426 SCTe Carbon sulfide Telluride scte  
427 NO2- Nitrogen dioxide anion no2-  
428 PO2 Phosphorus dioxide po2  
429 PO2- Phosphorus dioxide anion po2-  
430 PO2+ Phosphorus dioxide cation po2+  
431 AsO2 Aresenic dioxide aso2  
432 O3- Ozone anion o3-  
433 O3+ Ozone cation o3+  
434 SO2- Sulfur dioxide anion so2-  
435 SO2+ Sulfur dioxide cation so2+  
436 S3- Sulfur trimer anion s3-  
437 S3+ Sulfur trimer cation s3+  
438 TeO2 Tellurium Dioxide teo2  
439 CS2H+ Carbon disulfide, protonated cs2h+  
440 HNCO Isocyanic acid hnco  
441 HOCN cyanic acid hocn  
442 HCO2- formate anion hco2-  
443 HNNO nitrosoazane hnno  
444 HCOO formate neutral radical hcoo  
445 HOCO+ Hydrocarboxyl cation hoco+  
446 HNO2 Nitrous acid hno2  
447 HNO2+ nitrous acid cation hno2+  
448 CH2CO+ Ketene cation ch2co+  
449 HCCOH ethynol hccoh  
450 Mg(OH)2 Magnesium dihydroxide h2mgo2  
451 CH2O2 Dioxirane diox  
452 H2O3 Hydrogen trioxide h2o3  
453 HSSSH trisulfane hsssh  
454 NaOCH3 Sodium methoxide naoch3  
455 CH2CHO Vinyloxy radical ch2cho  
456 CH3CO- Acetyl anion ch3co-  
457 CH3CO+ acetyl cation ch3co+  
458 CHONH2 formamide formamide  
459 CH2OOH CH2OOH radical ch2ooh  
460 CH3OO methylperoxy radical ch3oo  
461 CH3OO- methylperoxy anion ch3oo-  
462 CH3OO+ methylperoxy cation ch3oo+  
463 CH2CHOH ethenol ch2choh  
464 H2CONH2+ protonated formamide h2conh2+  
465 NH3CHO+ Formamide, N-Protonated nh3cho+  
466 CH2(OH)2 methanediol ch2o2h2  
467 CH3OOH Methyl peroxide ch3ooh  
468 H2OH2CO water formaldehyde dimer h2oh2co  
469 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
470 CH3CH2O Ethoxy radical ethoxy  
471 CH3OCH2 methoxymethyl radical ch3och2  
472 CH3CH2OH Ethanol etoh  
473 CH3OCH3 Dimethyl ether meome  
474 CH3OHH2O methanol water dimer ch3ohh2o  
475 H2OCH3OH water methanol dimer h2och3oh  
476 ZnF2 Zinc difluoride znf2  
477 FCN Cyanogen fluoride fcn  
478 ClCN chlorocyanogen clcn  
479 BeF2 Beryllium fluoride bef2  
480 MgF2 Magnesium fluoride mgf2  
481 BeCl2 Beryllium chloride becl2  
482 MgCl2 Magnesium dichloride mgcl2  
483 CaCl2 Calcium Chloride cacl2  
484 ZnCl2 Zinc dichloride zncl2  
485 FCO Carbonyl fluoride fco  
486 FCO+ Carbonyl fluoride cation fco+  
487 ClCO carbonyl monochloride clco  
488 BrNO Nitrosyl bromide brno  
489 INO Nitrosyl iodide ino  
490 CF2- Difluoromethylene anion cf2-  
491 CF2+ Difluoromethylene cation cf2+  
492 CCl2 dichloromethylene ccl2  
493 CCl2- dichloromethylene anion ccl2-  
494 CCl2+ dichloromethylene cation ccl2+  
495 SiCl2 Dichlorosilylene sicl2  
496 GeF2 Germanium difluoride gef2  
497 FOO Dioxygen monofluoride radical foo  
498 ClOO chloroperoxy radical cloo  
499 ClOO+ chloroperoxy cation cloo+  
500 OClO+ Chlorine dioxide cation oclo+  
501 ClS2 Sulfur chloride cls2  
502 OBrO Bromine dioxide radical obro  
503 NF2 Difluoroamino radical nf2  
504 NF2+ Difluoroamino cation nf2+  
505 F2O Difluorine monoxide f2o  
506 SF2- sulfur difluoride anion sf2-  
507 SF2+ sulfur difluoride cation sf2+  
508 Cl2O Dichlorine monoxide cl2o  
509 SCl2 Sulfur dichloride scl2  
510 BrOCl Bromine hypochlorite brocl  
511 BrOBr Bromine oxide brobr  
512 F3- trifluoride anion f3-  
513 Cl3- trichloride anion cl3-  
514 I3- triiodide i3-  
515 HCCF+ fluoroacetylene cation hccf+  
516 HCCCl Chloroacetylene hcccl  
517 HFCO formyl fluoride hfco  
518 HFCO+ formyl fluoride cation hfco+  
519 COHCl Formyl chloride cohcl  
520 COHBr Formyl bromide cohbr  
521 BHF2 Difluoroborane bhf2  
522 BHCl2 Borane, dichloro- bhcl2  
523 HOClO Chlorous acid hoclo  
524 CH2FCl fluorochloromethane ch2fcl  
525 CH2ClI chloroiodomethane ch2cli  
526 CH2BrI bromoiodomethane ch2bri  
527 CH2CHF+ fluoroethene cation ch2chf+  
528 C2H3Cl Ethene, chloro- ch2chcl  
529 C2H3Br vinyl bromide c2h3br  
530 C2H3I Vinyl iodide c2h3i  
531 CH3OCl methyl hypochlorite ch3ocl  
532 C2H5F fluoroethane c2h5f  
533 CH3CH2Cl Ethyl chloride c2h5cl  
534 CH3SiFH2 fluoromethylsilane ch3sifh2  
535 KrF2 Krypton difluoride krf2  
536 XeF2 Xenon difluoride xef2  
537 B4H10 Tetraborane(10) b4h10  
538 C4+ Carbon tetramer cation c4+  
539 C4H2 Diacetylene c4h2  
540 C2H3CCH 1-Buten-3-yne c2h3cch  
541 C4H4 cyclobutadiene cbd  
542 H2CCCCH2 Butatriene h2cccch2  
543 C4H6 1-Methylcyclopropene c3100047  
544 C4H6 Cyclobutene c822355  
