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Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at MP4=FULL /6-311G**

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na+ Sodium atom cation 1SKh
16 LiH Lithium Hydride 1ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH+ sodium hydride cation 2ΣC∞v
20 KH Potassium hydride 1ΣC∞v
21 Be Beryllium atom 1SKh
22 Be+ Beryllium atom cation 2SKh
23 Mg Magnesium atom 1SKh
24 Mg+ Magnesium atom cation 2SKh
25 BeH beryllium monohydride 2ΣC∞v
26 MgH magnesium monohydride 2ΣC∞v
27 CaH Calcium monohydride 2ΣC∞v
28 CaH+ Calcium monohydride cation 2ΣC∞v
29 TiH Titanium monohydride 4ΦC∞v
30 ZnH+ Zinc, protonated   
31 BeH2 beryllium dihydride 1ΣgD∞h
32 BeH2+ Beryllium dihydride cation 2ΣC∞v
33 BeH2+ Beryllium dihydride cation 2ΣuD∞h
34 BeH2+ Beryllium dihydride cation   
35 MgH2 magnesium dihydride 1ΣgD∞h
36 B Boron atom 2PKh
37 B Boron atom 4PKh
38 B+ Boron atom cation 1SKh
39 Al Aluminum atom 2PKh
40 Al- Aluminum atom anion 3PKh
41 Al+ Aluminum atom cation 1SKh
42 Sc Scandium atom 2DKh
43 Sc+ Scandium cation 3DKh
44 Ga Gallium atom 2P 
45 Ga- Gallium atom anion 3POh
46 Ga+ Gallium atom cation 1S 
47 BH Boron monohydride 1ΣC∞v
48 BH Boron monohydride 3ΠC∞v
49 BH- boron monohydride anion 4ΣC∞v
50 ScH Scandium monohydride 1ΣC∞v
51 ScH+ Scandium monohydride cation 2ΣC∞v
52 GaH Gallium monohydride 1ΣC∞v
53 GaH+ Gallium monohydride cation 2ΣC∞v
54 BH2- boron dihydride anion 3B1C2v
55 BH2- boron dihydride anion 1A1C2v
56 BH2+ Boron dihydride cation 1ΣgD∞h
57 BH3 boron trihydride 1A1'D3h
58 BH3+ boron trihydride cation 2B2C2v
59 BH3+ boron trihydride cation  C2v
60 AlH3 aluminum trihydride 1A1'D3h
61 AlH3- aluminum trihydride anion  C3v
62 ScH3 Scandium trihydride 1A1'D3h
63 ScH3 Scandium trihydride 1A1C3v
64 GaH3 Gallium trihydride 1A1'D3h
65 BH4 borohydride 2B2C2v
66 BH4- borohydride anion 1A1Td
67 C Carbon atom 3P0Kh
68 C Carbon atom 3P1Kh
69 C- Carbon atom anion 2DKh
70 C+ Carbon atom cation 2PKh
71 Si Silicon atom 3PKh
72 Si Silicon atom 1SKh
73 Si- Silicon atom anion 4SKh
74 Si+ Silicon atom cation 2PKh
75 Ge- Germanium anion 4SKh
76 Ge+ Germanium cation 2PKh
77 SiH Silylidyne 2ΠC∞v
78 SiH- silicon monohydride anion 3ΣC∞v
79 SiH+ silicon monohydride cation 1ΣC∞v
80 GeH germylidene 2ΠC∞v
81 GeH+ Germaniun monohyrdide cation 1ΣC∞v
82 CH2 Methylene 3B1C2v
83 CH2 Methylene 3ΣGD∞h
84 CH2 Methylene 1A1C2v
85 CH2- methylene anion 2B1C2v
86 CH2+ methylene cation 2A1C2v
87 CH2+ methylene cation 2ΠD∞h
88 SiH2 silicon dihydride 3B1C2v
89 GeH2 germylene 1A1C2v
90 GeH2- germylene anion 2B1C2v
91 CH3 Methyl radical 2A1D3h
92 CH3- methyl anion 1A1C3v
93 CH3+ methyl cation 1A1'D3h
94 SiH3 Silyl radical 2A1C3v
95 SiH3+ Silyl cation 1A1'D3h
96 GeH3+ germyl cation 1A1'D3h
97 CD4 methane-d4 1A1Td
98 CH2D2 methane-d2 1A1C2v
99 CH3D methane-d 1A1C3v
100 CH4 Methane 1A1Td
101 CH4- Methane anion 2A1Td
102 CH4- Methane anion 2A1C3v
103 CHD3 methane-d3 1A1C3v
104 SiH2D2 silane-d2   
105 SiH4 Silane 1A1Td
106 GeH4 Germane 1A1Td
107 SiH5+ Silane, protonated   
108 N Nitrogen atom 4SKh
109 N Nitrogen atom 2DKh
110 N+ Nitrogen atom cation 3PKh
111 P Phosphorus atom 4SKh
112 V Vanadium atom 4FKh
113 V+ Vanadium atom cation 5DKh
114 As Arsenic atomic 4SKh
115 As- Arsenic anion 3PKh
116 As+ Arsenic cation 3PKh
117 PH phosphorus monohydride 3Σ-C∞v
118 AsH Arsenic monohydride 1ΣC∞v
119 AsH+ Arsenic monohydride cation 2ΠC∞v
120 NH2 Amino radical 2B1C2v
121 NH2+ Amino cation 3B1C2v
122 NH2+ Amino cation 1A1C2v
123 AsH2+ Arsenic dihydride cation 1A1C2v
124 NH3 Ammonia 1A1C3v
125 NH3- Ammonia anion 2A1C3v
126 NH3+ ammonia cation 2A2"D3h
127 PH3 Phosphine 1A1C3v
128 PH3+ Phosphine cation 2A1C3v
129 AsH3 Arsine 1A1C3v
130 NH4 Ammonium radical   
131 NH4+ ammonium cation 1A1Td
132 PH4 Phosphoranyl radical   
133 PH4+ phosphonium cation   
134 O Oxygen atom 3SKh
135 O+ Oxygen atom cation 4SKh
136 S Sulfur atom 3PKh
137 S Sulfur atom   
138 S- Sulfur atom anion 2PKh
139 S+ Sulfur atom cation 4SKh
140 Se Selenium atom 3PKh
141 Se- Selenium atom anion 2PKh
142 Se+ Selenium atom cation 4SKh
143 OH Hydroxyl radical 2ΠC∞v
144 OH- hydroxide anion 1ΣC∞v
145 OH+ hydoxyl cation 3ΣC∞v
146 HS Mercapto radical 2ΠC∞v
147 HS- mercapto anion 1ΣC∞v
148 HS+ sulfur monohydride cation 3ΣC∞v
149 CrH Chromium hydride 6ΣC∞v
150 CrH+ Chromium hydride cation 5ΣC∞v
151 HSe Selenium monohydride 2ΠC∞v
152 HSe- selenium monohydride anion 1ΣC∞v
153 HSe+ selenium monohydride cation 3ΣC∞v
154 H2O Water 1A1C2v
155 H2O- water anion 2A1C2v
156 H2O- water anion 2A'Cs
157 H2O+ water cation 2B1C2v
158 HDO Water-d1 1A1C2v
159 H2S Hydrogen sulfide 1A1C2v
160 H2S- Hydrogen sulfide anion 2A'Cs
161 H2S+ Hydrogen sulfide cation 2B1C2v
162 H2Se Hydrogen selenide 1A1C2v
163 H2Se+ Hydrogen selenide cation 2B1C2v
164 H3O+ hydronium cation 1A1C3v
165 H3S+ Sulfonium cation 1A1C3v
166 H3Se+ Hydrogen Selenide, protonated 1A1C3v
167 F Fluorine atom 2PKh
168 F- Fluorine atom anion 1SKh
169 F+ Fluorine atom cation 3SKh
170 F+ Fluorine atom cation 1DKh
171 Cl Chlorine atom 2PKh
172 Cl- Chlorine atom anion 1SKh
173 Cl+ Chlorine atom cation 3PKh
174 Cl+ Chlorine atom cation 1DKh
175 Br Bromine atom 2PKh
176 Br- Bromine atom anion 1SKh
177 Br+ Bromine atom cation 3PKh
178 HF Hydrogen fluoride 1ΣC∞v
179 HCl Hydrogen chloride 1ΣC∞v
180 HCl+ hydrogen chloride cation 2ΠC∞v
181 HBr hydrogen bromide 1ΣC∞v
182 HBr- hydrogen bromide anion 2ΣC∞v
183 HBr+ hydrogen bromide cation 2ΠC∞v
184 H2Cl+ dihydrogen monochloride cation 1A1C2v
185 H2Br+ protonated hydrogen bromide 2A1C2v
186 Ne Neon atom 1SKh
187 Ne Neon atom   
188 Ne+ Neon atom cation 2PKh
189 Ar Argon atom 1SKh
190 Kr Krypton atom 1SKh
191 Kr+ Krypton cation 2PKh
192 HeLi+ Helium Lithium cation   
193 NeH neon hydrogen 2ΣC∞v
194 ArH+ Argon hydride cation 1ΣC∞v
195 KrH+ Protonated Krypton 1ΣC∞v
196 H2Ar H2 Ar dimer 1ΣC∞v
197 Li2 Lithium diatomic 1ΣgD∞v
198 Na2 Sodium diatomic 1ΣgD∞h
199 Na2- sodium diatomic anion 2ΣuD∞h
200 Na2+ sodium diatomic cation 2ΣgD∞h
201 NaK+ Sodium Potassium diatomic cation 1
202 K2 Potassium diatomic 1ΣgD∞h
203 Be2 Beryllium diatomic 1ΣgD∞h
204 Be2 Beryllium diatomic 3ΠgD∞h
205 BeMg Beryllium Magnesium 1ΣC∞v
206 Mg2 Magnesium diatomic 1ΣgD∞h
207 Ca2 Calcium diatomic 1ΣGD∞h
208 LiB Lithium boride 3ΠC∞v
209 LiAl Lithium Aluminum   
210 NaAl Sodium aluminum 1ΣC∞v
211 BeB Beryllium monoboride 2ΠC∞v
212 B2 Boron diatomic 3ΣgD∞h
213 B2 Boron diatomic 1ΣgD∞h
214 B2 Boron diatomic 5ΣuD∞h
215 B2+ Boron diatomic cation 2ΠD∞h
216 BAl Boron Aluminum 3ΣC∞v
217 BGa Boron Gallium 3ΣC∞v
218 AlGa Aluminum Gallium 3ΣC∞v
219 AlGa Aluminum Gallium 1ΣC∞v
220 Ga2 Gallium diatomic 3Piu 
221 HBBH Diborane(2) 3ΣGD∞h
222 LiBH4 Lithium borohydride 1A1C3v
223 B2H4 Diborane(4) D2d 1A1D2d
224 HBHHBH Diborane(4) C2V 1A1C2v
225 B2H6 Diborane 1AgD2h
226 B2H6+ Diborane cation   
227 Al2H6 dialane 1AGD2h
228 Ga2H6 digallane 1AGD2h
229 LiC Lithium Carbide 4ΣC∞v
230 BeC Beryllium Carbide 3Σ-C∞v
231 BeC Beryllium Carbide   
232 CaC Calcium monocarbide   
233 BC boron monocarbide 4Σ-C∞v
234 AlC Aluminum carbide 4ΣC∞v
235 BSi Boron silicide 4ΣC∞v
236 BSi Boron silicide 2ΣC∞v
237 C2 Carbon diatomic 1Σg+D∞h
238 C2 Carbon diatomic 3Σg- 
239 C2+ carbon diatomic cation 4ΣgD∞h
240 SiC silicon monocarbide 3ΣC∞v
241 SiC silicon monocarbide 1ΣC∞v
242 SiGe Silicon Germanium   
243 C2H Ethynyl radical 2ΣC∞v
244 C2H- Ethynyl anion 1ΣC∞v
245 C2H2 Acetylene 1ΣgD∞h
246 C2H2+ acetylene cation 2ΠuD∞h
247 C2H2+ acetylene cation   
248 CCH2 vinylidene 3B2C2v
249 H2CC- vinylidene anion   
250 HCCH- acetylene anion   
251 HCCH- acetylene anion   
252 CH3Li methyl lithium 1A1C3v
253 CH2BH methyleneborane 1A1C2v
254 C2H3 vinyl 2A'Cs
255 C2H3- vinyl anion 1A'Cs
256 C2H3+ vinyl cation 1A1C2V bridging H
257 C2H3+ vinyl cation 1A1C2V HCCH2
258 C2H4 Ethylene 1AgD2h
259 C2H4- Ethylene anion 2AgC2h
260 C2H4+ Ethylene cation 2B3D2
261 Si2H4 Disilene   
262 CH3BH2 methylborane 1A'Cs
263 C2H5 Ethyl radical 2A'Cs
264 C2H5- Ethyl anion 1A'Cs
265 C2H6 Ethane 1A1gD3d
266 C2H6 Ethane 1A1'D3h
267 Si2H6 disilane 1EuD3d
268 LiP Lithium monophosphide   
269 LiP Lithium monophosphide   
270 BeN Beryllium mononitride 4ΣC∞v
271 BeN Beryllium mononitride 2ΠC∞v
272 BeN+ Beryllium mononitride cation 3ΣC∞v
273 BeN+ Beryllium mononitride cation 1ΣC∞v
274 MgN Magnesium Nitride   
275 MgN Magnesium Nitride   
276 BP Boron monophosphide 3ΠC∞v
277 BP Boron monophosphide 1ΣC∞v
278 AlP Aluminum monophosphide 3ΣC∞v
279 AlP Aluminum monophosphide 3ΠC∞v
280 AlP Aluminum monophosphide 1ΣC∞v
281 GaN Gallium mononitride 3ΠC∞v
282 GaN Gallium mononitride 1ΣC∞v
283 GaP Gallium monophosphide 3ΣC∞v
284 GaP Gallium monophosphide 1ΣC∞v
285 GaAs Gallium arsenide 3Π 
286 GaAs Gallium arsenide 1Σ 
287 BN boron nitride 3ΠC∞v
288 BN boron nitride 1ΣC∞v
289 CN Cyano radical 2ΣC∞v
290 CN- cyanide anion 1ΣC∞v
291 SiP Silicon monophosphide 2ΠC∞v
292 N2 Nitrogen diatomic 1ΣgD∞h
293 N2- nitrogen diatomic anion 2ΠgD∞h
294 N2+ diatomic nitrogen cation 2ΣgD∞h
295 P2 Phosphorus diatomic 1ΣgD∞h
296 AsN Arsenic mononitride 1ΣC∞v
297 AsP Arsenic monophosphide 1ΣC∞v
298 HCN Hydrogen cyanide 1ΣC∞v
299 HCN+ hydrogen cyanide cation 2ΠC∞v
300 HNC+ hydrogen isocyanide cation   
301 NNH+ Dinitrogen monohydride cation 1ΣC∞v
302 LiNH2 lithium amide   
303 HBNH Boranimine 1ΣC∞v
304 CNH2 Aminomethylidyne radical 2B2C2v
305 H2CN Dihydrogen cyanide radical 2B2C2v
306 HCNH methyleneazane 2A'CS cis
307 HCNH methyleneazane 2A'CS trans
308 N2H2 (E)-diazene 1AgC2h
309 N2H2 (Z)-Diazene 1A1C2v
310 N2H2+ trans-diazene cation 2AGC2h
311 CH2NH Methanimine 1A'Cs
312 CH2NH+ Methanimine cation   
313 CHNH2 aminomethylene   
314 CHNH2+ Aminocarbene cation   
315 CH2PH Phosphaethene 1A'Cs
316 BH2NH2 Boranamine   
317 CH2NH2+ methyleneamine cation 1A1C2v
318 N2H4 Hydrazine 1AC2
319 N2H4+ hydrazine cation 2AGC2h
320 CH3NH2 methyl amine 1A'Cs
321 CH3NH2+ methyl amine cation 2A'Cs
322 SiH3NH2 Silane, amino   
323 N2H5+ protonated hydrazine 1A'Cs
324 BH3PH3 borane phosphine   
325 BH3NH3 borane ammonia 1A1C3v
326 CH3NH3 methyl ammonium radical 2A1C3v
327 CH3PH3+ methyl phosphine, protonated 1A1C3v
328 NH3NH3 Ammonia Dimer 1AgC2h
329 NH3NH3 Ammonia Dimer 1A'Cs
330 N2H7+ ammonia ammonium dimer   
331 LiO lithium oxide 2ΣC∞v
332 LiS Lithium monosulfide 2ΠC∞v
333 LiS+ Lithium sulfide cation 3ΣC∞v
334 NaO sodium monoxide 2ΣC∞v
335 KO Potassium monoxide 2ΣC∞v
336 KO+ Potassium monoxide cation 3ΣC∞v
337 NaS Sodium sulfide 2ΠC∞v
338 BeO beryllium oxide 1ΣC∞v
339 BeO+ Beryllium monoxide cation 2ΠC∞v
