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List of which calculations are completed at B3LYPultrafine /6-311G*

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H+ Hydrogen atom cation  Kh
4 H2 Hydrogen diatomic 1ΣgD∞h
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 He Helium atom 1SKh
8 He Helium atom   
9 He+ Helium atom cation 2SKh
10 HeH+ Helium hydride cation 1ΣC∞v
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Li- Lithium atom anion 1SKh
14 Li+ Lithium atom cation 1SKh
15 Na Sodium atom 2SKh
16 Na+ Sodium atom cation 1SKh
17 K Potassium atom 2SKh
18 Cu Copper atom 2SKh
19 LiH Lithium Hydride 1ΣC∞v
20 LiH+ lithium hydride cation 2ΣC∞v
21 KH Potassium hydride 1ΣC∞v
22 Be Beryllium atom 1SKh
23 Be+ Beryllium atom cation 2SKh
24 Mg Magnesium atom 1SKh
25 Mg+ Magnesium atom cation 2SKh
26 Ca Calcium atom 1SKh
27 Zn Zinc atom 1SKh
28 BeH beryllium monohydride 2ΣC∞v
29 MgH magnesium monohydride 2ΣC∞v
30 TiH Titanium monohydride 4ΦC∞v
31 ZnH+ Zinc, protonated   
32 BeH2+ Beryllium dihydride cation   
33 MgH2 magnesium dihydride 1ΣgD∞h
34 CaH2 Calcium Hydride 1A1C2v
35 B Boron atom 2PKh
36 B Boron atom 4PKh
37 B+ Boron atom cation 1SKh
38 Al Aluminum atom 2PKh
39 Al- Aluminum atom anion 3PKh
40 Al+ Aluminum atom cation 1SKh
41 Sc Scandium atom 2DKh
42 Sc+ Scandium cation 3DKh
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 ScH Scandium monohydride 1ΣC∞v
49 ScH+ Scandium monohydride cation 2ΣC∞v
50 GaH Gallium monohydride 1ΣC∞v
51 GaH+ Gallium monohydride cation 2ΣC∞v
52 BH3+ boron trihydride cation 2B2C2v
53 BH3+ boron trihydride cation  C2v
54 AlH3 aluminum trihydride 1A1'D3h
55 AlH3- aluminum trihydride anion  C3v
56 ScH3 Scandium trihydride 1A1'D3h
57 ScH3 Scandium trihydride 1A1C3v
58 BH4 borohydride 2B2C2v
59 BH4- borohydride anion 1A1Td
60 C Carbon atom 3P0Kh
61 C Carbon atom 3P1Kh
62 C- Carbon atom anion 2DKh
63 C+ Carbon atom cation 2PKh
64 Si Silicon atom 3PKh
65 Si Silicon atom 1SKh
66 Si- Silicon atom anion 4SKh
67 Si+ Silicon atom cation 2PKh
68 Ti Titanium atom 3FKh
69 Ge Germanium atom 3PKh
70 Ge- Germanium anion 4SKh
71 Ge+ Germanium cation 2PKh
72 CH Methylidyne 2Π1/2C∞v
73 SiH Silylidyne 2ΠC∞v
74 SiH+ silicon monohydride cation 1ΣC∞v
75 GeH germylidene 2ΠC∞v
76 GeH+ Germaniun monohyrdide cation 1ΣC∞v
77 CH2 Methylene 3B1C2v
78 CH2 Methylene 3ΣGD∞h
79 CH2 Methylene 1A1C2v
80 CH2- methylene anion 2B1C2v
81 CH2+ methylene cation 2A1C2v
82 CH2+ methylene cation 2ΠD∞h
83 GeH2 germylene 1A1C2v
84 CH3 Methyl radical 2A1D3h
85 CH3- methyl anion 1A1C3v
86 CH3+ methyl cation 1A1'D3h
87 SiH3 Silyl radical 2A1C3v
88 SiH3+ Silyl cation 1A1'D3h
89 GeH3 Germyl radical 2A1C3v
90 GeH3+ germyl cation 1A1'D3h
91 CH4 Methane 1A1Td
92 CH4- Methane anion 2A1Td
93 SiH2D2 silane-d2   
94 SiH4 Silane 1A1Td
95 GeH4 Germane 1A1Td
96 SiH5+ Silane, protonated   
97 N Nitrogen atom 4SKh
98 N+ Nitrogen atom cation 3PKh
99 P Phosphorus atom 4SKh
100 V Vanadium atom 4FKh
101 V+ Vanadium atom cation 5DKh
102 As Arsenic atomic 4SKh
103 As- Arsenic anion 3PKh
104 As+ Arsenic cation 3PKh
105 PH phosphorus monohydride 3Σ-C∞v
106 AsH Arsenic monohydride 3ΣC∞v
107 NH2 Amino radical 2B1C2v
108 NH2+ Amino cation 3B1C2v
109 NH2+ Amino cation 1A1C2v
110 NH3 Ammonia 1A1C3v
111 NH3- Ammonia anion 2A1C3v
112 NH3+ ammonia cation 2A2"D3h
113 PH3 Phosphine 1A1C3v
114 PH3+ Phosphine cation 2A1C3v
115 AsH3 Arsine 1A1C3v
116 AsH3+ Arsine cation 2A1C3v
117 AsH4+ Arsonium   
118 NH4 Ammonium radical   
119 NH4+ ammonium cation 1A1Td
120 PH4 Phosphoranyl radical   
121 PH4+ phosphonium cation   
122 O Oxygen atom 3SKh
123 O+ Oxygen atom cation 4SKh
124 S Sulfur atom 3PKh
125 S Sulfur atom   
126 S- Sulfur atom anion 2PKh
127 S+ Sulfur atom cation 4SKh
128 Se Selenium atom 3PKh
129 Se- Selenium atom anion 2PKh
130 Se+ Selenium atom cation 4SKh
131 OH Hydroxyl radical 2ΠC∞v
132 OH- hydroxide anion 1ΣC∞v
133 OH+ hydoxyl cation 3ΣC∞v
134 HS Mercapto radical 2ΠC∞v
135 HS- mercapto anion 1ΣC∞v
136 HS+ sulfur monohydride cation 3ΣC∞v
137 CrH Chromium hydride 6ΣC∞v
138 CrH+ Chromium hydride cation 5ΣC∞v
139 HSe Selenium monohydride 2ΠC∞v
140 HSe- selenium monohydride anion 1ΣC∞v
141 HSe+ selenium monohydride cation 3ΣC∞v
142 H2O Water 1A1C2v
143 H2O- water anion 2A1C2v
144 H2O- water anion 2A'Cs
145 H2O+ water cation 2B1C2v
146 HDO Water-d1 1A1C2v
147 H2S Hydrogen sulfide 1A1C2v
148 H2S+ Hydrogen sulfide cation 2B1C2v
149 H2Se Hydrogen selenide 1A1C2v
150 H2Se+ Hydrogen selenide cation 2B1C2v
151 H3O+ hydronium cation 1A1C3v
152 H3S+ Sulfonium cation 1A1C3v
153 H3Se+ Hydrogen Selenide, protonated 1A1C3v
154 F Fluorine atom 2PKh
155 F- Fluorine atom anion 1SKh
156 F+ Fluorine atom cation 3SKh
157 F+ Fluorine atom cation 1DKh
158 Cl Chlorine atom 2PKh
159 Cl- Chlorine atom anion 1SKh
160 Cl+ Chlorine atom cation 3PKh
161 Cl+ Chlorine atom cation 1DKh
162 Br Bromine atom 2PKh
163 Br- Bromine atom anion 1SKh
164 Br+ Bromine atom cation 3PKh
165 HF Hydrogen fluoride 1ΣC∞v
166 HF- hydrogen fluoride anion 2ΣC∞v
167 HF+ hydrogen fluoride cation 2ΠC∞v
168 HCl Hydrogen chloride 1ΣC∞v
169 HCl- hydrogen chloride anion 2ΣC∞v
170 HCl+ hydrogen chloride cation 2ΠC∞v
171 HBr hydrogen bromide 1ΣC∞v
172 HBr- hydrogen bromide anion 2ΣC∞v
173 HBr+ hydrogen bromide cation 2ΠC∞v
174 HI+ Hydrogen iodide cation   
175 H2Cl+ dihydrogen monochloride cation 1A1C2v
176 H2Br+ protonated hydrogen bromide 2A1C2v
177 H2I+ Iodonium   
178 Ne Neon atom 1SKh
179 Ne Neon atom   
180 Ne+ Neon atom cation 2PKh
181 Ar Argon atom 1SKh
182 Kr Krypton atom 1SKh
183 Kr+ Krypton cation 2PKh
184 HeLi+ Helium Lithium cation   
185 NeH neon hydrogen 2ΣC∞v
186 ArH+ Argon hydride cation 1ΣC∞v
187 KrH+ Protonated Krypton 1ΣC∞v
188 H2Ar H2 Ar dimer 1ΣC∞v
189 NaLi lithium sodium 1ΣC∞v
190 Na2 Sodium diatomic 1ΣgD∞h
191 Na2- sodium diatomic anion 2ΣuD∞h
192 Na2+ sodium diatomic cation 2ΣgD∞h
193 NaK+ Sodium Potassium diatomic cation 1
194 BeMg Beryllium Magnesium 1ΣC∞v
195 LiB Lithium boride 3ΠC∞v
196 LiAl Lithium Aluminum   
197 NaAl Sodium aluminum 1ΣC∞v
198 BeB Beryllium monoboride 2ΠC∞v
199 B2 Boron diatomic 3ΣgD∞h
200 B2 Boron diatomic 1ΣgD∞h
201 B2 Boron diatomic 5ΣuD∞h
202 B2+ Boron diatomic cation 2ΠD∞h
203 BAl Boron Aluminum 3ΣC∞v
204 BGa Boron Gallium 3ΣC∞v
205 AlGa Aluminum Gallium 3ΣC∞v
206 AlGa Aluminum Gallium 1ΣC∞v
207 Ga2 Gallium diatomic 3Piu 
208 HBBH Diborane(2) 3ΣGD∞h
209 B2H4 Diborane(4) D2d 1A1D2d
210 HBHHBH Diborane(4) C2V 1A1C2v
211 B2H6 Diborane 1AgD2h
212 B2H6+ Diborane cation   
213 Ga2H6 digallane 1AGD2h
214 BeC Beryllium Carbide 3Σ-C∞v
215 BeC Beryllium Carbide   
216 CaC Calcium monocarbide   
217 AlC Aluminum carbide 4ΣC∞v
218 BSi Boron silicide 4ΣC∞v
219 BSi Boron silicide 2ΣC∞v
220 C2 Carbon diatomic 1Σg+D∞h
221 C2 Carbon diatomic 3Σg- 
222 C2+ carbon diatomic cation 4ΣgD∞h
223 GeC Germanium monocarbide 1ΣC∞v
224 SiGe Silicon Germanium   
225 C2H Ethynyl radical 2ΣC∞v
226 C2H Ethynyl radical   
227 C2H- Ethynyl anion 1ΣC∞v
228 C2H+ Ethynyl cation 1ΣC∞v
229 C2H2 Acetylene 1ΣgD∞h
230 C2H2+ acetylene cation 2ΠuD∞h
231 C2H2+ acetylene cation   
232 H2CC- vinylidene anion   
233 HCCH- acetylene anion   
234 HCCH- acetylene anion   
235 Si2H2 disilyne   
236 Si2H2 disilyne   
237 Si2H2 disilyne   
238 Si2H2 disilyne   
239 CH3Li methyl lithium 1A1C3v
240 CH2BH methyleneborane 1A1C2v
241 C2H3 vinyl 2A'Cs
242 C2H3- vinyl anion 1A'Cs
243 C2H3+ vinyl cation 1A1C2V bridging H
244 C2H3+ vinyl cation 1A1C2V HCCH2
245 C2H4 Ethylene 1AgD2h
246 C2H4- Ethylene anion 2AgC2h
247 C2H4+ Ethylene cation 2B3D2
248 Si2H4 Disilene   
249 Si2H4 Disilene   
250 Si2H4 Disilene   
251 CH3BH2 methylborane 1A'Cs
252 C2H5 Ethyl radical 2A'Cs
253 C2H6 Ethane 1A1gD3d
254 Si2H6 disilane 1EuD3d
255 LiN Lithium Nitride 3ΣC∞v
256 LiP Lithium monophosphide   
257 LiP Lithium monophosphide   
258 BeN+ Beryllium mononitride cation 3ΣC∞v
259 BeN+ Beryllium mononitride cation 1ΣC∞v
260 MgN Magnesium Nitride   
261 MgN Magnesium Nitride   
262 BP Boron monophosphide 3ΠC∞v
263 BP Boron monophosphide 1ΣC∞v
264 AlP Aluminum monophosphide 3ΣC∞v
265 AlP Aluminum monophosphide 3ΠC∞v
266 AlP Aluminum monophosphide 1ΣC∞v
267 GaP Gallium monophosphide 3ΣC∞v
268 GaP Gallium monophosphide 1ΣC∞v
269 GaAs Gallium arsenide 3Π 
270 GaAs Gallium arsenide 1Σ 
271 BN boron nitride 3ΠC∞v
272 BN boron nitride 1ΣC∞v
273 CN Cyano radical 2ΣC∞v
274 CN- cyanide anion 1ΣC∞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 HCN Hydrogen cyanide 1ΣC∞v
281 HCN+ hydrogen cyanide cation 2ΠC∞v
282 HNC+ hydrogen isocyanide cation   
283 HCP+ Phosphaethyne cation   
284 NNH+ Dinitrogen monohydride cation 1ΣC∞v
285 LiNH2 lithium amide   
286 HBNH Boranimine 1ΣC∞v
287 H2NN Isodiazene   
288 N2H2 (E)-diazene 1AgC2h
289 N2H2 (Z)-Diazene 1A1C2v
290 N2H2+ trans-diazene cation 2AGC2h
291 CH2NH Methanimine 1A'Cs
292 CH2NH+ Methanimine cation   
293 CHNH2 aminomethylene   
294 CHNH2+ Aminocarbene cation   
295 BH2NH2 Boranamine   
296 CH2NH2+ methyleneamine cation 1A1C2v
297 N2H4 Hydrazine 1AC2
298 N2H4+ hydrazine cation 2AGC2h
299 CH3NH2 methyl amine 1A'Cs
300 CH3NH2+ methyl amine cation 2A'Cs
301 SiH3NH2 Silane, amino   
302 N2H5+ protonated hydrazine 1A'Cs
303 BH3PH3 borane phosphine   
304 BH3NH3 borane ammonia 1A1C3v
305 CH3NH3 methyl ammonium radical 2A1C3v
306 CH3PH3+ methyl phosphine, protonated 1A1C3v
307 N2H7+ ammonia ammonium dimer   
308 LiO lithium oxide 2ΣC∞v
309 LiS Lithium monosulfide 2ΠC∞v
310 LiS+ Lithium sulfide cation 3ΣC∞v
311 NaO sodium monoxide 2ΣC∞v
312 KO Potassium monoxide 2ΣC∞v
313 KO+ Potassium monoxide cation 3ΣC∞v
314 NaS Sodium sulfide 2ΠC∞v
315 LiSe Lithium monoselenide   
316 CaO Calcium monoxide 1ΣC∞v
317 CaS Calcium sulfide 1ΣC∞v
318 BO boron monoxide 2ΣC∞v
319 ScO Scandium monoxide 2ΣC∞v
320 GaO Gallium monoxide 2ΣC∞v
321 GaS Gallium monosulfide   
322 CO Carbon monoxide 1ΣC∞v
323 CO- carbon monoxide anion 2ΠC∞v
324 CO+ carbon monoxide cation 2ΣC∞v
325 SiO Silicon monoxide 1ΣC∞v
326 SiS silicon monosulfide 1ΣC∞v
327 TiO Titanium monoxide 3ΔC∞v
328 CSe Carbon monoselenide 1ΣC∞v
329 GeO Germanium monoxide 1ΣC∞v
330 GeO+ Germanium monoxide cation 2ΣC∞v
331 GeS Germanium monosulfide 1ΣC∞v