545 C4H6 Methylenecyclopropane c6142730  
546 CH2CCHCH3 1,2-Butadiene butad12  
547 CH2CHCHCH2 1,3-Butadiene c106990  
548 CH3CCCH3 2-Butyne c503173  
549 CHCCH2CH3 1-Butyne c107006  
550 CH3CHCHCH2 methylallyl radical c4h7  
551 C4H8 methylcyclopropane mcp  
552 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
553 CH3CHCHCH3 2-Butene, (E)- bute2e  
554 CH3CHCHCH3 2-Butene, (Z)- bute2z  
555 B(CH3)3 trimethylborane bme3  
556 Al(CH3)3 trimethyl aluminum tma  
557 C(CH3)3 Tert-butyl radical tbutyl  
558 CH2CH(CH3)2 Isobutyl radical isobutyl  
559 CH3CHCH2CH3 2-Butyl radical butyl2  
560 CH3CH(CH3)CH3 Isobutane isobutane  
561 SiH(CH3)3 trimethylsilane trimsi  
562 Li3N trilithium nitride li3n  
563 C2N2+ Cyanogen cation c2n2+  
564 P4 Phosphorus tetramer p4  
565 HCCCN Cyanoacetylene hcccn  
566 C3H3N acrylonitrile ch2chcn  
567 C3H3N+ acrylonitrile cation ch2chcn+  
568 CH5N3 Guanidine guanidine  
569 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
570 CH6N3+ guanidinium ch6n3+  
571 C3H7N Cyclopropylamine cpram  
572 C3H7N Azetidine azet  
573 C2H8N2 Ethylenediamine ethdiam  
574 CH3NHNHCH3 dimethyl hydrazine dmh  
575 CH3CH(NH2)CH3 2-Propanamine pram2  
576 N(CH3)3 Trimethylamine trimeam  
577 P(CH3)3 trimethylphosphine tmp  
578 Li2O2 dilithium dioxide li2o2  
579 B2O2 Diboron dioxide b2o2  
580 CO3 Carbon trioxide co3  
581 CO3-- carbonate co3--  
582 NO3 Nitrogen trioxide no3  
583 NO3+ nitrogen trioxide cation no3+  
584 SO3- Sulfur trioxide anion so3-  
585 SO3+ Sulfur trioxide cation so3+  
586 SeO3 selenium trioxide seo3  
587 TeO3 Tellurium trioxide teo3  
588 HCO3- bicarbonate anion hco3-  
589 HSO3 Hydroxysulfonyl radical hso3  
590 C2H2CO cyclopropenone c2h2co  
591 HCCCHO 2-propynal hcccho  
592 C2H2O2+ Ethanedial cation c2h2o2+  
593 H2CO3 Carbonic acid h2co3  
594 H2CS3 thiocarbonic acid h2cs3  
595 H2NO3+ Nitric Acid, Protonated h2no3+  
596 H2SO3 Sulfurous acid h2so3  
597 C2H3NO Nitrosoethylene c2h3no  
598 CH3COO- acetate anion ch3coo-  
599 CH3ONO Methyl nitrite ch3ono  
600 NH2COOH Carbamic acid nh2cooh  
601 H3BO3 Boric acid h3bo3  
602 H3CO3+ carbonic acid, protonated h3co3+  
603 C3H4O 2-Propyn-1-ol c107197  
604 C3H4O allenol c9000071  
605 C3H4O Cyclopropanone cpone  
606 C3H4O Methylketene c6004440  
607 NH2CONH2+ Urea cation urea+  
608 NH2CSNH2 Thiourea thiourea  
609 C2H4O2 1,3-dioxetane c2h4o2  
610 CH3COOH Acetic acid ch3cooh  
611 CH3OCHO methyl formate ch3ocho  
612 CHOCH2OH hydroxy acetaldehyde haa  
613 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
614 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
615 HCOOHH2O Formic acid water dimer hcoohh2o  
616 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
617 CH3CONH2 Acetamide acetamide  
618 C2H5OO ethylperoxy radical c2h5oo  
619 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
620 C3H6O 2-Propen-1-ol c107186  
621 C3H6O Acetone enol enol  
622 C3H6O Propylene oxide prox  
623 CH3COCH3 Acetone acetone  
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 CH3SOCH3 Dimethyl sulfoxide dmso  
631 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
632 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
633 CH3COHCH3+ acetone, protonated acetoneh+  
634 HOCH2CH2NH2 monoethanolamine mea  
635 CH3CHOHCH3 Isopropyl alcohol isoproh  
636 CH3OC2H5 Ethane, methoxy- etome  
637 C3H7SH 1-Propanethiol prsh  
638 CH3CHSHCH3 2-Propanethiol isoprsh  
639 CH3SCH2CH3 Ethane, (methylthio)- etsme  
640 H2OCH3OCH3 water dimethylether dimer h2och3och3  
641 Na2F2 Sodium Fluoride Dimer na2f2  
642 Na2Cl2 Disodium dichloride na2cl2  
643 C2F2 difluoroacetylene c2f2  
644 C2Cl2 dichloroacetylene c2cl2  
645 C2Cl2+ dichloroacetylene cation c2cl2+  
646 ClNO2 Nitryl chloride clno2  
647 BrONO Bromine nitrite brono  
648 N2F2 (Z)-Difluorodiazene n2f2_z  
649 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
650 COFCl Carbonic chloride fluoride cofcl  
651 CCl2O Phosgene cl2co  
652 Cl2CS Thiophosgene cl2cs  
653 COBr2 Carbonic dibromide cobr2  
654 BF3- Borane, trifluoro- anion bf3-  
655 AlF2Cl Aluminum chloride difluoride alclf2  
656 ScF3 Scandium trifluoride ScF3  
657 AlFCl2 Aluminum dichloride fluoride alcl2f  
658 AlCl3 Aluminum trichloride alcl3  
659 BBr3 Boron tribromide bbr3  
