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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 MP3=FULL /TZVP

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li- Lithium atom anion 1SKh
12 LiH+ lithium hydride cation 2ΣC∞v
13 KH Potassium hydride 1ΣC∞v
14 BeH beryllium monohydride 2ΣC∞v
15 MgH magnesium monohydride 2ΣC∞v
16 TiH Titanium monohydride 4ΦC∞v
17 ZnH+ Zinc, protonated   
18 BeH2+ Beryllium dihydride cation   
19 MgH2 magnesium dihydride 1ΣgD∞h
20 Al Aluminum atom 2PKh
21 Al- Aluminum atom anion 3PKh
22 Al+ Aluminum atom cation 1SKh
23 Sc Scandium atom 2DKh
24 Sc+ Scandium cation 3DKh
25 BH Boron monohydride 1ΣC∞v
26 BH Boron monohydride 3ΠC∞v
27 ScH Scandium monohydride 1ΣC∞v
28 ScH+ Scandium monohydride cation 2ΣC∞v
29 GaH+ Gallium monohydride cation 2ΣC∞v
30 BH2- boron dihydride anion 1A1C2v
31 BH3+ boron trihydride cation 2B2C2v
32 BH3+ boron trihydride cation  C2v
33 AlH3 aluminum trihydride 1A1'D3h
34 AlH3- aluminum trihydride anion  C3v
35 ScH3 Scandium trihydride 1A1'D3h
36 ScH3 Scandium trihydride 1A1C3v
37 BH4 borohydride 2B2C2v
38 BH4- borohydride anion 1A1Td
39 C Carbon atom 3P0Kh
40 C- Carbon atom anion 2DKh
41 Si- Silicon atom anion 4SKh
42 SiH Silylidyne 2ΠC∞v
43 SiH+ silicon monohydride cation 1ΣC∞v
44 GeH germylidene 2ΠC∞v
45 GeH+ Germaniun monohyrdide cation 1ΣC∞v
46 CH2 Methylene 3B1C2v
47 CH2 Methylene 3ΣGD∞h
48 CH2 Methylene 1A1C2v
49 CH2- methylene anion 2B1C2v
50 CH2+ methylene cation 2A1C2v
51 CH2+ methylene cation 2ΠD∞h
52 SiH2 silicon dihydride 1A1C2v
53 SiH2 silicon dihydride 3B1C2v
54 GeH2 germylene 1A1C2v
55 CH3 Methyl radical 2A1D3h
56 CH3- methyl anion 1A1C3v
57 CH3+ methyl cation 1A1'D3h
58 SiH3 Silyl radical 2A1C3v
59 SiH3+ Silyl cation 1A1'D3h
60 CH4 Methane 1A1Td
61 CH4- Methane anion 2A1Td
62 SiH2D2 silane-d2   
63 SiH4 Silane 1A1Td
64 GeH4 Germane 1A1Td
65 SiH5+ Silane, protonated   
66 N Nitrogen atom 4SKh
67 P Phosphorus atom 4SKh
68 V Vanadium atom 4FKh
69 V+ Vanadium atom cation 5DKh
70 As Arsenic atomic 4SKh
71 As- Arsenic anion 3PKh
72 As+ Arsenic cation 3PKh
73 PH phosphorus monohydride 3Σ-C∞v
74 NH2 Amino radical 2B1C2v
75 NH2+ Amino cation 3B1C2v
76 NH2+ Amino cation 1A1C2v
77 NH3 Ammonia 1A1C3v
78 NH3- Ammonia anion 2A1C3v
79 NH3+ ammonia cation 2A2"D3h
80 PH3 Phosphine 1A1C3v
81 PH3+ Phosphine cation 2A1C3v
82 AsH3 Arsine 1A1C3v
83 NH4 Ammonium radical   