332 SiSe Silicon Monoselenide   
333 SiSe+ Silicon Monoselenide cation   
334 GeSe Germanium monoselenide   
335 NO Nitric oxide 2ΠC∞v
336 NO- nitric oxide anion 3ΣC∞v
337 NO+ nitric oxide cation 1ΣC∞v
338 NS Mononitrogen monosulfide 2ΠC∞v
339 PO Phosphorus monoxide 2ΠC∞v
340 PS phosphorus sulfide 2ΣC∞v
341 VO Vanadium monoxide 4Σ- 
342 NSe Nitrogen monoselenide 2ΠC∞v
343 AsS Arsenic monosulfide 2ΠC∞v
344 PSe Phosphorus monoselenide 2ΠC∞v
345 AsSe Arsenic monoselenide 2ΠC∞v
346 O2 Oxygen diatomic 3ΣgD∞h
347 O2- oxygen diatomic anion 2ΠD∞h
348 O2-- dioxygen dianion   
349 SO Sulfur monoxide 3ΣC∞v
350 SO Sulfur monoxide 1ΣC∞v
351 SO+ sulfur monoxide cation 2ΠC∞v
352 S2 Sulfur diatomic 3ΣgD∞h
353 SeO Selenium monoxide 3ΣC∞v
354 Se2 Selenium diatomic 3ΣgD∞h
355 LiOH lithium hydroxide 1ΣC∞v
356 KOH Potassium hydroxide 1ΣC∞v
357 BeOH beryllium monohydroxide 2A'Cs
358 BeOH beryllium monohydroxide 2ΣC∞v
359 HBO Boron hydride oxide 1ΣC∞v
360 HBS hydrogen boron sulfide 1ΣC∞v
361 COH Hydroxymethylidyne   
362 COH+ Carbon Monoxide, protonated 1ΣC∞v
363 HCO Formyl radical 2A'Cs
364 HCO- formyl anion 1A'Cs
365 HCO+ Formyl cation 1ΣC∞v
366 HNO Nitrosyl hydride 1A'Cs
367 HNO+ Nitrosyl hydride cation 2A'Cs
368 NOH Hydroxyimidogen 3A"Cs
369 NOH+ O-protonated nitric oxide 2A'Cs
370 HO2 Hydroperoxy radical 2A"Cs
371 HO2+ Hydroperoxy cation 3A"Cs
372 HSO+ Sulfur Monoxide, S-protonated   
373 SOH Sulfur Hydroxide   
374 SOH+ Sulfur Monoxide, protonated   
375 H2CO Formaldehyde 1A1C2v
376 H2CO- formaldehyde anion 2A'Cs
377 H2CO- formaldehyde anion   
378 H2CO+ formaldehyde cation 2B2C2v
379 H2CS Thioformaldehyde 1A1C2v
380 H2CS- thioformaldehyde anion   
381 H2CS- thioformaldehyde anion   
382 H2CS+ thioformaldehyde cation 2B2C2v
383 H2CSe Selenoformaldehyde   
384 H2NO nitroxide 2B1C2v
385 H2NO nitroxide 2A'Cs
386 H2O2 Hydrogen peroxide 1AC2
387 H2O2 Hydrogen peroxide 1AgC2h
388 H2OO water oxide   
389 HOSH hydrogen thioperoxide   
390 H2S2 Disulfane 1AC2
391 H2S2+ hydrogen disulfide cation 2BgC2h
392 H2Se2 hydrogen diselenide   
393 CH2OH Hydroxymethyl radical 2AC1
394 CH2OH+ hydroxymethyl cation 1A'Cs
395 CH3O- methoxy anion 1A1C3v
396 CH3O+ Methoxy cation 3A1C3v
397 H2CSH+ Thioformaldehyde, protonated 1A'Cs
398 NH2OH hydroxylamine 1A'Cs
399 NH2OH+ Hydroxylamine cation   
400 NH2SH Thiohydroxylamine   
401 NH2SH Thiohydroxylamine   
402 NH3S sulfidoazane   
403 CH3OH Methyl alcohol 1A'Cs
404 CH3OH- Methyl alcohol anion 2A'Cs
405 CH3OH- Methyl alcohol anion 2A'CS eclipsed
406 CH3OH+ Methyl alcohol cation 2A"Cs
407 CH3SH Methanethiol 1A'Cs
408 CH3SH+ Methanethiol cation 2A"Cs
409 SiH3OH silanol   
410 NH2OH2+ protonated hydroxylamine   
411 NH3OH+ N-protonated hydroxylamine   
412 H2OH2O water dimer 1A'Cs
413 CH3SH2+ protonated methylsulfide 1A'Cs
414 H5O2+ Dihydroxonium ion 1AC2
415 LiF lithium fluoride 1ΣC∞v
416 LiCl lithium chloride 1ΣC∞v
417 NaF sodium fluoride 1ΣC∞v
418 NaF+ sodium fluoride cation 2ΣC∞v
419 NaCl Sodium Chloride 1ΣC∞v
420 LiBr Lithium Bromide 1ΣC∞v
421 LiI Lithium Iodide   
422 NaI Sodium Iodide   
423 LiF+ lithium fluoride cation 2ΠC∞v
424 MgF+ magnesium fluoride cation 1ΣC∞v
425 TiCl Titanium Monochloride 4ΣC∞v
426 ZnF Zinc monofluoride 2ΣC∞v
427 CaBr Calcium monobromide   
428 BF Boron monofluoride 1ΣC∞v
429 AlF Aluminum monofluoride 1Σ+C∞v
430 ScF Scandium monofluoride 1ΣC∞v
431 GaF Gallium monofluoride 1ΣC∞v
432 GaF+ Gallium monofluoride cation 2ΣC∞v
433 AlBr Aluminum monobromide   
434 GaCl Gallium monochloride 1ΣGC∞v
435 GaCl+ Gallium monochloride cation 2ΣC∞v
436 GaBr Gallium monobromide   
437 CF Fluoromethylidyne 2ΠC∞v
438 SiF silicon monofluoride 2ΠC∞v
439 SiF+ silicon monofluoride cation 1ΣC∞v
440 SiCl Clorosilylidyne 2ΠC∞v
441 CBr Carbon monobromide 2ΠC∞v
442 GeF Germanium monofluoride 2ΠC∞v
443 GeF+ Germanium monofluoride cation 1ΣC∞v
444 GeCl Germanium monochloride 2ΠC∞v
445 GeCl+ Germanium monochloride cation   
446 SiBr Silicon monobromide 2ΠC∞v
447 SiBr+ Silicon monobromide cation   
448 NCl nitrogen monochloride 3ΣC∞v
449 AsF Arsenic monofluoride 3ΣC∞v
450 AsCl Arsenic monochloride 3ΣC∞v
451 PBr Phosphorus monobromide   
452 FO Oxygen monofluoride 2ΠC∞v
453 ClO Monochlorine monoxide 2ΠC∞v
454 ClO+ chlorine monoxide cation 3ΣC∞v
455 SF Monosulfur monofluoride 2ΠC∞v
456 SF+ sulfur monofluoride cation 3ΣC∞v
457 SCl sulfur monochloride 2ΠC∞v
458 SCl+ sulfur monochloride cation 3ΣgC∞v
459 BrO Bromine monoxide 2ΠC∞v
460 BrO+ Bromine monoxide cation   
461 SeF Selenium monofluoride 2ΠC∞v
462 SBr Sulfur monobromide radical   
463 SBr+ Sulfur monobromide cation   
464 SeCl Selenium monochloride 2ΠC∞v
465 SeBr Selenium monobromide   
466 BrCl Bromine monochloride 1ΣC∞v
467 F2 Fluorine diatomic 1ΣgD∞h
468 F2- flourine diatomic anion 2ΣuD∞h
469 F2+ flourine diatomic cation 2ΠgD∞h
470 ClF Chlorine monofluoride 1Σ+C∞v
471 ClF+ clorine monofluoride cation 2ΠC∞v
472 Cl2 Chlorine diatomic 1ΣgD∞h
473 Cl2+ chlorine diatomic cation 2ΠgD∞h
474 BrF Bromine monofluoride 1ΣC∞v
475 IF Iodine monofluoride 1ΣC∞v
476 Br2 Bromine diatomic 1ΣgD∞h
477 Br2- bromine diatomic anion 2ΣuD∞h
478 Br2+ bromine diatomic cation 2ΠgD∞h
479 ICl Iodine monochloride 1ΣC∞v
480 IBr Iodine monobromide 1ΣC∞v
481 I2+ Iodine diatomic cation 2ΠgD∞v
482 HCF Fluoromethylene 1A'Cs
483 HCF Fluoromethylene 3A"Cs
484 HSiF fluorosilylene   
485 HSiCl Chlorosilylene   
486 HSiBr monobromosilylene   
487 HOF Hypofluorous acid 1A'Cs
488 HOCl hypochlorous acid 1A'Cs
489 HOCl+ hypochlorous acid cation   
490 F2H+ Fluorine, protonated 1A'Cs
491 ClFH+ Chlorine fluoride, F-protonated   
492 FClH+ Chlorine fluoride, Cl-protonated   
493 Cl2H+ Chlorine, protonated 1A'Cs
494 CH2Br bromomethyl radical   
495 CH2F fluoromethyl radical 2ACs
496 CH2F+ fluoromethyl cation   
497 CH2Cl+ chloromethyl cation   
498 CH2Cl chloromethyl radical 2A'Cs
499 CH2Cl chloromethyl radical 2B1C2v
500 NH2Cl chloramine 1A'Cs
501 CH3F+ methyl fluoride cation   
502 CH3F Methyl fluoride 1A1C3v
503 CH3Cl Methyl chloride 1A1C3v
504 CH3Cl+ Methyl chloride cation   
505 SiH3F monofluorosilane 1A1C3v
506 SiH3Cl chlorosilane 1A1C1
507 CH3Br methyl bromide 1A1C3v
508 GeH3F monofluorogermane   
509 GeH3Cl monochlorogermane   
510 SiH3Br bromosilane 1A1C3v
511 NH3Cl+ protonated monochloroammonia   
512 CH3ClH+ methyl chloride, protonated   
513 NH4Cl Ammonium chloride   
514 LiNe+ Lithium Neon cation   
515 Ne2+ Neon diatomic cation 2ΣuD∞h
516 Ar2 Argon diatomic 1SgD∞h
517 Ar2+ Argon diatomic cation 2ΣuD∞h
518 Li3 Lithium trimer 2B2C2v
519 Li3+ Lithium trimer cation 1A1'D3h
520 C3 carbon trimer 1ΣgD∞h
521 C3 carbon trimer 1A1C2v
522 SiC2 Silicon dicarbide   
523 C3H3 cyclopropenyl radical 2A'Cs
524 C3H4 cyclopropene 1A1C2v
525 CH2CCH2 allene 1A1D2d
526 CH3CCH propyne 1A'C3v
527 C3H5 Allyl radical 2A2C2v
528 C3H5 Allyl radical 2A"Cs
529 C3H6 Cyclopropane 1A1'D3h
530 CH2CHCH3 Propene 1A'Cs
531 C3H7 n-Propyl radical 2A"C1
532 C3H7+ cyclopropane, protonated   
533 CH3CHCH3 Isopropyl radical 2AC2
534 CH3CHCH3+ Isopropyl cation 1AC2
535 C3H8 Propane 1A1C2v
536 Si3H8 trisilane   
537 LiCN lithium cyanide 1ΣC*V LiCN
538 LiCN lithium cyanide 1A'Cs
539 LiCN lithium cyanide 1ΣC*V LiNC
540 NaCN Sodium Cyanide 1ΣC∞v
541 NaCN Sodium Cyanide 1ACs
542 NaCN Sodium Cyanide 1ΣC∞v
543 KCN Potassium cyanide 1ΣC∞v
544 KCN Potassium cyanide 1ΣC∞v
545 KCN Potassium cyanide 1A'Cs
546 ZnCN Zinc monocyanide 2ΣC∞v
547 ZnNC Zinc isocyanide 2ΣC∞v
548 AlCN Aluminum monocyanide   
549 AlNC Aluminum isocyanide   
550 CNN Diazocarbene   
551 N3 azide radical 2ΠgD∞h
552 N3+ azide cation 3ΣgD∞h
553 N3+ azide cation 3ΣC∞v
554 HCCN cyanomethylene 3A"Cs
555 HCCN cyanomethylene 3ΣC∞v
556 HCCN cyanomethylene   
557 HN3 hydrogen azide 1A'Cs
558 HN3+ Hydrazoic acid cation   
559 HNCNH diiminomethane 1AC2
560 NH2CN cyanamide 1A1C2v
561 HNNNH+ 1,2-Triazadienium   
562 NH2NN+ hydrazoic acid, protonated   
563 CH3CN Acetonitrile 1A1C3v
564 CH3CN- acetonitrile anion 2EC3v
565 CH3CN- acetonitrile anion 2A'Cs
566 CHNCH2 2H-Azirine   
567 CHNHCH 1H-Azirine   
568 H2CCNH Ethenimine   
569 H2CNCH methyleneaminomethylene   
570 HCCNH2 Ethynamine   
571 HCNCH2+ 2H-Azirine cation   
572 HNCNH2+ diiminomethane, protonated 1A'Cs
573 NCNH3+ Cyanamide, protonated 1A1C3v
574 NH2CNH+ cyanamide, cn protonated   
575 NH3CN+ cyanamide, amine protonated   
576 CH2CHNH vinylazine 2A"CS cis
577 CH2CHNH vinylazine 2A"CS trans
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 Li2S dilithium sulfide 1ΣGD∞h
586 Li2S dilithium sulfide 1A1C2v
587 Na2O disodium monoxide 1ΣgLinear
588 Na2O disodium monoxide 1A1C2v
589 Na2S Sodium sulfide   
590 Na2S Sodium sulfide   
591 LiO2 Lithium dioxide   
592 NaO2 Sodium superoxide   
593 CCO Dicarbon monoxide 3ΣC∞v
594 CCO Dicarbon monoxide 1ΠC∞v
595 NCO isocyanato radical 2ΠC∞v
596 N2O Nitrous oxide 1ΣC∞v
597 N2O- Nitrous oxide anion 2A'Cs
598 CO2 Carbon dioxide 1ΣgD∞h
599 OCS Carbonyl sulfide 1ΣC∞v
600 CS2 Carbon disulfide 1ΣgD∞h
601 TiO2 Titanium dioxide 1A1C2v
602 SiS2 Silicon disulfide 1ΣGD∞h
603 GeO2 Germanium dioxide 1ΣgD∞h
604 OCSe Carbonyl selenide 1ΣC∞v
605 SCSe Carbon sulfide selenide   
606 CSe2 Carbon diselenide 1A1D∞h
607 NO2 Nitrogen dioxide 2A1C2v
608 NO2+ Nitrogen dioxide cation 1ΣGD∞h
609 NSO sulfinyl amidogen   
610 SNO Nitrogen oxide sulfide   
611 O3 Ozone 1A1Cs
612 SO2 Sulfur dioxide 1A1C2v
613 SSO Disulfur monoxide 1A'Cs
614 S3 Sulfur trimer 1A1C2v
615 S3 Sulfur trimer   
616 S3+ Sulfur trimer cation 2B2C2v
617 SeO2 Selenium dioxide 1A1C2v
618 SeO2+ Selenium dioxide cation 2A1C2v
619 HCCO ketenyl radical 2ΠC∞v
620 HCCO ketenyl radical 2A"Cs
621 HCNO fulminic acid 1ΣC∞v
622 HCNO fulminic acid 1A'Cs
623 HNCS Isothiocyanic acid   
624 HSCN thiocyanic acid 1A'Cs
625 HNNO+ Nitrous oxide, N-protonated 1A'Cs
626 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
627 HOCO Hydrocarboxyl radical 1A'cis
628 HOCO Hydrocarboxyl radical 1A'trans
629 O3H+ protonated ozone 1A'Cs
630 O3H+ protonated ozone   
631 SO2H+ protonated sulfur dioxide 1A'Cs
632 C2H2O Oxirene 1A1C2v
633 CH2CO Ketene 1A1C2v
634 CH2CS Thioketene   
635 Be(OH)2 Beryllium hydroxide   
636 Be(OH)2 Beryllium hydroxide   