660 AlBr3 Aluminum Bromide albr3  
661 ClO3 Chlorine trioxide clo3  
662 ClO3- chlorate anion clo3-  
663 BrO3- Bromate anion bro3-  
664 CF3 Trifluoromethyl radical cf3  
665 CF3- Trifluoromethyl anion cf3-  
666 CF3+ Trifluoromethyl cation cf3+  
667 CCl3 Trichloromethyl radical ccl3  
668 CCl3- Trichloromethyl anion ccl3-  
669 CCl3+ Trichloromethyl cation ccl3+  
670 SiCl3 trichlorosilyl radical sicl3  
671 SiCl3+ trichlorosilyl cation sicl3+  
672 FOOF Perfluoroperoxide foof  
673 F2SO Thionyl Fluoride f2so  
674 FSSF Difluorodisulfane fssf  
675 S2F2 Thio-thionyl fluoride s2f2  
676 SeOCl2 selenium oxychloride seocl2  
677 NF3- Nitrogen trifluoride anion nf3-  
678 NF3+ Nitrogen trifluoride cation nf3+  
679 PF3 Phosphorus trifluoride pf3  
680 AsF3 Arsenic trifluoride asf3  
681 PCl3 Phosphorus trichloride pcl3  
682 SbF3 Antimony Trifluoride sbf3  
683 SbCl3 Antimony Trichloride sbcl3  
684 PBr3 Phosphorus tribromide pbr3  
685 AsBr3 Arsenic tribromide asbr3  
686 ClSSCl Disulfur dichloride s2cl2  
687 SF3 Sulfur trifluoride sf3  
688 BrF3 Bromine trifluoride brf3  
689 IF3 iodone trifluoride if3  
690 CHF2Cl difluorochloromethane chf2cl  
691 CHFCl2 fluorodichloromethane chfcl2  
692 CDCl3 trichloromethane-d cdcl3  
693 CHCl3 Chloroform chcl3  
694 SiHCl3 Trichlorosilane sihcl3  
695 CHF2I difluoroiodomethane chf2i  
696 CHFClI fluorochloroiodomethane chfcli  
697 CHCl2I dichloroiodomethane chcl2i  
698 CHClBr2 Methane, dibromochloro- chclbr2  
699 CHBr3 bromoform chbr3  
700 CHI3 Iodoform chi3  
701 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
702 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
703 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
704 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
705 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
706 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
707 C2H2Br2 1,1-dibromoethene c2h2br2  
708 CH2FCHO Fluoroacetaldehyde ch2fcho  
709 CH3COF Acetyl fluoride ch3cof  
710 CH2ClCHO chloroacetaldehyde ch2clcho  
711 CH3COCl Acetyl Chloride ch3cocl  
712 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
713 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
714 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
715 CH2CFCH3 2-fluoropropene 2fpro  
716 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
717 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
718 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
719 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
720 CH3CHClCH3 Propane, 2-chloro- prcl2  
721 CH3CH2CH2Br n-propyl bromide prbr  
722 CH3CHBrCH3 i-propyl bromide iprbr  
723 C3H9O+ trimethyl oxonium cation c3h9o+  
724 C5H5 cyclopentadienyl radical c5h5  
725 C5H5- cylopentadienyl anion c5h5-  
726 C5H6 1,3-Cyclopentadiene c542927  
727 C5H6 1-Buten-3-yne, 2-methyl- c78808  
728 C5H6 3-Penten-1-yne, (E)- c2004695  
729 C5H6 3-Penten-1-yne, (Z)- c1574409  
730 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
731 C5H6 Cyclopropylacetylene c6746947  
732 C5H7 1,3-pentadienyl radical pdyl  
733 C5H7 cyclopentenyl radical cpyl  
734 C5H8 1,2-Butadiene, 3-methyl- c598254  
735 C5H8 1,2-Pentadiene c591957  
736 C5H8 1,3-Butadiene, 2-methyl- c78795  
737 C5H8 1,3-Pentadiene, (E)- c2004708  
738 C5H8 1,3-Pentadiene, (Z)- c1574410  
739 C5H8 1,4-Pentadiene c591935  
740 C5H8 1-pentyne a1pentyne  
741 C5H8 2,3-Pentadiene c591968  
742 C5H8 Cyclobutane, methylene- c1120565  
743 C5H8 Cyclopentene c142290  
744 C5H8 Ethenylcyclopropane c693867  
745 CH3CCCH2CH3 2-Pentyne 2pentyne  
746 C5H10 1-Butene, 2-methyl- c563462  
747 C5H10 2-Butene, 2-methyl- c513359  
748 C5H10 2-Pentene, (E)- c646048  
749 C5H10 2-Pentene, (Z)- c627203  
750 C5H10 Cyclopentane c287923  
751 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
752 CH2CHCH2CH2CH3 1-pentene pentene  
753 C5H11 2-Methylbut-2-yl radical c4348350  
754 C5H12 Butane, 2-methyl- buta2  
755 C5H12 Pentane pentane  
756 C5H12 Propane, 2,2-dimethyl- neopentane  
757 Si(CH3)4 tetramethylsilane tms  
758 N2O3 Dinitrogen trioxide n2o3  
759 C3H2N2 Malononitrile c3h2n2  
760 CH2N4 1H-Tetrazole 1htz  
761 C3H3N2 imidazolyl radical im  
762 C3H3N2- imidizolyl anion im-  
763 C2H3N3 1H-1,2,4-Triazole c288880  
764 C4H4N pyrrolide radical c4h4n  
