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List of which calculations are completed at B2PLYP=FULL /cc-pVTZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li- Lithium atom anion 1SKh
12 LiH+ lithium hydride cation 2ΣC∞v
13 BeH beryllium monohydride 2ΣC∞v
14 MgH magnesium monohydride 2ΣC∞v
15 TiH Titanium monohydride 4ΦC∞v
16 ZnH+ Zinc, protonated   
17 BeH2+ Beryllium dihydride cation   
18 MgH2 magnesium dihydride 1ΣgD∞h
19 Al Aluminum atom 2PKh
20 Al- Aluminum atom anion 3PKh
21 Al+ Aluminum atom cation 1SKh
22 Sc Scandium atom 2DKh
23 Sc+ Scandium cation 3DKh
24 Ga Gallium atom 2P 
25 Ga- Gallium atom anion 3POh
26 Ga+ Gallium atom cation 1S 
27 BH Boron monohydride 1ΣC∞v
28 BH Boron monohydride 3ΠC∞v
29 ScH Scandium monohydride 1ΣC∞v
30 ScH+ Scandium monohydride cation 2ΣC∞v
31 GaH Gallium monohydride 1ΣC∞v
32 GaH+ Gallium monohydride cation 2ΣC∞v
33 BH3+ boron trihydride cation 2B2C2v
34 BH3+ boron trihydride cation  C2v
35 AlH3 aluminum trihydride 1A1'D3h
36 AlH3- aluminum trihydride anion  C3v
37 ScH3 Scandium trihydride 1A1'D3h
38 ScH3 Scandium trihydride 1A1C3v
39 BH4 borohydride 2B2C2v
40 BH4- borohydride anion 1A1Td
41 C Carbon atom 3P0Kh
42 C- Carbon atom anion 2DKh
43 Si Silicon atom 3PKh
44 Si Silicon atom 1SKh
45 Si- Silicon atom anion 4SKh
46 Ge Germanium atom 3PKh
47 Ge- Germanium anion 4SKh
48 Ge+ Germanium cation 2PKh
49 CH Methylidyne 2Π1/2C∞v
50 SiH Silylidyne 2ΠC∞v
51 SiH+ silicon monohydride cation 1ΣC∞v
52 GeH germylidene 2ΠC∞v
53 GeH+ Germaniun monohyrdide cation 1ΣC∞v
54 CH2 Methylene 3B1C2v
55 CH2 Methylene 3ΣGD∞h
56 CH2 Methylene 1A1C2v
57 CH2- methylene anion 2B1C2v
58 CH2+ methylene cation 2A1C2v
59 CH2+ methylene cation 2ΠD∞h
60 GeH2 germylene 1A1C2v
61 CH3 Methyl radical 2A1D3h
62 CH3- methyl anion 1A1C3v
63 CH3+ methyl cation 1A1'D3h
64 SiH3 Silyl radical 2A1C3v
65 SiH3+ Silyl cation 1A1'D3h
66 GeH3 Germyl radical 2A1C3v
67 GeH3+ germyl cation 1A1'D3h
68 CH4 Methane 1A1Td
69 CH4- Methane anion 2A1Td
70 CH4- Methane anion 2A1C3v
71 SiH2D2 silane-d2   
72 SiH4 Silane 1A1Td
73 GeH4 Germane 1A1Td
74 SiH5+ Silane, protonated   
75 N Nitrogen atom 4SKh
76 P Phosphorus atom 4SKh
77 V Vanadium atom 4FKh
78 V+ Vanadium atom cation 5DKh
79 As Arsenic atomic 4SKh
80 As- Arsenic anion 3PKh
81 As+ Arsenic cation 3PKh
82 PH phosphorus monohydride 3Σ-C∞v
83 AsH Arsenic monohydride 3ΣC∞v
84 NH2 Amino radical 2B1C2v
85 NH2+ Amino cation 3B1C2v
86 NH2+ Amino cation 1A1C2v
87 NH3 Ammonia 1A1C3v
88 NH3- Ammonia anion 2A1C3v
89 NH3+ ammonia cation 2A2"D3h
90 PH3 Phosphine 1A1C3v
91 PH3+ Phosphine cation 2A1C3v
92 AsH3 Arsine 1A1C3v
93 AsH3+ Arsine cation 2A1C3v
94 AsH4+ Arsonium   
95 NH4 Ammonium radical   
96 NH4+ ammonium cation 1A1Td
97 PH4 Phosphoranyl radical   
98 PH4+ phosphonium cation   
99 O Oxygen atom 3SKh
100 S Sulfur atom 3PKh
101 S Sulfur atom   
102 S- Sulfur atom anion 2PKh
103 S+ Sulfur atom cation 4SKh
104 Se Selenium atom 3PKh
105 Se- Selenium atom anion 2PKh
106 Se+ Selenium atom cation 4SKh
107 OH Hydroxyl radical 2ΠC∞v
108 OH- hydroxide anion 1ΣC∞v
109 OH+ hydoxyl cation 3ΣC∞v
110 HS Mercapto radical 2ΠC∞v
111 HS- mercapto anion 1ΣC∞v
112 HS+ sulfur monohydride cation 3ΣC∞v
113 CrH Chromium hydride 6ΣC∞v
114 CrH+ Chromium hydride cation 5ΣC∞v
115 HSe Selenium monohydride 2ΠC∞v
116 HSe- selenium monohydride anion 1ΣC∞v
117 HSe+ selenium monohydride cation 3ΣC∞v
118 H2O Water 1A1C2v
119 H2O- water anion 2A1C2v
120 H2O- water anion 2A'Cs
121 H2O+ water cation 2B1C2v
122 HDO Water-d1 1A1C2v
123 H2S Hydrogen sulfide 1A1C2v
124 H2S+ Hydrogen sulfide cation 2B1C2v
125 H2Se Hydrogen selenide 1A1C2v
126 H2Se+ Hydrogen selenide cation 2B1C2v
127 H3O+ hydronium cation 1A1C3v
128 H3S+ Sulfonium cation 1A1C3v
129 H3Se+ Hydrogen Selenide, protonated 1A1C3v
130 F Fluorine atom 2PKh
131 F- Fluorine atom anion 1SKh
132 F+ Fluorine atom cation 3SKh
133 F+ Fluorine atom cation 1DKh
134 Cl Chlorine atom 2PKh
135 Cl- Chlorine atom anion 1SKh
136 Cl+ Chlorine atom cation 3PKh
137 Cl+ Chlorine atom cation 1DKh
138 Br Bromine atom 2PKh
139 Br- Bromine atom anion 1SKh
140 Br+ Bromine atom cation 3PKh
141 HF Hydrogen fluoride 1ΣC∞v
142 HF- hydrogen fluoride anion 2ΣC∞v
143 HF+ hydrogen fluoride cation 2ΠC∞v
144 HCl Hydrogen chloride 1ΣC∞v
145 HCl- hydrogen chloride anion 2ΣC∞v
146 HCl+ hydrogen chloride cation 2ΠC∞v
147 HBr hydrogen bromide 1ΣC∞v
148 HBr- hydrogen bromide anion 2ΣC∞v
149 HBr+ hydrogen bromide cation 2ΠC∞v
150 H2Cl+ dihydrogen monochloride cation 1A1C2v
151 H2Br+ protonated hydrogen bromide 2A1C2v
152 Ne Neon atom 1SKh
153 Ne Neon atom   
154 Kr Krypton atom 1SKh
155 Kr+ Krypton cation 2PKh
156 HeLi+ Helium Lithium cation   
157 NeH neon hydrogen 2ΣC∞v
158 ArH+ Argon hydride cation 1ΣC∞v
159 KrH+ Protonated Krypton 1ΣC∞v
160 H2Ar H2 Ar dimer 1ΣC∞v
161 NaLi lithium sodium 1ΣC∞v
162 Na2 Sodium diatomic 1ΣgD∞h
163 Na2- sodium diatomic anion 2ΣuD∞h
164 Na2+ sodium diatomic cation 2ΣgD∞h
165 Be2 Beryllium diatomic 1ΣgD∞h
166 BeMg Beryllium Magnesium 1ΣC∞v
167 LiB Lithium boride 3ΠC∞v
168 LiAl Lithium Aluminum   
169 NaAl Sodium aluminum 1ΣC∞v
170 BeB Beryllium monoboride 2ΠC∞v
171 B2 Boron diatomic 3ΣgD∞h
172 B2 Boron diatomic 1ΣgD∞h
173 B2 Boron diatomic 5ΣuD∞h
174 B2+ Boron diatomic cation 2ΠD∞h
175 BAl Boron Aluminum 3ΣC∞v
176 BGa Boron Gallium 3ΣC∞v
177 AlGa Aluminum Gallium 3ΣC∞v
178 AlGa Aluminum Gallium 1ΣC∞v
179 Ga2 Gallium diatomic 3Piu 
180 HBBH Diborane(2) 3ΣGD∞h
181 B2H4 Diborane(4) D2d 1A1D2d
182 HBHHBH Diborane(4) C2V 1A1C2v
183 B2H6 Diborane 1AgD2h
184 B2H6+ Diborane cation   
185 Al2H6 dialane 1AGD2h
186 Ga2H6 digallane 1AGD2h
187 BeC Beryllium Carbide 3Σ-C∞v
188 BeC Beryllium Carbide   
189 CaC Calcium monocarbide   
190 AlC Aluminum carbide 4ΣC∞v
191 BSi Boron silicide 4ΣC∞v
192 BSi Boron silicide 2ΣC∞v
193 C2 Carbon diatomic 1Σg+D∞h
194 C2 Carbon diatomic 3Σg- 
195 C2+ carbon diatomic cation 4ΣgD∞h
196 SiC silicon monocarbide 3ΣC∞v
197 SiC silicon monocarbide 1ΣC∞v
198 GeC Germanium monocarbide 1ΣC∞v
199 SiGe Silicon Germanium   
200 C2H Ethynyl radical 2ΣC∞v
201 C2H- Ethynyl anion 1ΣC∞v
202 C2H2 Acetylene 1ΣgD∞h
203 C2H2+ acetylene cation 2ΠuD∞h
204 C2H2+ acetylene cation   
205 H2CC- vinylidene anion   
206 HCCH- acetylene anion   
207 HCCH- acetylene anion   
208 Si2H2 disilyne   
209 Si2H2 disilyne   
210 Si2H2 disilyne   
211 Si2H2 disilyne   
212 CH3Li methyl lithium 1A1C3v
213 CH2BH methyleneborane 1A1C2v
214 C2H3 vinyl 2A'Cs
215 C2H3- vinyl anion 1A'Cs
216 C2H3+ vinyl cation 1A1C2V bridging H
217 C2H3+ vinyl cation 1A1C2V HCCH2
218 C2H4 Ethylene 1AgD2h
219 C2H4- Ethylene anion 2AgC2h
220 C2H4+ Ethylene cation 2B3D2
221 Si2H4 Disilene   
222 Si2H4 Disilene   
223 Si2H4 Disilene   
224 CH3BH2 methylborane 1A'Cs
225 C2H5 Ethyl radical 2A'Cs
226 C2H6 Ethane 1A1gD3d
227 Si2H6 disilane 1EuD3d
228 LiN Lithium Nitride 3ΣC∞v
229 LiP Lithium monophosphide   
230 LiP Lithium monophosphide   
231 BeN+ Beryllium mononitride cation 3ΣC∞v
232 BeN+ Beryllium mononitride cation 1ΣC∞v
233 MgN Magnesium Nitride   
234 MgN Magnesium Nitride   
235 BP Boron monophosphide 3ΠC∞v
236 BP Boron monophosphide 1ΣC∞v
237 AlP Aluminum monophosphide 3ΣC∞v
238 AlP Aluminum monophosphide 3ΠC∞v
239 AlP Aluminum monophosphide 1ΣC∞v
240 GaP Gallium monophosphide 3ΣC∞v
241 GaP Gallium monophosphide 1ΣC∞v
242 GaAs Gallium arsenide 3Π 
243 GaAs Gallium arsenide 1Σ 
244 BN boron nitride 3ΠC∞v
245 BN boron nitride 1ΣC∞v
246 CN Cyano radical 2ΣC∞v
247 CN- cyanide anion 1ΣC∞v
248 SiP Silicon monophosphide 2ΠC∞v
249 N2 Nitrogen diatomic 1ΣgD∞h
250 N2 Nitrogen diatomic   
251 N2- nitrogen diatomic anion 2ΠgD∞h
252 N2+ diatomic nitrogen cation 2ΣgD∞h
253 PN Phosphorus mononitride 1ΣC∞v
254 P2 Phosphorus diatomic 1ΣgD∞h
255 HCN Hydrogen cyanide 1ΣC∞v
256 HCN+ hydrogen cyanide cation 2ΠC∞v
257 HNC+ hydrogen isocyanide cation   
258 HCP+ Phosphaethyne cation   
259 NNH+ Dinitrogen monohydride cation 1ΣC∞v
260 LiNH2 lithium amide   
261 HBNH Boranimine 1ΣC∞v
262 H2NN Isodiazene   
263 N2H2 (E)-diazene 1AgC2h
264 N2H2 (Z)-Diazene 1A1C2v
265 N2H2+ trans-diazene cation 2AGC2h
266 CH2NH Methanimine 1A'Cs
267 CH2NH+ Methanimine cation   
268 CHNH2 aminomethylene   
269 CHNH2+ Aminocarbene cation   
270 CH2PH Phosphaethene 1A'Cs
271 BH2NH2 Boranamine   
272 CH2NH2+ methyleneamine cation 1A1C2v
273 N2H4 Hydrazine 1AC2
274 N2H4+ hydrazine cation 2AGC2h
275 CH3NH2 methyl amine 1A'Cs
276 CH3NH2+ methyl amine cation 2A'Cs
277 SiH3NH2 Silane, amino   
278 N2H5+ protonated hydrazine 1A'Cs
279 BH3PH3 borane phosphine   
280 BH3NH3 borane ammonia 1A1C3v
281 CH3NH3 methyl ammonium radical 2A1C3v
282 CH3PH3+ methyl phosphine, protonated 1A1C3v
283 NH3NH3 Ammonia Dimer 1AgC2h
284 NH3NH3 Ammonia Dimer 1A'Cs
285 N2H7+ ammonia ammonium dimer   
286 LiO lithium oxide 2ΣC∞v
287 LiS Lithium monosulfide 2ΠC∞v
288 LiS+ Lithium sulfide cation 3ΣC∞v
289 NaO sodium monoxide 2ΣC∞v
290 NaS Sodium sulfide 2ΠC∞v
291 LiSe Lithium monoselenide   
292 CaO Calcium monoxide 1ΣC∞v
293 CaS Calcium sulfide 1ΣC∞v
294 BO boron monoxide 2ΣC∞v
295 ScO Scandium monoxide 2ΣC∞v
296 GaO Gallium monoxide 2ΣC∞v
297 GaS Gallium monosulfide   
298 CO Carbon monoxide 1ΣC∞v
299 CO- carbon monoxide anion 2ΠC∞v
300 CO+ carbon monoxide cation 2ΣC∞v
301 SiO Silicon monoxide 1ΣC∞v
302 SiS silicon monosulfide 1ΣC∞v
303 TiO Titanium monoxide 3ΔC∞v
304 CSe Carbon monoselenide 1ΣC∞v
305 GeO Germanium monoxide 1ΣC∞v
306 GeO+ Germanium monoxide cation 2ΣC∞v
307 GeS Germanium monosulfide 1ΣC∞v
308 SiSe Silicon Monoselenide   
309 SiSe+ Silicon Monoselenide cation   
310 GeSe Germanium monoselenide   
311 NO Nitric oxide 2ΠC∞v
312 NO- nitric oxide anion 3ΣC∞v
313 NO+ nitric oxide cation 1ΣC∞v
314 NS Mononitrogen monosulfide 2ΠC∞v
315 PO Phosphorus monoxide 2ΠC∞v
316 PS phosphorus sulfide 2ΣC∞v
317 VO Vanadium monoxide 4Σ- 
318 NSe Nitrogen monoselenide 2ΠC∞v
319 AsS Arsenic monosulfide 2ΠC∞v
320 PSe Phosphorus monoselenide 2ΠC∞v
321 AsSe Arsenic monoselenide 2ΠC∞v
322 O2 Oxygen diatomic 3ΣgD∞h
323 O2- oxygen diatomic anion 2ΠD∞h