340 CaO Calcium monoxide 1ΣC∞v
341 CaS Calcium sulfide 1ΣC∞v
342 BO boron monoxide 2ΣC∞v
343 ScO Scandium monoxide 2ΣC∞v
344 GaO Gallium monoxide 2ΣC∞v
345 CO Carbon monoxide 1ΣC∞v
346 CO- carbon monoxide anion 2ΠC∞v
347 CO+ carbon monoxide cation 2ΣC∞v
348 TiO Titanium monoxide 3ΔC∞v
349 GeO Germanium monoxide 1ΣC∞v
350 GeO+ Germanium monoxide cation 2ΣC∞v
351 GeS Germanium monosulfide 1ΣC∞v
352 SiSe Silicon Monoselenide   
353 SiSe+ Silicon Monoselenide cation   
354 NO Nitric oxide 2ΠC∞v
355 NO- nitric oxide anion 3ΣC∞v
356 NO+ nitric oxide cation 1ΣC∞v
357 NS Mononitrogen monosulfide 2ΠC∞v
358 NS- nitrogen sulfide anion 3ΣC∞v
359 PO Phosphorus monoxide 2ΠC∞v
360 PS phosphorus sulfide 2ΣC∞v
361 VO Vanadium monoxide 4Σ- 
362 NSe Nitrogen monoselenide 2ΠC∞v
363 AsS Arsenic monosulfide 2ΠC∞v
364 PSe Phosphorus monoselenide 2ΠC∞v
365 AsSe Arsenic monoselenide 2ΠC∞v
366 O2 Oxygen diatomic 3ΣgD∞h
367 O2 Oxygen diatomic 1ΔgD∞h
368 O2- oxygen diatomic anion 2ΠD∞h
369 O2+ diatomic oxygen cation 2ΠgD∞h
370 SO Sulfur monoxide 3ΣC∞v
371 SO+ sulfur monoxide cation 2ΠC∞v
372 S2 Sulfur diatomic 3ΣgD∞h
373 SeO Selenium monoxide 3ΣC∞v
374 LiOH lithium hydroxide 1ΣC∞v
375 KOH Potassium hydroxide 1ΣC∞v
376 BeOH beryllium monohydroxide 2A'Cs
377 BeOH beryllium monohydroxide 2ΣC∞v
378 HBO Boron hydride oxide 1ΣC∞v
379 COH Hydroxymethylidyne   
380 COH+ Carbon Monoxide, protonated 1ΣC∞v
381 HCO- formyl anion 1A'Cs
382 HNO+ Nitrosyl hydride cation 2A'Cs
383 NOH Hydroxyimidogen 3A"Cs
384 NOH+ O-protonated nitric oxide 2A'Cs
385 HO2 Hydroperoxy radical 2A"Cs
386 HO2+ Hydroperoxy cation 3A"Cs
387 HSO+ Sulfur Monoxide, S-protonated   
388 SOH Sulfur Hydroxide   
389 SOH+ Sulfur Monoxide, protonated   
390 HS2 Thiosulfeno radical 2A"Cs
391 H2CO Formaldehyde 1A1C2v
392 H2CO- formaldehyde anion 2A'Cs
393 H2CO- formaldehyde anion   
394 H2CO+ formaldehyde cation 2B2C2v
395 HOCH hydroxycarbene 1A'CS trans
396 HOCH hydroxycarbene 1A'CS cis
397 H2CS Thioformaldehyde 1A1C2v
398 H2CS- thioformaldehyde anion   
399 H2CS- thioformaldehyde anion   
400 H2CS+ thioformaldehyde cation 2B2C2v
401 H2NO nitroxide 2B1C2v
402 H2NO nitroxide 2A'Cs
403 H2O2 Hydrogen peroxide 1AC2
404 H2O2 Hydrogen peroxide 1AgC2h
405 H2O2+ Hydrogen peroxide cation 2BgC2h
406 H2O2+ Hydrogen peroxide cation 2A1C2v
407 H2OO water oxide   
408 HOSH hydrogen thioperoxide   
409 H2S2 Disulfane 1AC2
410 H2S2+ hydrogen disulfide cation 2BgC2h
411 CH2OH Hydroxymethyl radical 2AC1
412 CH2OH+ hydroxymethyl cation 1A'Cs
413 CH3O- methoxy anion 1A1C3v
414 CH3O+ Methoxy cation 3A1C3v
415 H2CSH+ Thioformaldehyde, protonated 1A'Cs
416 NH2OH hydroxylamine 1A'Cs
417 NH2OH+ Hydroxylamine cation   
418 NH3O Ammonia Oxide 1A1C3v
419 H2POH Phosphinous acid 1A1'CS trans
420 H2POH Phosphinous acid 1A1'CS cis
421 H3PO Phosphine oxide 1A1C3v
422 NH2SH Thiohydroxylamine   
423 NH2SH Thiohydroxylamine   
424 NH3S sulfidoazane   
425 CH3OH Methyl alcohol 1A'Cs
426 CH3OH- Methyl alcohol anion 2A'Cs
427 CH3OH- Methyl alcohol anion 2A'CS eclipsed
428 CH3OH+ Methyl alcohol cation 2A"Cs
429 CH3OH+ Methyl alcohol cation 2AC1
430 CH3SH Methanethiol 1A'Cs
431 CH3SH+ Methanethiol cation 2A"Cs
432 SiH3OH silanol   
433 NH2OH2+ protonated hydroxylamine   
434 NH3OH+ N-protonated hydroxylamine   
435 H2OH2O water dimer 1A'Cs
436 CH3SH2+ protonated methylsulfide 1A'Cs
437 H5O2+ Dihydroxonium ion 1AC2
438 LiF lithium fluoride 1ΣC∞v
439 LiCl lithium chloride 1ΣC∞v
440 NaF sodium fluoride 1ΣC∞v
441 NaF+ sodium fluoride cation 2ΣC∞v
442 NaCl Sodium Chloride 1ΣC∞v
443 LiBr Lithium Bromide 1ΣC∞v
444 LiF+ lithium fluoride cation 2ΠC∞v
445 BeF- Beryllium monofluoride anion 1ΣC∞v
446 MgF+ magnesium fluoride cation 1ΣC∞v
447 TiCl Titanium Monochloride 4ΣC∞v
448 ZnF Zinc monofluoride 2ΣC∞v
449 CaBr Calcium monobromide   
450 BF Boron monofluoride 1ΣC∞v
451 AlCl Aluminum monochloride 1ΣC∞v
452 ScF Scandium monofluoride 1ΣC∞v
453 BBr Boron monobromide 1ΣC∞v
454 GaF Gallium monofluoride 1ΣC∞v
455 GaF+ Gallium monofluoride cation 2ΣC∞v
456 AlBr Aluminum monobromide   
457 GaCl Gallium monochloride 1ΣGC∞v
458 GaCl+ Gallium monochloride cation 2ΣC∞v
459 CF Fluoromethylidyne 2ΠC∞v
460 SiF silicon monofluoride 2ΠC∞v
461 SiF- silicon monofluoride anion 3ΣC∞v
462 SiF+ silicon monofluoride cation 1ΣC∞v
463 CBr Carbon monobromide 2ΠC∞v
464 GeF+ Germanium monofluoride cation 1ΣC∞v
465 GeCl+ Germanium monochloride cation   
466 SiBr Silicon monobromide 2ΠC∞v
467 SiBr+ Silicon monobromide cation   
468 NCl nitrogen monochloride 3ΣC∞v
469 AsF Arsenic monofluoride 3ΣC∞v
470 AsF Arsenic monofluoride 1ΔC∞v
471 NBr nitrogen monobromide 3Σ-C∞v
472 AsCl Arsenic monochloride 3ΣC∞v
473 PBr Phosphorus monobromide   
474 FO Oxygen monofluoride 2ΠC∞v
475 SF Monosulfur monofluoride 2ΠC∞v
476 SCl sulfur monochloride 2ΠC∞v
477 BrO Bromine monoxide 2ΠC∞v
478 BrO- Bromine monoxide anion 1ΣC∞v
479 SeF Selenium monofluoride 2ΠC∞v
480 SeCl Selenium monochloride 2ΠC∞v
481 BrCl Bromine monochloride 1ΣC∞v
482 F2 Fluorine diatomic 1ΣgD∞h
483 F2- flourine diatomic anion 2ΣuD∞h
484 F2+ flourine diatomic cation 2ΠgD∞h
485 ClF Chlorine monofluoride 1Σ+C∞v
486 ClF+ clorine monofluoride cation 2ΠC∞v
487 Cl2 Chlorine diatomic 1ΣgD∞h
488 Cl2- chlorine diatomic anion 2ΣuD∞h
489 Cl2+ chlorine diatomic cation 2ΠgD∞h
490 BrF Bromine monofluoride 1ΣC∞v
491 Br2 Bromine diatomic 1ΣgD∞h
492 Br2- bromine diatomic anion 2ΣuD∞h
493 Br2+ bromine diatomic cation 2ΠgD∞h
494 HCF Fluoromethylene 1A'Cs
495 HCF Fluoromethylene 3A"Cs
496 HCCl Chloromethylene 1A'Cs
497 HCCl Chloromethylene 3A"Cs
498 HOCl hypochlorous acid 1A'Cs
499 HOCl+ hypochlorous acid cation   
500 HOBr Hypobromous acid 1A'Cs
501 HOBr+ Hypobromous acid cation 2A"Cs
502 F2H+ Fluorine, protonated 1A'Cs
503 ClFH+ Chlorine fluoride, F-protonated   
504 FClH+ Chlorine fluoride, Cl-protonated   
505 Cl2H+ Chlorine, protonated 1A'Cs
506 CH2Br bromomethyl radical   
507 CH2F fluoromethyl radical 2ACs
508 CH2F+ fluoromethyl cation   
509 CH2Cl+ chloromethyl cation   
510 CH2Cl chloromethyl radical 2A'Cs
511 CH2Cl chloromethyl radical 2B1C2v
512 NH2Cl chloramine 1A'Cs
513 CH3F+ methyl fluoride cation   
514 CD3F methylfluoride-d3 1A1C3v
515 CH3F Methyl fluoride 1A1C3v
516 CD3Cl methyl chloride d3 1A1C3v
517 CH3Cl Methyl chloride 1A1C3v
518 SiH3Cl chlorosilane 1A1C1
519 CH3Br methyl bromide 1A1C3v
520 SiH3Br bromosilane 1A1C3v
521 NH3Cl+ protonated monochloroammonia   
522 CH3ClH+ methyl chloride, protonated   
523 NH4Cl Ammonium chloride   
524 LiNe+ Lithium Neon cation   
525 Ne2+ Neon diatomic cation 2ΣuD∞h
526 Ar2 Argon diatomic 1SgD∞h
527 Ar2+ Argon diatomic cation 2ΣuD∞h
528 Li3 Lithium trimer 2B2C2v
529 Li3+ Lithium trimer cation 1A1'D3h
530 C3 carbon trimer 1ΣgD∞h
531 C3 carbon trimer 1A1C2v
532 C3H3 cyclopropenyl radical 2A'Cs
533 C3H4 cyclopropene 1A1C2v
534 CH3CCH propyne 1A'C3v
535 C3H5 Allyl radical 2A2C2v
536 C3H5 Allyl radical 2A"Cs
537 CH3CHCH 1-propenyl radical 2A'Cs
538 C3H6 Cyclopropane 1A1'D3h
539 CH2CHCH3 Propene 1A'Cs
540 C3H7 n-Propyl radical 2A"C1
541 C3H7+ cyclopropane, protonated   
542 CH3CHCH3 Isopropyl radical 2AC2
543 CH3CHCH3+ Isopropyl cation 1AC2
544 C3H8 Propane 1A1C2v
545 Si3H8 trisilane   
546 LiCN lithium cyanide 1ΣC*V LiCN
547 LiCN lithium cyanide 1A'Cs
548 LiCN lithium cyanide 1ΣC*V LiNC
549 NaCN Sodium Cyanide 1ΣC∞v
550 NaCN Sodium Cyanide 1ACs
551 NaCN Sodium Cyanide 1ΣC∞v
552 KCN Potassium cyanide 1ΣC∞v
553 KCN Potassium cyanide 1ΣC∞v
554 KCN Potassium cyanide 1A'Cs
555 ZnCN Zinc monocyanide 2ΣC∞v
556 ZnNC Zinc isocyanide 2ΣC∞v
557 CN2 3H-Diazirin-3-ylidene 1A1C2v
558 NCN Cyanoimidogen 3ΣgD∞h
559 NCN Cyanoimidogen 1ΣgD∞h
560 N3 azide radical 2ΠgD∞h
561 N3+ azide cation 3ΣgD∞h
562 N3+ azide cation 3ΣC∞v
563 HCCN cyanomethylene 3A"Cs
564 HCCN cyanomethylene 3ΣC∞v
565 HCCN cyanomethylene   
566 HN3+ Hydrazoic acid cation   
567 HNCNH diiminomethane 1AC2
568 NH2CN cyanamide 1A1C2v
569 HNNNH+ 1,2-Triazadienium   
570 CH3CN Acetonitrile 1A1C3v
571 CH3CN- acetonitrile anion 2EC3v
572 CH3CN- acetonitrile anion 2A'Cs
573 CHNCH2 2H-Azirine   
574 CHNHCH 1H-Azirine   
575 H2CCNH Ethenimine   
576 H2CNCH methyleneaminomethylene   
577 HCCNH2 Ethynamine   
578 HCNCH2+ 2H-Azirine cation   
579 HNCNH2+ diiminomethane, protonated 1A'Cs
580 NCNH3+ Cyanamide, protonated 1A1C3v
581 NH2CNH+ cyanamide, cn protonated   
582 NH3CN+ cyanamide, amine protonated   
583 CH2CHNH vinylazine 2A"CS cis
584 CH2CHNH vinylazine 2A"CS trans
585 CH3CHN methylmethaniminyl radical 2A'Cs
586 CH3CHNH ethanimine 1A'CS NH down
587 C2H5NH+ Protonated Aziridine 1A1C2v
588 C2H6N+ aziridine, protonated 1A1C2v
589 NH2CH2NH2 diaminomethane 1A1C2v
590 CH3CH2NH2 Ethylamine   
591 CH3PHCH3 dimethylphosphine 1A'Cs
592 (CH3)2NH2+ dimethylammonium cation 1A1C2v
593 CH3CH2NH3+ ethylamine, protonated 1A'Cs
594 Li2O dilithium oxide 1ΣgD∞h
595 Li2S dilithium sulfide 1ΣGD∞h
596 Li2S dilithium sulfide 1A1C2v
597 Na2O disodium monoxide 1ΣgLinear
598 Na2O disodium monoxide 1A1C2v
599 Na2S Sodium sulfide   
600 Na2S Sodium sulfide   
601 NaO2 Sodium superoxide   
602 CCO Dicarbon monoxide 3ΣC∞v
603 CCO Dicarbon monoxide 1ΠC∞v
604 NCO isocyanato radical 2ΠC∞v
605 N2O Nitrous oxide 1ΣC∞v
606 N2O- Nitrous oxide anion 2A'Cs
607 NNS Nitrogen sulfide 1ΣC∞v
608 PPO Phosphorus oxide phosphide 1ΣC∞v
609 CO2 Carbon dioxide 1ΣgD∞h
610 CO2+ Carbon dioxide cation 2ΠC∞v
611 OCS Carbonyl sulfide 1ΣC∞v
612 CS2 Carbon disulfide 1ΣgD∞h
613 CS2- Carbon disulfide anion 2A1C2v
614 TiO2 Titanium dioxide 1A1C2v
615 SiS2 Silicon disulfide 1ΣGD∞h
616 OCSe Carbonyl selenide 1ΣC∞v
617 SCSe Carbon sulfide selenide   
618 GeS2 Germanium disulfide 1ΣGD∞h
619 CSe2 Carbon diselenide 1A1D∞h
620 NO2 Nitrogen dioxide 2A1C2v
621 NO2+ Nitrogen dioxide cation 1ΣGD∞h
622 NSO sulfinyl amidogen   
623 SNO Nitrogen oxide sulfide   
624 AsO2 Aresenic dioxide 2A1C2v
625 O3 Ozone 1A1Cs
626 SO2 Sulfur dioxide 1A1C2v
627 S3 Sulfur trimer 1A1C2v
628 S3 Sulfur trimer   
629 S3+ Sulfur trimer cation 2B2C2v
630 SeO2 Selenium dioxide 1A1C2v
631 SeO2+ Selenium dioxide cation 2A1C2v
632 HCCO ketenyl radical 2ΠC∞v
633 HCCO ketenyl radical 2A"Cs
634 HCNO fulminic acid 1ΣC∞v
635 HCNO fulminic acid 1A'Cs
636 HNCS Isothiocyanic acid   
637 HSCN thiocyanic acid 1A'Cs
638 HNNO+ Nitrous oxide, N-protonated 1A'Cs
639 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
640 HCOO formate neutral radical 2A'Cs
641 HOCO Hydrocarboxyl radical 1A'cis
642 HOCO Hydrocarboxyl radical 1A'trans
643 O3H+ protonated ozone 1A'Cs
644 O3H+ protonated ozone   
645 SO2H+ protonated sulfur dioxide 1A'Cs