637 NH2NO Nitrosamide 1AC1
638 H2COO Dioxymethyl radical 2A'Cs
639 H2COO+ dioxymethyl cation 2A'Cs
640 HCOOH Formic acid 1A'Cs
641 HCOOH Formic acid   
642 HSSSH trisulfane 1A'Cs
643 CH2BOH hydroxy(methylene)borane 1A'Cs
644 BH3CO Borane carbonyl 1A1C3v
645 CH3BO Borane, methyloxo- 1A1C3v
646 CH2COH+ ketene, protonated   
647 CH2NOH formaldoxime 1A'Cs
648 CH3NO nitrosomethane 1A'Cs
649 CNOH3 1,2-oxaziridine 1AC1
650 HOCHNH hydroxymethylimine 1A'CS H all up
651 CHSNH2 thioformamide   
652 NHCHSH Methanimidothioic acid   
653 C2H4O Ethylene oxide 1A1C2v
654 C2H4O+ ethylene oxide cation   
655 CH3CHO Acetaldehyde 1A'Cs
656 CH3CHO+ acetaldehyde cation   
657 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
658 C2H4S Thiirane 1A1C2v
659 CH2CHSH Ethenethiol   
660 CH3CHS Thioacetaldehyde 1A'C1
661 NH2CHOH+ Formamide, O-protonated   
662 CH3SSH Hydrogen methyl disulfide   
663 HSCH2SH Methanedithiol   
664 C2H4OH+ ethylene oxide, protonated 1A'Cs
665 CH3CHOH 1-hydroxy-ethyl radical 2AC1
666 CH3CHOH+ acetaldehyde, protonated 1A'Cs
667 NH2CH2OH aminomethanol   
668 CH3CH2OH Ethanol 1A'Cs
669 CH3OCH3 Dimethyl ether 1A1C2v
670 CH3CH2SH ethanethiol 1A'Cs
671 CH3CH2SH ethanethiol 1AC1
672 CH3SCH3 Dimethyl sulfide 1A1C2v
673 CH3SCH3+ dimethyl sulfide cation   
674 CH3SeCH3 dimethylselenide 1A1C2v
675 CuF2 Copper difluoride 2ΠgD∞h
676 CNF iso cyanogen fluoride 1ΣC∞v
677 BrCN Cyanogen bromide 1ΣC∞v
678 ICN Cyanogen iodide 1ΣC∞v
679 FBO Boron monofluoride monoxide   
680 BeBr2 Beryllium bromide   
681 CaBr2 Calcium dibromide   
682 FCO Carbonyl fluoride 2A'Cs
683 FCO+ Carbonyl fluoride cation 1ΣC∞v
684 ClCO carbonyl monochloride 2A'Cs
685 BF2 Boron difluoride radical 2A1C2v
686 FNO Nitrosyl fluoride 1A'Cs
687 ClNO Nitrosyl chloride 1A'Cs
688 FNS Thionitrosyl fluoride 1A'Cs
689 FSN Thiazyl fluoride 1A'Cs
690 OPCl Phosphorus oxychloride   
691 CF2 Difluoromethylene 1A1D∞h
692 CFCl chlorofluoromethylene 1A'Cs
693 SiF2 Silicon difluoride 1A1C2v
694 SiF2+ Silicon difluoride cation 2A1C2v
695 GeCl2 Germanium dichloride 1A1C2v
696 CBr2 dibromomethylene 1A1C2v
697 CBr2 dibromomethylene 3B1C2v
698 FOO+ Fluorine dioxide cation   
699 OClO Chlorine dioxide 2B1D∞h
700 OClO- Chlorine dioxide anion 1A'Cs
701 ClSO Sulfur chloride oxide 2A"Cs
702 BrOO Bromine dioxide   
703 OBrO Bromine dioxide radical 2B1C2v
704 PF2 Phosphorus difluoride   
705 PF2+ Phosphorus difluoride cation   
706 FClO chlorosyl fluoride 1A'Cs
707 ClOF Chlorine hypofluorite 1A'Cs
708 SF2 sulfur difluoride 1A1C2v
709 SeF2 Selenium difluoride   
710 SeCl2 Selenium Dichloride   
711 SBr2 Sulfur dibromide   
712 SeBr2 Selenium dibromide   
713 Br3- tribromide anion   
714 SFCl Sulfur chloride fluoride   
715 HCCF Fluoroacetylene 1ΣC∞v
716 HCCCl Chloroacetylene 1ΣC∞v
717 HCCBr bromoacetylene 1ΣC∞v
718 HFCO+ formyl fluoride cation 2A'Cs
719 CHCl2 dichloromethyl radical 2B1C2v
720 CHCl2 dichloromethyl radical 2A'Cs
721 CHF2 difluoromethyl radical 2ACs
722 CHF2+ difluoromethyl cation   
723 CHFCl Chlorofluoromethyl radical   
724 CHFCl+ Chlorofluoromethyl cation   
725 CHCl2+ dichloromethyl cation   
726 CHBr2 dibromomethyl radical   
727 NHF2 difluoramine   
728 NHCl2 dichloroamine   
729 CH2F2 Methane, difluoro- 1A1C2v
730 SiH2F2 difluorosilane   
731 CH2Cl2 Methylene chloride 1A1C2v
732 CH2BrF Methane, bromofluoro- 1A'Cs
733 CH2BrCl Methane, bromochloro- 1A'Cs
734 CH2FI fluoroiodomethane   
735 CH2Br2 dibromomethane 1A1C2v
736 CH2I2 Diiodomethane   
737 SiH2Cl2 dichlorosilane 1A1C2v
738 CH3MgBr Methyl Magnesium Bromide   
739 CH2CHF Ethene, fluoro- 1A'Cs
740 CH2FOH fluoromethanol   
741 CH2CH2Cl 2-chloroethyl radical 2A'Cs
742 CHClCH3 1-chloroethyl radical 2AC1
743 C2H5Br Ethyl bromide 1A'Cs
744 C2H5I Ethyl iodide   
745 B4H10 Tetraborane(10) 1A1C2v
746 C4 Carbon tetramer 3ΣgD∞h
747 C4 Carbon tetramer   
748 C4H2 Diacetylene 1ΣgD∞h
749 C4H2+ diacetlyene cation 2ΠgD∞h
750 C4H4 Tetrahedrane   
751 C4H6 1-Methylcyclopropene 1AC1
752 CHCCH2CH3 1-Butyne 1A'Cs
753 C4H8 methylcyclopropane 1A'Cs
754 CH2CHCH2CH3 1-Butene 1AC1
755 CH3CH2CH2CH3 Butane 1AgAnti
756 CH3CH2CH2CH3 Butane 1AGauche
757 Li3N trilithium nitride 1A'D3h
758 Li3N trilithium nitride 1A1C3v
759 C2N2 Cyanogen 1ΣgD∞h
760 As4 Arsenic tetramer 1A1Td
761 HCCCN+ Cyanoacetylene cation 2ΠC∞v
762 H2CNCN cyanamide, methylene   
763 HNCCNH Ethenediimine   
764 CH3N3 methyl azide 1A'Cs
765 NH2CCNH2 Diaminoacetylene 1AC2
766 NH2CH2CN Aminoacetonitrile 1A'Cs
767 CH3NHN2+ methyl azide, protonated 1AC1
768 C2H5CN ethyl cyanide 1A'Cs
769 C4H6 Bicyclo[1.1.0]butane 1A1C2v
770 H2NCHCHNH2 diaminoethylene   
771 CH7N3 triaminomethane   
772 C4H8 cyclobutane 1A1D2d
773 NH2CH2CH2CH3 1-Propanamine 1A'Cs
774 P(CH3)3 trimethylphosphine 1A1C3v
775 N(SiH3)3 trisilylamine   
776 (CH3)3NH+ protonated trimethyl amine   
777 C3H7NH3+ n-propylamine, protonated 1A'Cs
778 K2O2 dipotassium dioxide   
779 C3O Tricarbon monoxide 1ΣC∞v
780 ONNO NO dimer 1Agtrans C2H
781 ONNO NO dimer 1A1cis C2V
782 S2N2 Disulfur dinitride 1AGD2h
783 CS3-- Carbonotrithioate   
784 NO3- nitrate anion 1A1'D3h
785 SO3 Sulfur trioxide 1A1'D3h
786 SO3-- Sulfate dianion   
787 S4 Sulfur tetramer   
788 S4 Sulfur tetramer   
789 S4 Sulfur tetramer   
790 HNO3 Nitric acid 1A'Cs
791 NH2NO2 nitramide 1A'Cs
792 C3H2O Propadienal   
793 C3H2O Propadienal   
794 C2H2O2 Ethanedial 1AgC2h
795 H2SO3 Sulfurous acid 1A'Cs
796 C2H3NO Nitrosoethylene   
797 CH3NCO methylisocyante   
798 HOCH2CN cyanomethanol   
799 CH3NO2 Methane, nitro- 1A'Cs
800 NH2COOH Carbamic acid 1A'Cs
801 NH2COOH Carbamic acid 1AC1
802 H3AlO3 Aluminum hydroxide   
803 CH2CHCHO Acrolein 1A'Cs
804 CH2CHCHO Acrolein   
805 NH2CONH2 Urea 1A1C2v
806 NH2COOH2+ Carbamic acid, O-protonated 1AC1
807 NH3COOH+ protonated Carbamic acid 1A'Cs
808 CH3COCH2 Acetonyl radical 2A"Cs
809 CH2C(OH)NH2 1-amino vinyl alchohol   
810 CH3C(OH)=NH Ethaninidic acid   
811 CH3CHNOH Acetaldoxime 1A'CS cis
812 HCONHCH3 N-methylformamide 1A'CS cis
813 HCONHCH3 N-methylformamide 1A'CS trans
814 CH3CSNH2 Ethanethioamide   
815 CH5N2O+ urea, N-protonated 1A'Cs
816 H2NCOHNH2+ urea, protonated 1A'Cs
817 C3H5OH Cyclopropanol 1AC1
818 C3H6O 2-Propen-1-ol 1AC1
819 C3H6O Acetone enol 1A'Cs
820 C3H6O Oxetane 1A1C2v
821 C3H6O Oxetane 1A'Cs
822 CH3CH2CHO Propanal 1A'Cs
823 CH3COCH3 Acetone 1A1C2v
824 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
825 C3H7OH 1-Propanol   
826 CH3OC2H5 Ethane, methoxy- 1A'Cs
827 Li2F2 Lithium fluoride dimer   
828 FNO2 Nitryl fluoride 1A1C2v
829 FONO Nitrosyl hypofluorite 1A'CS cis
830 ClONO chlorine nitrite 1A'CS cis
831 CF2O Carbonic difluoride 1A1C2v
832 CF2O+ Carbonic difluoride cation   
833 BF3 Borane, trifluoro- 1A'D3h
834 BF3+ boron trifluoride cation   
835 AlF3 Aluminum trifluoride 1A1'D3h
836 BClF2 Chlorodifluoroborane   
837 ScF3 Scandium trifluoride 1A1'D3h
838 BCl3 Borane, trichloro- 1A1'D3h
839 BCl3+ Boron Trichloride cation   
840 GaF3 Gallium trifluoride 1A1'D3h
841 GaCl3 Gallium trichloride 1A1'D3h
842 CF3- Trifluoromethyl anion 1A1C3v
843 CF3+ Trifluoromethyl cation 1A1'D3h
844 CF2Cl difluorochloromethyl radical   
845 SiF3 Silicon trifluoride radical 2A1C3v
846 SiF3+ Silicon trifluoride cation 1A1'D3h
847 CFCl2 dichlorofluoromethyl radical   
848 CBr3 tribromomethyl radical   
849 ClO2F Chloryl fluoride 1A'Cs
850 ClOOCl Dichlorine dioxide 1AC2
851 SSCl2 Thiothionyl chloride   
852 NF3 Nitrogen trifluoride 1A1C3v
853 NCl3 nitrogen trichloride 1A1C3v
854 AsCl3 Arsenous trichloride 1A1C3v
855 NBr3 Nitrogen Tribromide 1A1C3v
856 NI3 Nitrogen triiodide   
857 PI3 Phosphorus triiodide   
858 ClF3 Chlorine trifluoride 1A1'D3h
859 ClF3 Chlorine trifluoride 1A1C2v
860 HClO3 Chloric Acid 1A'Cs
861 HClO3 Chloric Acid 1AC1
862 CHF3 Methane, trifluoro- 1A1C3v
863 SiHF3 trifluorosilane   
864 CHCl3 Chloroform 1A1C3v
865 CHBrF2 Methane, bromodifluoro- 1A'Cs
866 CHFClBr fluorochlorobromomethane 1AC1
867 CHBrCl2 Methane, bromodichloro- 1A'Cs
868 CHBr2F dibromofluoromethane   
869 NF3H+ protonated nitrogen trifluoride 1A1C3v
870 AsF3H+ Arsenic trifluoride, protonated   
871 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
872 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
873 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
874 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
875 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
876 C2H4F2 1,2-difluoroethane 1AgC2H anti
877 C2H4F2 1,2-difluoroethane 1AC2 gauche
878 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
879 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
880 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
881 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
882 CH2BrCH2Cl 1-bromo-2-chloroethane   
883 CH2BrCH2Cl 1-bromo-2-chloroethane   
884 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
885 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
886 CH2CHCH2F Allyl Fluoride   
887 CH2CHCH2F Allyl Fluoride   
888 CH3CHCHF trans-1-Fluoro-1-propene   
889 CH2FCH2OH 2-fluoroethanol   
890 CH2ClCH2OH 2-Chloroethanol 1A'Cs
891 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
892 CH2FCH2CH3 1-Fluoropropane 1A'Cs
893 CH2FCH2CH3 1-Fluoropropane   
894 CH3CHFCH3 2-Fluoropropane 1A'Cs
895 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
896 B5H9 pentaborane9   
897 C5H4 pentatetraene   
898 C5H6 Propellane 1A1D3h
899 C5H8 Bicyclo[1.1.1]pentane   
900 C5H8 Ethenylcyclopropane 1A'Cs
901 CH2N4 1H-Tetrazole 1A'Cs
902 C3H4N2 1H-Imidazole 1A'Cs
903 C3H4N2 2H-Imidazole 1A1C2v
904 C3H4N2 4H-Imidazole 1A'Cs
905 C4H5N Pyrrole 1A1C2v
906 C4H6N+ pyrrole, alpha-protonated 1A'Cs
907 C4H6N+ pyrrole, beta-protonated 1A'Cs
908 C4H6N+ pyrrole, protonated 1A1C2v
909 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
910 CH3CH2CH2CN Butanenitrile 1A'Cs
911 NH(C2H5)2 diethylamine 1A'Cs
912 C3O2 Carbon suboxide 1ΣGD∞h
913 B2O3 diboron trioxide   
914 B2O3 diboron trioxide   
915 MgCO3 Magnesium Carbonate 1A1C2v
916 BeCO3 Beryllium Carbonate 1A1C2v
917 CHOOCHO diformyl ether   
918 C3H3NO Isoxazole 1A'Cs
919 C3H3NO Oxazole 1A'Cs
920 C3H3NS Thiazole   
921 C4H4O Furan 1A1C2
922 CH3COCCH 3-butyn-2-one 1A'Cs