765 C4H4N- pyrrolide anion c4h4n-  
766 C3H4N2 1H-Pyrazole 1hpyraz  
767 C4H5N (E)-2-Butenenitrile c627269  
768 C4H5N (Z)-2-Butenenitrile c1190767  
769 C4H5N 2H-pyrrole pyrrole2  
770 C4H5N 3H-pyrrole pyrrole3  
771 C4H5N Cyclopropanecarbonitrile c5500210  
772 CH2CHCH2CN Allylcyanide ch2chch2cn  
773 C3H6N2 3-Aminopropionitrile c151188  
774 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
775 CH3CH2CH2CN Butanenitrile c109740  
776 C5H8 Bicyclo[2.1.0]pentane c185944  
777 C5H8 Spiropentane c157404  
778 C4H9N Cyclobutylamine cbam  
779 C4H9N Pyrrolidine pyrrolidine  
780 C3H10N2 1,2-Diaminopropane diampr12  
781 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
782 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
783 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
784 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
785 NC4H12+ tetramethyl ammonium cation nc4h12+  
786 C3O2+ Carbon suboxide cation c3o2+  
787 ONONO Nitrosyl nitrite onono  
788 PO4--- phosphate po4---  
789 SO4-- sulfate so4--  
790 HOONO2 peroxy nitric acid hoono2  
791 HSO4- bisulfate anion hso4-  
792 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
793 C3H2O2 Propiolic acid c3h2o2  
794 CHOCOOH oxo acetic acid oaa  
795 H2SO4 Sulfuric acid h2so4  
796 H2SeO4 Selenic acid h2seo4  
797 C3H3NO Oxazole oxazole  
798 CH3C(O)OO acetyl peroxy radical ch3coo2  
799 CH3NO3 Methyl nitrate ch3no3  
800 H3PO4 Phosphoric Acid h3po4  
801 C4H4O Furan furan  
802 C4H4O+ Furan cation furan+  
803 C4H4S Thiophene furans  
804 C3H4O2 β–Propiolactone beta  
805 C3H4O2 2-Propenoic acid propenoic2  
806 C3H4O2 Methyl glyoxal megly  
807 C3H4O2 propanedial propanedial  
808 C3H4O2 propenalol propenalol  
809 HOCHCCHOH allenediol aldiol  
810 C2H4O3 1,2,3-trioxolane c2h4o3  
811 C2H4O3 trioxolane124 triox  
812 HOCH2COOH Hydroxyacetic acid hac  
813 CH2CHCONH2 Acrylamide c79061  
814 CH5N3S Hydrazinecarbothioamide c79196  
815 H2NCH2COOH Glycine glycine  
816 C4H6O cis-2-butenal butenal2c  
817 C4H6O Cyclobutanone cbutone  
818 C4H6O Furan, 2,3-dihydro- furan23h  
819 C4H6O Furan, 2,5-dihydro- furan25h  
820 CH2CHOCHCH2 Vinyl ether vinylether  
821 CHOCHCHCH3 2-Butenal butenal2  
822 C4H6S Thiophene, 2,3-dihydro- thiop23h  
823 C4H6S Thiophene, 2,5-dihydro- thiop25h  
824 C2H6N2O Urea, methyl- c598505  
825 C3H6O2 1,3-Dioxolane dioxolane  
826 CH3CH2COOH Propanoic Acid propanoic  
827 CH3COOCH3 methyl acetate aame  
828 CH3SSSCH3 dimethyl trisulfide c2h6s3  
829 C3H7NO dimethylformamide dmf  
830 C3H7NO Propanamide propanam  
831 C2H3OC2H5 Ethene, ethoxy- c109922  
832 C4H8O Cyclobutanol c2919235  
833 C4H8O Furan, tetrahydro- thf  
834 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
835 CH3COCH2CH3 2-Butanone buta2one  
836 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
837 CHOCH2CH2CH3 Butanal butanal  
838 C3H8O2 1,3-Propanediol c504632  
839 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
840 C3H8O2 Methane, dimethoxy- c109875  
841 C3H8O2 Propylene glycol c57556  
842 C3H8S2 1,3-Propanedithiol c109808  
843 C4H10O 1-Butanol butanol1  
844 C4H10O 1-Propanol, 2-methyl- c78831  
845 C4H10O 2-Butanol, (.+/-.)- butanol2  
846 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
847 C4H10O Ethoxy ethane etoet  
848 C4H10O Propane, 2-methoxy- c598538  
849 C4H10O+ 1-Butanol cation butanol1+  
850 C2H5SC2H5 Diethyl sulfide etset  
851 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
852 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
853 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
854 FNO3 Fluorine nitrate fno3  
855 ClONO2 Chlorine nitrate clono2  
856 BrONO2 Bromine nitrate brono2  
857 TiCl4 Titanium tetrachloride ticl4  
858 ClO4- perchlorate anion clo4-  
859 BF4- tetrafluoroboron anion bf4-  
860 ClFO3 Perchloryl fluoride clfo3  
861 SO2F2 Sulfuryl fluoride so2f2  
862 SO2Cl2 Sulfuryl chloride so2cl2  
863 F3NO Nitrogen trifluoride oxide f3no  
864 F3PO Phosphoryl fluoride pf3o  
865 Cl3PO Phosphoryl chloride pcl3o  
866 CF4 Carbon tetrafluoride cf4  
867 SiF4 Silicon tetrafluoride sif4  
868 TiF4 Titanium tetrafluoride tif4  
869 CFCl3 Trichloromonofluoromethane cfcl3  
870 GeF4 Germanium tetrafluoride gef4  
871 CCl4 Carbon tetrachloride ccl4  
872 CCl4+ Carbon tetrachloride cation ccl4+  