84 NH4+ ammonium cation 1A1Td
85 PH4 Phosphoranyl radical   
86 PH4+ phosphonium cation   
87 O Oxygen atom 3SKh
88 S Sulfur atom 3PKh
89 S Sulfur atom   
90 S- Sulfur atom anion 2PKh
91 S+ Sulfur atom cation 4SKh
92 Se Selenium atom 3PKh
93 Se- Selenium atom anion 2PKh
94 Se+ Selenium atom cation 4SKh
95 OH Hydroxyl radical 2ΠC∞v
96 OH- hydroxide anion 1ΣC∞v
97 OH+ hydoxyl cation 3ΣC∞v
98 HS Mercapto radical 2ΠC∞v
99 HS- mercapto anion 1ΣC∞v
100 HS+ sulfur monohydride cation 3ΣC∞v
101 CrH Chromium hydride 6ΣC∞v
102 CrH+ Chromium hydride cation 5ΣC∞v
103 HSe Selenium monohydride 2ΠC∞v
104 HSe- selenium monohydride anion 1ΣC∞v
105 HSe+ selenium monohydride cation 3ΣC∞v
106 H2O Water 1A1C2v
107 H2O- water anion 2A1C2v
108 H2O- water anion 2A'Cs
109 H2O+ water cation 2B1C2v
110 HDO Water-d1 1A1C2v
111 H2S Hydrogen sulfide 1A1C2v
112 H2S+ Hydrogen sulfide cation 2B1C2v
113 H2Se Hydrogen selenide 1A1C2v
114 H2Se+ Hydrogen selenide cation 2B1C2v
115 H3O+ hydronium cation 1A1C3v
116 H3S+ Sulfonium cation 1A1C3v
117 H3Se+ Hydrogen Selenide, protonated 1A1C3v
118 F Fluorine atom 2PKh
119 F- Fluorine atom anion 1SKh
120 F+ Fluorine atom cation 3SKh
121 F+ Fluorine atom cation 1DKh
122 Cl Chlorine atom 2PKh
123 Cl- Chlorine atom anion 1SKh
124 Cl+ Chlorine atom cation 3PKh
125 Cl+ Chlorine atom cation 1DKh
126 Br Bromine atom 2PKh
127 Br- Bromine atom anion 1SKh
128 Br+ Bromine atom cation 3PKh
129 HF Hydrogen fluoride 1ΣC∞v
130 HCl+ hydrogen chloride cation 2ΠC∞v
131 HBr hydrogen bromide 1ΣC∞v
132 HBr- hydrogen bromide anion 2ΣC∞v
133 HBr+ hydrogen bromide cation 2ΠC∞v
134 H2Cl+ dihydrogen monochloride cation 1A1C2v
135 H2Br+ protonated hydrogen bromide 2A1C2v
136 Ne Neon atom 1SKh
137 Ne Neon atom   
138 Kr Krypton atom 1SKh
139 Kr+ Krypton cation 2PKh
140 HeLi+ Helium Lithium cation   
141 NeH neon hydrogen 2ΣC∞v
142 ArH+ Argon hydride cation 1ΣC∞v
143 KrH+ Protonated Krypton 1ΣC∞v
144 H2Ar H2 Ar dimer 1ΣC∞v
145 Na2- sodium diatomic anion 2ΣuD∞h
146 Na2+ sodium diatomic cation 2ΣgD∞h
147 NaK+ Sodium Potassium diatomic cation 1
148 Be2 Beryllium diatomic 1ΣgD∞h
149 Be2 Beryllium diatomic 3ΠgD∞h
150 BeMg Beryllium Magnesium 1ΣC∞v
151 Mg2 Magnesium diatomic 1ΣgD∞h
152 Ca2 Calcium diatomic 1ΣGD∞h
153 LiB Lithium boride 3ΠC∞v
154 LiAl Lithium Aluminum   
155 NaAl Sodium aluminum 1ΣC∞v
156 BeB Beryllium monoboride 2ΠC∞v
157 B2 Boron diatomic 3ΣgD∞h