923 C4H4Se selenophene   
924 CH3OCH2CN Methoxyacetonitrile 1A'Cs
925 CH3OCH2CN Methoxyacetonitrile 1AC1
926 CH3SO2NH2 methanesulfonamide 1A'Cs
927 CH2CHSCHCH2 Divinyl sulfide   
928 HCOOC2H5 Ethyl formate 1A'Cs
929 C2H6O2S Dimethyl sulfone 1A1C2v
930 C4H8S Thiophene, tetrahydro- 1AC1
931 C4H10O Ethoxy ethane 1A1C2v
932 C4H10O Methyl propyl ether 1AC1
933 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
934 C4H9SH 1-Butanethiol   
935 BrONO2 Bromine nitrate 1A'Cs
936 CF3Cl Methane, chlorotrifluoro- 1A1C3v
937 CF2Cl2 difluorodichloromethane 1A1C2v
938 TiF4 Titanium tetrafluoride 1A1Td
939 CF3Br Bromotrifluoromethane 1A1C3v
940 GeF4 Germanium tetrafluoride 1A1Td
941 CCl4 Carbon tetrachloride 1A1Td
942 CBrCl2F bromodichlorofluoromethane   
943 CBr2ClF dibromochlorofluoromethane   
944 CBr2Cl2 dibromodichloromethane 1A1C2v
945 CCl3I trichloroiodomethane   
946 CFBr3 fluorotribromomethane 1A1C3v
947 CBr3Cl tribromochloromethane 1A1C3v
948 CBr4 Carbon tetrabromide 1A1Td
949 SiBr4 Silicon tetrabromide 1A1Td
950 GeBr4 Germanium tetrabromide   
951 ClOF3 Chlorine trifluoride oxide 1A'Cs
952 SF4 Sulfur tetrafluoride 1A1C2v
953 SeF4 Selenium tetrafluoride   
954 SCl4 Sulfur tetrachloride   
955 CH2ClCCCl 1,3-dichloropropyne   
956 CHCl2CCH 3,3-dichloropropyne   
957 CHCl2CHO dichloroacetaldehyde   
958 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
959 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
960 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
961 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
962 CH2FCH2CH2F 1,3-difluoropropane   
963 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
964 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
965 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
966 C2H2N2O Furazan   
967 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
968 NH3BF3 Amminetrifluoroboron 1A1C3v
969 C6H2 hexatriyne 1ΣgD∞h
970 C6H6 Prismane   
971 C6H6 1,2,4,5-Hexatetraene 1AgC2h
972 C6H6 Benzene 1A1gD6h
973 C6H6 Benzvalene 1A1C2v
974 C6H6 Dewar Benzene   
975 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
976 C6H7+ benzene, protonated 1A1C2v
977 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
978 C6H10 1,5-Hexadiene 1AgC2
979 C6H10 3-Hexyne 1A1C2v
980 C6H12 2,3-dimethylbut-1-ene 1A'C2
981 C6H12 hex-1-ene 1A'Cs
982 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
983 C4H2N2 Fumaronitrile 1AgC2h
984 C5H6N+ Pyridinium 1A1C2v
985 MgSO4 Magnesium Sulfate 1A1C2v
986 N2O4 Dinitrogen tetroxide 1AgD2d
987 C3H2O3 vinylene carbonate   
988 C2H2O4 Oxalic Acid 1AgC2h
989 C2H4N2S2 Ethanedithioamide 1AGC2h
990 C2H4O4 Formic acid dimer 1AGC2h
991 C2H5NO3 Nitric acid, ethyl ester 1A'C1
992 C5H6O 2H-Pyran   
993 C5H6O Pentadienal   
994 C4H6O2 γ–Butyrolactone 1AC1
995 C3H6O3 1,3,5-Trioxane 1A1C1
996 C3H6S3 1,3,5-Trithiane 1A1C3v
997 C5H8O Cyclopentanone 1AC2
998 C5H8O Methyl cyclopropyl ketone 1A'Cs
999 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1000 C4H8O2 Ethyl acetate 1A'Cs
1001 C5H10O 2-methylbutyraldehyde 1AC1
1002 C5H10O 3-Pentanone 1A1C2v
1003 C4F2 difluorobutadiyne   
1004 ClCOClCO Oxalyl chloride 1AGC2h
1005 B2Cl4 Diboron tetrachloride 1A1D2
1006 C2ClF3 Ethene, chlorotrifluoro-   
1007 CF2CCl2 difluorodichloroethylene 1A1C2v
1008 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1009 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1010 C2Br4 tetrabromoethene   
1011 CF3OF Trifluoromethylhypofluorite 1A'Cs
1012 SiF5- silicon pentafluoride anion   
1013 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1014 PF5 Phosphorus pentafluoride 1A1'D3h
1015 SF5+ pentafluoro sulfur cation 1A1'D3h
1016 IF5 pentafluoroiodine   
1017 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1018 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1019 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1020 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1021 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1022 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1023 C4H3ClO Furan, 2-chloro 1A'Cs
1024 C4H3ClO Furan,3-chloro 1A'Cs
1025 C4H8O2 Butanoic acid 1AC1
1026 C7H7 cycloheptatrienyl radical 2A2C2v
1027 C7H7+ cycloheptatrienyl cation 1A1'D7h
1028 CH(CN)3 tricyanomethane   
1029 HN=C=C(CN)2 Dicyanoketenimine   
1030 C5H4O2 furfural 1A'OCCO cis
1031 C5H4O2 furfural 1A'OCCO trans
1032 C6H6O 2,5-Cyclohexadienone 1A1C2v
1033 C5H8O2 Acetylacetone 1AC2
1034 C7H10 Norbornene   
1035 C6H12O Oxepane   
1036 F2CCCF2 tetrafluoroallene   
1037 CF3COO- trifluoro acetate anion 1A'Cs
1038 CF3COF trifluoroacetyl fluoride 1A'Cs
1039 PF6 Hexafluorophosphate neutral 2B2C2v
1040 PF6- Hexafluorophosphate ion 1A1GOh
1041 SF6 Sulfur Hexafluoride 1A1GOh
1042 SeF6 Selenium hexafluoride 1A1GOh
1043 CF3CHF2 pentafluoroethane 1A'Cs
1044 C8H8 cubane 1A1GOh
1045 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1046 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1047 S4N4 Tetrasulfur tetranitride   
1048 C6H5CHO benzaldehyde 1A'Cs
1049 C5H9NO2 Proline 1AC1
1050 C2Cl6 hexachloroethane 1A1gD3d
1051 C6H4F2 1,4-difluorobenzene 1AgD2h
1052 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1053 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1054 C6H4Cl2 1,4-dichlorobenzene   
1055 C6H5NO nitrosobenzene 1A'Cs
1056 C9H20 Nonane 1A1C2v
1057 C3H3N3O3 cyanuric acid 1A1'D3h
1058 C3F6 hexafluoropropene   
1059 C8H18O 1-Octanol   
1060 C10H8 Azulene 1A1C2v
1061 C10H8 naphthalene 1AgD2h
1062 C10H10 bullvalene   
1063 C10H22 Decane 1AGC2h
1064 B12H12-- Dodecahydrododecaborate(2-)   
1065 C12H8 biphenylene 1AgD2h
1066 C6H12O6 Inositol 1A1GD3d
1067 S2F10 disulphur decafluoride   
1068 C13H10 Fluorene   
1069 C14H14 Bibenzyl 1AC2
1070 C6H5COC6H5 benzophenone 1AC2
1071 C19H16 Triphenylmethane 1AC3
1072 C60 Buckminsterfullerene 1AGIh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 D2 Deuterium diatomic d2  
5 HD Deuterium hydride hd  
6 H3+ hydrogen trimer cation h3+  
7 He- Helium atom anion he-  
8 HeH Helium hydride heh  
9 Na- Sodium atom anion na-  
10 K- Potassium atom anion k-  
11 K+ Potassium atom cation k+  
12 Cu- Copper atom anion cu-  
13 Cu+ Copper atom cation cu+  
14 LiH- lithium hydride anion lih-  
15 NaH sodium hydride nah  
16 NaH- sodium hydride anion nah-  
17 NaH+ sodium hydride cation nah+  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Be- Beryllium atom anion be-  
21 Mg- Magnesium atom anion mg-  
22 Ca- Calcium atom anion ca-  
23 Ca+ Calcium atom cation ca+  
24 Zn- Zinc atom anion zn-  
25 Zn+ Zinc atom cation zn+  
26 BeH- berylium monohydride anion beh-  
27 BeH+ beryllium monohydride cation beh+  
28 MgH- magnesium monohydride anion mgh-  
29 MgH+ magnesium monohydride cation mgh+  
30 CaH Calcium monohydride cah  
31 CaH+ Calcium monohydride cation cah+  
32 ZnH Zinc monohydride znh  
33 BeH2 beryllium dihydride beh2  
34 ZnH2 Zinc hydride znh2  
35 B- Boron atom anion b-  
36 BH- boron monohydride anion bh-  
37 BH+ boron monohydride cation bh+  
38 AlH aluminum monohydride alh  
39 AlH- aluminum monohydride anion alh-  
40 AlH+ aluminum monohydride cation alh+  
41 BH2 boron dihydride bh2  
42 BH2- boron dihydride anion bh2-  
43 BH2+ Boron dihydride cation bh2+  
44 AlH2 aluminum dihydride alh2  
45 AlH2- aluminum dihydride anion alh2-  
46 AlH2+ aluminum dihydride cation alh2+  
47 BH3 boron trihydride bh3  
48 BH3- boron trihydride anion bh3-  
49 AlH3+ aluminum trihydride cation alh3+  
50 GaH3 Gallium trihydride gah3  
51 AlH4- Aluminum tetrahydride anion alh4-  
52 C- Carbon atom anion c-  
53 Ti- Titanium atom anion ti-  
54 Ti+ Titanium atom cation ti+  
55 Sn Tin atom sn  
56 Sn+ Tin cation sn+  
57 CH- methylidyne anion ch-  
58 CH+ Methylidyne cation ch+  
59 SiH- silicon monohydride anion sih-  
60 SiH2 silicon dihydride sih2  
61 SiH2- silicon dihydride anion sih2-  
62 SiH2+ silicon dihydride cation sih2+  
63 GeH2- germylene anion geh2-  
64 SiH3- Silyl anion sih3-  
65 CD4 methane-d4 cd4  
66 CH2D2 methane-d2 ch2d2  
67 CH3D methane-d ch3d  
68 CH4+ Methane cation ch4+  
69 CHD3 methane-d3 chd3  
70 SiH4+ Silane cation sih4+  
71 SnH4 Stannane snh4  
72 N- Nitrogen atom anion n-  
73 P- Phosphorus atom anion p-  
74 P+ Phosphorus atom cation p+  
75 Sb Antimony atom sb  
76 NH Imidogen nh  
77 NH- Imidogen anion nh-  
78 NH+ imidogen cation nh+  
79 PH- phosphorus monohydride anion ph-  
80 PH+ phosphorus monohydride cation ph+  
81 AsH+ Arsenic monohydride cation ash+  
82 SbH Antimony monohydride sbh  
83 ND2 Amidogen-d2 nd2  
84 NH2- amino anion nh2-  
85 PH2 Phosphino radical ph2  
86 PH2- Phosphino anion ph2-  
87 PH2+ Phosphino cation ph2+  
88 AsH2 Arsenic dihydride ash2  
89 AsH2+ Arsenic dihydride cation ash2+  
90 ND3 Ammonia-d3 nd3  
91 SbH3 Stibine sbh3  
92 O- Oxygen atom anion o-  
93 Cr Chromium atom cr  
94 Te Tellurium atom te  
95 Te+ Tellurium atom cation te+  
96 DO Hydroxyl-d od  
97 DS Mercapto-d ds  
98 TeH Telluryl radical teh  
99 D2O Deuterium oxide d2o  
100 D2S Hydrogen sulfide-d2 d2s  
101 H2S- Hydrogen sulfide anion h2s-  
102 H2Te Hydrogen Telluride h2te  
103 Mn Manganese atom mn  
104 I Iodine atom iodine  
105 I- Iodine atom anion iodine-  
106 I+ Iodine atom cation iodine+  
107 DF Hydrofluoric acid-d df  
108 DCl Hydrochloric acid-d dcl  
109 HI Hydrogen iodide hi  
110 H2F+ dihydrogen fluoride cation h2f+  
111 Ne- Neon atom anion ne-  
112 Ar- Argon atom anion ar-  
113 Ar+ Argon atom cation ar+  
114 Fe Iron atom fe  
115 Xe Xenon atom xe  
116 NeH+ neon hydrogen cation neh+  
117 XeH+ Xenon, protonated xeh+  
118 Co Cobalt atom cobalt  
119 Ni Nickel atom ni  
120 Li2 Lithium diatomic li2  
121 Li2- lithium diatomic anion li2-  
122 NaLi- lithium sodium anion lina-  
123 NaLi+ lithium sodium cation lina+  
124 LiK Lithium Potassium lik  
125 NaK Sodium Potassium nak  
126 K2 Potassium diatomic k2  
127 Cu2 Copper diatomic cu2  
128 LiBe Lithium Beryllium libe  
129 LiMg Lithium magnesium limg  
130 NaBe Sodium Beryllium nabe  
131 NaMg Sodium Magnesium namg  
132 Be2 Beryllium diatomic be2  
133 Be2- Beryllium diatomic anion be2-  
134 Be2+ Beryllium diatomic cation be2+  