873 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
874 SiCl4 Silane, tetrachloro- sicl4  
875 CF3I trifluoroiodomethane cf3i  
876 CBrCl3 Methane, bromotrichloro- cbrcl3  
877 CBr2F2 Methane, dibromodifluoro- cbr2f2  
878 GeCl4 Germanium Tetrachloride gecl4  
879 CFClBrI fluorochlorobromoiodomethane cfclbri  
880 CF2I2 difluorodiiodomethane cf2i2  
881 CCl2I2 dichlorodiiodomethane ccl2i2  
882 CBr3I tribromoiododmethane cbr3i  
883 CI4 tetraiodomethane ci4  
884 SiI4 silicon tetraiodide sii4  
885 C2HF3 Trifluoroethylene c2hf3  
886 C2HF3+ Trifluoroethylene cation c2hf3+  
887 CHClCCl2 Trichloroethylene chclccl2  
888 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
889 HClO4 perchloric acid hclo4  
890 HSO3F Fluorosulfonic acid hso3f  
891 CF3OH trifluoromethanol cf3oh  
892 CHClCCHCl 1,3-dichloroallene chclcchcl  
893 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
894 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
895 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
896 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
897 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
898 SiCl3CH3 methyltrichlorosilane sicl3ch3  
899 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
900 NH3BCl3 Amminetrichloroboron nh3bcl3  
901 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
902 C3H5ClO Oxirane, (chloromethyl)- c106898  
903 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
904 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
905 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
906 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
907 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
908 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
909 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
910 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
911 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
912 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
913 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
914 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
915 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
916 C4H9F 1-fluorobutane butaf1  
917 CH3CHFCH2CH3 2-fluorobutane butaf2  
918 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
919 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
920 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
921 XeF4 Xenon tetrafluoride xef4  
922 C6H2 hexatriyne c6h2  
923 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
924 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
925 C6H4 Benzyne benzyne  
926 C6H5 phenyl phenyl  
927 C6H5- phenyl anion phenyl-  
928 C6H6 2,4-Hexadiyne hexadiyne  
929 C6H6 3,4-Dimethylenecyclobutene cb34m  
930 C6H6 Benzene benzene  
931 C6H6 Trimethylenecycopropane tmcp  
932 C6H6+ Benzene cation c6h6+  
933 C6H8 (E)-hexa-1,3,5-triene c821078  
934 C6H8 (E)-hexa-2,3,4-triene c59660650  
935 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
936 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
937 C6H8 1,3-Cyclohexadiene cyhexadiene13  
938 C6H8 1,4-Cyclohexadiene cyhexadiene14  
939 C6H8 3-Methylenecyclopentene c930267  
940 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
941 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
942 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
943 C6H10 1,3-Hexadiene, (E)- hexdi13e  
944 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
945 C6H10 1,4-Hexadiene, (E)- hexdi14t  
946 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
947 C6H10 1,5-Hexadiene c592427  
948 C6H10 1-Butyne, 3,3-dimethyl- c917920  
949 C6H10 1-Hexyne hexyne1  
950 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
951 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
952 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
953 C6H10 2-Hexyne c764352  
954 C6H10 cyclohexene cyclohexene  
955 C6H10 Cyclopentene, 1-methyl- c693890  
956 C6H10 Cyclopentene, 3-methyl- c1120623  
957 C6H10 Cyclopentene, 4-methyl- c1759815  
958 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
959 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
960 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
961 C6H12 (E)-2-Hexene e2hexene  
962 C6H12 (E)-3-methylpent-2-ene c616126  
963 C6H12 (E)-hex-3-ene e3hexene  