324 O2-- dioxygen dianion   
325 O2+ diatomic oxygen cation 2ΠgD∞h
326 SO Sulfur monoxide 3ΣC∞v
327 SO Sulfur monoxide 1ΣC∞v
328 SO+ sulfur monoxide cation 2ΠC∞v
329 S2 Sulfur diatomic 3ΣgD∞h
330 SeO Selenium monoxide 3ΣC∞v
331 Se2 Selenium diatomic 3ΣgD∞h
332 LiOH lithium hydroxide 1ΣC∞v
333 BeOH beryllium monohydroxide 2A'Cs
334 BeOH beryllium monohydroxide 2ΣC∞v
335 HBO Boron hydride oxide 1ΣC∞v
336 HBS hydrogen boron sulfide 1ΣC∞v
337 COH Hydroxymethylidyne   
338 COH+ Carbon Monoxide, protonated 1ΣC∞v
339 HCO Formyl radical 2A'Cs
340 HCO- formyl anion 1A'Cs
341 HCO+ Formyl cation 1ΣC∞v
342 HNO Nitrosyl hydride 1A'Cs
343 HNO+ Nitrosyl hydride cation 2A'Cs
344 NOH Hydroxyimidogen 3A"Cs
345 NOH+ O-protonated nitric oxide 2A'Cs
346 HO2 Hydroperoxy radical 2A"Cs
347 HO2+ Hydroperoxy cation 3A"Cs
348 HSO+ Sulfur Monoxide, S-protonated   
349 SOH Sulfur Hydroxide   
350 SOH+ Sulfur Monoxide, protonated   
351 H2CO Formaldehyde 1A1C2v
352 H2CO- formaldehyde anion 2A'Cs
353 H2CO- formaldehyde anion   
354 H2CO+ formaldehyde cation 2B2C2v
355 H2CS Thioformaldehyde 1A1C2v
356 H2CS- thioformaldehyde anion   
357 H2CS- thioformaldehyde anion   
358 H2CS+ thioformaldehyde cation 2B2C2v
359 H2CSe Selenoformaldehyde   
360 H2NO nitroxide 2B1C2v
361 H2NO nitroxide 2A'Cs
362 H2O2 Hydrogen peroxide 1AC2
363 H2O2 Hydrogen peroxide 1AgC2h
364 H2OO water oxide   
365 HOSH hydrogen thioperoxide   
366 H2S2 Disulfane 1AC2
367 H2S2+ hydrogen disulfide cation 2BgC2h
368 H2Se2 hydrogen diselenide   
369 CH2OH Hydroxymethyl radical 2AC1
370 CH2OH+ hydroxymethyl cation 1A'Cs
371 CH3O- methoxy anion 1A1C3v
372 CH3O+ Methoxy cation 3A1C3v
373 H2CSH+ Thioformaldehyde, protonated 1A'Cs
374 NH2OH hydroxylamine 1A'Cs
375 NH2OH+ Hydroxylamine cation   
376 NH2SH Thiohydroxylamine   
377 NH2SH Thiohydroxylamine   
378 NH3S sulfidoazane   
379 CH3OH Methyl alcohol 1A'Cs
380 CH3OH- Methyl alcohol anion 2A'Cs
381 CH3OH- Methyl alcohol anion 2A'CS eclipsed
382 CH3OH+ Methyl alcohol cation 2A"Cs
383 CH3SH Methanethiol 1A'Cs
384 CH3SH+ Methanethiol cation 2A"Cs
385 SiH3OH silanol   
386 NH2OH2+ protonated hydroxylamine   
387 NH3OH+ N-protonated hydroxylamine   
388 H2OH2O water dimer 1A'Cs
389 CH3SH2+ protonated methylsulfide 1A'Cs
390 H5O2+ Dihydroxonium ion 1AC2
391 LiF lithium fluoride 1ΣC∞v
392 LiCl lithium chloride 1ΣC∞v
393 NaF sodium fluoride 1ΣC∞v
394 NaF+ sodium fluoride cation 2ΣC∞v
395 NaCl Sodium Chloride 1ΣC∞v
396 LiBr Lithium Bromide 1ΣC∞v
397 LiF+ lithium fluoride cation 2ΠC∞v
398 MgF+ magnesium fluoride cation 1ΣC∞v
399 TiCl Titanium Monochloride 4ΣC∞v
400 ZnF Zinc monofluoride 2ΣC∞v
401 CaBr Calcium monobromide   
402 BF Boron monofluoride 1ΣC∞v
403 AlF Aluminum monofluoride 1Σ+C∞v
404 AlCl Aluminum monochloride 1ΣC∞v
405 ScF Scandium monofluoride 1ΣC∞v
406 GaF Gallium monofluoride 1ΣC∞v
407 GaF+ Gallium monofluoride cation 2ΣC∞v
408 AlBr Aluminum monobromide   
409 GaCl Gallium monochloride 1ΣGC∞v
410 GaCl+ Gallium monochloride cation 2ΣC∞v
411 GaBr Gallium monobromide   
412 CF Fluoromethylidyne 2ΠC∞v
413 SiF silicon monofluoride 2ΠC∞v
414 SiF+ silicon monofluoride cation 1ΣC∞v
415 SiCl Clorosilylidyne 2ΠC∞v
416 CBr Carbon monobromide 2ΠC∞v
417 GeF Germanium monofluoride 2ΠC∞v
418 GeF+ Germanium monofluoride cation 1ΣC∞v
419 GeCl Germanium monochloride 2ΠC∞v
420 GeCl+ Germanium monochloride cation   
421 SiBr Silicon monobromide 2ΠC∞v
422 SiBr+ Silicon monobromide cation   
423 NCl nitrogen monochloride 3ΣC∞v
424 AsF Arsenic monofluoride 3ΣC∞v
425 AsCl Arsenic monochloride 3ΣC∞v
426 PBr Phosphorus monobromide   
427 FO Oxygen monofluoride 2ΠC∞v
428 ClO Monochlorine monoxide 2ΠC∞v
429 ClO+ chlorine monoxide cation 3ΣC∞v
430 SF Monosulfur monofluoride 2ΠC∞v
431 SF+ sulfur monofluoride cation 3ΣC∞v
432 SCl sulfur monochloride 2ΠC∞v
433 SCl+ sulfur monochloride cation 3ΣgC∞v
434 BrO Bromine monoxide 2ΠC∞v
435 BrO+ Bromine monoxide cation   
436 SeF Selenium monofluoride 2ΠC∞v
437 SBr Sulfur monobromide radical   
438 SBr+ Sulfur monobromide cation   
439 SeCl Selenium monochloride 2ΠC∞v
440 SeBr Selenium monobromide   
441 BrCl Bromine monochloride 1ΣC∞v
442 F2 Fluorine diatomic 1ΣgD∞h
443 F2- flourine diatomic anion 2ΣuD∞h
444 F2+ flourine diatomic cation 2ΠgD∞h
445 ClF Chlorine monofluoride 1Σ+C∞v
446 ClF+ clorine monofluoride cation 2ΠC∞v
447 Cl2 Chlorine diatomic 1ΣgD∞h
448 Cl2- chlorine diatomic anion 2ΣuD∞h
449 Cl2+ chlorine diatomic cation 2ΠgD∞h
450 BrF Bromine monofluoride 1ΣC∞v
451 Br2 Bromine diatomic 1ΣgD∞h
452 Br2- bromine diatomic anion 2ΣuD∞h
453 Br2+ bromine diatomic cation 2ΠgD∞h
454 HCF Fluoromethylene 1A'Cs
455 HCF Fluoromethylene 3A"Cs
456 HSiF fluorosilylene   
457 HSiCl Chlorosilylene   
458 HSiBr monobromosilylene   
459 HOF Hypofluorous acid 1A'Cs
460 HOCl hypochlorous acid 1A'Cs
461 HOCl+ hypochlorous acid cation   
462 HOBr Hypobromous acid 1A'Cs
463 F2H+ Fluorine, protonated 1A'Cs
464 ClFH+ Chlorine fluoride, F-protonated   
465 FClH+ Chlorine fluoride, Cl-protonated   
466 Cl2H+ Chlorine, protonated 1A'Cs
467 CH2Br bromomethyl radical   
468 CH2F fluoromethyl radical 2ACs
469 CH2F+ fluoromethyl cation   
470 CH2Cl+ chloromethyl cation   
471 CH2Cl chloromethyl radical 2A'Cs
472 CH2Cl chloromethyl radical 2B1C2v
473 NH2Cl chloramine 1A'Cs
474 CH3F+ methyl fluoride cation   
475 CD3F methylfluoride-d3 1A1C3v
476 CH3F Methyl fluoride 1A1C3v
477 CH3Cl Methyl chloride 1A1C3v
478 CH3Cl+ Methyl chloride cation   
479 SiH3F monofluorosilane 1A1C3v
480 SiH3Cl chlorosilane 1A1C1
481 CH3Br methyl bromide 1A1C3v
482 GeH3F monofluorogermane   
483 GeH3Cl monochlorogermane   
484 SiH3Br bromosilane 1A1C3v
485 NH3Cl+ protonated monochloroammonia   
486 CH3ClH+ methyl chloride, protonated   
487 NH4Cl Ammonium chloride   
488 LiNe+ Lithium Neon cation   
489 Ne2+ Neon diatomic cation 2ΣuD∞h
490 Ar2 Argon diatomic 1SgD∞h
491 Ar2+ Argon diatomic cation 2ΣuD∞h
492 Li3 Lithium trimer 2B2C2v
493 Li3+ Lithium trimer cation 1A1'D3h
494 C3 carbon trimer 1ΣgD∞h
495 C3 carbon trimer 1A1C2v
496 SiC2 Silicon dicarbide   
497 C3H3 cyclopropenyl radical 2A'Cs
498 C3H4 cyclopropene 1A1C2v
499 CH2CCH2 allene 1A1D2d
500 CH3CCH propyne 1A'C3v
501 C3H5 Allyl radical 2A2C2v
502 C3H5 Allyl radical 2A"Cs
503 C3H6 Cyclopropane 1A1'D3h
504 CH2CHCH3 Propene 1A'Cs
505 C3H7 n-Propyl radical 2A"C1
506 C3H7+ cyclopropane, protonated   
507 CH3CHCH3 Isopropyl radical 2AC2
508 CH3CHCH3+ Isopropyl cation 1AC2
509 C3H8 Propane 1A1C2v
510 Si3H8 trisilane   
511 LiCN lithium cyanide 1ΣC*V LiCN
512 LiCN lithium cyanide 1A'Cs
513 LiCN lithium cyanide 1ΣC*V LiNC
514 NaCN Sodium Cyanide 1ΣC∞v
515 NaCN Sodium Cyanide 1ACs
516 NaCN Sodium Cyanide 1ΣC∞v
517 ZnCN Zinc monocyanide 2ΣC∞v
518 ZnNC Zinc isocyanide 2ΣC∞v
519 AlCN Aluminum monocyanide   
520 AlNC Aluminum isocyanide   
521 CNN Diazocarbene   
522 N3 azide radical 2ΠgD∞h
523 N3+ azide cation 3ΣgD∞h
524 N3+ azide cation 3ΣC∞v
525 HCCN cyanomethylene 3A"Cs
526 HCCN cyanomethylene 3ΣC∞v
527 HCCN cyanomethylene   
528 HN3 hydrogen azide 1A'Cs
529 HN3+ Hydrazoic acid cation   
530 HNCNH diiminomethane 1AC2
531 NH2CN cyanamide 1A1C2v
532 HNNNH+ 1,2-Triazadienium   
533 NH2NN+ hydrazoic acid, protonated   
534 CH3CN Acetonitrile 1A1C3v
535 CH3CN- acetonitrile anion 2EC3v
536 CH3CN- acetonitrile anion 2A'Cs
537 CHNCH2 2H-Azirine   
538 CHNHCH 1H-Azirine   
539 H2CCNH Ethenimine   
540 H2CNCH methyleneaminomethylene   
541 HCCNH2 Ethynamine   
542 HCNCH2+ 2H-Azirine cation   
543 HNCNH2+ diiminomethane, protonated 1A'Cs
544 NCNH3+ Cyanamide, protonated 1A1C3v
545 NH2CNH+ cyanamide, cn protonated   
546 NH3CN+ cyanamide, amine protonated   
547 CH2CHNH vinylazine 2A"CS cis
548 CH2CHNH vinylazine 2A"CS trans
549 C2H5NH+ Protonated Aziridine 1A1C2v
550 C2H6N+ aziridine, protonated 1A1C2v
551 CH3CH2NH2 Ethylamine   
552 CH3PHCH3 dimethylphosphine 1A'Cs
553 (CH3)2NH2+ dimethylammonium cation 1A1C2v
554 CH3CH2NH3+ ethylamine, protonated 1A'Cs
555 Li2O dilithium oxide 1ΣgD∞h
556 Li2S dilithium sulfide 1ΣGD∞h
557 Li2S dilithium sulfide 1A1C2v
558 Na2O disodium monoxide 1ΣgLinear
559 Na2O disodium monoxide 1A1C2v
560 Na2S Sodium sulfide   
561 Na2S Sodium sulfide   
562 LiO2 Lithium dioxide   
563 NaO2 Sodium superoxide   
564 CCO Dicarbon monoxide 3ΣC∞v
565 CCO Dicarbon monoxide 1ΠC∞v
566 NCO isocyanato radical 2ΠC∞v
567 N2O Nitrous oxide 1ΣC∞v
568 N2O- Nitrous oxide anion 2A'Cs
569 CO2 Carbon dioxide 1ΣgD∞h
570 OCS Carbonyl sulfide 1ΣC∞v
571 CS2 Carbon disulfide 1ΣgD∞h
572 CS2- Carbon disulfide anion 2A1C2v
573 TiO2 Titanium dioxide 1A1C2v
574 SiS2 Silicon disulfide 1ΣGD∞h
575 GeO2 Germanium dioxide 1ΣgD∞h
576 OCSe Carbonyl selenide 1ΣC∞v
577 SCSe Carbon sulfide selenide   
578 CSe2 Carbon diselenide 1A1D∞h
579 NO2 Nitrogen dioxide 2A1C2v
580 NO2+ Nitrogen dioxide cation 1ΣGD∞h
581 NSO sulfinyl amidogen   
582 SNO Nitrogen oxide sulfide   
583 O3 Ozone 1A1Cs
584 SO2 Sulfur dioxide 1A1C2v
585 SSO Disulfur monoxide 1A'Cs
586 S3 Sulfur trimer 1A1C2v
587 S3 Sulfur trimer   
588 S3+ Sulfur trimer cation 2B2C2v
589 SeO2 Selenium dioxide 1A1C2v
590 SeO2+ Selenium dioxide cation 2A1C2v
591 HCCO ketenyl radical 2ΠC∞v
592 HCCO ketenyl radical 2A"Cs
593 HCNO fulminic acid 1ΣC∞v
594 HCNO fulminic acid 1A'Cs
595 HNCS Isothiocyanic acid   
596 HNCS Isothiocyanic acid   
597 HSCN thiocyanic acid 1A'Cs
598 HNNO+ Nitrous oxide, N-protonated 1A'Cs
599 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
600 HOCO Hydrocarboxyl radical 1A'cis
601 HOCO Hydrocarboxyl radical 1A'trans
602 O3H+ protonated ozone 1A'Cs
603 O3H+ protonated ozone   
604 SO2H+ protonated sulfur dioxide 1A'Cs
605 C2H2O Oxirene 1A1C2v
606 CH2CO Ketene 1A1C2v
607 CH2CS Thioketene   
608 Be(OH)2 Beryllium hydroxide   
609 Be(OH)2 Beryllium hydroxide   
610 NH2NO Nitrosamide 1AC1
611 H2COO Dioxymethyl radical 2A'Cs
612 H2COO+ dioxymethyl cation 2A'Cs
613 HCOOH Formic acid 1A'Cs
614 HCOOH Formic acid   
615 HSSSH trisulfane 1A'Cs
616 CH2BOH hydroxy(methylene)borane 1A'Cs
617 BH3CO Borane carbonyl 1A1C3v
618 CH3BO Borane, methyloxo- 1A1C3v