135 Mg2 Magnesium diatomic mg2  
136 Mg2- magnesium diatomic anion mg2-  
137 Mg2+ magnesium diatomic cation mg2+  
138 Ca2 Calcium diatomic ca2  
139 B2- Boron diatomic anion b2-  
140 Al2 Aluminum diatomic al2  
141 Al2- aluminum diatomic anion al2-  
142 Al2+ aluminum diatomic cation al2+  
143 LiBH4 Lithium borohydride libh4  
144 Al2H6 dialane al2h6  
145 LiC Lithium Carbide lic  
146 BC boron monocarbide bc  
147 BC- boron monocarbide anion bc-  
148 BC+ boron monocarbide cation bc+  
149 C2- carbon diatomic anion c2-  
150 SiC silicon monocarbide sic  
151 SiC- silicon monocarbide anion sic-  
152 SiC+ silicon monocarbide cation sic+  
153 Si2 Silicon diatomic si2  
154 Si2- silcon diatomic anion si2-  
155 Si2+ silcon diatomic cation si2+  
156 Ge2 Germanium diatomic ge2  
157 C2H+ Ethynyl cation c2h+  
158 ZnCH2 Zinc methylene znch2  
159 CCH2 vinylidene vinylidene  
160 CuCH3 monomethyl copper cuch3  
161 ZnCH3 Zinc monomethyl znch3  
162 CH3CH methylmethylene ch3ch  
163 CH2SiH2 silaethylene ch2sih2  
164 C2H5- Ethyl anion c2h5-  
165 C2H5+ Ethyl cation c2h5+  
166 C2H6+ ethane cation c2h6+  
167 CH3SiH3 methyl silane ch3sih3  
168 GeH3CH3 methyl germane geh3ch3  
169 C2H7+ Ethane, protonated c2h7+  
170 LiN+ Lithium Nitride cation lin+  
171 BeN Beryllium mononitride ben  
172 BeN- Beryllium mononitride anion ben-  
173 BN- boron nitride anion bn-  
174 AlN- aluminum mononitride anion aln-  
175 AlN+ aluminum mononitride cation aln+  
176 GaN Gallium mononitride gan  
177 BN+ boron nitride cation bn+  
178 AlN Aluminum nitride aln  
179 CN+ Cyano cation cn+  
180 CP Carbon monophosphide cp  
181 CP- carbon monophosphide anion cp-  
182 CP+ carbon monophosphide cation cp+  
183 SiN Silicon nitride sin  
184 SiN- silicon mononitride anion sin-  
185 SiN+ silicon mononitride cation sin+  
186 SiP- Silicon monophosphide anion sip-  
187 SiP+ Silicon monophosphide cation sip+  
188 TiN Titanium mononitride tin  
189 N2+ diatomic nitrogen cation n2+  
190 PN- phosphorus nitride anion pn-  
191 PN+ phosphorus nitride cation pn+  
192 P2 Phosphorus diatomic p2  
193 P2- phosphorus diatomic anion p2-  
194 P2+ phosphorus diatomic cation p2+  
195 AsN Arsenic mononitride asn  
196 AsP Arsenic monophosphide asp  
197 SbN Antimony nitride sbn  
198 As2 Arsenic diatomic as2  
199 HNB hydrogen nitrogen boron hnb  
200 HNC hydrogen isocyanide hnc  
201 HCN- Hydrogen cyanide anion hcn-  
202 HCP Phosphaethyne hcp  
203 NNH Dinitrogen monohydride nnh  
204 HPO Hydrogen phosphorus oxide hpo  
205 HPO+ Hydrogen phosphorus oxide cation hpo+  
206 CNH2 Aminomethylidyne radical cnh2  
207 CNH2+ N-protonated hydrogen isocyanide cnh2+  
208 H2CN Dihydrogen cyanide radical h2cn  
209 H2CN+ hydrocyanonium cation h2cn+  
210 HCNH methyleneazane hcnh  
211 HCNH+ N-protonated HCN hcnh+  
212 CH2PH Phosphaethene ch3p  
213 P2H4 Diphosphine p2h4  
214 CH3PH2 Methyl phosphine ch3ph2  
215 CH3NH3+ protonated methylamine ch3nh3+  
216 NH3NH3 Ammonia Dimer nh3nh3  
217 LiO- lithium oxide anion lio-  
218 LiO+ lithium oxide cation lio+  
219 NaO- sodium oxide anion nao-  
220 NaO+ sodium oxide cation nao+  
221 CuO Copper Monoxide cuo  
222 BeO beryllium oxide beo  
223 BeO- Beryllium monoxide anion beo-  
224 BeO+ Beryllium monoxide cation beo+  
225 BeS beryllium sulfide bes  
226 MgO magnesium oxide mgo  
227 MgO- magnesium oxide anion mgo-  
228 MgO+ magnesium oxide cation mgo+  
229 MgS magnesium sulfide mgs  
230 MgS- magnesium sulfide anion mgs-  
231 MgS+ magnesium sulfide cation mgs+  
232 ZnO zinc monoxide zno  
233 ZnS Zinc sulfide zns  
234 BeS- Beryllium monosulfide anion bes-  
235 BeS+ Beryllium monosulfide cation bes+  
236 BO- boron monoxide anion bo-  
237 AlO Aluminum monoxide alo  
238 AlO- Aluminum monoxide anion alo-  
239 AlO+ aluminum monoxide cation alo+  
240 BS boron sulfide bs  
241 BS- boron monosulfide anion bs-  
242 BS+ boron monosulfide cation bs+  
243 AlS Aluminum sulfide als  
244 AlS- aluminum monosulfide anion als-  
245 AlS+ aluminum monosulfide cation als+  
246 BO+ boron monoxide cation bo+  
247 CS carbon monosulfide cs  
248 CS- carbon monosulfide anion cs-  
249 CS+ carbon monosulfide cation cs+  
250 SiO- silicon monoxide anion sio-  
251 SiO+ silicon monoxide cation sio+  
252 SiS- silicon monosulfide anion sis-  
253 SiS+ silicon monosulfide cation sis+  
254 CSe- Carbon monoselenide anion cse-  
255 CSe+ Carbon monoselenide cation cse+  
256 NS- nitrogen sulfide anion ns-  
257 NS+ nitrogen sulfide cation ns+  
258 PO- phosphorus monoxide anion po-  
259 PO+ phosphorus monoxide cation po+  
260 PS- phosphorus monosulfide anion ps-  
261 PS+ phosphorus monosulfide cation ps+  
262 AsO Arsenic monoxide aso  
263 O2+ diatomic oxygen cation o2+  
264 SO- sulfur monoxide anion so-  
265 S2- sulfur diatomic anion s2-  
266 S2+ sulfur diatomic cation s2+  
267 SeO- selenium monoxide anion seo-  
268 SeO+ selenium monoxide cation seo+  
269 SeS Selenium monosulfide ses  
270 SeS- selenium monosulfide anion ses-  
271 SeS+ selenium monosulfide cation ses+  
272 TeO Tellurium monoxide teo  
273 Se2- selenium diatomic anion se2-  
274 Se2+ selenium diatomic cation se2+  
275 Te2 Tellurium diatomic te2  
276 NaOH sodium hydroxide naoh  
277 MgOH magnesium hydroxide mgoh  
278 CaOH Calcium monohydroxide caoh  
279 HCS Thioformyl radical hcs  
280 HCS- Thioformyl anion hcs-  
281 HCS+ Thioformyl cation hcs+  
282 HNO- Nitrosyl hydride anion hno-  
283 HNS Sulfur imide hns  
284 HNS- Sulfur imide anion hns-  
285 HO2- Hydroperoxy anion ho2-  
286 HS2 Thiosulfeno radical hs2  
287 HOCH hydroxycarbene hoch  
288 H2O2+ Hydrogen peroxide cation h2o2+  
289 CH3O Methoxy radical ch3o  
290 CH3S thiomethoxy ch3s  
291 NH3O Ammonia Oxide nh3o  
292 H2POH Phosphinous acid h2poh  
293 H3PO Phosphine oxide h3po  
294 H3O2+ hydrogen peroxide, protonated h3o2+  
295 CH3SeH Methane selenol ch3seh  
296 CH3OH2+ Methanol, protonated ch3oh2+  
297 H2ONH3 Water Ammonia Dimer h2onh3  
298 LiCl- lithium chloride anion licl-  
299 LiCl+ lithium chloride cation licl+  
300 NaF- sodium fluoride anion naf-  
301 KF Potassium Fluoride kf  
302 NaCl- sodium chloride anion nacl-  
303 NaCl+ sodium chloride cation nacl+  
304 KCl Potassium Chloride kcl  
305 CuF Copper monofluoride cuf  
306 LiBr- lithium bromide anion libr-  
307 LiBr+ lithium bromide cation libr+  
308 CuCl Copper monochloride cucl  
309 NaBr Sodium Bromide nabr  
310 NaBr- sodium bromide anion nabr-  
311 NaBr+ sodium bromide cation nabr+  
312 KBr Potassium Bromide kbr  
313 KI Potassium Iodide ki  
314 LiF- lithium fluoride anion lif-  
315 BeF Beryllium monofluoride bef  
316 BeF- Beryllium monofluoride anion bef-  
317 BeF+ Beryllium monofluoride cation bef+  
318 BeCl beryllium monochloride becl  
319 MgF Magnesium monofluoride mgf  
320 MgF- magnesium fluoride anion mgf-  
321 CaF Calcium monofluoride caf  
322 MgCl magnesium monochloride mgcl  
323 MgCl- magnesium monochloride anion mgcl-  
324 MgCl+ magnesium monochloride cation mgcl+  
325 CaCl calcium monochloride cacl  
326 ZnF- Zinc monofluoride anion znf-  
327 ZnF+ Zinc monofluoride cation znf+  
328 ZnCl Zinc monochloride zncl  
329 BeCl- beryllium monochloride anion becl-  
330 BeCl+ beryllium monochloride cation becl+  
331 BF- Boron monofluoride anion bf-  
332 BF+ Boron monofluoride cation bf+  
333 AlF- Aluminum monofluoride anion alf-  
334 AlF+ Aluminum monofluoride cation alf+  
335 BCl boron monochloride bcl  
336 BCl- boron monochloride anion bcl-  
337 BCl+ boron monochloride cation bcl+  
338 AlCl Aluminum monochloride alcl  
339 AlCl- aluminum monochloride anion alcl-  
340 AlCl+ aluminum monochloride cation alcl+  
341 BBr Boron monobromide bbr  
342 AlI Aluminum monoiodide ali  
343 CF- carbon monofluoride anion cf-  
344 CF+ carbon monofluoride cation cf+  
345 CCl carbon monochloride ccl  
346 CCl- carbon monochloride anion ccl-  
347 CCl+ carbon monochloride cation ccl+  
348 SiF- silicon monofluoride anion sif-  
349 SiCl- silicon monochloride anion sicl-  
350 SiCl+ silicon monochloride cation sicl+  
351 NF nitrogen fluoride nf  
352 NF- nitrogen monofluorine anion nf-  
353 NF+ nitrogen monofluoirde cation nf+  
354 NCl- nitrogen monochloride anion ncl-  
355 NCl+ nitrogen monochloride cation ncl+  
356 PF phosphorus monofluoride pf  
357 PF- phosphorus monofluoride anion pf-  
358 PF+ phosphorus monofluoride cation pf+  
359 PCl phosphorus chloride pcl  
360 PCl- phosphorus monochloride anion pcl-  
361 PCl+ phosphorus monochloride cation pcl+  
362 NBr nitrogen monobromide nbr  
363 SbF Antimony monofluoride sbf  
364 SbCl Antimony monochloride sbcl  
365 FO- flourine oxide anion fo-  
366 FO+ fluorine monoxide cation fo+  
367 ClO- chlorine monoxide anion clo-  
368 SF- sulfur monofluoride anion sf-  
369 SCl- sulfur monochloride anion scl-  
370 BrO- Bromine monoxide anion bro-  
371 IO Iodine monoxide io  
372 ClF- clorine monofluoride anion clf-  
373 Cl2- chlorine diatomic anion cl2-  
374 BrF- bromine fluoride anion brf-  
375 BrF+ bromine fluoride cation brf+  
376 BrCl- bromine chloride anion brcl-  
377 BrCl+ bromine chloride cation brcl+  
378 I2 Iodine diatomic i2  
379 HCCl Chloromethylene hccl  
380 CHBr bromomethylene chbr  
381 DOCl Hypochlorous acid-d docl  
382 HOBr Hypobromous acid hobr  
383 HOBr+ Hypobromous acid cation hobr+  
384 HOI Hypoiodous acid hoi  
385 FHF Hydrogen difluoride fhf  
386 FHF- Hydrogen difluoride anion fhf-  
387 NH2F monofluoroamine nh2f  
388 H2F2 Hydrogen fluoride dimer h2f2  
389 CD3F methylfluoride-d3 cd3f  
390 CD3Cl methyl chloride d3 cd3cl  
391 CH3I methyl iodide ch3i  
392 SiH3I Silyl Iodide sih3i  
393 Ne2 Neon diatomic ne2  
394 C3+ carbon trimer cation c3+  
395 C3H3 Propargyl radical propargyl  
396 C3H3- Propargyl anion c3h3-  
397 C3H3+ cyclopropenyl cation cpr+  
398 C3H3+ Propargyl cation c3h3+  
399 C3H5+ Allyl cation allyl+  
400 CH3CHCH 1-propenyl radical ch3chch  
401 Zn(CH3)2 dimethyl zinc dmz  
402 SiH2(CH3)2 dimethylsilane dms  
403 CuCN Copper cyanide cucn  
404 CN2 3H-Diazirin-3-ylidene cn2  