964 C6H12 (Z)-3-methylpent-2-ene c922623  
965 C6H12 (Z)-hex-2-ene z2hexene  
966 C6H12 (Z)-hex-3-ene z3hexene  
967 C6H12 2,3-dimethylbut-1-ene c563780  
968 C6H12 2,3-dimethyl-but-2-ene tmeet  
969 C6H12 3-methylenepentane c760214  
970 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
971 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
972 C6H12 Cyclohexane cyclohexane  
973 C6H12 Cyclopentane, methyl- c96377  
974 C6H12 Ethylcyclobutane c4806615  
975 C6H12 hex-1-ene hexene1  
976 C6H14 Butane, 2,2-dimethyl- buta22  
977 C6H14 Butane, 2,3-dimethyl- buta23  
978 C6H14 Hexane hexane  
979 C6H14 Pentane, 2-methyl- penta2  
980 C6H14 Pentane, 3-methyl- penta3  
981 C4N2 2-Butynedinitrile c4n2  
982 C4H2N2 Fumaronitrile c4h2n2  
983 C2H2N4 sym-tetrazine ttz  
984 C3H3N3 1,3,5-Triazine triazine135  
985 CH3N5 5-Aminotetrazole c4418615  
986 C4H4N2 1,3-Diazine diazine13  
987 C4H4N2 Pyrazine pyrazine  
988 C4H4N2 Pyridazine pyridazine  
989 C4H4N2 Succinonitrile c110612  
990 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
991 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
992 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
993 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
994 C5H5N E-2,4-pentadienenitrile bdcn  
995 C5H5N Pyridine pyridine  
996 B3N3H6 borazine borazine  
997 C6H6 Fulvene fulvene  
998 C4H6N2 1H-Imidazole, 2-methyl- c693981  
999 C5H7N (E)-2-Pentenenitrile c26294984  
1000 C5H7N (E)-3-Pentenenitrile c16529661  
1001 C5H7N (Z)-2-Pentenenitrile c25899507  
1002 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1003 C5H7N Cyclobutanecarbonitrile c4426113  
1004 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1005 C5H9N Butanenitrile, 2-methyl- c18936179  
1006 C5H9N Pentanenitrile c110598  
1007 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1008 C6H10 Bicyclo[3.1.0]hexane c285585  
1009 C5H11N Cyclopentanamine cypentam  
1010 C5H11N Piperidine piper  
1011 C4H12N2 1,2-Butanediamine c4426486  
1012 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1013 Li2CO3 Lithium Carbonate li2co3  
1014 Na2CO3 Sodium Carbonate na2co3  
1015 C2O4-- oxalate anion c2o4  
1016 C2H3NO3 Oxamic acid oxamic  
1017 C4H4O2 2(5H)-Furanone furanone  
1018 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1019 C2H4N2O2 Oxalamide oxalamide  
1020 C2H4CO3 Ethylene carbonate etco3  
1021 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1022 C3H4S3 1,3-Dithiolane-2-thione c822388  
1023 C2H4O4 Formic acid dimer fadimer  
1024 C4H5NO 3-Methylisoxazole isox3m  
1025 C4H5NO Isoxazole, 5-methyl- c5765446  
1026 C4H5NS 4-Methylthiazole c693958  
1027 C5H6O 2-methylfuran furan2m  
1028 C5H6O 3-Methylfuran furan3m  
1029 C5H6S Thiophene, 2-methyl- c554143  
1030 C5H6S Thiophene, 3-methyl- c616444  
1031 C4H6O2 2,3-Butanedione c431038  
1032 C4H6O2 2-Propenoic acid, methyl ester c96333  
1033 C4H6O2 Crotonic Acid crot  
1034 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1035 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1036 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1037 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1038 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1039 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1040 C4H6OS Vinyl sulfoxide c1115157  
1041 CH6N4S Carbonothioic dihydrazide thiacarb  
1042 C2H6N2O2 (E)-Azodioxymethane c37765154  
1043 C2H6N2O2 Dimethylnitroamine c4164287  
1044 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1045 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1046 C4H7NO 2-Pyrrolidinone c616455  
1047 C4H7NO Ethoxyacetonitrile etoaccn  
1048 C4H7NO Methacrylamide c79390  
1049 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1050 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1051 C3H7ONO Propyl nitrite prono  
1052 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1053 CH3CH(NH2)COOH Alanine alanine  
1054 CH3NHCH2COOH Sarcosine sarcosine  
1055 NH2CH2CH2COOH β–alanine betaalanine  
1056 NH2COOC2H5 Urethane urethane  
1057 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1058 C5H8O Cyclopentanone c120923  
1059 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1060 C5H8O Methyl cyclopropyl ketone c765435  