619 CH2COH+ ketene, protonated   
620 CH2NOH formaldoxime 1A'Cs
621 CH3NO nitrosomethane 1A'Cs
622 CHONH2 formamide 1A'Planar
623 CHONH2 formamide 1ANon-Planar
624 CNOH3 1,2-oxaziridine 1AC1
625 HOCHNH hydroxymethylimine 1A'CS H all up
626 HOCHNH hydroxymethylimine 1A'CS CH up
627 CHSNH2 thioformamide   
628 NHCHSH Methanimidothioic acid   
629 C2H4O Ethylene oxide 1A1C2v
630 C2H4O+ ethylene oxide cation   
631 CH3CHO Acetaldehyde 1A'Cs
632 CH3CHO+ acetaldehyde cation   
633 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
634 C2H4S Thiirane 1A1C2v
635 CH2CHSH Ethenethiol   
636 CH3CHS Thioacetaldehyde 1A'C1
637 NH2CHOH+ Formamide, O-protonated   
638 CH3SSH Hydrogen methyl disulfide   
639 HSCH2SH Methanedithiol   
640 C2H4OH+ ethylene oxide, protonated 1A'Cs
641 CH3CHOH 1-hydroxy-ethyl radical 2AC1
642 CH3CHOH+ acetaldehyde, protonated 1A'Cs
643 NH2CH2OH aminomethanol   
644 CH3CH2OH Ethanol 1A'Cs
645 CH3OCH3 Dimethyl ether 1A1C2v
646 CH3CH2SH ethanethiol 1A'Cs
647 CH3CH2SH ethanethiol 1AC1
648 CH3SCH3 Dimethyl sulfide 1A1C2v
649 CH3SCH3+ dimethyl sulfide cation   
650 CH3SeCH3 dimethylselenide 1A1C2v
651 CuF2 Copper difluoride 2ΠgD∞h
652 CNF iso cyanogen fluoride 1ΣC∞v
653 BrCN Cyanogen bromide 1ΣC∞v
654 FBO Boron monofluoride monoxide   
655 BeBr2 Beryllium bromide   
656 CaBr2 Calcium dibromide   
657 FCO Carbonyl fluoride 2A'Cs
658 FCO+ Carbonyl fluoride cation 1ΣC∞v
659 ClCO carbonyl monochloride 2A'Cs
660 BF2 Boron difluoride radical 2A1C2v
661 FNO Nitrosyl fluoride 1A'Cs
662 ClNO Nitrosyl chloride 1A'Cs
663 FNS Thionitrosyl fluoride 1A'Cs
664 FSN Thiazyl fluoride 1A'Cs
665 OPCl Phosphorus oxychloride   
666 CF2 Difluoromethylene 1A1D∞h
667 CFCl chlorofluoromethylene 1A'Cs
668 SiF2 Silicon difluoride 1A1C2v
669 SiF2+ Silicon difluoride cation 2A1C2v
670 GeCl2 Germanium dichloride 1A1C2v
671 CBr2 dibromomethylene 1A1C2v
672 CBr2 dibromomethylene 3B1C2v
673 FOO+ Fluorine dioxide cation   
674 OClO Chlorine dioxide 2B1D∞h
675 OClO- Chlorine dioxide anion 1A'Cs
676 ClSO Sulfur chloride oxide 2A"Cs
677 BrOO Bromine dioxide   
678 OBrO Bromine dioxide radical 2B1C2v
679 PF2 Phosphorus difluoride   
680 PF2+ Phosphorus difluoride cation   
681 FClO chlorosyl fluoride 1A'Cs
682 ClOF Chlorine hypofluorite 1A'Cs
683 SF2 sulfur difluoride 1A1C2v
684 SeF2 Selenium difluoride   
685 SeCl2 Selenium Dichloride   
686 SBr2 Sulfur dibromide   
687 SeBr2 Selenium dibromide   
688 Br3- tribromide anion   
689 SFCl Sulfur chloride fluoride   
690 HCCF Fluoroacetylene 1ΣC∞v
691 HCCCl Chloroacetylene 1ΣC∞v
692 HCCBr bromoacetylene 1ΣC∞v
693 HFCO+ formyl fluoride cation 2A'Cs
694 CHCl2 dichloromethyl radical 2B1C2v
695 CHCl2 dichloromethyl radical 2A'Cs
696 CHF2 difluoromethyl radical 2ACs
697 CHF2+ difluoromethyl cation   
698 CHFCl Chlorofluoromethyl radical   
699 CHFCl+ Chlorofluoromethyl cation   
700 CHCl2+ dichloromethyl cation   
701 CHBr2 dibromomethyl radical   
702 NHF2 difluoramine   
703 NHCl2 dichloroamine   
704 CH2F2 Methane, difluoro- 1A1C2v
705 SiH2F2 difluorosilane   
706 CH2Cl2 Methylene chloride 1A1C2v
707 CH2BrF Methane, bromofluoro- 1A'Cs
708 CH2BrCl Methane, bromochloro- 1A'Cs
709 CH2Br2 dibromomethane 1A1C2v
710 SiH2Cl2 dichlorosilane 1A1C2v
711 CH3MgBr Methyl Magnesium Bromide   
712 CH2CHF Ethene, fluoro- 1A'Cs
713 CH2FOH fluoromethanol   
714 CH2CH2Cl 2-chloroethyl radical 2A'Cs
715 CHClCH3 1-chloroethyl radical 2AC1
716 C2H5Br Ethyl bromide 1A'Cs
717 B4H10 Tetraborane(10) 1A1C2v
718 C4 Carbon tetramer 3ΣgD∞h
719 C4 Carbon tetramer   
720 C4H2 Diacetylene 1ΣgD∞h
721 C4H2+ diacetlyene cation 2ΠgD∞h
722 C4H4 Tetrahedrane   
723 C4H6 1-Methylcyclopropene 1AC1
724 CHCCH2CH3 1-Butyne 1A'Cs
725 CH3CHCHCH2 methylallyl radical 2A"Cs
726 C4H8 methylcyclopropane 1A'Cs
727 CH2CHCH2CH3 1-Butene 1AC1
728 CH3CH2CH2CH3 Butane 1AgAnti
729 CH3CH2CH2CH3 Butane 1AGauche
730 Li3N trilithium nitride 1A'D3h
731 Li3N trilithium nitride 1A1C3v
732 C2N2 Cyanogen 1ΣgD∞h
733 As4 Arsenic tetramer 1A1Td
734 HCCCN+ Cyanoacetylene cation 2ΠC∞v
735 H2CNCN cyanamide, methylene   
736 HNCCNH Ethenediimine   
737 C3H3N+ acrylonitrile cation 2A"Cs
738 CH3N3 methyl azide 1A'Cs
739 NH2CCNH2 Diaminoacetylene 1AC2
740 NH2CH2CN Aminoacetonitrile 1A'Cs
741 CH3NHN2+ methyl azide, protonated 1AC1
742 C2H5CN ethyl cyanide 1A'Cs
743 C4H6 Bicyclo[1.1.0]butane 1A1C2v
744 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
745 H2NCHCHNH2 diaminoethylene   
746 CH7N3 triaminomethane   
747 C4H8 cyclobutane 1A1D2d
748 NH2CH2CH2CH3 1-Propanamine 1A'Cs
749 P(CH3)3 trimethylphosphine 1A1C3v
750 N(SiH3)3 trisilylamine   
751 (CH3)3NH+ protonated trimethyl amine   
752 C3H7NH3+ n-propylamine, protonated 1A'Cs
753 C3O Tricarbon monoxide 1ΣC∞v
754 ONNO NO dimer 1Agtrans C2H
755 ONNO NO dimer 1A1cis C2V
756 S2N2 Disulfur dinitride 1AGD2h
757 CS3-- Carbonotrithioate   
758 NO3- nitrate anion 1A1'D3h
759 SO3 Sulfur trioxide 1A1'D3h
760 SO3-- Sulfate dianion   
761 S4 Sulfur tetramer   
762 S4 Sulfur tetramer   
763 S4 Sulfur tetramer   
764 HNO3 Nitric acid 1A'Cs
765 NH2NO2 nitramide 1A'Cs
766 C3H2O Propadienal   
767 C3H2O Propadienal   
768 C2H2O2 Ethanedial 1AgC2h
769 H2SO3 Sulfurous acid 1A'Cs
770 C2H3NO Nitrosoethylene   
771 CH3NCO methylisocyante   
772 HOCH2CN cyanomethanol   
773 CH3NO2 Methane, nitro- 1A'Cs
774 NH2COOH Carbamic acid 1A'Cs
775 NH2COOH Carbamic acid 1AC1
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 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
792 C3H5OH Cyclopropanol 1AC1
793 C3H6O 2-Propen-1-ol 1AC1
794 C3H6O Acetone enol 1A'Cs
795 C3H6O Oxetane 1A1C2v
796 C3H6O Oxetane 1A'Cs
797 CH3CH2CHO Propanal 1A'Cs
798 CH3COCH3 Acetone 1A1C2v
799 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
800 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
801 C3H7OH 1-Propanol   
802 CH3OC2H5 Ethane, methoxy- 1A'Cs
803 Li2F2 Lithium fluoride dimer   
804 FNO2 Nitryl fluoride 1A1C2v
805 FONO Nitrosyl hypofluorite 1A'CS cis
806 ClONO chlorine nitrite 1A'CS cis
807 CF2O Carbonic difluoride 1A1C2v
808 CF2O+ Carbonic difluoride cation   
809 BF3+ boron trifluoride cation 2B2C2v
810 BF3+ boron trifluoride cation   
811 BClF2 Chlorodifluoroborane   
812 ScF3 Scandium trifluoride 1A1'D3h
813 BCl3 Borane, trichloro- 1A1'D3h
814 BCl3+ Boron Trichloride cation   
815 GaF3 Gallium trifluoride 1A1'D3h
816 GaCl3 Gallium trichloride 1A1'D3h
817 CF3- Trifluoromethyl anion 1A1C3v
818 CF3+ Trifluoromethyl cation 1A1'D3h
819 CF2Cl difluorochloromethyl radical   
820 SiF3 Silicon trifluoride radical 2A1C3v
821 SiF3+ Silicon trifluoride cation 1A1'D3h
822 CFCl2 dichlorofluoromethyl radical   
823 CBr3 tribromomethyl radical   
824 ClO2F Chloryl fluoride 1A'Cs
825 ClOOCl Dichlorine dioxide 1AC2
826 SSCl2 Thiothionyl chloride   
827 NF3 Nitrogen trifluoride 1A1C3v
828 NCl3 nitrogen trichloride 1A1C3v
829 AsCl3 Arsenous trichloride 1A1C3v
830 NBr3 Nitrogen Tribromide 1A1C3v
831 ClF3 Chlorine trifluoride 1A1'D3h
832 ClF3 Chlorine trifluoride 1A1C2v
833 HClO3 Chloric Acid 1A'Cs
834 HClO3 Chloric Acid 1AC1
835 CHF3 Methane, trifluoro- 1A1C3v
836 SiHF3 trifluorosilane   
837 CHBrF2 Methane, bromodifluoro- 1A'Cs
838 CHFClBr fluorochlorobromomethane 1AC1
839 CHBrCl2 Methane, bromodichloro- 1A'Cs
840 CHBr2F dibromofluoromethane   
841 NF3H+ protonated nitrogen trifluoride 1A1C3v
842 AsF3H+ Arsenic trifluoride, protonated   
843 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
844 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
845 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
846 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
847 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
848 C2H4F2 1,2-difluoroethane 1AgC2H anti
849 C2H4F2 1,2-difluoroethane 1AC2 gauche
850 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
851 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
852 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
853 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
854 CH2BrCH2Cl 1-bromo-2-chloroethane   
855 CH2BrCH2Cl 1-bromo-2-chloroethane   
856 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
857 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
858 CH2CHCH2F Allyl Fluoride   
859 CH2CHCH2F Allyl Fluoride   
860 CH3CHCHF trans-1-Fluoro-1-propene   
861 CH2FCH2OH 2-fluoroethanol   
862 CH2ClCH2OH 2-Chloroethanol 1A'Cs
863 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
864 CH2FCH2CH3 1-Fluoropropane 1A'Cs
865 CH2FCH2CH3 1-Fluoropropane   
866 CH3CHFCH3 2-Fluoropropane 1A'Cs
867 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
868 B5H9 pentaborane9   
869 C5H4 pentatetraene   
870 C5H6 Propellane 1A1D3h
871 C5H8 Bicyclo[1.1.1]pentane   
872 C5H8 Ethenylcyclopropane 1A'Cs
873 CH2N4 1H-Tetrazole 1A'Cs
874 C3H3N2 imidazolyl radical 2B1C2v
875 C3H3N2- imidizolyl anion 1A1C2v
876 C4H4N pyrrolide radical 2A2C2v
877 C4H4N- pyrrolide anion 1A1C2v
878 C3H4N2 1H-Imidazole 1A'Cs
879 C3H4N2 2H-Imidazole 1A1C2v
880 C3H4N2 4H-Imidazole 1A'Cs
881 C4H5N Pyrrole 1A1C2v
882 C4H6N+ pyrrole, alpha-protonated 1A'Cs
883 C4H6N+ pyrrole, beta-protonated 1A'Cs
884 C4H6N+ pyrrole, protonated 1A1C2v
885 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
886 CH3CH2CH2CN Butanenitrile 1A'Cs
887 NH(C2H5)2 diethylamine 1A'Cs
888 C3O2 Carbon suboxide 1ΣGD∞h
889 B2O3 diboron trioxide   
890 B2O3 diboron trioxide   
891 MgCO3 Magnesium Carbonate 1A1C2v
892 BeCO3 Beryllium Carbonate 1A1C2v
893 HSO4- bisulfate anion 1A'Cs
894 CHOOCHO diformyl ether   
895 C3H3NO Isoxazole 1A'Cs
896 C3H3NO Oxazole 1A'Cs
897 C3H3NS Thiazole   
898 C4H4O Furan 1A1C2
899 CH3COCCH 3-butyn-2-one 1A'Cs
900 C4H4Se selenophene   
901 CH3OCH2CN Methoxyacetonitrile 1A'Cs
902 CH3OCH2CN Methoxyacetonitrile 1AC1
903 CH3SO2NH2 methanesulfonamide 1A'Cs
904 CH2CHSCHCH2 Divinyl sulfide   
905 CH3CH2COOH Propanoic Acid 1A'Cs
906 HCOOC2H5 Ethyl formate 1A'Cs
907 C2H6O2S Dimethyl sulfone 1A1C2v
908 C4H8S Thiophene, tetrahydro- 1AC1
909 C4H10O 1-Butanol 1A'Cs
910 C4H10O Ethoxy ethane 1A1C2v