646 C2H2O Oxirene 1A1C2v
647 CH2CO Ketene 1A1C2v
648 CH2CS Thioketene   
649 Be(OH)2 Beryllium hydroxide   
650 Be(OH)2 Beryllium hydroxide   
651 NH2NO Nitrosamide 1AC1
652 H2COO Dioxymethyl radical 2A'Cs
653 H2COO+ dioxymethyl cation 2A'Cs
654 HCOOH Formic acid 1A'Cs
655 HCOOH Formic acid   
656 H2O3 Hydrogen trioxide 1AC2
657 HSSSH trisulfane 1A'Cs
658 NaOCH3 Sodium methoxide 1A1C3v
659 CH2BOH hydroxy(methylene)borane 1A'Cs
660 BH3CO Borane carbonyl 1A1C3v
661 CH3BO Borane, methyloxo- 1A1C3v
662 CH2COH+ ketene, protonated   
663 CH2NOH formaldoxime 1A'Cs
664 CH3NO nitrosomethane 1A'Cs
665 CHONH2 formamide 1A'Planar
666 CHONH2 formamide 1ANon-Planar
667 CNOH3 1,2-oxaziridine 1AC1
668 HOCHNH hydroxymethylimine 1A'CS H all up
669 HOCHNH hydroxymethylimine 1A'CS OH down
670 HOCHNH hydroxymethylimine 1A'CS CH up
671 CHSNH2 thioformamide   
672 NHCHSH Methanimidothioic acid   
673 C2H4O Ethylene oxide 1A1C2v
674 C2H4O+ ethylene oxide cation   
675 CH3CHO Acetaldehyde 1A'Cs
676 CH3CHO+ acetaldehyde cation   
677 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
678 C2H4S Thiirane 1A1C2v
679 CH2CHSH Ethenethiol   
680 CH3CHS Thioacetaldehyde 1A'C1
681 H2CONH2+ protonated formamide 1A'Cs
682 NH2CHOH+ Formamide, O-protonated   
683 CH2(OH)2 methanediol 1AC2
684 CH3SSH Hydrogen methyl disulfide   
685 HSCH2SH Methanedithiol   
686 C2H4OH+ ethylene oxide, protonated 1A'Cs
687 CH3CHOH 1-hydroxy-ethyl radical 2AC1
688 CH3CHOH+ acetaldehyde, protonated 1A'Cs
689 NH2CH2OH aminomethanol   
690 CH3CH2SH ethanethiol 1A'Cs
691 CH3CH2SH ethanethiol 1AC1
692 CH3SCH3 Dimethyl sulfide 1A1C2v
693 CH3SCH3+ dimethyl sulfide cation   
694 CH3SeCH3 dimethylselenide 1A1C2v
695 CuF2 Copper difluoride 2ΠgD∞h
696 CNF iso cyanogen fluoride 1ΣC∞v
697 BrCN Cyanogen bromide 1ΣC∞v
698 BeF2 Beryllium fluoride 1ΣgD∞h
699 MgF2 Magnesium fluoride 1ΣgD∞h
700 BeCl2 Beryllium chloride 1ΣgD∞h
701 CaCl2 Calcium Chloride 1ΣgD∞h
702 CaBr2 Calcium dibromide   
703 FCO Carbonyl fluoride 2A'Cs
704 FCO+ Carbonyl fluoride cation 1ΣC∞v
705 ClCO carbonyl monochloride 2A'Cs
706 BF2 Boron difluoride radical 2A1C2v
707 FNS Thionitrosyl fluoride 1A'Cs
708 FSN Thiazyl fluoride 1A'Cs
709 OPCl Phosphorus oxychloride   
710 CF2 Difluoromethylene 1A1D∞h
711 CFCl chlorofluoromethylene 1A'Cs
712 SiF2+ Silicon difluoride cation 2A1C2v
713 GeF2 Germanium difluoride 1A1C2v
714 CBr2 dibromomethylene 1A1C2v
715 CBr2 dibromomethylene 3B1C2v
716 OClO- Chlorine dioxide anion 1A'Cs
717 ClSO Sulfur chloride oxide 2A"Cs
718 BrOO Bromine dioxide   
719 PF2 Phosphorus difluoride   
720 FClO chlorosyl fluoride 1A'Cs
721 ClOF Chlorine hypofluorite 1A'Cs
722 SF2 sulfur difluoride 1A1C2v
723 SF2- sulfur difluoride anion 2A'Cs
724 SF2- sulfur difluoride anion 2ΠD∞h
725 SCl2 Sulfur dichloride 1A1C2v
726 F3- trifluoride anion 1ΣgD∞h
727 F3- trifluoride anion 1ΣC∞v
728 Cl3- trichloride anion 1ΣgD∞h
729 SFCl Sulfur chloride fluoride   
730 HCCCl Chloroacetylene 1ΣC∞v
731 HCCBr bromoacetylene 1ΣC∞v
732 HFCO+ formyl fluoride cation 2A'Cs
733 CHCl2 dichloromethyl radical 2B1C2v
734 CHCl2 dichloromethyl radical 2A'Cs
735 CHF2+ difluoromethyl cation   
736 CHFCl Chlorofluoromethyl radical   
737 CHFCl+ Chlorofluoromethyl cation   
738 CHCl2+ dichloromethyl cation   
739 CHBr2 dibromomethyl radical   
740 NHF2 difluoramine   
741 NHCl2 dichloroamine   
742 SiH2F2 difluorosilane   
743 CH2Cl2 Methylene chloride 1A1C2v
744 CH2BrF Methane, bromofluoro- 1A'Cs
745 CH2BrCl Methane, bromochloro- 1A'Cs
746 CH2FI fluoroiodomethane   
747 CH2Br2 dibromomethane 1A1C2v
748 CH2I2 Diiodomethane   
749 SiH2Cl2 dichlorosilane 1A1C2v
750 CH3MgBr Methyl Magnesium Bromide   
751 CH2FOH fluoromethanol   
752 CH2CH2Cl 2-chloroethyl radical 2A'Cs
753 CHClCH3 1-chloroethyl radical 2AC1
754 KrF2 Krypton difluoride 1ΣGD∞h
755 B4H10 Tetraborane(10) 1A1C2v
756 C4 Carbon tetramer 3ΣgD∞h
757 C4 Carbon tetramer   
758 C4H2 Diacetylene 1ΣgD∞h
759 C4H2+ diacetlyene cation 2ΠgD∞h
760 C4H4 cyclobutadiene 1AgD2h
761 C4H4 Tetrahedrane   
762 CH2CHCHCH2 1,3-Butadiene 1AC2
763 CHCCH2CH3 1-Butyne 1A'Cs
764 CH3CHCHCH2 methylallyl radical 2A"Cs
765 C4H8 methylcyclopropane 1A'Cs
766 CH2CHCH2CH3 1-Butene 1AC1
767 CH3CH2CH2CH3 Butane 1AgAnti
768 CH3CH2CH2CH3 Butane 1AGauche
769 Li3N trilithium nitride 1A'D3h
770 Li3N trilithium nitride 1A1C3v
771 C2N2 Cyanogen 1ΣgD∞h
772 As4 Arsenic tetramer 1A1Td
773 HCCCN+ Cyanoacetylene cation 2ΠC∞v
774 H2CNCN cyanamide, methylene   
775 HNCCNH Ethenediimine   
776 C3H3N+ acrylonitrile cation 2A"Cs
777 CH3N3 methyl azide 1A'Cs
778 NH2CCNH2 Diaminoacetylene 1AC2
779 NH2CCNH2 Diaminoacetylene 1A1D2d
780 NH2CH2CN Aminoacetonitrile 1A'Cs
781 CH3NHN2+ methyl azide, protonated 1AC1
782 C4H6 Bicyclo[1.1.0]butane 1A1C2v
783 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
784 H2NCHCHNH2 diaminoethylene   
785 CH7N3 triaminomethane   
786 C4H8 cyclobutane 1A1D2d
787 NH2CH2CH2CH3 1-Propanamine 1A'Cs
788 P(CH3)3 trimethylphosphine 1A1C3v
789 N(SiH3)3 trisilylamine   
790 (CH3)3NH+ protonated trimethyl amine   
791 C3H7NH3+ n-propylamine, protonated 1A'Cs
792 C3O Tricarbon monoxide 1ΣC∞v
793 ONNO NO dimer 1Agtrans C2H
794 ONNO NO dimer 1A1cis C2V
795 S2N2 Disulfur dinitride 1AGD2h
796 CS3-- Carbonotrithioate   
797 NO3- nitrate anion 1A1'D3h
798 NO3+ nitrogen trioxide cation 1A1C2v
799 SO3 Sulfur trioxide 1A1'D3h
800 SeO3 selenium trioxide 1A1'D3h
801 S4 Sulfur tetramer   
802 S4 Sulfur tetramer   
803 S4 Sulfur tetramer   
804 NH2NO2 nitramide 1A'Cs
805 C3H2O Propadienal   
806 C3H2O Propadienal   
807 H2SO3 Sulfurous acid 1A'Cs
808 CH3NCO methylisocyante   
809 HOCH2CN cyanomethanol   
810 CH3NO2 Methane, nitro- 1A'Cs
811 NH2COOH Carbamic acid 1A'Cs
812 NH2COOH Carbamic acid 1AC1
813 H3AlO3 Aluminum hydroxide   
814 NH2CONH2 Urea 1AC2
815 NH2CONH2 Urea 1A'Cs
816 NH2CONH2 Urea 1A1C2v
817 NH2COOH2+ Carbamic acid, O-protonated 1AC1
818 NH3COOH+ protonated Carbamic acid 1A'Cs
819 CH3COCH2 Acetonyl radical 2A"Cs
820 CH2C(OH)NH2 1-amino vinyl alchohol   
821 CH3C(OH)=NH Ethaninidic acid   
822 CH3CHNOH Acetaldoxime 1A'CS cis
823 HCONHCH3 N-methylformamide 1A'CS cis
824 CH3CSNH2 Ethanethioamide   
825 CH5N2O+ urea, N-protonated 1A'Cs
826 H2NCOHNH2+ urea, protonated 1A'Cs
827 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
828 C3H5OH Cyclopropanol 1AC1
829 C3H6O 2-Propen-1-ol 1AC1
830 C3H6O Acetone enol 1A'Cs
831 C3H6O Oxetane 1A1C2v
832 C3H6O Oxetane 1A'Cs
833 CH3CH2CHO Propanal 1A'Cs
834 CH3COCH3- acetone anion 2A'Cs
835 CH3CSCH3 Thioacetone 1A1C2v
836 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
837 CH3OC2H5 Ethane, methoxy- 1A'Cs
838 Li2F2 Lithium fluoride dimer   
839 FNO2 Nitryl fluoride 1A1C2v
840 FONO Nitrosyl hypofluorite 1A'CS cis
841 ClONO chlorine nitrite 1A'CS cis
842 CF2O+ Carbonic difluoride cation   
843 Cl2CS Thiophosgene 1A1C2v
844 BF3 Borane, trifluoro- 1A'D3h
845 BF3+ boron trifluoride cation 2B2C2v
846 BF3+ boron trifluoride cation   
847 AlF3 Aluminum trifluoride 1A1'D3h
848 ScF3 Scandium trifluoride 1A1'D3h
849 BCl3 Borane, trichloro- 1A1'D3h
850 BCl3+ Boron Trichloride cation   
851 GaF3 Gallium trifluoride 1A1'D3h
852 GaCl3 Gallium trichloride 1A1'D3h
853 BBr3 Boron tribromide 1A1'D3h
854 CF3- Trifluoromethyl anion 1A1C3v
855 CF3+ Trifluoromethyl cation 1A1'D3h
856 CF2Cl difluorochloromethyl radical   
857 SiF3 Silicon trifluoride radical 2A1C3v
858 SiF3+ Silicon trifluoride cation 1A1'D3h
859 CFCl2 dichlorofluoromethyl radical   
860 CBr3 tribromomethyl radical   
861 ClO2F Chloryl fluoride 1A'Cs
862 F2SO Thionyl Fluoride 1A'Cs
863 ClOOCl Dichlorine dioxide 1AC2
864 SSCl2 Thiothionyl chloride   
865 NCl3 nitrogen trichloride 1A1C3v
866 AsCl3 Arsenous trichloride 1A1C3v
867 NBr3 Nitrogen Tribromide 1A1C3v
868 PBr3 Phosphorus tribromide 1A1C3v
869 SF3 Sulfur trifluoride 2A'Cs
870 ClF3 Chlorine trifluoride 1A1'D3h
871 ClF3 Chlorine trifluoride 1A1C2v
872 HClO3 Chloric Acid 1A'Cs
873 HClO3 Chloric Acid 1AC1
874 SiHF3 trifluorosilane   
875 CDCl3 trichloromethane-d 1A1C3v
876 CHBrF2 Methane, bromodifluoro- 1A'Cs
877 CHFClBr fluorochlorobromomethane 1AC1
878 CHF2I difluoroiodomethane   
879 CHBr2F dibromofluoromethane   
880 CHFClI fluorochloroiodomethane   
881 NF3H+ protonated nitrogen trifluoride 1A1C3v
882 AsF3H+ Arsenic trifluoride, protonated   
883 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
884 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
885 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
886 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
887 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
888 C2H4F2 1,2-difluoroethane 1AgC2H anti
889 C2H4F2 1,2-difluoroethane 1AC2 gauche
890 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
891 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
892 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
893 CH2BrCH2Cl 1-bromo-2-chloroethane   
894 CH2CHCH2F Allyl Fluoride   
895 CH3CHCHF trans-1-Fluoro-1-propene   
896 CH2FCH2OH 2-fluoroethanol   
897 CH2ClCH2OH 2-Chloroethanol 1A'Cs
898 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
899 CH2FCH2CH3 1-Fluoropropane 1A'Cs
900 CH2FCH2CH3 1-Fluoropropane   
901 CH3CHFCH3 2-Fluoropropane 1A'Cs
902 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
903 B5H9 pentaborane9   
904 C5H4 pentatetraene   
905 C5H6 Propellane 1A1D3h
906 C5H8 Bicyclo[1.1.1]pentane   
907 C5H8 Ethenylcyclopropane 1A'Cs
908 CH2N4 1H-Tetrazole 1A'Cs
909 C3H3N2 imidazolyl radical 2B1C2v
910 C3H3N2- imidizolyl anion 1A1C2v
911 C4H4N pyrrolide radical 2A2C2v
912 C4H4N- pyrrolide anion 1A1C2v
913 C3H4N2 1H-Imidazole 1A'Cs
914 C3H4N2 2H-Imidazole 1A1C2v
915 C3H4N2 4H-Imidazole 1A'Cs
916 C4H5N Pyrrole 1A1C2v
917 C4H6N+ pyrrole, alpha-protonated 1A'Cs
918 C4H6N+ pyrrole, beta-protonated 1A'Cs
919 C4H6N+ pyrrole, protonated 1A1C2v
920 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
921 CH3CH2CH2CN Butanenitrile 1A'Cs
922 NH(C2H5)2 diethylamine 1A'Cs
923 NC4H12+ tetramethyl ammonium cation 1A1Td
924 C3O2 Carbon suboxide 1ΣGD∞h
925 MgCO3 Magnesium Carbonate 1A1C2v
926 BeCO3 Beryllium Carbonate 1A1C2v
927 ONONO Nitrosyl nitrite 1A1C2v
928 HOONO2 peroxy nitric acid 1AC1
929 HSO4- bisulfate anion 1A'Cs
930 C3H2O2 Propiolic acid 1A'Cs
931 CHOOCHO diformyl ether   
932 H2SeO4 Selenic acid 1AC2
933 C3H3NO Oxazole 1A'Cs
934 C3H3NS Thiazole   
935 CH3COCCH 3-butyn-2-one 1A'Cs
936 C4H4Se selenophene   
937 C3H4O2 Methyl glyoxal 1A'Cs
938 HOCHCCHOH allenediol 1AC2
939 C2H4O3 1,2,3-trioxolane 1A'Cs
940 CH3OCH2CN Methoxyacetonitrile 1A'Cs