1061 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1062 NH2CONHC2H5 Urea, ethyl- c625525  
1063 C4H8O2 1,3-Dioxane dioxan13  
1064 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1065 C4H8O2 1,4-Dioxane dioxan14  
1066 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1067 C4H8O2 Ethyl acetate c141786  
1068 C4H8OS s-Ethyl thioacetate c625605  
1069 C3H8O3 1,2,3-Propanetriol glycerin  
1070 C3H8O2S (Methylsulfonyl)ethane c594434  
1071 C4H9NO Butanamide c541355  
1072 C4H9NO Propanamide, 2-methyl- c563837  
1073 C5H10O 2-Butanone, 3-methyl- c563804  
1074 C5H10O 2H-Pyran, tetrahydro- c142687  
1075 C5H10O 2-methylbutyraldehyde 2meba  
1076 C5H10O 2-Pentanone mpk  
1077 C5H10O Cyclopentanol c96413  
1078 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1079 C5H10O Pentanal pal  
1080 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1081 C5H10S 3-Ethylthio-1-propene c5296628  
1082 C5H10S Cyclopentanethiol c1679078  
1083 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1084 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1085 C4H10O2 1,1-Dimethoxyethane c534156  
1086 C4H10O2 1,3-Butanediol budiol13  
1087 C4H10O2 1,4-Butanediol budiol14  
1088 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1089 C4H10OS Diethyl sulfoxide c70291  
1090 C4H10S2 1,4-Butanedithiol budisl14  
1091 C4H11NO Diethylhydroxylamine c3710847  
1092 C5H12O 1-Butanol, 2-methyl- c137326  
1093 C5H12O 1-Butanol, 3-methyl- c123513  
1094 C5H12O 1-Pentanol pentanol1  
1095 C5H12O 2-Butanol, 3-methyl- c598754  
1096 C5H12O 2-Pentanol peol2  
1097 C5H12O 3-Pentanol pentan3ol  
1098 C5H12O Butane, 1-methoxy- meobu  
1099 C5H12O Propane, 1-ethoxy- proet  
1100 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1101 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1102 C5H12S 1-Butanethiol, 3-methyl- c541311  
1103 C5H12S 1-Pentanethiol c110667  
1104 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1105 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1106 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1107 C5H12S Butane, 1-(methylthio)- c628295  
1108 C5H12S Ethyl propyl sulfide c4110503  
1109 C5H12S Propane, 2-(ethylthio)- c5145993  
1110 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1111 CF3CN Acetonitrile, trifluoro- cf3cn  
1112 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1113 B2Cl4 Diboron tetrachloride b2cl4  
1114 C2F4 Tetrafluoroethylene c2f4  
1115 C2F4+ Tetrafluoroethylene cation c2f4+  
1116 C2FCl3 fluorotrichloroethene c2fcl3  
1117 C2Cl4 Tetrachloroethylene c2cl4  
1118 CF3OF Trifluoromethylhypofluorite cf3of  
1119 AsF5 Arsenic pentafluoride asf5  
1120 PCl5 Phosphorus pentachloride pcl5  
1121 SF5 Sulfur pentafluoride sf5  
1122 SbCl5 Antimony pentachloride sbcl5  
1123 BrF5 bromine pentafluoride brf5  
1124 ClF5 chlorinepentafluoride clf5  
1125 CF3CHO trifluoroacetaldehyde cf3cho  
1126 CCl3CHO trichloroacetaldehyde ccl3cho  
1127 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1128 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1129 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1130 CF3COOH trifluoroacetic acid cf3cooh  
1131 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1132 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1133 C4H8Cl2 1,4-Dichlorobutane c110565  
1134 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1135 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1136 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1137 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1138 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1139 C5H11Cl Pentane, 1-chloro- pencl1  
1140 C6H5CH2 benzyl radical benzyl  
1141 C6H5CH3 toluene toluene  
1142 C7H8 cycloheptatriene cht  
1143 C7H8 Norbornadiene norbor  
1144 C7H8 Quadricyclane qucy  
1145 C7H12 Norbornane nor  
1146 C7H14 cycloheptane c7h14  
1147 C7H16 2-methylhexane 2mhex  
1148 C7H16 3-methylhexane hex3m  
1149 C7H16 heptane heptane  
1150 C6H7N 2-Methylpyridine mp  
1151 C6H5NH2 aniline aniline  
1152 C6H13N 2-Methylpiperidine pip2m  
1153 C6H13N cyclohexanamine cham  
1154 C6H15N triethylamine tea  
1155 N2O5 Dinitrogen pentoxide n2o5  
1156 C4H2O3 Maleic Anhydride malan  
1157 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1158 C5H4O2 furfural furfural  
1159 C6H5O phenoxy radical phenoxy  