911 C4H10O Methyl propyl ether 1AC1
912 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
913 C4H9SH 1-Butanethiol   
914 BrONO2 Bromine nitrate 1A'Cs
915 CF3Cl Methane, chlorotrifluoro- 1A1C3v
916 CF2Cl2 difluorodichloromethane 1A1C2v
917 TiF4 Titanium tetrafluoride 1A1Td
918 CF3Br Bromotrifluoromethane 1A1C3v
919 GeF4 Germanium tetrafluoride 1A1Td
920 CCl4 Carbon tetrachloride 1A1Td
921 CBrCl2F bromodichlorofluoromethane   
922 CBr2ClF dibromochlorofluoromethane   
923 CBr2Cl2 dibromodichloromethane 1A1C2v
924 CFBr3 fluorotribromomethane 1A1C3v
925 CBr3Cl tribromochloromethane 1A1C3v
926 CBr4 Carbon tetrabromide 1A1Td
927 SiBr4 Silicon tetrabromide 1A1Td
928 GeBr4 Germanium tetrabromide   
929 ClOF3 Chlorine trifluoride oxide 1A'Cs
930 SF4 Sulfur tetrafluoride 1A1C2v
931 SeF4 Selenium tetrafluoride   
932 SCl4 Sulfur tetrachloride   
933 CH2ClCCCl 1,3-dichloropropyne   
934 CHCl2CCH 3,3-dichloropropyne   
935 CHCl2CHO dichloroacetaldehyde   
936 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
937 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
938 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
939 SiH3CCl3 (trichloromethyl)silane 1A1C3v
940 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
941 CH2FCH2CH2F 1,3-difluoropropane   
942 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
943 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
944 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
945 C2H2N2O Furazan   
946 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
947 NH3BF3 Amminetrifluoroboron 1A1C3v
948 C6H2 hexatriyne 1ΣgD∞h
949 C6H6 Prismane   
950 C6H6 1,2,4,5-Hexatetraene 1AgC2h
951 C6H6 Benzene 1A1gD6h
952 C6H6 Benzvalene 1A1C2v
953 C6H6 Dewar Benzene   
954 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
955 C6H6 Trimethylenecycopropane 1A'D3h
956 C6H7+ benzene, protonated 1A1C2v
957 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
958 C6H10 1,5-Hexadiene 1AgC2
959 C6H10 3-Hexyne 1A1C2v
960 C6H12 (E)-hex-3-ene 1AGCi
961 C6H12 (Z)-hex-3-ene 1AC2
962 C6H12 2,3-dimethylbut-1-ene 1A'C2
963 C6H12 hex-1-ene 1A'Cs
964 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
965 C4H2N2 Fumaronitrile 1AgC2h
966 C5H6N+ Pyridinium 1A1C2v
967 MgSO4 Magnesium Sulfate 1A1C2v
968 N2O4 Dinitrogen tetroxide 1AgD2d
969 C3H2O3 vinylene carbonate   
970 C2H2O4 Oxalic Acid 1AgC2h
971 C2H4N2S2 Ethanedithioamide 1AGC2h
972 C2H4CO3 Ethylene carbonate 1A1C2v
973 C2H4CO3 Ethylene carbonate 1AC2
974 C2H4O4 Formic acid dimer 1AGC2h
975 C2H5NO3 Nitric acid, ethyl ester 1A'C1
976 C5H6O 2H-Pyran   
977 C5H6O Pentadienal   
978 C4H6O2 γ–Butyrolactone 1AC1
979 C3H6O3 1,3,5-Trioxane 1A1C1
980 C3H6S3 1,3,5-Trithiane 1A1C3v
981 C5H8O Cyclopentanone 1AC2
982 C5H8O Methyl cyclopropyl ketone 1A'Cs
983 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
984 C4H8O2 Ethyl acetate 1A'Cs
985 C5H10O 2-methylbutyraldehyde 1AC1
986 C5H10O 3-Pentanone 1A1C2v
987 C4F2 difluorobutadiyne   
988 ClCOClCO Oxalyl chloride 1AGC2h
989 B2Cl4 Diboron tetrachloride 1A1D2
990 C2ClF3 Ethene, chlorotrifluoro-   
991 CF2CCl2 difluorodichloroethylene 1A1C2v
992 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
993 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
994 C2Br4 tetrabromoethene   
995 CF3OF Trifluoromethylhypofluorite 1A'Cs
996 SiF5- silicon pentafluoride anion   
997 SOF4 Sulfur tetrafluoride oxide 1A1C2v
998 PF5 Phosphorus pentafluoride 1A1'D3h
999 SF5+ pentafluoro sulfur cation 1A1'D3h
1000 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1001 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1002 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1003 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1004 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1005 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1006 CF3COOH trifluoroacetic acid 1A'Cs
1007 C4H3ClO Furan, 2-chloro 1A'Cs
1008 C4H3ClO Furan,3-chloro 1A'Cs
1009 C4H8O2 Butanoic acid 1AC1
1010 C7H7 cycloheptatrienyl radical 2A2C2v
1011 C7H7+ cycloheptatrienyl cation 1A1'D7h
1012 CH(CN)3 tricyanomethane   
1013 HN=C=C(CN)2 Dicyanoketenimine   
1014 C5H4O2 furfural 1A'OCCO cis
1015 C5H4O2 furfural 1A'OCCO trans
1016 C6H6O 2,5-Cyclohexadienone 1A1C2v
1017 HO2CCHNH2CH2OH Serine 1AC1
1018 C5H8O2 Acetylacetone 1AC2
1019 C7H10 Norbornene   
1020 C6H12O Oxepane   
1021 F2CCCF2 tetrafluoroallene   
1022 CF3COO- trifluoro acetate anion 1A'Cs
1023 CF3COF trifluoroacetyl fluoride 1A'Cs
1024 PF6 Hexafluorophosphate neutral 2B2C2v
1025 PF6- Hexafluorophosphate ion 1A1GOh
1026 SF6 Sulfur Hexafluoride 1A1GOh
1027 SeF6 Selenium hexafluoride 1A1GOh
1028 SF5Cl sulfur chloropentafluoride 1A1C4v
1029 CF3CHF2 pentafluoroethane 1A'Cs
1030 C8H6 Calicene 1A1C2v
1031 C8H8 cubane 1A1GOh
1032 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1033 C8H16 cyclooctane 1A1D4d
1034 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1035 C6H12N2 Triethylenediamine 1A1D3
1036 S4N4 Tetrasulfur tetranitride   
1037 C6H5CHO benzaldehyde 1A'Cs
1038 C5H9NO2 Proline 1AC1
1039 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1040 C2Cl6 hexachloroethane 1A1gD3d
1041 C6H4F2 1,4-difluorobenzene 1AgD2h
1042 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1043 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1044 C6H4Cl2 1,4-dichlorobenzene   
1045 C6H5NO nitrosobenzene 1A'Cs
1046 C9H20 Nonane 1A1C2v
1047 C(CN)4 tetracyanomethane 1A1Td
1048 C3H3N3O3 cyanuric acid 1A1'D3h
1049 C3F6 hexafluoropropene   
1050 C6H3F3 Benzene trifluoride 123 1A1C2v
1051 C8H18O 1-Octanol   
1052 C10H8 Azulene 1A1C2v
1053 C10H8 naphthalene 1AgD2h
1054 C10H10 bullvalene   
1055 C10H22 Decane 1AGC2h
1056 B12H12-- Dodecahydrododecaborate(2-)   
1057 C12H8 biphenylene 1AgD2h
1058 C6H12O6 Inositol 1A1GD3d
1059 S2F10 disulphur decafluoride   
1060 C13H10 Fluorene   
1061 C14H14 Bibenzyl 1AC2
1062 C12H10N2 azobenzene 1AGC2h
1063 C6H5COC6H5 benzophenone 1AC2
1064 C19H16 Triphenylmethane 1AC3
1065 C24H12 Coronene 1A1GD6h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Li Lithium atom li  
11 Li+ Lithium atom cation li+  
12 Na Sodium atom na  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH Lithium Hydride lih  
22 LiH- lithium hydride anion lih-  
23 NaH sodium hydride nah  
24 NaH- sodium hydride anion nah-  
25 KH Potassium hydride kh  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be Beryllium atom be  
29 Be- Beryllium atom anion be-  
30 Be+ Beryllium atom cation be+  
31 Mg Magnesium atom mg  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH- magnesium monohydride anion mgh-  
43 MgH+ magnesium monohydride cation mgh+  
44 CaH+ Calcium monohydride cation cah+  
45 ZnH Zinc monohydride znh  
46 BeH2 beryllium dihydride beh2  
47 CaH2 Calcium Hydride cah2  
48 ZnH2 Zinc hydride znh2  
49 B Boron atom b  
50 B- Boron atom anion b-  
51 B+ Boron atom cation b+  
52 BH- boron monohydride anion bh-  
53 BH+ boron monohydride cation bh+  
54 AlH aluminum monohydride alh  
55 AlH- aluminum monohydride anion alh-  
56 AlH+ aluminum monohydride cation alh+  
57 BH2 boron dihydride bh2  
58 BH2+ Boron dihydride cation bh2+  
59 AlH2 aluminum dihydride alh2  
60 AlH2- aluminum dihydride anion alh2-  
61 AlH2+ aluminum dihydride cation alh2+  
62 BH3 boron trihydride bh3  
63 BH3- boron trihydride anion bh3-  
64 AlH3+ aluminum trihydride cation alh3+  
65 GaH3 Gallium trihydride gah3  
66 AlH4- Aluminum tetrahydride anion alh4-  
67 C- Carbon atom anion c-  
68 C+ Carbon atom cation c+  
69 Si+ Silicon atom cation si+  
70 Ti Titanium atom ti  
71 Ti- Titanium atom anion ti-  
72 Ti+ Titanium atom cation ti+  
73 Sn Tin atom sn  
74 Sn+ Tin cation sn+  
75 CH- methylidyne anion ch-  
76 CH+ Methylidyne cation ch+  
77 SiH- silicon monohydride anion sih-  
78 SiH2 silicon dihydride sih2  
79 SiH2- silicon dihydride anion sih2-  
80 SiH2+ silicon dihydride cation sih2+  
81 SiH3- Silyl anion sih3-  
82 CD4 methane-d4 cd4  
83 CH2D2 methane-d2 ch2d2  
84 CH3D methane-d ch3d  
85 CH4+ Methane cation ch4+  
86 CHD3 methane-d3 chd3  
87 SiH4+ Silane cation sih4+  
88 SnH4 Stannane snh4  
89 N- Nitrogen atom anion n-  
90 N+ Nitrogen atom cation n+  
91 P- Phosphorus atom anion p-  
92 P+ Phosphorus atom cation p+  
93 Sb Antimony atom sb  
94 NH Imidogen nh  
95 NH- Imidogen anion nh-  
96 NH+ imidogen cation nh+  
97 PH- phosphorus monohydride anion ph-  
98 PH+ phosphorus monohydride cation ph+  
99 SbH Antimony monohydride sbh  
100 ND2 Amidogen-d2 nd2  
101 NH2- amino anion nh2-  
102 PH2 Phosphino radical ph2  
103 PH2- Phosphino anion ph2-  
104 PH2+ Phosphino cation ph2+  
105 AsH2 Arsenic dihydride ash2  
106 AsH2+ Arsenic dihydride cation ash2+  
107 ND3 Ammonia-d3 nd3  
108 SbH3 Stibine sbh3  
109 O- Oxygen atom anion o-  
110 O+ Oxygen atom cation o+  
111 Cr Chromium atom cr  
112 Te Tellurium atom te  
113 Te+ Tellurium atom cation te+  
114 DO Hydroxyl-d od  
115 DS Mercapto-d ds  
116 TeH Telluryl radical teh  
117 D2O Deuterium oxide d2o  
118 D2S Hydrogen sulfide-d2 d2s  
119 H2Te Hydrogen Telluride h2te  
120 Mn Manganese atom mn  
121 I Iodine atom iodine  
122 I- Iodine atom anion iodine-  
123 I+ Iodine atom cation iodine+  
124 DF Hydrofluoric acid-d df  
125 DCl Hydrochloric acid-d dcl  
126 HI Hydrogen iodide hi  
127 HI+ Hydrogen iodide cation hi+  
128 H2F+ dihydrogen fluoride cation h2f+  
129 H2I+ Iodonium h2i+  
130 Ne- Neon atom anion ne-  
131 Ne+ Neon atom cation ne+  
132 Ar Argon atom ar  
133 Ar- Argon atom anion ar-  
134 Ar+ Argon atom cation ar+  
135 Fe Iron atom fe  
136 Xe Xenon atom xe  
137 NeH+ neon hydrogen cation neh+  
138 XeH+ Xenon, protonated xeh+  
139 Co Cobalt atom cobalt  
140 Ni Nickel atom ni  
141 Li2 Lithium diatomic li2  
142 Li2- lithium diatomic anion li2-  
143 NaLi- lithium sodium anion lina-  
144 NaLi+ lithium sodium cation lina+  
145 LiK Lithium Potassium lik  
146 NaK Sodium Potassium nak  
147 NaK+ Sodium Potassium diatomic cation nak+  
148 K2 Potassium diatomic k2  