941 CH3OCH2CN Methoxyacetonitrile 1AC1
942 CH2CHOCHCH2 Vinyl ether 1AC1
943 CH2CHSCHCH2 Divinyl sulfide   
944 CH3CH2COOH Propanoic Acid 1A'Cs
945 HCOOC2H5 Ethyl formate 1A'Cs
946 C2H6O2S Dimethyl sulfone 1A1C2v
947 C4H8S Thiophene, tetrahydro- 1AC1
948 C4H10O 1-Butanol 1A'Cs
949 C4H10O Methyl propyl ether 1AC1
950 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
951 C4H9SH 1-Butanethiol   
952 BrONO2 Bromine nitrate 1A'Cs
953 TiF4 Titanium tetrafluoride 1A1Td
954 CF3Br Bromotrifluoromethane 1A1C3v
955 CBrCl2F bromodichlorofluoromethane   
956 CBr2ClF dibromochlorofluoromethane   
957 CBr2Cl2 dibromodichloromethane 1A1C2v
958 CFBr3 fluorotribromomethane 1A1C3v
959 CBr3Cl tribromochloromethane 1A1C3v
960 CBr4 Carbon tetrabromide 1A1Td
961 ClOF3 Chlorine trifluoride oxide 1A'Cs
962 SF4 Sulfur tetrafluoride 1A1C2v
963 SeF4 Selenium tetrafluoride   
964 CF3OH trifluoromethanol 1A'Cs
965 CH2ClCCCl 1,3-dichloropropyne   
966 CHCl2CCH 3,3-dichloropropyne   
967 CHCl2CHO dichloroacetaldehyde   
968 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
969 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
970 SiCl3CH3 methyltrichlorosilane 1A1C3v
971 CH3CBr3 1,1,1-tribromoethane 1A1C3v
972 SiH3CCl3 (trichloromethyl)silane 1A1C3v
973 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
974 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
975 C2H2N2O Furazan   
976 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
977 NH3BF3 Amminetrifluoroboron 1A1C3v
978 C6H2 hexatriyne 1ΣgD∞h
979 C6H5- phenyl anion 1A1C2v
980 C6H6 Prismane   
981 C6H6 1,2,4,5-Hexatetraene 1AgC2h
982 C6H6 Benzvalene 1A1C2v
983 C6H6 Dewar Benzene   
984 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
985 C6H6 Trimethylenecycopropane 1A'D3h
986 C6H7+ benzene, protonated 1A1C2v
987 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
988 C6H10 1,5-Hexadiene 1AgC2
989 C6H10 3-Hexyne 1A1C2v
990 C6H12 (E)-hex-3-ene 1AGCi
991 C6H12 (Z)-hex-3-ene 1AC2
992 C6H12 2,3-dimethylbut-1-ene 1A'C2
993 C6H12 hex-1-ene 1A'Cs
994 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
995 C4H2N2 Fumaronitrile 1AgC2h
996 C5H6N+ Pyridinium 1A1C2v
997 Na2CO3 Sodium Carbonate 1A1C2v
998 MgSO4 Magnesium Sulfate 1A1C2v
999 C3H2O3 vinylene carbonate   
1000 C2H2O4 Oxalic Acid 1AgC2h
1001 C2H4N2S2 Ethanedithioamide 1AGC2h
1002 C2H4CO3 Ethylene carbonate 1A1C2v
1003 C2H4CO3 Ethylene carbonate 1AC2
1004 C2H5NO3 Nitric acid, ethyl ester 1A'C1
1005 C5H6O 2H-Pyran   
1006 C5H6O Pentadienal   
1007 C4H6O2 γ–Butyrolactone 1AC1
1008 C3H6O3 1,3,5-Trioxane 1A1C1
1009 C3H6S3 1,3,5-Trithiane 1A1C3v
1010 C4H7NO Ethoxyacetonitrile 1A'Cs
1011 C5H8O Cyclopentanone 1AC2
1012 C5H8O Methyl cyclopropyl ketone 1A'Cs
1013 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1014 C4H8O2 Ethyl acetate 1A'Cs
1015 C5H10O 2-methylbutyraldehyde 1AC1
1016 C5H10O 3-Pentanone 1A1C2v
1017 C4F2 difluorobutadiyne   
1018 ClCOClCO Oxalyl chloride 1AGC2h
1019 C2ClF3 Ethene, chlorotrifluoro-   
1020 CF2CCl2 difluorodichloroethylene 1A1C2v
1021 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1022 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1023 C2Br4 tetrabromoethene   
1024 CF3OF Trifluoromethylhypofluorite 1A'Cs
1025 SiF5- silicon pentafluoride anion   
1026 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1027 SF5 Sulfur pentafluoride 2A1C4v
1028 SF5+ pentafluoro sulfur cation 1A1'D3h
1029 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1030 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
1031 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1032 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1033 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1034 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1035 CF3COOH trifluoroacetic acid 1A'Cs
1036 C4H3ClO Furan, 2-chloro 1A'Cs
1037 C4H3ClO Furan,3-chloro 1A'Cs
1038 C7H7 cycloheptatrienyl radical 2A2C2v
1039 C7H7+ cycloheptatrienyl cation 1A1'D7h
1040 C7H14 cycloheptane 1AC2
1041 CH(CN)3 tricyanomethane   
1042 C6H15N triethylamine 1AC3
1043 C6H6O 2,5-Cyclohexadienone 1A1C2v
1044 C7H10 Norbornene   
1045 C3H7OC3H7 di-n-propyl ether 1AC2
1046 F2CCCF2 tetrafluoroallene   
1047 CF3COO- trifluoro acetate anion 1A'Cs
1048 CF3COF trifluoroacetyl fluoride 1A'Cs
1049 PF6 Hexafluorophosphate neutral 2B2C2v
1050 PF6- Hexafluorophosphate ion 1A1GOh
1051 SF6 Sulfur Hexafluoride 1A1GOh
1052 SeF6 Selenium hexafluoride 1A1GOh
1053 SF5Cl sulfur chloropentafluoride 1A1C4v
1054 CF3CHF2 pentafluoroethane 1A'Cs
1055 C8H6 Calicene 1A1C2v
1056 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1057 S4N4 Tetrasulfur tetranitride   
1058 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1059 C4F4 tetrafluorcyclobutadiene 1AGC2h
1060 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1061 C2Cl6 hexachloroethane 1A1gD3d
1062 C6H4Cl2 1,4-dichlorobenzene   
1063 C6H5NO nitrosobenzene 1A'Cs
1064 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
1065 C9H20 Nonane 1A1C2v
1066 C(CN)4 tetracyanomethane 1A1Td
1067 C3H3N3O3 cyanuric acid 1A1'D3h
1068 C3F6 hexafluoropropene   
1069 C6H3F3 Benzene trifluoride 123 1A1C2v
1070 C10H8 Azulene 1A1C2v
1071 C10H10 bullvalene   
1072 C12H8 biphenylene 1AgD2h
1073 C6H5COC6H5 benzophenone 1AC2

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Na- Sodium atom anion na-  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 LiH- lithium hydride anion lih-  
18 NaH- sodium hydride anion nah-  
19 KH+ Potassium hydrogen cation kh+  
20 CuH Copper monohydride cuh  
21 Be- Beryllium atom anion be-  
22 Mg- Magnesium atom anion mg-  
23 Ca Calcium atom ca  
24 Ca- Calcium atom anion ca-  
25 Ca+ Calcium atom cation ca+  
26 Zn Zinc atom zn  
27 Zn- Zinc atom anion zn-  
28 Zn+ Zinc atom cation zn+  
29 BeH- berylium monohydride anion beh-  
30 BeH+ beryllium monohydride cation beh+  
31 MgH- magnesium monohydride anion mgh-  
32 MgH+ magnesium monohydride cation mgh+  
33 ZnH Zinc monohydride znh  
34 CaH2 Calcium Hydride cah2  
35 ZnH2 Zinc hydride znh2  
36 B- Boron atom anion b-  
37 BH- boron monohydride anion bh-  
38 BH+ boron monohydride cation bh+  
39 AlH aluminum monohydride alh  
40 AlH- aluminum monohydride anion alh-  
41 AlH+ aluminum monohydride cation alh+  
42 BH2 boron dihydride bh2  
43 AlH2 aluminum dihydride alh2  
44 AlH2- aluminum dihydride anion alh2-  
45 AlH2+ aluminum dihydride cation alh2+  
46 BH3- boron trihydride anion bh3-  
47 AlH3+ aluminum trihydride cation alh3+  
48 AlH4- Aluminum tetrahydride anion alh4-  
49 C- Carbon atom anion c-  
50 Ti Titanium atom ti  
51 Ti- Titanium atom anion ti-  
52 Ti+ Titanium atom cation ti+  
53 Ge Germanium atom ge  
54 Sn Tin atom sn  
55 Sn+ Tin cation sn+  
56 CH Methylidyne ch  
57 CH- methylidyne anion ch-  
58 CH+ Methylidyne cation ch+  
59 SiH2 silicon dihydride sih2  
60 SiH2- silicon dihydride anion sih2-  
61 SiH2+ silicon dihydride cation sih2+  
62 SiH3- Silyl anion sih3-  
63 GeH3 Germyl radical geh3  
64 CH4+ Methane cation ch4+  
65 SiH4+ Silane cation sih4+  
66 SnH4 Stannane snh4  
67 N- Nitrogen atom anion n-  
68 P- Phosphorus atom anion p-  
69 P+ Phosphorus atom cation p+  
70 Sb Antimony atom sb  
71 NH Imidogen nh  
72 NH- Imidogen anion nh-  
73 NH+ imidogen cation nh+  
74 PH- phosphorus monohydride anion ph-  
75 PH+ phosphorus monohydride cation ph+  
76 AsH Arsenic monohydride ash  
77 SbH Antimony monohydride sbh  
78 ND2 Amidogen-d2 nd2  
79 NH2- amino anion nh2-  
80 PH2 Phosphino radical ph2  
81 PH2- Phosphino anion ph2-  
82 PH2+ Phosphino cation ph2+  
83 AsH2 Arsenic dihydride ash2  
84 ND3 Ammonia-d3 nd3  
85 AsH3+ Arsine cation ash3+  
86 SbH3 Stibine sbh3  
87 AsH4+ Arsonium ash4+  
88 O- Oxygen atom anion o-  
89 Cr Chromium atom cr  
90 Te Tellurium atom te  
91 Te+ Tellurium atom cation te+  
92 DO Hydroxyl-d od  
93 DS Mercapto-d ds  
94 TeH Telluryl radical teh  
95 D2O Deuterium oxide d2o  
96 D2S Hydrogen sulfide-d2 d2s  
97 H2Te Hydrogen Telluride h2te  
98 Mn Manganese atom mn  
99 I Iodine atom iodine  
100 I- Iodine atom anion iodine-  
101 I+ Iodine atom cation iodine+  
102 DF Hydrofluoric acid-d df  
103 HF- hydrogen fluoride anion hf-  
104 HF+ hydrogen fluoride cation hf+  
105 DCl Hydrochloric acid-d dcl  
106 HCl- hydrogen chloride anion hcl-  
107 HI Hydrogen iodide hi  
108 HI+ Hydrogen iodide cation hi+  
109 H2F+ dihydrogen fluoride cation h2f+  
110 H2I+ Iodonium h2i+  
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 anion li2-  
121 Li2+ lithium diatomic cation li2+  
122 NaLi lithium sodium lina  
123 NaLi- lithium sodium anion lina-  
124 NaLi+ lithium sodium cation lina+  
125 LiK Lithium Potassium lik  
126 NaK Sodium Potassium nak  
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 anion be2-  
133 Be2+ Beryllium diatomic cation be2+  
134 Mg2- magnesium diatomic anion mg2-  
135 Mg2+ magnesium diatomic cation mg2+  
136 B2- Boron diatomic anion b2-  
137 Al2 Aluminum diatomic al2  
138 Al2- aluminum diatomic anion al2-  
139 Al2+ aluminum diatomic cation al2+  
140 BC- boron monocarbide anion bc-  
141 BC+ boron monocarbide cation bc+  
142 C2- carbon diatomic anion c2-  
143 SiC- silicon monocarbide anion sic-  
144 SiC+ silicon monocarbide cation sic+  
145 Si2 Silicon diatomic si2  
146 Si2- silcon diatomic anion si2-  
147 Si2+ silcon diatomic cation si2+  
148 GeC Germanium monocarbide gec  
149 Ge2 Germanium diatomic ge2  
150 C2H+ Ethynyl cation c2h+  
151 ZnCH2 Zinc methylene znch2  
152 CCH2 vinylidene vinylidene  
153 Si2H2 disilyne si2h2  
154 CuCH3 monomethyl copper cuch3  
155 ZnCH3 Zinc monomethyl znch3  
156 CH3CH methylmethylene ch3ch  
157 CH2SiH2 silaethylene ch2sih2  
158 C2H5+ Ethyl cation c2h5+  
159 C2H6+ ethane cation c2h6+  
160 CH3SiH3 methyl silane ch3sih3  
161 GeH3CH3 methyl germane geh3ch3  
162 C2H7+ Ethane, protonated c2h7+  
163 LiN Lithium Nitride lin  
164 LiN+ Lithium Nitride cation lin+  
165 BeN- Beryllium mononitride anion ben-  
166 BN- boron nitride anion bn-  
167 AlN- aluminum mononitride anion aln-  
168 AlN+ aluminum mononitride cation aln+  
169 BN+ boron nitride cation bn+  
170 AlN Aluminum nitride aln  
171 CN+ Cyano cation cn+  
172 CP Carbon monophosphide cp  
173 CP- carbon monophosphide anion cp-  
174 CP+ carbon monophosphide cation cp+  
175 SiN Silicon nitride sin  
176 SiN- silicon mononitride anion sin-  
177 SiN+ silicon mononitride cation sin+  
178 SiP- Silicon monophosphide anion sip-  
179 SiP+ Silicon monophosphide cation sip+  
180 TiN Titanium mononitride tin  