405 NCN Cyanoimidogen ncn  
406 N3- azide anion n3-  
407 HCNN diazomethyl radical hcnn  
408 CH2N2 diazirine ch2n2  
409 CH2NN diazomethane ch2nn  
410 CH3CN+ Acetonitrile cation ch3cn+  
411 CH3NC methyl isocyanide ch3nc  
412 CH3CHN methylmethaniminyl radical ch3chn  
413 NHCHNH2 aminomethanimine cn2h4  
414 C2H5N Aziridine c2h5n  
415 CH2CHNH2 aminoethene aminoethene  
416 CH2NCH3 N-methylmethanimine nmm  
417 CH3CHNH ethanimine ethanimine  
418 NH2BHNH2 diaminoborane nh2bhnh2  
419 NH2CH2NH2 diaminomethane nh2ch2nh2  
420 CH3NHCH3 Dimethylamine ch3nhch3  
421 NH2CH2NH3+ diaminoethane, protonated pdam  
422 Li2O+ dilithium oxide cation li2o+  
423 CNO- fulminate cno-  
424 NCO- cyanate nco-  
425 SCN thiocyanato radical scn  
426 SCN- thiocyanide anion scn-  
427 BO2 Boron dioxide bo2  
428 BO2- Boron dioxide anion bo2-  
429 BO2+ Boron dioxide cation bo2+  
430 N2O+ Nitrous oxide cation n2o+  
431 NNS Nitrogen sulfide nns  
432 PPO Phosphorus oxide phosphide ppo  
433 CO2- Carbon dioxide anion co2-  
434 CO2+ Carbon dioxide cation co2+  
435 OCS+ Carbonyl sulfide cation cos+  
436 SiO2 silicon dioxide sio2  
437 CS2- Carbon disulfide anion cs2-  
438 CS2+ Carbon disulfide cation cs2+  
439 GeS2 Germanium disulfide ges2  
440 SCTe Carbon sulfide Telluride scte  
441 NO2- Nitrogen dioxide anion no2-  
442 PO2 Phosphorus dioxide po2  
443 PO2- Phosphorus dioxide anion po2-  
444 PO2+ Phosphorus dioxide cation po2+  
445 AsO2 Aresenic dioxide aso2  
446 O3- Ozone anion o3-  
447 O3+ Ozone cation o3+  
448 SO2- Sulfur dioxide anion so2-  
449 SO2+ Sulfur dioxide cation so2+  
450 S3- Sulfur trimer anion s3-  
451 TeO2 Tellurium Dioxide teo2  
452 CS2H+ Carbon disulfide, protonated cs2h+  
453 HNCO Isocyanic acid hnco  
454 HOCN cyanic acid hocn  
455 HCO2- formate anion hco2-  
456 HNNO nitrosoazane hnno  
457 HCOO formate neutral radical hcoo  
458 HOCO+ Hydrocarboxyl cation hoco+  
459 HNO2 Nitrous acid hno2  
460 HNO2+ nitrous acid cation hno2+  
461 CH2CO+ Ketene cation ch2co+  
462 HCCOH ethynol hccoh  
463 Mg(OH)2 Magnesium dihydroxide h2mgo2  
464 CH2O2 Dioxirane diox  
465 H2O3 Hydrogen trioxide h2o3  
466 NaOCH3 Sodium methoxide naoch3  
467 CH2CHO Vinyloxy radical ch2cho  
468 CH3CO Acetyl radical ch3co  
469 CH3CO- Acetyl anion ch3co-  
470 CH3CO+ acetyl cation ch3co+  
471 CHONH2 formamide formamide  
472 CH2OOH CH2OOH radical ch2ooh  
473 CH3OO methylperoxy radical ch3oo  
474 CH3OO- methylperoxy anion ch3oo-  
475 CH3OO+ methylperoxy cation ch3oo+  
476 CH2CHOH ethenol ch2choh  
477 H2CONH2+ protonated formamide h2conh2+  
478 NH3CHO+ Formamide, N-Protonated nh3cho+  
479 CH2(OH)2 methanediol ch2o2h2  
480 CH3OOH Methyl peroxide ch3ooh  
481 H2OH2CO water formaldehyde dimer h2oh2co  
482 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
483 CH3CH2O Ethoxy radical ethoxy  
484 CH3OCH2 methoxymethyl radical ch3och2  
485 CH3OHH2O methanol water dimer ch3ohh2o  
486 H2OCH3OH water methanol dimer h2och3oh  
487 ZnF2 Zinc difluoride znf2  
488 FCN Cyanogen fluoride fcn  
489 ClCN chlorocyanogen clcn  
490 BeF2 Beryllium fluoride bef2  
491 MgF2 Magnesium fluoride mgf2  
492 BeCl2 Beryllium chloride becl2  
493 MgCl2 Magnesium dichloride mgcl2  
494 CaCl2 Calcium Chloride cacl2  
495 ZnCl2 Zinc dichloride zncl2  
496 CaF2 Calcium difluoride caf2  
497 BrNO Nitrosyl bromide brno  
498 INO Nitrosyl iodide ino  
499 CF2- Difluoromethylene anion cf2-  
500 CF2+ Difluoromethylene cation cf2+  
501 CCl2 dichloromethylene ccl2  
502 CCl2- dichloromethylene anion ccl2-  
503 CCl2+ dichloromethylene cation ccl2+  
504 SiCl2 Dichlorosilylene sicl2  
505 GeF2 Germanium difluoride gef2  
506 FOO Dioxygen monofluoride radical foo  
507 ClOO chloroperoxy radical cloo  
508 ClOO+ chloroperoxy cation cloo+  
509 OClO+ Chlorine dioxide cation oclo+  
510 ClS2 Sulfur chloride cls2  
511 NF2 Difluoroamino radical nf2  
512 NF2+ Difluoroamino cation nf2+  
513 F2O Difluorine monoxide f2o  
514 SF2- sulfur difluoride anion sf2-  
515 SF2+ sulfur difluoride cation sf2+  
516 Cl2O Dichlorine monoxide cl2o  
517 SCl2 Sulfur dichloride scl2  
518 BrOCl Bromine hypochlorite brocl  
519 BrOBr Bromine oxide brobr  
520 F3- trifluoride anion f3-  
521 Cl3- trichloride anion cl3-  
522 I3- triiodide i3-  
523 HCCF+ fluoroacetylene cation hccf+  
524 HFCO formyl fluoride hfco  
525 COHCl Formyl chloride cohcl  
526 COHBr Formyl bromide cohbr  
527 BHF2 Difluoroborane bhf2  
528 BHCl2 Borane, dichloro- bhcl2  
529 HOClO Chlorous acid hoclo  
530 CH2FCl fluorochloromethane ch2fcl  
531 CH2ClI chloroiodomethane ch2cli  
532 CH2BrI bromoiodomethane ch2bri  
533 CH2CHF+ fluoroethene cation ch2chf+  
534 C2H3Cl Ethene, chloro- ch2chcl  
535 C2H3Br vinyl bromide c2h3br  
536 C2H3I Vinyl iodide c2h3i  
537 CH3OCl methyl hypochlorite ch3ocl  
538 C2H5F fluoroethane c2h5f  
539 CH3CH2Cl Ethyl chloride c2h5cl  
540 CH3SiFH2 fluoromethylsilane ch3sifh2  
541 KrF2 Krypton difluoride krf2  
542 XeF2 Xenon difluoride xef2  
543 C4+ Carbon tetramer cation c4+  
544 C2H3CCH 1-Buten-3-yne c2h3cch  
545 C4H4 cyclobutadiene cbd  
546 H2CCCCH2 Butatriene h2cccch2  
547 C4H6 Cyclobutene c822355  
548 C4H6 Methylenecyclopropane c6142730  
549 CH2CCHCH3 1,2-Butadiene butad12  
550 CH2CHCHCH2 1,3-Butadiene c106990  
551 CH3CCCH3 2-Butyne c503173  
552 CH3CHCHCH2 methylallyl radical c4h7  
553 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
554 CH3CHCHCH3 2-Butene, (E)- bute2e  
555 CH3CHCHCH3 2-Butene, (Z)- bute2z  
556 B(CH3)3 trimethylborane bme3  
557 Al(CH3)3 trimethyl aluminum tma  
558 C(CH3)3 Tert-butyl radical tbutyl  
559 CH2CH(CH3)2 Isobutyl radical isobutyl  
560 CH3CHCH2CH3 2-Butyl radical butyl2  
561 CH3CH(CH3)CH3 Isobutane isobutane  
562 SiH(CH3)3 trimethylsilane trimsi  
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 As(CH3)3 trimethyl arsine tmas  
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 CH3COO- acetate anion ch3coo-  
597 CH3ONO Methyl nitrite ch3ono  
598 H3BO3 Boric acid h3bo3  
599 H3CO3+ carbonic acid, protonated h3co3+  
600 C3H4O 2-Propyn-1-ol c107197  
601 C3H4O allenol c9000071  
602 C3H4O Cyclopropanone cpone  
603 C3H4O Methylketene c6004440  
604 NH2CONH2+ Urea cation urea+  
605 NH2CSNH2 Thiourea thiourea  
606 C2H4O2 1,3-dioxetane c2h4o2  
607 CH3COOH Acetic acid ch3cooh  
608 CH3OCHO methyl formate ch3ocho  
609 CHOCH2OH hydroxy acetaldehyde haa  
610 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
611 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
612 HCOOHH2O Formic acid water dimer hcoohh2o  
613 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
614 CH3CONH2 Acetamide acetamide  
615 C2H5OO ethylperoxy radical c2h5oo  
616 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
617 C3H6O Propylene oxide prox  
618 CH3COCH3- acetone anion ch3coch3-  
619 C3H6S Thietane thietane  
620 C3H6S Thiirane, methyl- methiirane  
621 CH3CSCH3 Thioacetone ch3csch3  
622 C2H6O2 1,2-Ethanediol ethdiol  
623 CH3OOCH3 dimethylperoxide dmp  
624 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
625 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
626 CH3COHCH3+ acetone, protonated acetoneh+  
627 HOCH2CH2NH2 monoethanolamine mea  
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- anion bf3-  
647 AlF2Cl Aluminum chloride difluoride alclf2  
648 AlFCl2 Aluminum dichloride fluoride alcl2f  
649 AlCl3 Aluminum trichloride alcl3  
650 BBr3 Boron tribromide bbr3  
651 AlBr3 Aluminum Bromide albr3  
652 ClO3 Chlorine trioxide clo3  
653 ClO3- chlorate anion clo3-  
654 BrO3- Bromate anion bro3-  
655 CF3 Trifluoromethyl radical cf3  
656 CCl3 Trichloromethyl radical ccl3  
657 CCl3- Trichloromethyl anion ccl3-  
658 CCl3+ Trichloromethyl cation ccl3+  
659 SiCl3 trichlorosilyl radical sicl3  
660 SiCl3+ trichlorosilyl cation sicl3+  
661 FOOF Perfluoroperoxide foof  
662 F2SO Thionyl Fluoride f2so  
663 FSSF Difluorodisulfane fssf  
664 S2F2 Thio-thionyl fluoride s2f2  
665 SOCl2 thionyl chloride socl2  
666 SeOCl2 selenium oxychloride seocl2  
667 NF3- Nitrogen trifluoride anion nf3-  
668 NF3+ Nitrogen trifluoride cation nf3+  
669 PF3 Phosphorus trifluoride pf3  
670 AsF3 Arsenic trifluoride asf3  
671 PCl3 Phosphorus trichloride pcl3  
672 SbF3 Antimony Trifluoride sbf3  
673 SbCl3 Antimony Trichloride sbcl3  
674 PBr3 Phosphorus tribromide pbr3  
675 AsBr3 Arsenic tribromide asbr3  
676 ClSSCl Disulfur dichloride s2cl2  
677 SF3 Sulfur trifluoride sf3  
678 BrF3 Bromine trifluoride brf3  
679 IF3 iodone trifluoride if3  
680 CHF2Cl difluorochloromethane chf2cl  
681 CHFCl2 fluorodichloromethane chfcl2  
682 CDCl3 trichloromethane-d cdcl3  
683 SiHCl3 Trichlorosilane sihcl3  
684 CHF2I difluoroiodomethane chf2i  
685 CHFClI fluorochloroiodomethane chfcli  
686 CHCl2I dichloroiodomethane chcl2i  
687 CHClBr2 Methane, dibromochloro- chclbr2  
688 CHBr3 bromoform chbr3  
689 CHI3 Iodoform chi3  
690 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
691 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
692 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
693 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
694 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
695 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
696 C2H2Br2 1,1-dibromoethene c2h2br2  
697 CH2FCHO Fluoroacetaldehyde ch2fcho  
698 CH3COF Acetyl fluoride ch3cof  
699 CH2ClCHO chloroacetaldehyde ch2clcho  
700 CH3COCl Acetyl Chloride ch3cocl  
701 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
702 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
703 CH2CFCH3 2-fluoropropene 2fpro  
704 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
705 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
706 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
707 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
708 CH3CH2CH2Br n-propyl bromide prbr  
709 CH3CHBrCH3 i-propyl bromide iprbr  
710 C3H9O+ trimethyl oxonium cation c3h9o+  
711 C5H5 cyclopentadienyl radical c5h5  
712 C5H5- cylopentadienyl anion c5h5-  
713 C5H6 1,3-Cyclopentadiene c542927  