149 Cu2 Copper diatomic cu2  
150 LiBe Lithium Beryllium libe  
151 LiMg Lithium magnesium limg  
152 NaBe Sodium Beryllium nabe  
153 NaMg Sodium Magnesium namg  
154 Be2- Beryllium diatomic anion be2-  
155 Be2+ Beryllium diatomic cation be2+  
156 Mg2 Magnesium diatomic mg2  
157 Mg2- magnesium diatomic anion mg2-  
158 Mg2+ magnesium diatomic cation mg2+  
159 Ca2 Calcium diatomic ca2  
160 B2- Boron diatomic anion b2-  
161 Al2 Aluminum diatomic al2  
162 Al2- aluminum diatomic anion al2-  
163 Al2+ aluminum diatomic cation al2+  
164 LiBH4 Lithium borohydride libh4  
165 BC- boron monocarbide anion bc-  
166 BC+ boron monocarbide cation bc+  
167 C2- carbon diatomic anion c2-  
168 SiC- silicon monocarbide anion sic-  
169 SiC+ silicon monocarbide cation sic+  
170 Si2 Silicon diatomic si2  
171 Si2- silcon diatomic anion si2-  
172 Si2+ silcon diatomic cation si2+  
173 Ge2 Germanium diatomic ge2  
174 C2H+ Ethynyl cation c2h+  
175 ZnCH2 Zinc methylene znch2  
176 CCH2 vinylidene vinylidene  
177 CuCH3 monomethyl copper cuch3  
178 ZnCH3 Zinc monomethyl znch3  
179 CH3CH methylmethylene ch3ch  
180 CH2SiH2 silaethylene ch2sih2  
181 C2H5- Ethyl anion c2h5-  
182 C2H5+ Ethyl cation c2h5+  
183 C2H6+ ethane cation c2h6+  
184 CH3SiH3 methyl silane ch3sih3  
185 GeH3CH3 methyl germane geh3ch3  
186 C2H7+ Ethane, protonated c2h7+  
187 LiN+ Lithium Nitride cation lin+  
188 BeN- Beryllium mononitride anion ben-  
189 BN- boron nitride anion bn-  
190 AlN- aluminum mononitride anion aln-  
191 AlN+ aluminum mononitride cation aln+  
192 BN+ boron nitride cation bn+  
193 AlN Aluminum nitride aln  
194 CN+ Cyano cation cn+  
195 CP Carbon monophosphide cp  
196 CP- carbon monophosphide anion cp-  
197 CP+ carbon monophosphide cation cp+  
198 SiN Silicon nitride sin  
199 SiN- silicon mononitride anion sin-  
200 SiN+ silicon mononitride cation sin+  
201 SiP- Silicon monophosphide anion sip-  
202 SiP+ Silicon monophosphide cation sip+  
203 TiN Titanium mononitride tin  
204 PN- phosphorus nitride anion pn-  
205 PN+ phosphorus nitride cation pn+  
206 P2- phosphorus diatomic anion p2-  
207 P2+ phosphorus diatomic cation p2+  
208 AsN Arsenic mononitride asn  
209 AsP Arsenic monophosphide asp  
210 SbN Antimony nitride sbn  
211 As2 Arsenic diatomic as2  
212 HNB hydrogen nitrogen boron hnb  
213 HNC hydrogen isocyanide hnc  
214 HCN- Hydrogen cyanide anion hcn-  
215 HCP Phosphaethyne hcp  
216 NNH Dinitrogen monohydride nnh  
217 HPO Hydrogen phosphorus oxide hpo  
218 HPO+ Hydrogen phosphorus oxide cation hpo+  
219 CNH2+ N-protonated hydrogen isocyanide cnh2+  
220 H2CN+ hydrocyanonium cation h2cn+  
221 HCNH+ N-protonated HCN hcnh+  
222 P2H4 Diphosphine p2h4  
223 CH3PH2 Methyl phosphine ch3ph2  
224 CH3NH3+ protonated methylamine ch3nh3+  
225 LiO- lithium oxide anion lio-  
226 LiO+ lithium oxide cation lio+  
227 NaO- sodium oxide anion nao-  
228 NaO+ sodium oxide cation nao+  
229 KO Potassium monoxide ko  
230 KO+ Potassium monoxide cation ko+  
231 CuO Copper Monoxide cuo  
232 BeO beryllium oxide beo  
233 BeO- Beryllium monoxide anion beo-  
234 BeS beryllium sulfide bes  
235 MgO magnesium oxide mgo  
236 MgO- magnesium oxide anion mgo-  
237 MgO+ magnesium oxide cation mgo+  
238 MgS magnesium sulfide mgs  
239 MgS- magnesium sulfide anion mgs-  
240 MgS+ magnesium sulfide cation mgs+  
241 ZnO zinc monoxide zno  
242 ZnS Zinc sulfide zns  
243 BeS- Beryllium monosulfide anion bes-  
244 BeS+ Beryllium monosulfide cation bes+  
245 BO- boron monoxide anion bo-  
246 AlO Aluminum monoxide alo  
247 AlO- Aluminum monoxide anion alo-  
248 AlO+ aluminum monoxide cation alo+  
249 BS boron sulfide bs  
250 BS- boron monosulfide anion bs-  
251 BS+ boron monosulfide cation bs+  
252 AlS Aluminum sulfide als  
253 AlS- aluminum monosulfide anion als-  
254 AlS+ aluminum monosulfide cation als+  
255 BO+ boron monoxide cation bo+  
256 CS carbon monosulfide cs  
257 CS- carbon monosulfide anion cs-  
258 CS+ carbon monosulfide cation cs+  
259 SiO- silicon monoxide anion sio-  
260 SiO+ silicon monoxide cation sio+  
261 SiS- silicon monosulfide anion sis-  
262 SiS+ silicon monosulfide cation sis+  
263 CSe- Carbon monoselenide anion cse-  
264 CSe+ Carbon monoselenide cation cse+  
265 NS- nitrogen sulfide anion ns-  
266 NS+ nitrogen sulfide cation ns+  
267 PO- phosphorus monoxide anion po-  
268 PO+ phosphorus monoxide cation po+  
269 PS- phosphorus monosulfide anion ps-  
270 PS+ phosphorus monosulfide cation ps+  
271 AsO Arsenic monoxide aso  
272 SO- sulfur monoxide anion so-  
273 S2- sulfur diatomic anion s2-  
274 S2+ sulfur diatomic cation s2+  
275 SeO- selenium monoxide anion seo-  
276 SeO+ selenium monoxide cation seo+  
277 SeS Selenium monosulfide ses  
278 SeS- selenium monosulfide anion ses-  
279 SeS+ selenium monosulfide cation ses+  
280 TeO Tellurium monoxide teo  
281 Se2- selenium diatomic anion se2-  
282 Se2+ selenium diatomic cation se2+  
283 Te2 Tellurium diatomic te2  
284 NaOH sodium hydroxide naoh  
285 KOH Potassium hydroxide koh  
286 MgOH magnesium hydroxide mgoh  
287 CaOH Calcium monohydroxide caoh  
288 HCS Thioformyl radical hcs  
289 HCS- Thioformyl anion hcs-  
290 HCS+ Thioformyl cation hcs+  
291 HNO- Nitrosyl hydride anion hno-  
292 HNS Sulfur imide hns  
293 HNS- Sulfur imide anion hns-  
294 HO2- Hydroperoxy anion ho2-  
295 HS2 Thiosulfeno radical hs2  
296 HOCH hydroxycarbene hoch  
297 CH3O Methoxy radical ch3o  
298 CH3S thiomethoxy ch3s  
299 NH3O Ammonia Oxide nh3o  
300 H2POH Phosphinous acid h2poh  
301 H3PO Phosphine oxide h3po  
302 H3O2+ hydrogen peroxide, protonated h3o2+  
303 CH3SeH Methane selenol ch3seh  
304 CH3OH2+ Methanol, protonated ch3oh2+  
305 H2ONH3 Water Ammonia Dimer h2onh3  
306 LiCl- lithium chloride anion licl-  
307 LiCl+ lithium chloride cation licl+  
308 NaF- sodium fluoride anion naf-  
309 KF Potassium Fluoride kf  
310 NaCl- sodium chloride anion nacl-  
311 NaCl+ sodium chloride cation nacl+  
312 KCl Potassium Chloride kcl  
313 CuF Copper monofluoride cuf  
314 LiBr- lithium bromide anion libr-  
315 LiBr+ lithium bromide cation libr+  
316 CuCl Copper monochloride cucl  
317 NaBr Sodium Bromide nabr  
318 NaBr- sodium bromide anion nabr-  
319 NaBr+ sodium bromide cation nabr+  
320 KBr Potassium Bromide kbr  
321 LiI Lithium Iodide lii  
322 NaI Sodium Iodide nai  
323 KI Potassium Iodide ki  
324 LiF- lithium fluoride anion lif-  
325 BeF Beryllium monofluoride bef  
326 BeF- Beryllium monofluoride anion bef-  
327 BeF+ Beryllium monofluoride cation bef+  
328 BeCl beryllium monochloride becl  
329 MgF Magnesium monofluoride mgf  
330 MgF- magnesium fluoride anion mgf-  
331 CaF Calcium monofluoride caf  
332 MgCl magnesium monochloride mgcl  
333 MgCl- magnesium monochloride anion mgcl-  
334 MgCl+ magnesium monochloride cation mgcl+  
335 CaCl calcium monochloride cacl  
336 ZnF- Zinc monofluoride anion znf-  
337 ZnF+ Zinc monofluoride cation znf+  
338 ZnCl Zinc monochloride zncl  
339 BeCl- beryllium monochloride anion becl-  
340 BeCl+ beryllium monochloride cation becl+  
341 BF- Boron monofluoride anion bf-  
342 BF+ Boron monofluoride cation bf+  
343 AlF- Aluminum monofluoride anion alf-  
344 AlF+ Aluminum monofluoride cation alf+  
345 BCl boron monochloride bcl  
346 BCl- boron monochloride anion bcl-  
347 BCl+ boron monochloride cation bcl+  
348 AlCl- aluminum monochloride anion alcl-  
349 AlCl+ aluminum monochloride cation alcl+  
350 BBr Boron monobromide bbr  
351 AlI Aluminum monoiodide ali  
352 CF- carbon monofluoride anion cf-  
353 CF+ carbon monofluoride cation cf+  
354 CCl carbon monochloride ccl  
355 CCl- carbon monochloride anion ccl-  
356 CCl+ carbon monochloride cation ccl+  
357 SiF- silicon monofluoride anion sif-  
358 SiCl- silicon monochloride anion sicl-  
359 SiCl+ silicon monochloride cation sicl+  
360 NF nitrogen fluoride nf  
361 NF- nitrogen monofluorine anion nf-  
362 NF+ nitrogen monofluoirde cation nf+  
363 NCl- nitrogen monochloride anion ncl-  
364 NCl+ nitrogen monochloride cation ncl+  
365 PF phosphorus monofluoride pf  
366 PF- phosphorus monofluoride anion pf-  
367 PF+ phosphorus monofluoride cation pf+  
368 PCl phosphorus chloride pcl  
369 PCl- phosphorus monochloride anion pcl-  
370 PCl+ phosphorus monochloride cation pcl+  
371 SbF Antimony monofluoride sbf  
372 SbCl Antimony monochloride sbcl  
373 FO- flourine oxide anion fo-  
374 FO+ fluorine monoxide cation fo+  
375 ClO- chlorine monoxide anion clo-  
376 SF- sulfur monofluoride anion sf-  
377 SCl- sulfur monochloride anion scl-  
378 BrO- Bromine monoxide anion bro-  
379 IO Iodine monoxide io  
380 ClF- clorine monofluoride anion clf-  
381 BrF- bromine fluoride anion brf-  
382 BrF+ bromine fluoride cation brf+  
383 BrCl- bromine chloride anion brcl-  
384 BrCl+ bromine chloride cation brcl+  
385 IF Iodine monofluoride if  
386 ICl Iodine monochloride icl  
387 IBr Iodine monobromide ibr  
388 I2 Iodine diatomic i2  
389 I2+ Iodine diatomic cation i2+  
390 HCCl Chloromethylene hccl  
391 CHBr bromomethylene chbr  
392 DOCl Hypochlorous acid-d docl  
393 HOI Hypoiodous acid hoi  
394 FHF Hydrogen difluoride fhf  
395 FHF- Hydrogen difluoride anion fhf-  
396 NH2F monofluoroamine nh2f  
397 H2F2 Hydrogen fluoride dimer h2f2  
398 CD3Cl methyl chloride d3 cd3cl  
399 CH3I methyl iodide ch3i  
400 SiH3I Silyl Iodide sih3i  
401 Ne2 Neon diatomic ne2  
402 C3+ carbon trimer cation c3+  
403 C3H3 Propargyl radical propargyl  
404 C3H3- Propargyl anion c3h3-  
405 C3H3+ cyclopropenyl cation cpr+  
406 C3H3+ Propargyl cation c3h3+  
407 C3H5+ Allyl cation allyl+  
408 Zn(CH3)2 dimethyl zinc dmz  
409 SiH2(CH3)2 dimethylsilane dms  
410 KCN Potassium cyanide kcn  
411 CuCN Copper cyanide cucn  
412 CN2 3H-Diazirin-3-ylidene cn2  
413 N3- azide anion n3-  
414 HCNN diazomethyl radical hcnn  
415 CH2N2 diazirine ch2n2  
416 CH2NN diazomethane ch2nn  