181 PN Phosphorus mononitride pn  
182 PN- phosphorus nitride anion pn-  
183 PN+ phosphorus nitride cation pn+  
184 P2- phosphorus diatomic anion p2-  
185 P2+ phosphorus diatomic cation p2+  
186 SbN Antimony nitride sbn  
187 As2 Arsenic diatomic as2  
188 HNB hydrogen nitrogen boron hnb  
189 HNC hydrogen isocyanide hnc  
190 HCN- Hydrogen cyanide anion hcn-  
191 HCP Phosphaethyne hcp  
192 HCP+ Phosphaethyne cation hcp+  
193 NNH Dinitrogen monohydride nnh  
194 HPO Hydrogen phosphorus oxide hpo  
195 HPO+ Hydrogen phosphorus oxide cation hpo+  
196 CNH2+ N-protonated hydrogen isocyanide cnh2+  
197 H2CN+ hydrocyanonium cation h2cn+  
198 HCNH+ N-protonated HCN hcnh+  
199 H2NN Isodiazene h2nn  
200 P2H4 Diphosphine p2h4  
201 CH3PH2 Methyl phosphine ch3ph2  
202 CH3NH3+ protonated methylamine ch3nh3+  
203 LiO- lithium oxide anion lio-  
204 LiO+ lithium oxide cation lio+  
205 NaO- sodium oxide anion nao-  
206 NaO+ sodium oxide cation nao+  
207 CuO Copper Monoxide cuo  
208 LiSe Lithium monoselenide lise  
209 BeO- Beryllium monoxide anion beo-  
210 BeS beryllium sulfide bes  
211 MgO magnesium oxide mgo  
212 MgO- magnesium oxide anion mgo-  
213 MgO+ magnesium oxide cation mgo+  
214 MgS magnesium sulfide mgs  
215 MgS- magnesium sulfide anion mgs-  
216 MgS+ magnesium sulfide cation mgs+  
217 ZnO zinc monoxide zno  
218 ZnS Zinc sulfide zns  
219 BeS- Beryllium monosulfide anion bes-  
220 BeS+ Beryllium monosulfide cation bes+  
221 BO- boron monoxide anion bo-  
222 AlO Aluminum monoxide alo  
223 AlO- Aluminum monoxide anion alo-  
224 AlO+ aluminum monoxide cation alo+  
225 BS boron sulfide bs  
226 BS- boron monosulfide anion bs-  
227 BS+ boron monosulfide cation bs+  
228 AlS Aluminum sulfide als  
229 AlS- aluminum monosulfide anion als-  
230 AlS+ aluminum monosulfide cation als+  
231 GaS Gallium monosulfide gas  
232 BO+ boron monoxide cation bo+  
233 CS carbon monosulfide cs  
234 CS- carbon monosulfide anion cs-  
235 CS+ carbon monosulfide cation cs+  
236 SiO Silicon monoxide sio  
237 SiO- silicon monoxide anion sio-  
238 SiO+ silicon monoxide cation sio+  
239 SiS silicon monosulfide sis  
240 SiS- silicon monosulfide anion sis-  
241 SiS+ silicon monosulfide cation sis+  
242 CSe Carbon monoselenide cse  
243 CSe- Carbon monoselenide anion cse-  
244 CSe+ Carbon monoselenide cation cse+  
245 GeSe Germanium monoselenide gese  
246 NS+ nitrogen sulfide cation ns+  
247 PO- phosphorus monoxide anion po-  
248 PO+ phosphorus monoxide cation po+  
249 PS- phosphorus monosulfide anion ps-  
250 PS+ phosphorus monosulfide cation ps+  
251 AsO Arsenic monoxide aso  
252 O2-- dioxygen dianion o2--  
253 SO- sulfur monoxide anion so-  
254 S2- sulfur diatomic anion s2-  
255 S2+ sulfur diatomic cation s2+  
256 SeO- selenium monoxide anion seo-  
257 SeO+ selenium monoxide cation seo+  
258 SeS Selenium monosulfide ses  
259 SeS- selenium monosulfide anion ses-  
260 SeS+ selenium monosulfide cation ses+  
261 TeO Tellurium monoxide teo  
262 Se2 Selenium diatomic se2  
263 Se2- selenium diatomic anion se2-  
264 Se2+ selenium diatomic cation se2+  
265 Te2 Tellurium diatomic te2  
266 NaOH sodium hydroxide naoh  
267 MgOH magnesium hydroxide mgoh  
268 CaOH Calcium monohydroxide caoh  
269 HBS hydrogen boron sulfide hbs  
270 HCO Formyl radical hco  
271 HCO+ Formyl cation hco+  
272 HCS Thioformyl radical hcs  
273 HCS- Thioformyl anion hcs-  
274 HCS+ Thioformyl cation hcs+  
275 HNO Nitrosyl hydride hno  
276 HNO- Nitrosyl hydride anion hno-  
277 HNS Sulfur imide hns  
278 HNS- Sulfur imide anion hns-  
279 HO2- Hydroperoxy anion ho2-  
280 H2CSe Selenoformaldehyde h2cse  
281 H2Se2 hydrogen diselenide h2se2  
282 CH3O Methoxy radical ch3o  
283 CH3S thiomethoxy ch3s  
284 H3O2+ hydrogen peroxide, protonated h3o2+  
285 CH3SeH Methane selenol ch3seh  
286 CH3OH2+ Methanol, protonated ch3oh2+  
287 H2ONH3 Water Ammonia Dimer h2onh3  
288 LiCl- lithium chloride anion licl-  
289 LiCl+ lithium chloride cation licl+  
290 NaF- sodium fluoride anion naf-  
291 KF Potassium Fluoride kf  
292 NaCl- sodium chloride anion nacl-  
293 NaCl+ sodium chloride cation nacl+  
294 KCl Potassium Chloride kcl  
295 CuF Copper monofluoride cuf  
296 LiBr- lithium bromide anion libr-  
297 LiBr+ lithium bromide cation libr+  
298 CuCl Copper monochloride cucl  
299 NaBr Sodium Bromide nabr  
300 NaBr- sodium bromide anion nabr-  
301 NaBr+ sodium bromide cation nabr+  
302 KBr Potassium Bromide kbr  
303 LiI Lithium Iodide lii  
304 NaI Sodium Iodide nai  
305 KI Potassium Iodide ki  
306 LiF- lithium fluoride anion lif-  
307 BeF Beryllium monofluoride bef  
308 BeF+ Beryllium monofluoride cation bef+  
309 BeCl beryllium monochloride becl  
310 MgF Magnesium monofluoride mgf  
311 MgF- magnesium fluoride anion mgf-  
312 CaF Calcium monofluoride caf  
313 MgCl magnesium monochloride mgcl  
314 MgCl- magnesium monochloride anion mgcl-  
315 MgCl+ magnesium monochloride cation mgcl+  
316 CaCl calcium monochloride cacl  
317 ZnF- Zinc monofluoride anion znf-  
318 ZnF+ Zinc monofluoride cation znf+  
319 ZnCl Zinc monochloride zncl  
320 BeCl- beryllium monochloride anion becl-  
321 BeCl+ beryllium monochloride cation becl+  
322 BF- Boron monofluoride anion bf-  
323 BF+ Boron monofluoride cation bf+  
324 AlF Aluminum monofluoride alf  
325 AlF- Aluminum monofluoride anion alf-  
326 AlF+ Aluminum monofluoride cation alf+  
327 BCl boron monochloride bcl  
328 BCl- boron monochloride anion bcl-  
329 BCl+ boron monochloride cation bcl+  
330 AlCl- aluminum monochloride anion alcl-  
331 AlCl+ aluminum monochloride cation alcl+  
332 AlI Aluminum monoiodide ali  
333 GaBr Gallium monobromide gabr  
334 CF- carbon monofluoride anion cf-  
335 CF+ carbon monofluoride cation cf+  
336 CCl carbon monochloride ccl  
337 CCl- carbon monochloride anion ccl-  
338 CCl+ carbon monochloride cation ccl+  
339 SiCl Clorosilylidyne sicl  
340 SiCl- silicon monochloride anion sicl-  
341 SiCl+ silicon monochloride cation sicl+  
342 GeF Germanium monofluoride gef  
343 GeCl Germanium monochloride gecl  
344 NF nitrogen fluoride nf  
345 NF- nitrogen monofluorine anion nf-  
346 NF+ nitrogen monofluoirde cation nf+  
347 NCl- nitrogen monochloride anion ncl-  
348 NCl+ nitrogen monochloride cation ncl+  
349 PF phosphorus monofluoride pf  
350 PF- phosphorus monofluoride anion pf-  
351 PF+ phosphorus monofluoride cation pf+  
352 PCl phosphorus chloride pcl  
353 PCl- phosphorus monochloride anion pcl-  
354 PCl+ phosphorus monochloride cation pcl+  
355 SbF Antimony monofluoride sbf  
356 SbCl Antimony monochloride sbcl  
357 FO- flourine oxide anion fo-  
358 FO+ fluorine monoxide cation fo+  
359 ClO Monochlorine monoxide clo  
360 ClO- chlorine monoxide anion clo-  
361 ClO+ chlorine monoxide cation clo+  
362 SF- sulfur monofluoride anion sf-  
363 SF+ sulfur monofluoride cation sf+  
364 SCl- sulfur monochloride anion scl-  
365 SCl+ sulfur monochloride cation scl+  
366 BrO+ Bromine monoxide cation bro+  
367 SBr Sulfur monobromide radical sbr  
368 SBr+ Sulfur monobromide cation sbr+  
369 IO Iodine monoxide io  
370 SeBr Selenium monobromide sebr  
371 ClF- clorine monofluoride anion clf-  
372 BrF- bromine fluoride anion brf-  
373 BrF+ bromine fluoride cation brf+  
374 BrCl- bromine chloride anion brcl-  
375 BrCl+ bromine chloride cation brcl+  
376 IF Iodine monofluoride if  
377 ICl Iodine monochloride icl  
378 IBr Iodine monobromide ibr  
379 I2 Iodine diatomic i2  
380 I2+ Iodine diatomic cation i2+  
381 HSiF fluorosilylene hsif  
382 HSiCl Chlorosilylene hsicl  
383 HSiBr monobromosilylene hsibr  
384 CHBr bromomethylene chbr  
385 HOF Hypofluorous acid hfo  
386 DOCl Hypochlorous acid-d docl  
387 HOI Hypoiodous acid hoi  
388 FHF Hydrogen difluoride fhf  
389 FHF- Hydrogen difluoride anion fhf-  
390 NH2F monofluoroamine nh2f  
391 H2F2 Hydrogen fluoride dimer h2f2  
392 CH3Cl+ Methyl chloride cation ch3cl+  
393 SiH3F monofluorosilane sih3f  
394 GeH3F monofluorogermane geh3f  
395 GeH3Cl monochlorogermane geh3cl  
396 CH3I methyl iodide ch3i  
397 SiH3I Silyl Iodide sih3i  
398 Ne2 Neon diatomic ne2  
399 C3+ carbon trimer cation c3+  
400 SiC2 Silicon dicarbide sic2  
401 C3H3 Propargyl radical propargyl  
402 C3H3- Propargyl anion c3h3-  
403 C3H3+ cyclopropenyl cation cpr+  
404 C3H3+ Propargyl cation c3h3+  
405 CH2CCH2 allene allene  
406 C3H5+ Allyl cation allyl+  
407 Zn(CH3)2 dimethyl zinc dmz  
408 SiH2(CH3)2 dimethylsilane dms  
409 CuCN Copper cyanide cucn  
410 AlCN Aluminum monocyanide alcn  
411 AlNC Aluminum isocyanide alnc  
412 CNN Diazocarbene cnn  
413 N3- azide anion n3-  
414 HCNN diazomethyl radical hcnn  
415 HN3 hydrogen azide hn3  
416 CH2N2 diazirine ch2n2  
417 CH2NN diazomethane ch2nn  
418 NH2NN+ hydrazoic acid, protonated nh2nn+  
419 CH3CN+ Acetonitrile cation ch3cn+  
420 CH3NC methyl isocyanide ch3nc  
421 NHCHNH2 aminomethanimine cn2h4  
422 C2H5N Aziridine c2h5n  
423 CH2CHNH2 aminoethene aminoethene  
424 CH2NCH3 N-methylmethanimine nmm  
425 NH2BHNH2 diaminoborane nh2bhnh2  
426 CH3NHCH3 Dimethylamine ch3nhch3  
427 NH2CH2NH3+ diaminoethane, protonated pdam  
428 Li2O+ dilithium oxide cation li2o+  
429 LiO2 Lithium dioxide lio2  
430 CNO- fulminate cno-  
431 NCO- cyanate nco-  
432 SCN thiocyanato radical scn  
433 SCN- thiocyanide anion scn-  
434 BO2 Boron dioxide bo2  
435 BO2- Boron dioxide anion bo2-  
436 BO2+ Boron dioxide cation bo2+  
437 N2O+ Nitrous oxide cation n2o+  
438 CO2- Carbon dioxide anion co2-  
439 OCS+ Carbonyl sulfide cation cos+  
440 SiO2 silicon dioxide sio2  
441 CS2+ Carbon disulfide cation cs2+  
442 GeO2 Germanium dioxide geo2  
443 SCTe Carbon sulfide Telluride scte  
444 NO2- Nitrogen dioxide anion no2-  
445 PO2 Phosphorus dioxide po2  
446 PO2- Phosphorus dioxide anion po2-  
447 PO2+ Phosphorus dioxide cation po2+  
448 O3- Ozone anion o3-  
449 O3+ Ozone cation o3+  
450 SO2- Sulfur dioxide anion so2-  
451 SO2+ Sulfur dioxide cation so2+  
452 SSO Disulfur monoxide sso  
453 S3- Sulfur trimer anion s3-  
454 TeO2 Tellurium Dioxide teo2  
455 CS2H+ Carbon disulfide, protonated cs2h+  
456 HNCO Isocyanic acid hnco  
457 HOCN cyanic acid hocn  
458 HCO2- formate anion hco2-  
459 HNNO nitrosoazane hnno  
460 HOCO+ Hydrocarboxyl cation hoco+  
461 HNO2 Nitrous acid hno2  
462 HNO2+ nitrous acid cation hno2+  
463 CH2CO+ Ketene cation ch2co+  
464 HCCOH ethynol hccoh  