714 C5H6 1-Buten-3-yne, 2-methyl- c78808  
715 C5H6 3-Penten-1-yne, (E)- c2004695  
716 C5H6 3-Penten-1-yne, (Z)- c1574409  
717 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
718 C5H6 Cyclopropylacetylene c6746947  
719 C5H7 1,3-pentadienyl radical pdyl  
720 C5H7 cyclopentenyl radical cpyl  
721 C5H8 1,2-Butadiene, 3-methyl- c598254  
722 C5H8 1,2-Pentadiene c591957  
723 C5H8 1,3-Butadiene, 2-methyl- c78795  
724 C5H8 1,3-Pentadiene, (E)- c2004708  
725 C5H8 1,3-Pentadiene, (Z)- c1574410  
726 C5H8 1,4-Pentadiene c591935  
727 C5H8 1-pentyne a1pentyne  
728 C5H8 2,3-Pentadiene c591968  
729 C5H8 Cyclobutane, methylene- c1120565  
730 C5H8 Cyclopentene c142290  
731 CH3CCCH2CH3 2-Pentyne 2pentyne  
732 C5H10 1-Butene, 2-methyl- c563462  
733 C5H10 2-Butene, 2-methyl- c513359  
734 C5H10 2-Pentene, (E)- c646048  
735 C5H10 2-Pentene, (Z)- c627203  
736 C5H10 Cyclopentane c287923  
737 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
738 CH2CHCH2CH2CH3 1-pentene pentene  
739 C5H11 2-Methylbut-2-yl radical c4348350  
740 C5H12 Butane, 2-methyl- buta2  
741 C5H12 Pentane pentane  
742 C5H12 Propane, 2,2-dimethyl- neopentane  
743 Si(CH3)4 tetramethylsilane tms  
744 N2O3 Dinitrogen trioxide n2o3  
745 C3H2N2 Malononitrile c3h2n2  
746 C3H3N2 imidazolyl radical im  
747 C3H3N2- imidizolyl anion im-  
748 C2H3N3 1H-1,2,4-Triazole c288880  
749 C4H4N pyrrolide radical c4h4n  
750 C4H4N- pyrrolide anion c4h4n-  
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 HSO4- bisulfate anion hso4-  
776 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
777 C3H2O2 Propiolic acid c3h2o2  
778 CHOCOOH oxo acetic acid oaa  
779 H2SO4 Sulfuric acid h2so4  
780 H2SeO4 Selenic acid h2seo4  
781 CH3C(O)OO acetyl peroxy radical ch3coo2  
782 CH3NO3 Methyl nitrate ch3no3  
783 H3PO4 Phosphoric Acid h3po4  
784 C4H4O+ Furan cation furan+  
785 C4H4S Thiophene furans  
786 C3H4O2 β–Propiolactone beta  
787 C3H4O2 2-Propenoic acid propenoic2  
788 C3H4O2 Methyl glyoxal megly  
789 C3H4O2 propanedial propanedial  
790 C3H4O2 propenalol propenalol  
791 HOCHCCHOH allenediol aldiol  
792 C2H4O3 1,2,3-trioxolane c2h4o3  
793 C2H4O3 trioxolane124 triox  
794 HOCH2COOH Hydroxyacetic acid hac  
795 CH2CHCONH2 Acrylamide c79061  
796 CH5N3S Hydrazinecarbothioamide c79196  
797 H2NCH2COOH Glycine glycine  
798 C4H6O cis-2-butenal butenal2c  
799 C4H6O Cyclobutanone cbutone  
800 C4H6O Furan, 2,3-dihydro- furan23h  
801 C4H6O Furan, 2,5-dihydro- furan25h  
802 CH2CHOCHCH2 Vinyl ether vinylether  
803 CHOCHCHCH3 2-Butenal butenal2  
804 C4H6S Thiophene, 2,3-dihydro- thiop23h  
805 C4H6S Thiophene, 2,5-dihydro- thiop25h  
806 C2H6N2O Urea, methyl- c598505  
807 C3H6O2 1,3-Dioxolane dioxolane  
808 CH3CH2COOH Propanoic Acid propanoic  
809 CH3COOCH3 methyl acetate aame  
810 CH3SSSCH3 dimethyl trisulfide c2h6s3  
811 C3H7NO dimethylformamide dmf  
812 C3H7NO Propanamide propanam  
813 C2H3OC2H5 Ethene, ethoxy- c109922  
814 C4H8O Cyclobutanol c2919235  
815 C4H8O Furan, tetrahydro- thf  
816 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
817 CH3COCH2CH3 2-Butanone buta2one  
818 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
819 CHOCH2CH2CH3 Butanal butanal  
820 C3H8O2 1,3-Propanediol c504632  
821 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
822 C3H8O2 Methane, dimethoxy- c109875  
823 C3H8O2 Propylene glycol c57556  
824 C3H8S2 1,3-Propanedithiol c109808  
825 C4H10O 1-Butanol butanol1  
826 C4H10O 1-Propanol, 2-methyl- c78831  
827 C4H10O 2-Butanol, (.+/-.)- butanol2  
828 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
829 C4H10O Propane, 2-methoxy- c598538  
830 C4H10O+ 1-Butanol cation butanol1+  
831 C2H5SC2H5 Diethyl sulfide etset  
832 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
833 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
834 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
835 FNO3 Fluorine nitrate fno3  
836 ClONO2 Chlorine nitrate clono2  
837 TiCl4 Titanium tetrachloride ticl4  
838 ClO4- perchlorate anion clo4-  
839 BF4- tetrafluoroboron anion bf4-  
840 ClFO3 Perchloryl fluoride clfo3  
841 SO2F2 Sulfuryl fluoride so2f2  
842 SO2Cl2 Sulfuryl chloride so2cl2  
843 F3NO Nitrogen trifluoride oxide f3no  
844 F3PO Phosphoryl fluoride pf3o  
845 Cl3PO Phosphoryl chloride pcl3o  
846 CF4 Carbon tetrafluoride cf4  
847 SiF4 Silicon tetrafluoride sif4  
848 CFCl3 Trichloromonofluoromethane cfcl3  
849 CCl4+ Carbon tetrachloride cation ccl4+  
850 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
851 SiCl4 Silane, tetrachloro- sicl4  
852 CF3I trifluoroiodomethane cf3i  
853 CBrCl3 Methane, bromotrichloro- cbrcl3  
854 CBr2F2 Methane, dibromodifluoro- cbr2f2  
855 GeCl4 Germanium Tetrachloride gecl4  
856 CFClBrI fluorochlorobromoiodomethane cfclbri  
857 CF2I2 difluorodiiodomethane cf2i2  
858 CCl2I2 dichlorodiiodomethane ccl2i2  
859 CBr3I tribromoiododmethane cbr3i  
860 CI4 tetraiodomethane ci4  
861 SiI4 silicon tetraiodide sii4  
862 C2HF3 Trifluoroethylene c2hf3  
863 C2HF3+ Trifluoroethylene cation c2hf3+  
864 CHClCCl2 Trichloroethylene chclccl2  
865 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
866 HClO4 perchloric acid hclo4  
867 HSO3F Fluorosulfonic acid hso3f  
868 CF3OH trifluoromethanol cf3oh  
869 CHClCCHCl 1,3-dichloroallene chclcchcl  
870 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
871 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
872 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
873 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
874 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
875 SiCl3CH3 methyltrichlorosilane sicl3ch3  
876 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
877 NH3BCl3 Amminetrichloroboron nh3bcl3  
878 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
879 C3H5ClO Oxirane, (chloromethyl)- c106898  
880 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
881 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
882 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
883 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
884 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
885 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
886 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
887 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
888 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
889 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
890 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
891 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
892 C4H9F 1-fluorobutane butaf1  
893 CH3CHFCH2CH3 2-fluorobutane butaf2  
894 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
895 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
896 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
897 XeF4 Xenon tetrafluoride xef4  
898 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
899 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
900 C6H4 Benzyne benzyne  
901 C6H5 phenyl phenyl  
902 C6H5- phenyl anion phenyl-  
903 C6H6 2,4-Hexadiyne hexadiyne  
904 C6H6 3,4-Dimethylenecyclobutene cb34m  
905 C6H6 Trimethylenecycopropane tmcp  
906 C6H6+ Benzene cation c6h6+  
907 C6H8 (E)-hexa-1,3,5-triene c821078  
908 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
909 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
910 C6H8 1,3-Cyclohexadiene cyhexadiene13  
911 C6H8 1,4-Cyclohexadiene cyhexadiene14  
912 C6H8 3-Methylenecyclopentene c930267  
913 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
914 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
915 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
916 C6H10 1,3-Hexadiene, (E)- hexdi13e  
917 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
918 C6H10 1,4-Hexadiene, (E)- hexdi14t  
919 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
920 C6H10 1-Butyne, 3,3-dimethyl- c917920  
921 C6H10 1-Hexyne hexyne1  
922 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
923 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
924 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
925 C6H10 2-Hexyne c764352  
926 C6H10 cyclohexene cyclohexene  
927 C6H10 Cyclopentene, 1-methyl- c693890  
928 C6H10 Cyclopentene, 3-methyl- c1120623  
929 C6H10 Cyclopentene, 4-methyl- c1759815  
930 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
931 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
932 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
933 C6H12 (E)-2-Hexene e2hexene  
934 C6H12 (E)-3-methylpent-2-ene c616126  
935 C6H12 (E)-hex-3-ene e3hexene  
936 C6H12 (Z)-3-methylpent-2-ene c922623  
937 C6H12 (Z)-hex-2-ene z2hexene  
938 C6H12 (Z)-hex-3-ene z3hexene  
939 C6H12 2,3-dimethyl-but-2-ene tmeet  
940 C6H12 3-methylenepentane c760214  
941 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
942 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
943 C6H12 Cyclohexane cyclohexane  
944 C6H12 Cyclopentane, methyl- c96377  
945 C6H12 Ethylcyclobutane c4806615  
946 C6H14 Butane, 2,2-dimethyl- buta22  
947 C6H14 Butane, 2,3-dimethyl- buta23  
948 C6H14 Hexane hexane  
949 C6H14 Pentane, 2-methyl- penta2  
950 C6H14 Pentane, 3-methyl- penta3  
951 C4N2 2-Butynedinitrile c4n2  
952 C2H2N4 sym-tetrazine ttz  
953 C3H3N3 1,3,5-Triazine triazine135  
954 CH3N5 5-Aminotetrazole c4418615  
955 C4H4N2 1,3-Diazine diazine13  
956 C4H4N2 Pyrazine pyrazine  
957 C4H4N2 Pyridazine pyridazine  
958 C4H4N2 Succinonitrile c110612  
959 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
960 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
961 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
962 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
963 C5H5N E-2,4-pentadienenitrile bdcn  
964 C5H5N Pyridine pyridine  
965 B3N3H6 borazine borazine  
966 C6H6 Fulvene fulvene  
967 C4H6N2 1H-Imidazole, 2-methyl- c693981  
968 C5H7N (E)-2-Pentenenitrile c26294984  
969 C5H7N (E)-3-Pentenenitrile c16529661  
970 C5H7N (Z)-2-Pentenenitrile c25899507  
971 C5H7N 1H-Pyrrole, 1-methyl- c96548  
972 C5H7N Cyclobutanecarbonitrile c4426113  