417 CH3CN+ Acetonitrile cation ch3cn+  
418 CH3NC methyl isocyanide ch3nc  
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 cation cs2+  
444 GeS2 Germanium disulfide ges2  
445 SCTe Carbon sulfide Telluride scte  
446 NO2- Nitrogen dioxide anion no2-  
447 PO2 Phosphorus dioxide po2  
448 PO2- Phosphorus dioxide anion po2-  
449 PO2+ Phosphorus dioxide cation po2+  
450 O3- Ozone anion o3-  
451 O3+ Ozone cation o3+  
452 SO2- Sulfur dioxide anion so2-  
453 SO2+ Sulfur dioxide cation so2+  
454 S3- Sulfur trimer anion s3-  
455 TeO2 Tellurium Dioxide teo2  
456 CS2H+ Carbon disulfide, protonated cs2h+  
457 HNCO Isocyanic acid hnco  
458 HOCN cyanic acid hocn  
459 HCO2- formate anion hco2-  
460 HNNO nitrosoazane hnno  
461 HOCO+ Hydrocarboxyl cation hoco+  
462 HNO2 Nitrous acid hno2  
463 HNO2+ nitrous acid cation hno2+  
464 CH2CO+ Ketene cation ch2co+  
465 HCCOH ethynol hccoh  
466 Mg(OH)2 Magnesium dihydroxide h2mgo2  
467 CH2O2 Dioxirane diox  
468 H2O3 Hydrogen trioxide h2o3  
469 NaOCH3 Sodium methoxide naoch3  
470 CH2CHO Vinyloxy radical ch2cho  
471 CH3CO Acetyl radical ch3co  
472 CH3CO- Acetyl anion ch3co-  
473 CH3CO+ acetyl cation ch3co+  
474 CH2OOH CH2OOH radical ch2ooh  
475 CH3OO methylperoxy radical ch3oo  
476 CH3OO- methylperoxy anion ch3oo-  
477 CH3OO+ methylperoxy cation ch3oo+  
478 CH2CHOH ethenol ch2choh  
479 H2CONH2+ protonated formamide h2conh2+  
480 NH3CHO+ Formamide, N-Protonated nh3cho+  
481 CH2(OH)2 methanediol ch2o2h2  
482 CH3OOH Methyl peroxide ch3ooh  
483 H2OH2CO water formaldehyde dimer h2oh2co  
484 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
485 CH3CH2O Ethoxy radical ethoxy  
486 CH3OCH2 methoxymethyl radical ch3och2  
487 CH3OHH2O methanol water dimer ch3ohh2o  
488 H2OCH3OH water methanol dimer h2och3oh  
489 ZnF2 Zinc difluoride znf2  
490 FCN Cyanogen fluoride fcn  
491 ClCN chlorocyanogen clcn  
492 ICN Cyanogen iodide icn  
493 BeF2 Beryllium fluoride bef2  
494 MgF2 Magnesium fluoride mgf2  
495 BeCl2 Beryllium chloride becl2  
496 MgCl2 Magnesium dichloride mgcl2  
497 CaCl2 Calcium Chloride cacl2  
498 ZnCl2 Zinc dichloride zncl2  
499 CaF2 Calcium difluoride caf2  
500 BrNO Nitrosyl bromide brno  
501 INO Nitrosyl iodide ino  
502 CF2- Difluoromethylene anion cf2-  
503 CF2+ Difluoromethylene cation cf2+  
504 CCl2 dichloromethylene ccl2  
505 CCl2- dichloromethylene anion ccl2-  
506 CCl2+ dichloromethylene cation ccl2+  
507 SiCl2 Dichlorosilylene sicl2  
508 GeF2 Germanium difluoride gef2  
509 FOO Dioxygen monofluoride radical foo  
510 ClOO chloroperoxy radical cloo  
511 ClOO+ chloroperoxy cation cloo+  
512 OClO+ Chlorine dioxide cation oclo+  
513 ClS2 Sulfur chloride cls2  
514 NF2 Difluoroamino radical nf2  
515 NF2+ Difluoroamino cation nf2+  
516 F2O Difluorine monoxide f2o  
517 SF2- sulfur difluoride anion sf2-  
518 SF2+ sulfur difluoride cation sf2+  
519 Cl2O Dichlorine monoxide cl2o  
520 SCl2 Sulfur dichloride scl2  
521 BrOCl Bromine hypochlorite brocl  
522 BrOBr Bromine oxide brobr  
523 F3- trifluoride anion f3-  
524 Cl3- trichloride anion cl3-  
525 I3- triiodide i3-  
526 HCCF+ fluoroacetylene cation hccf+  
527 HFCO formyl fluoride hfco  
528 COHCl Formyl chloride cohcl  
529 COHBr Formyl bromide cohbr  
530 BHF2 Difluoroborane bhf2  
531 BHCl2 Borane, dichloro- bhcl2  
532 HOClO Chlorous acid hoclo  
533 CH2FCl fluorochloromethane ch2fcl  
534 CH2FI fluoroiodomethane ch2fi  
535 CH2ClI chloroiodomethane ch2cli  
536 CH2BrI bromoiodomethane ch2bri  
537 CH2I2 Diiodomethane ch2i2  
538 CH2CHF+ fluoroethene cation ch2chf+  
539 C2H3Cl Ethene, chloro- ch2chcl  
540 C2H3Br vinyl bromide c2h3br  
541 C2H3I Vinyl iodide c2h3i  
542 CH3OCl methyl hypochlorite ch3ocl  
543 C2H5F fluoroethane c2h5f  
544 CH3CH2Cl Ethyl chloride c2h5cl  
545 CH3SiFH2 fluoromethylsilane ch3sifh2  
546 C2H5I Ethyl iodide c2h5i  
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 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
559 CH3CHCHCH3 2-Butene, (E)- bute2e  
560 CH3CHCHCH3 2-Butene, (Z)- bute2z  
561 B(CH3)3 trimethylborane bme3  
562 Al(CH3)3 trimethyl aluminum tma  
563 C(CH3)3 Tert-butyl radical tbutyl  
564 CH2CH(CH3)2 Isobutyl radical isobutyl  
565 CH3CHCH2CH3 2-Butyl radical butyl2  
566 CH3CH(CH3)CH3 Isobutane isobutane  
567 SiH(CH3)3 trimethylsilane trimsi  
568 C2N2+ Cyanogen cation c2n2+  
569 P4 Phosphorus tetramer p4  
570 HCCCN Cyanoacetylene hcccn  
571 C3H3N acrylonitrile ch2chcn  
572 CH5N3 Guanidine guanidine  
573 CH6N3+ guanidinium ch6n3+  
574 C3H7N Cyclopropylamine cpram  
575 C3H7N Azetidine azet  
576 C2H8N2 Ethylenediamine ethdiam  
577 CH3NHNHCH3 dimethyl hydrazine dmh  
578 CH3CH(NH2)CH3 2-Propanamine pram2  
579 N(CH3)3 Trimethylamine trimeam  
580 As(CH3)3 trimethyl arsine tmas  
581 Li2O2 dilithium dioxide li2o2  
582 K2O2 dipotassium dioxide k2o2  
583 B2O2 Diboron dioxide b2o2  
584 CO3-- carbonate co3--  
585 NO3 Nitrogen trioxide no3  
586 NO3+ nitrogen trioxide cation no3+  
587 SO3- Sulfur trioxide anion so3-  
588 SO3+ Sulfur trioxide cation so3+  
589 SeO3 selenium trioxide seo3  
590 TeO3 Tellurium trioxide teo3  
591 HCO3- bicarbonate anion hco3-  
592 HSO3 Hydroxysulfonyl radical hso3  
593 C2H2CO cyclopropenone c2h2co  
594 HCCCHO 2-propynal hcccho  
595 C2H2O2+ Ethanedial cation c2h2o2+  
596 H2CO3 Carbonic acid h2co3  
597 H2CS3 thiocarbonic acid h2cs3  
598 H2NO3+ Nitric Acid, Protonated h2no3+  
599 CH3COO- acetate anion ch3coo-  
600 CH3ONO Methyl nitrite ch3ono  
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 C3H6O Propylene oxide prox  
620 C3H6S Thietane thietane  
621 C3H6S Thiirane, methyl- methiirane  
622 CH3CSCH3 Thioacetone ch3csch3  
623 C2H6O2 1,2-Ethanediol ethdiol  
624 CH3OOCH3 dimethylperoxide dmp  
625 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
626 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
627 CH3COHCH3+ acetone, protonated acetoneh+  
628 CH3CHOHCH3 Isopropyl alcohol isoproh  
629 C3H7SH 1-Propanethiol prsh  
630 CH3CHSHCH3 2-Propanethiol isoprsh  
631 CH3SCH2CH3 Ethane, (methylthio)- etsme  
632 H2OCH3OCH3 water dimethylether dimer h2och3och3  
633 Na2F2 Sodium Fluoride Dimer na2f2  
634 Na2Cl2 Disodium dichloride na2cl2  
635 C2F2 difluoroacetylene c2f2  
636 C2Cl2 dichloroacetylene c2cl2  
637 C2Cl2+ dichloroacetylene cation c2cl2+  
638 ClNO2 Nitryl chloride clno2  
639 BrONO Bromine nitrite brono  
640 N2F2 (Z)-Difluorodiazene n2f2_z  
641 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
642 COFCl Carbonic chloride fluoride cofcl  
643 CCl2O Phosgene cl2co  
644 Cl2CS Thiophosgene cl2cs  
645 COBr2 Carbonic dibromide cobr2  
646 BF3 Borane, trifluoro- bf3  
647 BF3- Borane, trifluoro- anion bf3-  
648 AlF3 Aluminum trifluoride alf3  
649 AlF2Cl Aluminum chloride difluoride alclf2  
650 AlFCl2 Aluminum dichloride fluoride alcl2f  
651 AlCl3 Aluminum trichloride alcl3  
652 BBr3 Boron tribromide bbr3  
653 AlBr3 Aluminum Bromide albr3  
654 ClO3 Chlorine trioxide clo3  
655 ClO3- chlorate anion clo3-  
656 BrO3- Bromate anion bro3-  
657 CF3 Trifluoromethyl radical cf3  
658 CCl3 Trichloromethyl radical ccl3  
659 CCl3- Trichloromethyl anion ccl3-  
660 CCl3+ Trichloromethyl cation ccl3+  
661 SiCl3 trichlorosilyl radical sicl3  
662 SiCl3+ trichlorosilyl cation sicl3+  
663 FOOF Perfluoroperoxide foof  
664 F2SO Thionyl Fluoride f2so  
665 FSSF Difluorodisulfane fssf  
666 S2F2 Thio-thionyl fluoride s2f2  
667 SOCl2 thionyl chloride socl2  
668 SeOCl2 selenium oxychloride seocl2  
669 NF3- Nitrogen trifluoride anion nf3-  
670 NF3+ Nitrogen trifluoride cation nf3+  
671 PF3 Phosphorus trifluoride pf3  
672 AsF3 Arsenic trifluoride asf3  
673 PCl3 Phosphorus trichloride pcl3  
674 SbF3 Antimony Trifluoride sbf3  
675 SbCl3 Antimony Trichloride sbcl3  
676 PBr3 Phosphorus tribromide pbr3  
677 AsBr3 Arsenic tribromide asbr3  
678 NI3 Nitrogen triiodide ni3  
679 PI3 Phosphorus triiodide pi3  
680 ClSSCl Disulfur dichloride s2cl2  
681 SF3 Sulfur trifluoride sf3  
682 BrF3 Bromine trifluoride brf3  
683 IF3 iodone trifluoride if3  
684 CHF2Cl difluorochloromethane chf2cl  
685 CHFCl2 fluorodichloromethane chfcl2  
686 CDCl3 trichloromethane-d cdcl3  
687 SiHCl3 Trichlorosilane sihcl3  
688 CHF2I difluoroiodomethane chf2i  
689 CHFClI fluorochloroiodomethane chfcli  
690 CHCl2I dichloroiodomethane chcl2i  
691 CHClBr2 Methane, dibromochloro- chclbr2  
692 CHBr3 bromoform chbr3  
693 CHI3 Iodoform chi3  
694 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
695 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
696 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
697 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
698 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
699 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
700 C2H2Br2 1,1-dibromoethene c2h2br2  
701 CH2FCHO Fluoroacetaldehyde ch2fcho  
702 CH3COF Acetyl fluoride ch3cof  
703 CH2ClCHO chloroacetaldehyde ch2clcho  
704 CH3COCl Acetyl Chloride ch3cocl  
705 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
706 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
707 CH2CFCH3 2-fluoropropene 2fpro  
708 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
709 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
710 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
711 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
712 CH3CH2CH2Br n-propyl bromide prbr  
713 CH3CHBrCH3 i-propyl bromide iprbr  
714 C3H9O+ trimethyl oxonium cation c3h9o+  
715 C5H5 cyclopentadienyl radical c5h5  
716 C5H5- cylopentadienyl anion c5h5-  
717 C5H6 1,3-Cyclopentadiene c542927  
718 C5H6 1-Buten-3-yne, 2-methyl- c78808  
719 C5H6 3-Penten-1-yne, (E)- c2004695  
720 C5H6 3-Penten-1-yne, (Z)- c1574409  
721 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
722 C5H6 Cyclopropylacetylene c6746947  
723 C5H7 1,3-pentadienyl radical pdyl  
724 C5H7 cyclopentenyl radical cpyl  
725 C5H8 1,2-Butadiene, 3-methyl- c598254  