465 Mg(OH)2 Magnesium dihydroxide h2mgo2  
466 CH2O2 Dioxirane diox  
467 CH2CHO Vinyloxy radical ch2cho  
468 CH3CO Acetyl radical ch3co  
469 CH3CO- Acetyl anion ch3co-  
470 CH3CO+ acetyl cation ch3co+  
471 CH2OOH CH2OOH radical ch2ooh  
472 CH3OO methylperoxy radical ch3oo  
473 CH3OO- methylperoxy anion ch3oo-  
474 CH3OO+ methylperoxy cation ch3oo+  
475 CH2CHOH ethenol ch2choh  
476 NH3CHO+ Formamide, N-Protonated nh3cho+  
477 CH3OOH Methyl peroxide ch3ooh  
478 H2OH2CO water formaldehyde dimer h2oh2co  
479 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
480 CH3CH2O Ethoxy radical ethoxy  
481 CH3OCH2 methoxymethyl radical ch3och2  
482 CH3CH2OH Ethanol etoh  
483 CH3OCH3 Dimethyl ether meome  
484 CH3OHH2O methanol water dimer ch3ohh2o  
485 H2OCH3OH water methanol dimer h2och3oh  
486 ZnF2 Zinc difluoride znf2  
487 FCN Cyanogen fluoride fcn  
488 ClCN chlorocyanogen clcn  
489 ICN Cyanogen iodide icn  
490 FBO Boron monofluoride monoxide fbo  
491 MgCl2 Magnesium dichloride mgcl2  
492 ZnCl2 Zinc dichloride zncl2  
493 BeBr2 Beryllium bromide bebr2  
494 CaF2 Calcium difluoride caf2  
495 FNO Nitrosyl fluoride fno  
496 ClNO Nitrosyl chloride clno  
497 BrNO Nitrosyl bromide brno  
498 INO Nitrosyl iodide ino  
499 CF2- Difluoromethylene anion cf2-  
500 CF2+ Difluoromethylene cation cf2+  
501 SiF2 Silicon difluoride sif2  
502 CCl2 dichloromethylene ccl2  
503 CCl2- dichloromethylene anion ccl2-  
504 CCl2+ dichloromethylene cation ccl2+  
505 SiCl2 Dichlorosilylene sicl2  
506 GeCl2 Germanium dichloride gecl2  
507 FOO Dioxygen monofluoride radical foo  
508 FOO+ Fluorine dioxide cation foo+  
509 ClOO chloroperoxy radical cloo  
510 ClOO+ chloroperoxy cation cloo+  
511 OClO Chlorine dioxide oclo  
512 OClO+ Chlorine dioxide cation oclo+  
513 ClS2 Sulfur chloride cls2  
514 OBrO Bromine dioxide radical obro  
515 NF2 Difluoroamino radical nf2  
516 NF2+ Difluoroamino cation nf2+  
517 PF2+ Phosphorus difluoride cation pf2+  
518 F2O Difluorine monoxide f2o  
519 SF2+ sulfur difluoride cation sf2+  
520 Cl2O Dichlorine monoxide cl2o  
521 SeF2 Selenium difluoride sef2  
522 BrOCl Bromine hypochlorite brocl  
523 SeCl2 Selenium Dichloride secl2  
524 SBr2 Sulfur dibromide sbr2  
525 SeBr2 Selenium dibromide sebr2  
526 BrOBr Bromine oxide brobr  
527 Br3- tribromide anion br3-  
528 I3- triiodide i3-  
529 HCCF Fluoroacetylene hccf  
530 HCCF+ fluoroacetylene cation hccf+  
531 HFCO formyl fluoride hfco  
532 COHCl Formyl chloride cohcl  
533 COHBr Formyl bromide cohbr  
534 BHF2 Difluoroborane bhf2  
535 BHCl2 Borane, dichloro- bhcl2  
536 CHF2 difluoromethyl radical chf2  
537 HOClO Chlorous acid hoclo  
538 CH2F2 Methane, difluoro- ch2f2  
539 CH2FCl fluorochloromethane ch2fcl  
540 CH2ClI chloroiodomethane ch2cli  
541 CH2BrI bromoiodomethane ch2bri  
542 CH2CHF Ethene, fluoro- ch2chf  
543 CH2CHF+ fluoroethene cation ch2chf+  
544 C2H3Cl Ethene, chloro- ch2chcl  
545 C2H3Br vinyl bromide c2h3br  
546 C2H3I Vinyl iodide c2h3i  
547 CH3OCl methyl hypochlorite ch3ocl  
548 C2H5F fluoroethane c2h5f  
549 CH3CH2Cl Ethyl chloride c2h5cl  
550 CH3SiFH2 fluoromethylsilane ch3sifh2  
551 C2H5Br Ethyl bromide etbr  
552 C2H5I Ethyl iodide c2h5i  
553 XeF2 Xenon difluoride xef2  
554 C4+ Carbon tetramer cation c4+  
555 C2H3CCH 1-Buten-3-yne c2h3cch  
556 H2CCCCH2 Butatriene h2cccch2  
557 C4H6 1-Methylcyclopropene c3100047  
558 C4H6 Cyclobutene c822355  
559 C4H6 Methylenecyclopropane c6142730  
560 CH2CCHCH3 1,2-Butadiene butad12  
561 CH3CCCH3 2-Butyne c503173  
562 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
563 CH3CHCHCH3 2-Butene, (E)- bute2e  
564 CH3CHCHCH3 2-Butene, (Z)- bute2z  
565 B(CH3)3 trimethylborane bme3  
566 Al(CH3)3 trimethyl aluminum tma  
567 C(CH3)3 Tert-butyl radical tbutyl  
568 CH2CH(CH3)2 Isobutyl radical isobutyl  
569 CH3CHCH2CH3 2-Butyl radical butyl2  
570 CH3CH(CH3)CH3 Isobutane isobutane  
571 SiH(CH3)3 trimethylsilane trimsi  
572 C2N2+ Cyanogen cation c2n2+  
573 P4 Phosphorus tetramer p4  
574 HCCCN Cyanoacetylene hcccn  
575 C3H3N acrylonitrile ch2chcn  
576 C2H5CN ethyl cyanide c2h5cn  
577 CH5N3 Guanidine guanidine  
578 CH6N3+ guanidinium ch6n3+  
579 C3H7N Cyclopropylamine cpram  
580 C3H7N Azetidine azet  
581 C2H8N2 Ethylenediamine ethdiam  
582 CH3NHNHCH3 dimethyl hydrazine dmh  
583 CH3CH(NH2)CH3 2-Propanamine pram2  
584 N(CH3)3 Trimethylamine trimeam  
585 As(CH3)3 trimethyl arsine tmas  
586 Li2O2 dilithium dioxide li2o2  
587 Na2O2 disodium dioxide na2o2  
588 K2O2 dipotassium dioxide k2o2  
589 B2O2 Diboron dioxide b2o2  
590 CO3 Carbon trioxide co3  
591 CO3-- carbonate co3--  
592 NO3 Nitrogen trioxide no3  
593 SO3- Sulfur trioxide anion so3-  
594 SO3-- Sulfate dianion so3--  
595 SO3+ Sulfur trioxide cation so3+  
596 TeO3 Tellurium trioxide teo3  
597 HCO3- bicarbonate anion hco3-  
598 HNO3 Nitric acid hno3  
599 HSO3 Hydroxysulfonyl radical hso3  
600 C2H2CO cyclopropenone c2h2co  
601 HCCCHO 2-propynal hcccho  
602 C2H2O2 Ethanedial c2h2o2  
603 C2H2O2+ Ethanedial cation c2h2o2+  
604 H2CO3 Carbonic acid h2co3  
605 H2CS3 thiocarbonic acid h2cs3  
606 H2NO3+ Nitric Acid, Protonated h2no3+  
607 C2H3NO Nitrosoethylene c2h3no  
608 CH3COO- acetate anion ch3coo-  
609 CH3ONO Methyl nitrite ch3ono  
610 H3BO3 Boric acid h3bo3  
611 H3CO3+ carbonic acid, protonated h3co3+  
612 C3H4O 2-Propyn-1-ol c107197  
613 C3H4O allenol c9000071  
614 C3H4O Cyclopropanone cpone  
615 C3H4O Methylketene c6004440  
616 CH2CHCHO Acrolein c3h4o  
617 NH2CONH2+ Urea cation urea+  
618 NH2CSNH2 Thiourea thiourea  
619 C2H4O2 1,3-dioxetane c2h4o2  
620 CH3COOH Acetic acid ch3cooh  
621 CH3OCHO methyl formate ch3ocho  
622 CHOCH2OH hydroxy acetaldehyde haa  
623 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
624 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
625 HCOOHH2O Formic acid water dimer hcoohh2o  
626 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
627 CH3CONH2 Acetamide acetamide  
628 C2H5OO ethylperoxy radical c2h5oo  
629 C3H6O Propylene oxide prox  
630 CH3COCH3 Acetone acetone  
631 C3H6S Thietane thietane  
632 C3H6S Thiirane, methyl- methiirane  
633 C2H6O2 1,2-Ethanediol ethdiol  
634 CH3OOCH3 dimethylperoxide dmp  
635 CH3SOCH3 Dimethyl sulfoxide dmso  
636 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
637 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
638 CH3COHCH3+ acetone, protonated acetoneh+  
639 C3H7OH 1-Propanol proh  
640 CH3CHOHCH3 Isopropyl alcohol isoproh  
641 C3H7SH 1-Propanethiol prsh  
642 CH3CHSHCH3 2-Propanethiol isoprsh  
643 CH3SCH2CH3 Ethane, (methylthio)- etsme  
644 H2OCH3OCH3 water dimethylether dimer h2och3och3  
645 Na2F2 Sodium Fluoride Dimer na2f2  
646 Na2Cl2 Disodium dichloride na2cl2  
647 C2F2 difluoroacetylene c2f2  
648 C2Cl2 dichloroacetylene c2cl2  
649 C2Cl2+ dichloroacetylene cation c2cl2+  
650 ClNO2 Nitryl chloride clno2  
651 BrONO Bromine nitrite brono  
652 N2F2 (Z)-Difluorodiazene n2f2_z  
653 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
654 CF2O Carbonic difluoride f2co  
655 COFCl Carbonic chloride fluoride cofcl  
656 CCl2O Phosgene cl2co  
657 COBr2 Carbonic dibromide cobr2  
658 BF3- Borane, trifluoro- anion bf3-  
659 BClF2 Chlorodifluoroborane bclf2  
660 AlF2Cl Aluminum chloride difluoride alclf2  
661 AlFCl2 Aluminum dichloride fluoride alcl2f  
662 AlCl3 Aluminum trichloride alcl3  
663 AlBr3 Aluminum Bromide albr3  
664 ClO3 Chlorine trioxide clo3  
665 ClO3- chlorate anion clo3-  
666 BrO3- Bromate anion bro3-  
667 CF3 Trifluoromethyl radical cf3  
668 CCl3 Trichloromethyl radical ccl3  
669 CCl3- Trichloromethyl anion ccl3-  
670 CCl3+ Trichloromethyl cation ccl3+  
671 SiCl3 trichlorosilyl radical sicl3  
672 SiCl3+ trichlorosilyl cation sicl3+  
673 FOOF Perfluoroperoxide foof  
674 FSSF Difluorodisulfane fssf  
675 S2F2 Thio-thionyl fluoride s2f2  
676 SOCl2 thionyl chloride socl2  
677 SeOCl2 selenium oxychloride seocl2  
678 NF3 Nitrogen trifluoride nf3  
679 NF3- Nitrogen trifluoride anion nf3-  
680 NF3+ Nitrogen trifluoride cation nf3+  
681 PF3 Phosphorus trifluoride pf3  
682 AsF3 Arsenic trifluoride asf3  
683 PCl3 Phosphorus trichloride pcl3  
684 SbF3 Antimony Trifluoride sbf3  
685 SbCl3 Antimony Trichloride sbcl3  
686 AsBr3 Arsenic tribromide asbr3  
687 NI3 Nitrogen triiodide ni3  
688 PI3 Phosphorus triiodide pi3  
689 ClSSCl Disulfur dichloride s2cl2  
690 BrF3 Bromine trifluoride brf3  
691 IF3 iodone trifluoride if3  
692 CHF3 Methane, trifluoro- chf3  
693 CHF2Cl difluorochloromethane chf2cl  
694 CHFCl2 fluorodichloromethane chfcl2  
695 CHCl3 Chloroform chcl3  
696 SiHCl3 Trichlorosilane sihcl3  
697 CHBrCl2 Methane, bromodichloro- chbrcl2  
698 CHCl2I dichloroiodomethane chcl2i  
699 CHClBr2 Methane, dibromochloro- chclbr2  
700 CHBr3 bromoform chbr3  
701 CHI3 Iodoform chi3  
702 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
703 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
704 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
705 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
706 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
707 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
708 C2H2Br2 1,1-dibromoethene c2h2br2  
709 CH2FCHO Fluoroacetaldehyde ch2fcho  
710 CH3COF Acetyl fluoride ch3cof  
711 CH2ClCHO chloroacetaldehyde ch2clcho  
712 CH3COCl Acetyl Chloride ch3cocl  
713 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
714 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
715 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
716 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
717 CH2CFCH3 2-fluoropropene 2fpro  
718 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
719 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
720 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
721 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
722 CH3CH2CH2Br n-propyl bromide prbr  
723 CH3CHBrCH3 i-propyl bromide iprbr  
724 C3H9O+ trimethyl oxonium cation c3h9o+  
725 C5H5 cyclopentadienyl radical c5h5  
726 C5H5- cylopentadienyl anion c5h5-  
727 C5H6 1,3-Cyclopentadiene c542927  
728 C5H6 1-Buten-3-yne, 2-methyl- c78808  
729 C5H6 3-Penten-1-yne, (E)- c2004695  
730 C5H6 3-Penten-1-yne, (Z)- c1574409  
731 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
732 C5H6 Cyclopropylacetylene c6746947  
733 C5H7 1,3-pentadienyl radical pdyl  
734 C5H7 cyclopentenyl radical cpyl  