1160 C5H5NO 2(1H)-Pyridinone c72762006  
1161 C5H5NO 2(3H)-Pyridinone c9000048  
1162 C5H5NO 2(5H)-Pyridinone c9000037  
1163 C5H5NO 2-Pyridinol c109104  
1164 C5H5NO 3(2H)-Pyridinone c9000004  
1165 C5H5NO 3(4H)-Pyridinone c9000026  
1166 C5H5NO 3(6H)-Pyridinone c9000015  
1167 C5H5NO 3-Pyridinol c109002  
1168 C5H5NO 4(1H)-Pryidinone c9000060  
1169 C5H5NO 4(3H)-Pryidinone c9000059  
1170 C5H5NO 4-Pyridinol c626642  
1171 C6H5OH phenol phenol  
1172 C6H6O 2,4-Cyclohexadienone c24599573  
1173 C6H6O 2,5-Cyclohexadienone c5664335  
1174 C6H5SH Benzenethiol phsh  
1175 HO2CCHNH2CH2OH Serine serine  
1176 C5H8O2 Acetylacetone acac  
1177 C4H8O2S Sulfolane sulfolane  
1178 CH(C2H3)3 trivinyl methane tvm  
1179 C6H10O cyclohexanone chexo  
1180 C6H12O hexanal c6h12o  
1181 C3H7OC3H7 di-n-propyl ether propr  
1182 CF3COCl trifluoroacetyl chloride cf3cocl  
1183 PF6- Hexafluorophosphate ion pf6-  
1184 SeF6 Selenium hexafluoride sef6  
1185 SF5Cl sulfur chloropentafluoride sf5cl  
1186 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1187 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1188 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1189 CCl3CHCl2 pentachloroethane ccl3chcl2  
1190 C6H5F Fluorobenzene bzf  
1191 C6H5Cl chlorobenzene bzcl  
1192 C6H5Br bromobenzene bzbr  
1193 C8H6 Calicene calicene  
1194 C6H5CCH phenylacetylene phac  
1195 C8H6 benzocyclobutadiene bcbd  
1196 C8H6 Pentalene pentalene  
1197 C6H5CHCH2 Styrene styrene  
1198 C8H8 cubane cubane  
1199 C8H8 cyclooctatetraene cot  
1200 C6H5CH2CH3 Ethylbenzene etbz  
1201 CH3C6H4CH3 meta-xylene mxylene  
1202 CH3C6H4CH3 paraxylene pxylene  
1203 C8H14 Bicyclo[2.2.2]octane bico222  
1204 C8H16 cyclooctane cyclooct  
1205 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1206 C8H18 Octane c8h18  
1207 C6H5CN phenyl cyanide phcn  
1208 C6H12N2 Triethylenediamine ted  
1209 C4O4-- squarate dianion c4o4--  
1210 S8 Octasulfur s8  
1211 C6H4O2 parabenzoquinone pbq  
1212 C4H4N2O2 Uracil uracil  
1213 C6H5OCH3 Anisole anisole  
1214 C5H9NO2 Proline proline  
1215 C6H12O2 Methyl pivalate c598981  
1216 C6H12O2 Hexanoic acid hexa  
1217 C4F4 tetrafluorcyclobutadiene c4f4  
1218 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1219 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1220 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1221 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1222 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1223 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1224 C2F6 hexafluoroethane c2f6  
1225 IF7 Iodine heptafluoride if7  
1226 C6H4F2 metadifluorobenzene mdfb  
1227 C6H4F2 orthodifluorobenzene odfb  
1228 C6H4F2 1,4-difluorobenzene pdfb  
1229 C6H4Cl2 1,2-dichlorobenzene dcb12  
1230 C6H4Cl2 1,3-dichlorobenzene dcb13  
1231 C9H8 Indene indene  
1232 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1233 C9H12 n-propyl benzene prbz  
1234 C(CN)4 tetracyanomethane c5n4  
1235 C5H4N4 purine purine  
1236 C8H7N Indole indole  
1237 C3H3N3O3 cyanuric acid cyanuric  
1238 C6H5NO2 Nitrobenzene c6h5no2  
1239 C6H5COOH benzoic acid benzo  
1240 CH3COC6H5 acetophenone acph  
1241 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1242 C6H3F3 Benzene trifluoride 123 bzf3a  
1243 C10H8 Azulene azu  
1244 C10H16 adamantane adamantane  
1245 C6N4 Tetracyanoethylene tcne  
1246 C6N4- tetracyanoethylene anion tcne-  
1247 C10H22 Decane decane  
1248 C4F6 perfluorobutadiene c4f6  
1249 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1250 C3F8 perfluoropropane c3f8  
1251 Fe(CO)5 Iron pentacarbonyl ipc  
1252 Fe(C5H5)2 ferrocene fecp2  
1253 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1254 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1255 C12H8 Acenaphthylene acenaph  
1256 C12H8 biphenylene biph  
1257 C12H10 biphenyl biphenyl  
1258 C12H10 Heptalene heptalene  
1259 C6H12O6 Inositol inositol  
1260 C6F6 hexafluorobenzene c6f6  
1261 C13H10 Fluorene fluorene  
1262 C14H10 Anthracene anth  
1263 C14H10 Phenanthrene phenanthrene  
1264 C12H10N2 azobenzene azobenzene  
1265 C6H5COC6H5 benzophenone benzophenone  
1266 C16H10 Pyrene pyrene  
1267 C18H12 Tetracene tetracene  
1268 C19H16 Triphenylmethane tpm  
1269 C24H12 Coronene coronene  
1270 C60 Buckminsterfullerene c60