726 C5H8 1,2-Pentadiene c591957  
727 C5H8 1,3-Butadiene, 2-methyl- c78795  
728 C5H8 1,3-Pentadiene, (E)- c2004708  
729 C5H8 1,3-Pentadiene, (Z)- c1574410  
730 C5H8 1,4-Pentadiene c591935  
731 C5H8 1-pentyne a1pentyne  
732 C5H8 2,3-Pentadiene c591968  
733 C5H8 Cyclobutane, methylene- c1120565  
734 C5H8 Cyclopentene c142290  
735 CH3CCCH2CH3 2-Pentyne 2pentyne  
736 C5H10 1-Butene, 2-methyl- c563462  
737 C5H10 2-Butene, 2-methyl- c513359  
738 C5H10 2-Pentene, (E)- c646048  
739 C5H10 2-Pentene, (Z)- c627203  
740 C5H10 Cyclopentane c287923  
741 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
742 CH2CHCH2CH2CH3 1-pentene pentene  
743 C5H11 2-Methylbut-2-yl radical c4348350  
744 C5H12 Butane, 2-methyl- buta2  
745 C5H12 Pentane pentane  
746 C5H12 Propane, 2,2-dimethyl- neopentane  
747 Si(CH3)4 tetramethylsilane tms  
748 N2O3 Dinitrogen trioxide n2o3  
749 C3H2N2 Malononitrile c3h2n2  
750 C2H3N3 1H-1,2,4-Triazole c288880  
751 C3H4N2 1H-Pyrazole 1hpyraz  
752 C4H5N (E)-2-Butenenitrile c627269  
753 C4H5N (Z)-2-Butenenitrile c1190767  
754 C4H5N 2H-pyrrole pyrrole2  
755 C4H5N 3H-pyrrole pyrrole3  
756 C4H5N Cyclopropanecarbonitrile c5500210  
757 CH2CHCH2CN Allylcyanide ch2chch2cn  
758 C3H6N2 3-Aminopropionitrile c151188  
759 C5H8 Bicyclo[2.1.0]pentane c185944  
760 C5H8 Spiropentane c157404  
761 C4H9N Cyclobutylamine cbam  
762 C4H9N Pyrrolidine pyrrolidine  
763 C3H10N2 1,2-Diaminopropane diampr12  
764 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
765 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
766 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
767 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
768 NC4H12+ tetramethyl ammonium cation nc4h12+  
769 C3O2+ Carbon suboxide cation c3o2+  
770 CaCO3 Calcium Carbonate caco3  
771 ONONO Nitrosyl nitrite onono  
772 PO4--- phosphate po4---  
773 SO4-- sulfate so4--  
774 HOONO2 peroxy nitric acid hoono2  
775 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
776 C3H2O2 Propiolic acid c3h2o2  
777 CHOCOOH oxo acetic acid oaa  
778 H2SO4 Sulfuric acid h2so4  
779 H2SeO4 Selenic acid h2seo4  
780 CH3C(O)OO acetyl peroxy radical ch3coo2  
781 CH3NO3 Methyl nitrate ch3no3  
782 H3PO4 Phosphoric Acid h3po4  
783 C4H4O+ Furan cation furan+  
784 C4H4S Thiophene furans  
785 C3H4O2 β–Propiolactone beta  
786 C3H4O2 2-Propenoic acid propenoic2  
787 C3H4O2 Methyl glyoxal megly  
788 C3H4O2 propanedial propanedial  
789 C3H4O2 propenalol propenalol  
790 HOCHCCHOH allenediol aldiol  
791 C2H4O3 1,2,3-trioxolane c2h4o3  
792 C2H4O3 trioxolane124 triox  
793 HOCH2COOH Hydroxyacetic acid hac  
794 CH2CHCONH2 Acrylamide c79061  
795 CH5N3S Hydrazinecarbothioamide c79196  
796 H2NCH2COOH Glycine glycine  
797 C4H6O cis-2-butenal butenal2c  
798 C4H6O Cyclobutanone cbutone  
799 C4H6O Furan, 2,3-dihydro- furan23h  
800 C4H6O Furan, 2,5-dihydro- furan25h  
801 CH2CHOCHCH2 Vinyl ether vinylether  
802 CHOCHCHCH3 2-Butenal butenal2  
803 C4H6S Thiophene, 2,3-dihydro- thiop23h  
804 C4H6S Thiophene, 2,5-dihydro- thiop25h  
805 C2H6N2O Urea, methyl- c598505  
806 C3H6O2 1,3-Dioxolane dioxolane  
807 CH3COOCH3 methyl acetate aame  
808 CH3SSSCH3 dimethyl trisulfide c2h6s3  
809 C3H7NO dimethylformamide dmf  
810 C3H7NO Propanamide propanam  
811 C2H3OC2H5 Ethene, ethoxy- c109922  
812 C4H8O Cyclobutanol c2919235  
813 C4H8O Furan, tetrahydro- thf  
814 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
815 CH3COCH2CH3 2-Butanone buta2one  
816 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
817 CHOCH2CH2CH3 Butanal butanal  
818 C3H8O2 1,3-Propanediol c504632  
819 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
820 C3H8O2 Methane, dimethoxy- c109875  
821 C3H8O2 Propylene glycol c57556  
822 C3H8S2 1,3-Propanedithiol c109808  
823 C4H10O 1-Propanol, 2-methyl- c78831  
824 C4H10O 2-Butanol, (.+/-.)- butanol2  
825 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
826 C4H10O Propane, 2-methoxy- c598538  
827 C4H10O+ 1-Butanol cation butanol1+  
828 C2H5SC2H5 Diethyl sulfide etset  
829 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
830 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
831 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
832 FNO3 Fluorine nitrate fno3  
833 ClONO2 Chlorine nitrate clono2  
834 TiCl4 Titanium tetrachloride ticl4  
835 ClO4- perchlorate anion clo4-  
836 BF4- tetrafluoroboron anion bf4-  
837 ClFO3 Perchloryl fluoride clfo3  
838 SO2F2 Sulfuryl fluoride so2f2  
839 SO2Cl2 Sulfuryl chloride so2cl2  
840 F3NO Nitrogen trifluoride oxide f3no  
841 F3PO Phosphoryl fluoride pf3o  
842 Cl3PO Phosphoryl chloride pcl3o  
843 CF4 Carbon tetrafluoride cf4  
844 SiF4 Silicon tetrafluoride sif4  
845 CFCl3 Trichloromonofluoromethane cfcl3  
846 CCl4+ Carbon tetrachloride cation ccl4+  
847 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
848 SiCl4 Silane, tetrachloro- sicl4  
849 CF3I trifluoroiodomethane cf3i  
850 CBrCl3 Methane, bromotrichloro- cbrcl3  
851 CBr2F2 Methane, dibromodifluoro- cbr2f2  
852 GeCl4 Germanium Tetrachloride gecl4  
853 CCl3I trichloroiodomethane ccl3i  
854 CFClBrI fluorochlorobromoiodomethane cfclbri  
855 CF2I2 difluorodiiodomethane cf2i2  
856 CCl2I2 dichlorodiiodomethane ccl2i2  
857 CBr3I tribromoiododmethane cbr3i  
858 CI4 tetraiodomethane ci4  
859 SiI4 silicon tetraiodide sii4  
860 C2HF3 Trifluoroethylene c2hf3  
861 C2HF3+ Trifluoroethylene cation c2hf3+  
862 CHClCCl2 Trichloroethylene chclccl2  
863 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
864 HClO4 perchloric acid hclo4  
865 HSO3F Fluorosulfonic acid hso3f  
866 CF3OH trifluoromethanol cf3oh  
867 CHClCCHCl 1,3-dichloroallene chclcchcl  
868 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
869 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
870 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
871 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
872 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
873 SiCl3CH3 methyltrichlorosilane sicl3ch3  
874 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
875 NH3BCl3 Amminetrichloroboron nh3bcl3  
876 C3H5ClO Oxirane, (chloromethyl)- c106898  
877 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
878 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
879 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
880 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
881 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
882 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
883 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
884 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
885 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
886 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
887 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
888 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
889 C4H9F 1-fluorobutane butaf1  
890 CH3CHFCH2CH3 2-fluorobutane butaf2  
891 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
892 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
893 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
894 XeF4 Xenon tetrafluoride xef4  
895 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
896 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
897 C6H4 Benzyne benzyne  
898 C6H5 phenyl phenyl  
899 C6H5- phenyl anion phenyl-  
900 C6H6 2,4-Hexadiyne hexadiyne  
901 C6H6 3,4-Dimethylenecyclobutene cb34m  
902 C6H6+ Benzene cation c6h6+  
903 C6H8 (E)-hexa-1,3,5-triene c821078  
904 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
905 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
906 C6H8 1,3-Cyclohexadiene cyhexadiene13  
907 C6H8 1,4-Cyclohexadiene cyhexadiene14  
908 C6H8 3-Methylenecyclopentene c930267  
909 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
910 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
911 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
912 C6H10 1,3-Hexadiene, (E)- hexdi13e  
913 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
914 C6H10 1,4-Hexadiene, (E)- hexdi14t  
915 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
916 C6H10 1-Butyne, 3,3-dimethyl- c917920  
917 C6H10 1-Hexyne hexyne1  
918 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
919 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
920 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
921 C6H10 2-Hexyne c764352  
922 C6H10 cyclohexene cyclohexene  
923 C6H10 Cyclopentene, 1-methyl- c693890  
924 C6H10 Cyclopentene, 3-methyl- c1120623  
925 C6H10 Cyclopentene, 4-methyl- c1759815  
926 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
927 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
928 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
929 C6H12 (E)-2-Hexene e2hexene  
930 C6H12 (E)-3-methylpent-2-ene c616126  
931 C6H12 (Z)-3-methylpent-2-ene c922623  
932 C6H12 (Z)-hex-2-ene z2hexene  
933 C6H12 2,3-dimethyl-but-2-ene tmeet  
934 C6H12 3-methylenepentane c760214  
935 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
936 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
937 C6H12 Cyclohexane cyclohexane  
938 C6H12 Cyclopentane, methyl- c96377  
939 C6H12 Ethylcyclobutane c4806615  
940 C6H14 Butane, 2,2-dimethyl- buta22  
941 C6H14 Butane, 2,3-dimethyl- buta23  
942 C6H14 Hexane hexane  
943 C6H14 Pentane, 2-methyl- penta2  
944 C6H14 Pentane, 3-methyl- penta3  
945 C4N2 2-Butynedinitrile c4n2  
946 C2H2N4 sym-tetrazine ttz  
947 C3H3N3 1,3,5-Triazine triazine135  
948 CH3N5 5-Aminotetrazole c4418615  
949 C4H4N2 1,3-Diazine diazine13  
950 C4H4N2 Pyrazine pyrazine  
951 C4H4N2 Pyridazine pyridazine  
952 C4H4N2 Succinonitrile c110612  
953 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
954 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
955 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
956 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
957 C5H5N E-2,4-pentadienenitrile bdcn  
958 C5H5N Pyridine pyridine  