735 C5H8 1,2-Butadiene, 3-methyl- c598254  
736 C5H8 1,2-Pentadiene c591957  
737 C5H8 1,3-Butadiene, 2-methyl- c78795  
738 C5H8 1,3-Pentadiene, (E)- c2004708  
739 C5H8 1,3-Pentadiene, (Z)- c1574410  
740 C5H8 1,4-Pentadiene c591935  
741 C5H8 1-pentyne a1pentyne  
742 C5H8 2,3-Pentadiene c591968  
743 C5H8 Cyclobutane, methylene- c1120565  
744 C5H8 Cyclopentene c142290  
745 CH3CCCH2CH3 2-Pentyne 2pentyne  
746 C5H10 1-Butene, 2-methyl- c563462  
747 C5H10 2-Butene, 2-methyl- c513359  
748 C5H10 2-Pentene, (E)- c646048  
749 C5H10 2-Pentene, (Z)- c627203  
750 C5H10 Cyclopentane c287923  
751 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
752 CH2CHCH2CH2CH3 1-pentene pentene  
753 C5H11 2-Methylbut-2-yl radical c4348350  
754 C5H12 Butane, 2-methyl- buta2  
755 C5H12 Pentane pentane  
756 C5H12 Propane, 2,2-dimethyl- neopentane  
757 Si(CH3)4 tetramethylsilane tms  
758 N2O3 Dinitrogen trioxide n2o3  
759 C3H2N2 Malononitrile c3h2n2  
760 C2H3N3 1H-1,2,4-Triazole c288880  
761 C3H4N2 1H-Pyrazole 1hpyraz  
762 C4H5N (E)-2-Butenenitrile c627269  
763 C4H5N (Z)-2-Butenenitrile c1190767  
764 C4H5N 2H-pyrrole pyrrole2  
765 C4H5N 3H-pyrrole pyrrole3  
766 C4H5N Cyclopropanecarbonitrile c5500210  
767 CH2CHCH2CN Allylcyanide ch2chch2cn  
768 C3H6N2 3-Aminopropionitrile c151188  
769 C5H8 Bicyclo[2.1.0]pentane c185944  
770 C5H8 Spiropentane c157404  
771 C4H9N Cyclobutylamine cbam  
772 C4H9N Pyrrolidine pyrrolidine  
773 C3H10N2 1,2-Diaminopropane diampr12  
774 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
775 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
776 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
777 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
778 C3O2+ Carbon suboxide cation c3o2+  
779 B2O3 diboron trioxide b2o3  
780 CaCO3 Calcium Carbonate caco3  
781 PO4--- phosphate po4---  
782 SO4-- sulfate so4--  
783 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
784 CHOCOOH oxo acetic acid oaa  
785 H2SO4 Sulfuric acid h2so4  
786 C3H3NO Isoxazole isox  
787 CH3C(O)OO acetyl peroxy radical ch3coo2  
788 CH3NO3 Methyl nitrate ch3no3  
789 H3PO4 Phosphoric Acid h3po4  
790 C4H4O Furan furan  
791 C4H4O+ Furan cation furan+  
792 C4H4S Thiophene furans  
793 C3H4O2 β–Propiolactone beta  
794 C3H4O2 2-Propenoic acid propenoic2  
795 C3H4O2 propanedial propanedial  
796 C3H4O2 propenalol propenalol  
797 C2H4O3 trioxolane124 triox  
798 HOCH2COOH Hydroxyacetic acid hac  
799 CH2CHCONH2 Acrylamide c79061  
800 CH5N3S Hydrazinecarbothioamide c79196  
801 H2NCH2COOH Glycine glycine  
802 CH3SO2NH2 methanesulfonamide ch3so2nh2  
803 C4H6O cis-2-butenal butenal2c  
804 C4H6O Cyclobutanone cbutone  
805 C4H6O Furan, 2,3-dihydro- furan23h  
806 C4H6O Furan, 2,5-dihydro- furan25h  
807 CHOCHCHCH3 2-Butenal butenal2  
808 C4H6S Thiophene, 2,3-dihydro- thiop23h  
809 C4H6S Thiophene, 2,5-dihydro- thiop25h  
810 C2H6N2O Urea, methyl- c598505  
811 C3H6O2 1,3-Dioxolane dioxolane  
812 CH3COOCH3 methyl acetate aame  
813 CH3SSSCH3 dimethyl trisulfide c2h6s3  
814 C3H7NO dimethylformamide dmf  
815 C3H7NO Propanamide propanam  
816 C2H3OC2H5 Ethene, ethoxy- c109922  
817 C4H8O Cyclobutanol c2919235  
818 C4H8O Furan, tetrahydro- thf  
819 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
820 CH3COCH2CH3 2-Butanone buta2one  
821 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
822 CHOCH2CH2CH3 Butanal butanal  
823 C3H8O2 1,3-Propanediol c504632  
824 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
825 C3H8O2 Methane, dimethoxy- c109875  
826 C3H8O2 Propylene glycol c57556  
827 C3H8S2 1,3-Propanedithiol c109808  
828 C4H10O 1-Propanol, 2-methyl- c78831  
829 C4H10O 2-Butanol, (.+/-.)- butanol2  
830 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
831 C4H10O Ethoxy ethane etoet  
832 C4H10O Propane, 2-methoxy- c598538  
833 C4H10O+ 1-Butanol cation butanol1+  
834 C2H5SC2H5 Diethyl sulfide etset  
835 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
836 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
837 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
838 FNO3 Fluorine nitrate fno3  
839 ClONO2 Chlorine nitrate clono2  
840 TiCl4 Titanium tetrachloride ticl4  
841 ClO4- perchlorate anion clo4-  
842 BF4- tetrafluoroboron anion bf4-  
843 ClFO3 Perchloryl fluoride clfo3  
844 SO2F2 Sulfuryl fluoride so2f2  
845 SO2Cl2 Sulfuryl chloride so2cl2  
846 F3NO Nitrogen trifluoride oxide f3no  
847 F3PO Phosphoryl fluoride pf3o  
848 Cl3PO Phosphoryl chloride pcl3o  
849 CF4 Carbon tetrafluoride cf4  
850 CF3Cl Methane, chlorotrifluoro- cf3cl  
851 SiF4 Silicon tetrafluoride sif4  
852 CF2Cl2 difluorodichloromethane cf2cl2  
853 CFCl3 Trichloromonofluoromethane cfcl3  
854 GeF4 Germanium tetrafluoride gef4  
855 CCl4 Carbon tetrachloride ccl4  
856 CCl4+ Carbon tetrachloride cation ccl4+  
857 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
858 SiCl4 Silane, tetrachloro- sicl4  
859 CF3I trifluoroiodomethane cf3i  
860 CBrCl3 Methane, bromotrichloro- cbrcl3  
861 CBr2F2 Methane, dibromodifluoro- cbr2f2  
862 GeCl4 Germanium Tetrachloride gecl4  
863 CCl3I trichloroiodomethane ccl3i  
864 CFClBrI fluorochlorobromoiodomethane cfclbri  
865 CF2I2 difluorodiiodomethane cf2i2  
866 CCl2I2 dichlorodiiodomethane ccl2i2  
867 SiBr4 Silicon tetrabromide sibr4  
868 CBr3I tribromoiododmethane cbr3i  
869 GeBr4 Germanium tetrabromide gebr4  
870 CI4 tetraiodomethane ci4  
871 SiI4 silicon tetraiodide sii4  
872 SCl4 Sulfur tetrachloride scl4  
873 C2HF3 Trifluoroethylene c2hf3  
874 C2HF3+ Trifluoroethylene cation c2hf3+  
875 CHClCCl2 Trichloroethylene chclccl2  
876 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
877 HClO4 perchloric acid hclo4  
878 HSO3F Fluorosulfonic acid hso3f  
879 CHClCCHCl 1,3-dichloroallene chclcchcl  
880 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
881 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
882 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
883 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
884 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
885 NH3BCl3 Amminetrichloroboron nh3bcl3  
886 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
887 C3H5ClO Oxirane, (chloromethyl)- c106898  
888 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
889 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
890 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
891 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
892 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
893 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
894 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
895 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
896 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
897 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
898 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
899 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
900 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
901 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
902 C4H9F 1-fluorobutane butaf1  
903 CH3CHFCH2CH3 2-fluorobutane butaf2  
904 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
905 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
906 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
907 XeF4 Xenon tetrafluoride xef4  
908 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
909 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
910 C6H4 Benzyne benzyne  
911 C6H5 phenyl phenyl  
912 C6H6 2,4-Hexadiyne hexadiyne  
913 C6H6 3,4-Dimethylenecyclobutene cb34m  
914 C6H6 Benzene benzene  
915 C6H6+ Benzene cation c6h6+  
916 C6H8 (E)-hexa-1,3,5-triene c821078  
917 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
918 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
919 C6H8 1,3-Cyclohexadiene cyhexadiene13  
920 C6H8 1,4-Cyclohexadiene cyhexadiene14  
921 C6H8 3-Methylenecyclopentene c930267  
922 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
923 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
924 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
925 C6H10 1,3-Hexadiene, (E)- hexdi13e  
926 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
927 C6H10 1,4-Hexadiene, (E)- hexdi14t  
928 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
929 C6H10 1-Butyne, 3,3-dimethyl- c917920  
930 C6H10 1-Hexyne hexyne1  
931 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
932 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
933 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
934 C6H10 2-Hexyne c764352  
935 C6H10 cyclohexene cyclohexene  
936 C6H10 Cyclopentene, 1-methyl- c693890  
937 C6H10 Cyclopentene, 3-methyl- c1120623  
938 C6H10 Cyclopentene, 4-methyl- c1759815  
939 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
940 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
941 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
942 C6H12 (E)-2-Hexene e2hexene  
943 C6H12 (E)-3-methylpent-2-ene c616126  
944 C6H12 (Z)-3-methylpent-2-ene c922623  
945 C6H12 (Z)-hex-2-ene z2hexene  
946 C6H12 2,3-dimethyl-but-2-ene tmeet  
947 C6H12 3-methylenepentane c760214  
948 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
949 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
950 C6H12 Cyclohexane cyclohexane  
951 C6H12 Cyclopentane, methyl- c96377  
952 C6H12 Ethylcyclobutane c4806615  
953 C6H14 Butane, 2,2-dimethyl- buta22  
954 C6H14 Butane, 2,3-dimethyl- buta23  
955 C6H14 Hexane hexane  
956 C6H14 Pentane, 2-methyl- penta2  
957 C6H14 Pentane, 3-methyl- penta3  
958 C4N2 2-Butynedinitrile c4n2  
959 C2H2N4 sym-tetrazine ttz  
960 C3H3N3 1,3,5-Triazine triazine135  
961 CH3N5 5-Aminotetrazole c4418615  
962 C4H4N2 1,3-Diazine diazine13  
963 C4H4N2 Pyrazine pyrazine  
964 C4H4N2 Pyridazine pyridazine  
965 C4H4N2 Succinonitrile c110612  
966 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
967 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
968 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
969 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
970 C5H5N E-2,4-pentadienenitrile bdcn  
971 C5H5N Pyridine pyridine  
972 B3N3H6 borazine borazine  
973 C6H6 Fulvene fulvene  
974 C4H6N2 1H-Imidazole, 2-methyl- c693981  
975 C5H7N (E)-2-Pentenenitrile c26294984  
976 C5H7N (E)-3-Pentenenitrile c16529661  
977 C5H7N (Z)-2-Pentenenitrile c25899507  
978 C5H7N 1H-Pyrrole, 1-methyl- c96548  
979 C5H7N Cyclobutanecarbonitrile c4426113  