973 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
974 C5H9N Butanenitrile, 2-methyl- c18936179  
975 C5H9N Pentanenitrile c110598  
976 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
977 C6H10 Bicyclo[3.1.0]hexane c285585  
978 C5H11N Cyclopentanamine cypentam  
979 C5H11N Piperidine piper  
980 C4H12N2 1,2-Butanediamine c4426486  
981 C4H12N2 2-Methyl-1,2-propanediamine c811938  
982 Li2CO3 Lithium Carbonate li2co3  
983 Na2CO3 Sodium Carbonate na2co3  
984 C2O4-- oxalate anion c2o4  
985 C2H3NO3 Oxamic acid oxamic  
986 C4H4O2 2(5H)-Furanone furanone  
987 C4H4O2 2-Oxetanone, 4-methylene- c674828  
988 C2H4N2O2 Oxalamide oxalamide  
989 C2H4CO3 Ethylene carbonate etco3  
990 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
991 C3H4S3 1,3-Dithiolane-2-thione c822388  
992 C4H5NO 3-Methylisoxazole isox3m  
993 C4H5NO Isoxazole, 5-methyl- c5765446  
994 C4H5NS 4-Methylthiazole c693958  
995 C5H6O 2-methylfuran furan2m  
996 C5H6O 3-Methylfuran furan3m  
997 C5H6S Thiophene, 2-methyl- c554143  
998 C5H6S Thiophene, 3-methyl- c616444  
999 C4H6O2 2,3-Butanedione c431038  
1000 C4H6O2 2-Propenoic acid, methyl ester c96333  
1001 C4H6O2 Crotonic Acid crot  
1002 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1003 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1004 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1005 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1006 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1007 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1008 C4H6OS Vinyl sulfoxide c1115157  
1009 CH6N4S Carbonothioic dihydrazide thiacarb  
1010 C2H6N2O2 (E)-Azodioxymethane c37765154  
1011 C2H6N2O2 Dimethylnitroamine c4164287  
1012 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1013 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1014 C4H7NO 2-Pyrrolidinone c616455  
1015 C4H7NO Ethoxyacetonitrile etoaccn  
1016 C4H7NO Methacrylamide c79390  
1017 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1018 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1019 C3H7ONO Propyl nitrite prono  
1020 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1021 CH3CH(NH2)COOH Alanine alanine  
1022 CH3NHCH2COOH Sarcosine sarcosine  
1023 NH2CH2CH2COOH β–alanine betaalanine  
1024 NH2COOC2H5 Urethane urethane  
1025 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1026 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1027 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1028 NH2CONHC2H5 Urea, ethyl- c625525  
1029 C4H8O2 1,3-Dioxane dioxan13  
1030 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1031 C4H8O2 1,4-Dioxane dioxan14  
1032 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1033 C4H8OS s-Ethyl thioacetate c625605  
1034 C3H8O3 1,2,3-Propanetriol glycerin  
1035 C3H8O2S (Methylsulfonyl)ethane c594434  
1036 C4H9NO Butanamide c541355  
1037 C4H9NO Propanamide, 2-methyl- c563837  
1038 C5H10O 2-Butanone, 3-methyl- c563804  
1039 C5H10O 2H-Pyran, tetrahydro- c142687  
1040 C5H10O 2-Pentanone mpk  
1041 C5H10O Cyclopentanol c96413  
1042 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1043 C5H10O Pentanal pal  
1044 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1045 C5H10S 3-Ethylthio-1-propene c5296628  
1046 C5H10S Cyclopentanethiol c1679078  
1047 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1048 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1049 C4H10O2 1,1-Dimethoxyethane c534156  
1050 C4H10O2 1,3-Butanediol budiol13  
1051 C4H10O2 1,4-Butanediol budiol14  
1052 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1053 C4H10OS Diethyl sulfoxide c70291  
1054 C4H10S2 1,4-Butanedithiol budisl14  
1055 C4H11NO Diethylhydroxylamine c3710847  
1056 C5H12O 1-Butanol, 2-methyl- c137326  
1057 C5H12O 1-Butanol, 3-methyl- c123513  
1058 C5H12O 1-Pentanol pentanol1  
1059 C5H12O 2-Butanol, 3-methyl- c598754  
1060 C5H12O 2-Pentanol peol2  
1061 C5H12O 3-Pentanol pentan3ol  
1062 C5H12O Butane, 1-methoxy- meobu  
1063 C5H12O Propane, 1-ethoxy- proet  
1064 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1065 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1066 C5H12S 1-Butanethiol, 3-methyl- c541311  
1067 C5H12S 1-Pentanethiol c110667  
1068 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1069 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1070 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1071 C5H12S Butane, 1-(methylthio)- c628295  
1072 C5H12S Ethyl propyl sulfide c4110503  
1073 C5H12S Propane, 2-(ethylthio)- c5145993  
1074 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1075 CF3CN Acetonitrile, trifluoro- cf3cn  
1076 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1077 B2F4 Diboron tetrafluoride b2f4  
1078 C2F4 Tetrafluoroethylene c2f4  
1079 C2F4+ Tetrafluoroethylene cation c2f4+  
1080 C2FCl3 fluorotrichloroethene c2fcl3  
1081 C2Cl4 Tetrachloroethylene c2cl4  
1082 AsF5 Arsenic pentafluoride asf5  
1083 PCl5 Phosphorus pentachloride pcl5  
1084 SF5 Sulfur pentafluoride sf5  
1085 SbCl5 Antimony pentachloride sbcl5  
1086 BrF5 bromine pentafluoride brf5  
1087 ClF5 chlorinepentafluoride clf5  
1088 CF3CHO trifluoroacetaldehyde cf3cho  
1089 CCl3CHO trichloroacetaldehyde ccl3cho  
1090 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1091 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1092 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1093 CF3COOH trifluoroacetic acid cf3cooh  
1094 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1095 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1096 C4H8Cl2 1,4-Dichlorobutane c110565  
1097 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1098 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1099 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1100 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1101 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1102 C5H11Cl Pentane, 1-chloro- pencl1  
1103 C6H5CH2 benzyl radical benzyl  
1104 C6H5CH3 toluene toluene  
1105 C7H8 cycloheptatriene cht  
1106 C7H8 Norbornadiene norbor  
1107 C7H8 Quadricyclane qucy  
1108 C7H12 Norbornane nor  
1109 C7H14 cycloheptane c7h14  
1110 C7H16 2-methylhexane 2mhex  
1111 C7H16 3-methylhexane hex3m  
1112 C7H16 heptane heptane  
1113 C6H7N 2-Methylpyridine mp  
1114 C6H5NH2 aniline aniline  
1115 C6H13N 2-Methylpiperidine pip2m  
1116 C6H13N cyclohexanamine cham  
1117 C6H15N triethylamine tea  
1118 N2O5 Dinitrogen pentoxide n2o5  
1119 C4H2O3 Maleic Anhydride malan  
1120 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1121 C6H5O phenoxy radical phenoxy  
1122 C5H5NO 2(1H)-Pyridinone c72762006  
1123 C5H5NO 2(3H)-Pyridinone c9000048  
1124 C5H5NO 2(5H)-Pyridinone c9000037  
1125 C5H5NO 2-Pyridinol c109104  
1126 C5H5NO 3(2H)-Pyridinone c9000004  
1127 C5H5NO 3(4H)-Pyridinone c9000026  
1128 C5H5NO 3(6H)-Pyridinone c9000015  
1129 C5H5NO 3-Pyridinol c109002  
1130 C5H5NO 4(1H)-Pryidinone c9000060  
1131 C5H5NO 4(3H)-Pryidinone c9000059  
1132 C5H5NO 4-Pyridinol c626642  
1133 C6H5OH phenol phenol  
1134 C6H6O 2,4-Cyclohexadienone c24599573  
1135 C6H5SH Benzenethiol phsh  
1136 HO2CCHNH2CH2OH Serine serine  
1137 C4H8O2S Sulfolane sulfolane  
1138 CH(C2H3)3 trivinyl methane tvm  
1139 C6H10O cyclohexanone chexo  
1140 C6H12O hexanal c6h12o  
1141 C3H7OC3H7 di-n-propyl ether propr  
1142 CF3COCl trifluoroacetyl chloride cf3cocl  
1143 SF5Cl sulfur chloropentafluoride sf5cl  
1144 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1145 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1146 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1147 CCl3CHCl2 pentachloroethane ccl3chcl2  
1148 C6H5F Fluorobenzene bzf  
1149 C6H5Cl chlorobenzene bzcl  
1150 C6H5Br bromobenzene bzbr  
1151 C8H6 Calicene calicene  
1152 C6H5CCH phenylacetylene phac  
1153 C8H6 benzocyclobutadiene bcbd  
1154 C8H6 Pentalene pentalene  
1155 C6H5CHCH2 Styrene styrene  
1156 C8H8 cyclooctatetraene cot  
1157 C6H5CH2CH3 Ethylbenzene etbz  
1158 CH3C6H4CH3 meta-xylene mxylene  
1159 CH3C6H4CH3 paraxylene pxylene  
1160 C8H16 cyclooctane cyclooct  
1161 C8H18 Octane c8h18  
1162 C6H5CN phenyl cyanide phcn  
1163 C6H12N2 Triethylenediamine ted  
1164 C4O4-- squarate dianion c4o4--  
1165 S8 Octasulfur s8  
1166 C6H4O2 parabenzoquinone pbq  
1167 C4H4N2O2 Uracil uracil  
1168 C6H5OCH3 Anisole anisole  
1169 C6H12O2 Methyl pivalate c598981  
1170 C6H12O2 Hexanoic acid hexa  
1171 C4F4 tetrafluorcyclobutadiene c4f4  
1172 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1173 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1174 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1175 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1176 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1177 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1178 C2F6 hexafluoroethane c2f6  
1179 IF7 Iodine heptafluoride if7  
1180 C6H4F2 metadifluorobenzene mdfb  
1181 C6H4F2 orthodifluorobenzene odfb  
1182 C9H8 Indene indene  
1183 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1184 C9H12 n-propyl benzene prbz  
1185 C(CN)4 tetracyanomethane c5n4  
1186 C5H4N4 purine purine  
1187 C8H7N Indole indole  
1188 C6H5NO2 Nitrobenzene c6h5no2  
1189 C6H5COOH benzoic acid benzo  
1190 CH3COC6H5 acetophenone acph  
1191 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1192 C6H3F3 Benzene trifluoride 123 bzf3a  
1193 C10H16 adamantane adamantane  
1194 C6N4 Tetracyanoethylene tcne  
1195 C6N4- tetracyanoethylene anion tcne-  
1196 C4F6 perfluorobutadiene c4f6  
1197 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1198 C3F8 perfluoropropane c3f8  
1199 Fe(CO)5 Iron pentacarbonyl ipc  
1200 Fe(C5H5)2 ferrocene fecp2  
1201 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1202 C12H8 Acenaphthylene acenaph  
1203 C12H10 biphenyl biphenyl  
1204 C12H10 Heptalene heptalene  
1205 C6F6 hexafluorobenzene c6f6  
1206 C14H10 Anthracene anth  
1207 C14H10 Phenanthrene phenanthrene  
1208 C12H10N2 azobenzene azobenzene  
1209 C16H10 Pyrene pyrene  
1210 C18H12 Tetracene tetracene  
1211 C24H12 Coronene coronene