959 B3N3H6 borazine borazine  
960 C6H6 Fulvene fulvene  
961 C4H6N2 1H-Imidazole, 2-methyl- c693981  
962 C5H7N (E)-2-Pentenenitrile c26294984  
963 C5H7N (E)-3-Pentenenitrile c16529661  
964 C5H7N (Z)-2-Pentenenitrile c25899507  
965 C5H7N 1H-Pyrrole, 1-methyl- c96548  
966 C5H7N Cyclobutanecarbonitrile c4426113  
967 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
968 C5H9N Butanenitrile, 2-methyl- c18936179  
969 C5H9N Pentanenitrile c110598  
970 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
971 C6H10 Bicyclo[3.1.0]hexane c285585  
972 C5H11N Cyclopentanamine cypentam  
973 C5H11N Piperidine piper  
974 C4H12N2 1,2-Butanediamine c4426486  
975 C4H12N2 2-Methyl-1,2-propanediamine c811938  
976 Li2CO3 Lithium Carbonate li2co3  
977 Na2CO3 Sodium Carbonate na2co3  
978 C2O4-- oxalate anion c2o4  
979 C2H3NO3 Oxamic acid oxamic  
980 C4H4O2 2(5H)-Furanone furanone  
981 C4H4O2 2-Oxetanone, 4-methylene- c674828  
982 C2H4N2O2 Oxalamide oxalamide  
983 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
984 C3H4S3 1,3-Dithiolane-2-thione c822388  
985 C4H5NO 3-Methylisoxazole isox3m  
986 C4H5NO Isoxazole, 5-methyl- c5765446  
987 C4H5NS 4-Methylthiazole c693958  
988 C5H6O 2-methylfuran furan2m  
989 C5H6O 3-Methylfuran furan3m  
990 C5H6S Thiophene, 2-methyl- c554143  
991 C5H6S Thiophene, 3-methyl- c616444  
992 C4H6O2 2,3-Butanedione c431038  
993 C4H6O2 2-Propenoic acid, methyl ester c96333  
994 C4H6O2 Crotonic Acid crot  
995 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
996 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
997 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
998 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
999 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1000 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1001 C4H6OS Vinyl sulfoxide c1115157  
1002 CH6N4S Carbonothioic dihydrazide thiacarb  
1003 C2H6N2O2 (E)-Azodioxymethane c37765154  
1004 C2H6N2O2 Dimethylnitroamine c4164287  
1005 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1006 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1007 C4H7NO 2-Pyrrolidinone c616455  
1008 C4H7NO Ethoxyacetonitrile etoaccn  
1009 C4H7NO Methacrylamide c79390  
1010 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1011 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1012 C3H7ONO Propyl nitrite prono  
1013 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1014 CH3CH(NH2)COOH Alanine alanine  
1015 CH3NHCH2COOH Sarcosine sarcosine  
1016 NH2CH2CH2COOH β–alanine betaalanine  
1017 NH2COOC2H5 Urethane urethane  
1018 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1019 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1020 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1021 NH2CONHC2H5 Urea, ethyl- c625525  
1022 C4H8O2 1,3-Dioxane dioxan13  
1023 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1024 C4H8O2 1,4-Dioxane dioxan14  
1025 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1026 C4H8OS s-Ethyl thioacetate c625605  
1027 C3H8O3 1,2,3-Propanetriol glycerin  
1028 C3H8O2S (Methylsulfonyl)ethane c594434  
1029 C4H9NO Butanamide c541355  
1030 C4H9NO Propanamide, 2-methyl- c563837  
1031 C5H10O 2-Butanone, 3-methyl- c563804  
1032 C5H10O 2H-Pyran, tetrahydro- c142687  
1033 C5H10O 2-Pentanone mpk  
1034 C5H10O Cyclopentanol c96413  
1035 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1036 C5H10O Pentanal pal  
1037 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1038 C5H10S 3-Ethylthio-1-propene c5296628  
1039 C5H10S Cyclopentanethiol c1679078  
1040 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1041 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1042 C4H10O2 1,1-Dimethoxyethane c534156  
1043 C4H10O2 1,3-Butanediol budiol13  
1044 C4H10O2 1,4-Butanediol budiol14  
1045 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1046 C4H10OS Diethyl sulfoxide c70291  
1047 C4H10S2 1,4-Butanedithiol budisl14  
1048 C4H11NO Diethylhydroxylamine c3710847  
1049 C5H12O 1-Butanol, 2-methyl- c137326  
1050 C5H12O 1-Butanol, 3-methyl- c123513  
1051 C5H12O 1-Pentanol pentanol1  
1052 C5H12O 2-Butanol, 3-methyl- c598754  
1053 C5H12O 2-Pentanol peol2  
1054 C5H12O 3-Pentanol pentan3ol  
1055 C5H12O Butane, 1-methoxy- meobu  
1056 C5H12O Propane, 1-ethoxy- proet  
1057 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1058 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1059 C5H12S 1-Butanethiol, 3-methyl- c541311  
1060 C5H12S 1-Pentanethiol c110667  
1061 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1062 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1063 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1064 C5H12S Butane, 1-(methylthio)- c628295  
1065 C5H12S Ethyl propyl sulfide c4110503  
1066 C5H12S Propane, 2-(ethylthio)- c5145993  
1067 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1068 CF3CN Acetonitrile, trifluoro- cf3cn  
1069 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1070 B2F4 Diboron tetrafluoride b2f4  
1071 C2F4 Tetrafluoroethylene c2f4  
1072 C2F4+ Tetrafluoroethylene cation c2f4+  
1073 C2FCl3 fluorotrichloroethene c2fcl3  
1074 C2Cl4 Tetrachloroethylene c2cl4  
1075 AsF5 Arsenic pentafluoride asf5  
1076 PCl5 Phosphorus pentachloride pcl5  
1077 SF5 Sulfur pentafluoride sf5  
1078 SbCl5 Antimony pentachloride sbcl5  
1079 BrF5 bromine pentafluoride brf5  
1080 ClF5 chlorinepentafluoride clf5  
1081 IF5 pentafluoroiodine if5  
1082 CF3CHO trifluoroacetaldehyde cf3cho  
1083 CCl3CHO trichloroacetaldehyde ccl3cho  
1084 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1085 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1086 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1087 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1088 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1089 C4H8Cl2 1,4-Dichlorobutane c110565  
1090 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1091 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1092 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1093 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1094 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1095 C5H11Cl Pentane, 1-chloro- pencl1  
1096 C6H5CH2 benzyl radical benzyl  
1097 C6H5CH3 toluene toluene  
1098 C7H8 cycloheptatriene cht  
1099 C7H8 Norbornadiene norbor  
1100 C7H8 Quadricyclane qucy  
1101 C7H12 Norbornane nor  
1102 C7H14 cycloheptane c7h14  
1103 C7H16 2-methylhexane 2mhex  
1104 C7H16 3-methylhexane hex3m  
1105 C7H16 heptane heptane  
1106 C6H7N 2-Methylpyridine mp  
1107 C6H5NH2 aniline aniline  
1108 C6H13N 2-Methylpiperidine pip2m  
1109 C6H13N cyclohexanamine cham  
1110 C6H15N triethylamine tea  
1111 N2O5 Dinitrogen pentoxide n2o5  
1112 C4H2O3 Maleic Anhydride malan  
1113 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1114 C6H5O phenoxy radical phenoxy  
1115 C5H5NO 2(1H)-Pyridinone c72762006  
1116 C5H5NO 2(3H)-Pyridinone c9000048  
1117 C5H5NO 2(5H)-Pyridinone c9000037  
1118 C5H5NO 2-Pyridinol c109104  
1119 C5H5NO 3(2H)-Pyridinone c9000004  
1120 C5H5NO 3(4H)-Pyridinone c9000026  
1121 C5H5NO 3(6H)-Pyridinone c9000015  
1122 C5H5NO 3-Pyridinol c109002  
1123 C5H5NO 4(1H)-Pryidinone c9000060  
1124 C5H5NO 4(3H)-Pryidinone c9000059  
1125 C5H5NO 4-Pyridinol c626642  
1126 C6H5OH phenol phenol  
1127 C6H6O 2,4-Cyclohexadienone c24599573  
1128 C6H5SH Benzenethiol phsh  
1129 C4H8O2S Sulfolane sulfolane  
1130 CH(C2H3)3 trivinyl methane tvm  
1131 C6H10O cyclohexanone chexo  
1132 C6H12O hexanal c6h12o  
1133 C3H7OC3H7 di-n-propyl ether propr  
1134 CF3COCl trifluoroacetyl chloride cf3cocl  
1135 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1136 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1137 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1138 CCl3CHCl2 pentachloroethane ccl3chcl2  
1139 C6H5F Fluorobenzene bzf  
1140 C6H5Cl chlorobenzene bzcl  
1141 C6H5Br bromobenzene bzbr  
1142 C6H5CCH phenylacetylene phac  
1143 C8H6 benzocyclobutadiene bcbd  
1144 C8H6 Pentalene pentalene  
1145 C6H5CHCH2 Styrene styrene  
1146 C8H8 cyclooctatetraene cot  
1147 C6H5CH2CH3 Ethylbenzene etbz  
1148 CH3C6H4CH3 meta-xylene mxylene  
1149 CH3C6H4CH3 paraxylene pxylene  
1150 C8H18 Octane c8h18  
1151 C6H5CN phenyl cyanide phcn  
1152 C4O4-- squarate dianion c4o4--  
1153 S8 Octasulfur s8  
1154 C6H4O2 parabenzoquinone pbq  
1155 C4H4N2O2 Uracil uracil  
1156 C6H5OCH3 Anisole anisole  
1157 C6H12O2 Methyl pivalate c598981  
1158 C6H12O2 Hexanoic acid hexa  
1159 C4F4 tetrafluorcyclobutadiene c4f4  
1160 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1161 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1162 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1163 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1164 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1165 C2F6 hexafluoroethane c2f6  
1166 IF7 Iodine heptafluoride if7  
1167 C6H4F2 metadifluorobenzene mdfb  
1168 C6H4F2 orthodifluorobenzene odfb  
1169 C9H8 Indene indene  
1170 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1171 C9H12 n-propyl benzene prbz  
1172 C5H4N4 purine purine  
1173 C8H7N Indole indole  
1174 C6H5NO2 Nitrobenzene c6h5no2  
1175 C6H5COOH benzoic acid benzo  
1176 CH3COC6H5 acetophenone acph  
1177 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1178 C10H16 adamantane adamantane  
1179 C6N4 Tetracyanoethylene tcne  
1180 C6N4- tetracyanoethylene anion tcne-  
1181 C4F6 perfluorobutadiene c4f6  
1182 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1183 C3F8 perfluoropropane c3f8  
1184 Fe(CO)5 Iron pentacarbonyl ipc  
1185 Fe(C5H5)2 ferrocene fecp2  
1186 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1187 C12H8 Acenaphthylene acenaph  
1188 C12H10 biphenyl biphenyl  
1189 C12H10 Heptalene heptalene  
1190 C6F6 hexafluorobenzene c6f6  
1191 C14H10 Anthracene anth  
1192 C14H10 Phenanthrene phenanthrene  
1193 C16H10 Pyrene pyrene  
1194 C18H12 Tetracene tetracene