980 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
981 C5H9N Butanenitrile, 2-methyl- c18936179  
982 C5H9N Pentanenitrile c110598  
983 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
984 C6H10 Bicyclo[3.1.0]hexane c285585  
985 C5H11N Cyclopentanamine cypentam  
986 C5H11N Piperidine piper  
987 C4H12N2 1,2-Butanediamine c4426486  
988 C4H12N2 2-Methyl-1,2-propanediamine c811938  
989 Li2CO3 Lithium Carbonate li2co3  
990 C2O4-- oxalate anion c2o4  
991 N2O4 Dinitrogen tetroxide n2o4  
992 C2H3NO3 Oxamic acid oxamic  
993 C4H4O2 2(5H)-Furanone furanone  
994 C4H4O2 2-Oxetanone, 4-methylene- c674828  
995 C2H4N2O2 Oxalamide oxalamide  
996 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
997 C3H4S3 1,3-Dithiolane-2-thione c822388  
998 C2H4O4 Formic acid dimer fadimer  
999 C4H5NO 3-Methylisoxazole isox3m  
1000 C4H5NO Isoxazole, 5-methyl- c5765446  
1001 C4H5NS 4-Methylthiazole c693958  
1002 C5H6O 2-methylfuran furan2m  
1003 C5H6O 3-Methylfuran furan3m  
1004 C5H6S Thiophene, 2-methyl- c554143  
1005 C5H6S Thiophene, 3-methyl- c616444  
1006 C4H6O2 2,3-Butanedione c431038  
1007 C4H6O2 2-Propenoic acid, methyl ester c96333  
1008 C4H6O2 Crotonic Acid crot  
1009 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1010 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1011 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1012 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1013 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1014 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1015 C4H6OS Vinyl sulfoxide c1115157  
1016 CH6N4S Carbonothioic dihydrazide thiacarb  
1017 C2H6N2O2 (E)-Azodioxymethane c37765154  
1018 C2H6N2O2 Dimethylnitroamine c4164287  
1019 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1020 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1021 C4H7NO 2-Pyrrolidinone c616455  
1022 C4H7NO Methacrylamide c79390  
1023 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1024 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1025 C3H7ONO Propyl nitrite prono  
1026 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1027 CH3CH(NH2)COOH Alanine alanine  
1028 CH3NHCH2COOH Sarcosine sarcosine  
1029 NH2CH2CH2COOH β–alanine betaalanine  
1030 NH2COOC2H5 Urethane urethane  
1031 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1032 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1033 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1034 NH2CONHC2H5 Urea, ethyl- c625525  
1035 C4H8O2 1,3-Dioxane dioxan13  
1036 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1037 C4H8O2 1,4-Dioxane dioxan14  
1038 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1039 C4H8OS s-Ethyl thioacetate c625605  
1040 C3H8O3 1,2,3-Propanetriol glycerin  
1041 C3H8O2S (Methylsulfonyl)ethane c594434  
1042 C4H9NO Butanamide c541355  
1043 C4H9NO Propanamide, 2-methyl- c563837  
1044 C5H10O 2-Butanone, 3-methyl- c563804  
1045 C5H10O 2H-Pyran, tetrahydro- c142687  
1046 C5H10O 2-Pentanone mpk  
1047 C5H10O Cyclopentanol c96413  
1048 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1049 C5H10O Pentanal pal  
1050 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1051 C5H10S 3-Ethylthio-1-propene c5296628  
1052 C5H10S Cyclopentanethiol c1679078  
1053 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1054 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1055 C4H10O2 1,1-Dimethoxyethane c534156  
1056 C4H10O2 1,3-Butanediol budiol13  
1057 C4H10O2 1,4-Butanediol budiol14  
1058 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1059 C4H10OS Diethyl sulfoxide c70291  
1060 C4H10S2 1,4-Butanedithiol budisl14  
1061 C4H11NO Diethylhydroxylamine c3710847  
1062 C5H12O 1-Butanol, 2-methyl- c137326  
1063 C5H12O 1-Butanol, 3-methyl- c123513  
1064 C5H12O 1-Pentanol pentanol1  
1065 C5H12O 2-Butanol, 3-methyl- c598754  
1066 C5H12O 2-Pentanol peol2  
1067 C5H12O 3-Pentanol pentan3ol  
1068 C5H12O Butane, 1-methoxy- meobu  
1069 C5H12O Propane, 1-ethoxy- proet  
1070 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1071 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1072 C5H12S 1-Butanethiol, 3-methyl- c541311  
1073 C5H12S 1-Pentanethiol c110667  
1074 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1075 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1076 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1077 C5H12S Butane, 1-(methylthio)- c628295  
1078 C5H12S Ethyl propyl sulfide c4110503  
1079 C5H12S Propane, 2-(ethylthio)- c5145993  
1080 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1081 CF3CN Acetonitrile, trifluoro- cf3cn  
1082 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1083 B2F4 Diboron tetrafluoride b2f4  
1084 B2Cl4 Diboron tetrachloride b2cl4  
1085 C2F4 Tetrafluoroethylene c2f4  
1086 C2F4+ Tetrafluoroethylene cation c2f4+  
1087 C2FCl3 fluorotrichloroethene c2fcl3  
1088 C2Cl4 Tetrachloroethylene c2cl4  
1089 PF5 Phosphorus pentafluoride pf5  
1090 AsF5 Arsenic pentafluoride asf5  
1091 PCl5 Phosphorus pentachloride pcl5  
1092 SbCl5 Antimony pentachloride sbcl5  
1093 BrF5 bromine pentafluoride brf5  
1094 ClF5 chlorinepentafluoride clf5  
1095 IF5 pentafluoroiodine if5  
1096 CF3CHO trifluoroacetaldehyde cf3cho  
1097 CCl3CHO trichloroacetaldehyde ccl3cho  
1098 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1099 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1100 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1101 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1102 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1103 C4H8Cl2 1,4-Dichlorobutane c110565  
1104 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1105 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1106 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1107 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1108 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1109 C5H11Cl Pentane, 1-chloro- pencl1  
1110 C4H8O2 Butanoic acid bua  
1111 C6H5CH2 benzyl radical benzyl  
1112 C6H5CH3 toluene toluene  
1113 C7H8 cycloheptatriene cht  
1114 C7H8 Norbornadiene norbor  
1115 C7H8 Quadricyclane qucy  
1116 C7H12 Norbornane nor  
1117 C7H16 2-methylhexane 2mhex  
1118 C7H16 3-methylhexane hex3m  
1119 C7H16 heptane heptane  
1120 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1121 C6H7N 2-Methylpyridine mp  
1122 C6H5NH2 aniline aniline  
1123 C6H13N 2-Methylpiperidine pip2m  
1124 C6H13N cyclohexanamine cham  
1125 N2O5 Dinitrogen pentoxide n2o5  
1126 C4H2O3 Maleic Anhydride malan  
1127 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1128 C5H4O2 furfural furfural  
1129 C6H5O phenoxy radical phenoxy  
1130 C5H5NO 2(1H)-Pyridinone c72762006  
1131 C5H5NO 2(3H)-Pyridinone c9000048  
1132 C5H5NO 2(5H)-Pyridinone c9000037  
1133 C5H5NO 2-Pyridinol c109104  
1134 C5H5NO 3(2H)-Pyridinone c9000004  
1135 C5H5NO 3(4H)-Pyridinone c9000026  
1136 C5H5NO 3(6H)-Pyridinone c9000015  
1137 C5H5NO 3-Pyridinol c109002  
1138 C5H5NO 4(1H)-Pryidinone c9000060  
1139 C5H5NO 4(3H)-Pryidinone c9000059  
1140 C5H5NO 4-Pyridinol c626642  
1141 C6H5OH phenol phenol  
1142 C6H6O 2,4-Cyclohexadienone c24599573  
1143 C6H5SH Benzenethiol phsh  
1144 HO2CCHNH2CH2OH Serine serine  
1145 C5H8O2 Acetylacetone acac  
1146 C4H8O2S Sulfolane sulfolane  
1147 CH(C2H3)3 trivinyl methane tvm  
1148 C6H10O cyclohexanone chexo  
1149 C6H12O hexanal c6h12o  
1150 C6H12O Oxepane oxepane  
1151 CF3COCl trifluoroacetyl chloride cf3cocl  
1152 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1153 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1154 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1155 CCl3CHCl2 pentachloroethane ccl3chcl2  
1156 C6H5F Fluorobenzene bzf  
1157 C6H5Cl chlorobenzene bzcl  
1158 C6H5Br bromobenzene bzbr  
1159 C6H5CCH phenylacetylene phac  
1160 C8H6 benzocyclobutadiene bcbd  
1161 C8H6 Pentalene pentalene  
1162 C6H5CHCH2 Styrene styrene  
1163 C8H8 cubane cubane  
1164 C8H8 cyclooctatetraene cot  
1165 C6H5CH2CH3 Ethylbenzene etbz  
1166 CH3C6H4CH3 meta-xylene mxylene  
1167 CH3C6H4CH3 paraxylene pxylene  
1168 C8H16 cyclooctane cyclooct  
1169 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1170 C8H18 Octane c8h18  
1171 C6H5CN phenyl cyanide phcn  
1172 C6H12N2 Triethylenediamine ted  
1173 C4O4-- squarate dianion c4o4--  
1174 S8 Octasulfur s8  
1175 C6H4O2 parabenzoquinone pbq  
1176 C4H4N2O2 Uracil uracil  
1177 C6H5CHO benzaldehyde benzal  
1178 C6H5OCH3 Anisole anisole  
1179 C5H9NO2 Proline proline  
1180 C6H12O2 Methyl pivalate c598981  
1181 C6H12O2 Hexanoic acid hexa  
1182 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1183 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1184 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1185 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1186 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1187 C2F6 hexafluoroethane c2f6  
1188 IF7 Iodine heptafluoride if7  
1189 C6H4F2 metadifluorobenzene mdfb  
1190 C6H4F2 orthodifluorobenzene odfb  
1191 C6H4F2 1,4-difluorobenzene pdfb  
1192 C6H4Cl2 1,2-dichlorobenzene dcb12  
1193 C6H4Cl2 1,3-dichlorobenzene dcb13  
1194 C9H8 Indene indene  
1195 C9H12 n-propyl benzene prbz  
1196 C5H4N4 purine purine  
1197 C8H7N Indole indole  
1198 C6H5NO2 Nitrobenzene c6h5no2  
1199 C6H5COOH benzoic acid benzo  
1200 CH3COC6H5 acetophenone acph  
1201 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1202 C8H18O 1-Octanol octanol  
1203 C10H8 naphthalene naph  
1204 C10H16 adamantane adamantane  
1205 C6N4 Tetracyanoethylene tcne  
1206 C6N4- tetracyanoethylene anion tcne-  
1207 C10H22 Decane decane  
1208 C4F6 perfluorobutadiene c4f6  
1209 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1210 C3F8 perfluoropropane c3f8  
1211 Fe(CO)5 Iron pentacarbonyl ipc  
1212 Fe(C5H5)2 ferrocene fecp2  
1213 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1214 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1215 C12H8 Acenaphthylene acenaph  
1216 C12H10 biphenyl biphenyl  
1217 C12H10 Heptalene heptalene  
1218 C6H12O6 Inositol inositol  
1219 C6F6 hexafluorobenzene c6f6  
1220 S2F10 disulphur decafluoride s2f10  
1221 C13H10 Fluorene fluorene  
1222 C14H10 Anthracene anth  
1223 C14H10 Phenanthrene phenanthrene  
1224 C14H14 Bibenzyl bibenzyl  
1225 C12H10N2 azobenzene azobenzene  
1226 C16H10 Pyrene pyrene  
1227 C18H12 Tetracene tetracene  
1228 C19H16 Triphenylmethane tpm  
1229 C24H12 Coronene coronene  
1230 C60 Buckminsterfullerene c60