158 B2 Boron diatomic 1ΣgD∞h
159 B2 Boron diatomic 5ΣuD∞h
160 B2+ Boron diatomic cation 2ΠD∞h
161 BAl Boron Aluminum 3ΣC∞v
162 BGa Boron Gallium 3ΣC∞v
163 AlGa Aluminum Gallium 3ΣC∞v
164 AlGa Aluminum Gallium 1ΣC∞v
165 Ga2 Gallium diatomic 3Piu 
166 HBBH Diborane(2) 3ΣGD∞h
167 B2H4 Diborane(4) D2d 1A1D2d
168 HBHHBH Diborane(4) C2V 1A1C2v
169 B2H6 Diborane 1AgD2h
170 B2H6+ Diborane cation   
171 Ga2H6 digallane 1AGD2h
172 BeC Beryllium Carbide 3Σ-C∞v
173 BeC Beryllium Carbide   
174 CaC Calcium monocarbide   
175 AlC Aluminum carbide 4ΣC∞v
176 BSi Boron silicide 4ΣC∞v
177 BSi Boron silicide 2ΣC∞v
178 C2 Carbon diatomic 1Σg+D∞h
179 C2 Carbon diatomic 3Σg- 
180 C2+ carbon diatomic cation 4ΣgD∞h
181 SiC silicon monocarbide 3ΣC∞v
182 SiC silicon monocarbide 1ΣC∞v
183 SiGe Silicon Germanium   
184 C2H Ethynyl radical 2ΣC∞v
185 C2H- Ethynyl anion 1ΣC∞v
186 C2H2+ acetylene cation 2ΠuD∞h
187 C2H2+ acetylene cation   
188 H2CC- vinylidene anion   
189 HCCH- acetylene anion   
190 HCCH- acetylene anion   
191 CH3Li methyl lithium 1A1C3v
192 CH2BH methyleneborane 1A1C2v
193 C2H3 vinyl 2A'Cs
194 C2H3- vinyl anion 1A'Cs
195 C2H3+ vinyl cation 1A1C2V bridging H
196 C2H3+ vinyl cation 1A1C2V HCCH2
197 C2H4- Ethylene anion 2AgC2h
198 C2H4+ Ethylene cation 2B3D2
199 Si2H4 Disilene   
200 CH3BH2 methylborane 1A'Cs
201 C2H5 Ethyl radical 2A'Cs
202 C2H6 Ethane 1A1gD3d
203 Si2H6 disilane 1EuD3d
204 LiP Lithium monophosphide   
205 LiP Lithium monophosphide   
206 BeN+ Beryllium mononitride cation 3ΣC∞v
207 BeN+ Beryllium mononitride cation 1ΣC∞v
208 MgN Magnesium Nitride   
209 MgN Magnesium Nitride   
210 BP Boron monophosphide 3ΠC∞v
211 BP Boron monophosphide 1ΣC∞v
212 AlP Aluminum monophosphide 3ΣC∞v
213 AlP Aluminum monophosphide 3ΠC∞v
214 AlP Aluminum monophosphide 1ΣC∞v
215 GaP Gallium monophosphide 3ΣC∞v
216 GaP Gallium monophosphide 1ΣC∞v
217 GaAs Gallium arsenide 3Π 
218 GaAs Gallium arsenide 1Σ 
219 BN boron nitride 3ΠC∞v
220 BN boron nitride 1ΣC∞v
221 CN Cyano radical 2ΣC∞v
222 CN- cyanide anion 1ΣC∞v
223 SiP Silicon monophosphide 2ΠC∞v
224 N2 Nitrogen diatomic 1ΣgD∞h
225 N2- nitrogen diatomic anion 2ΠgD∞h
226 N2+ diatomic nitrogen cation 2ΣgD∞h
227 P2 Phosphorus diatomic 1ΣgD∞h
228 HCN Hydrogen cyanide 1ΣC∞v
229 HCN+ hydrogen cyanide cation 2ΠC∞v
230 HNC+ hydrogen isocyanide cation   
231 NNH+ Dinitrogen monohydride cation 1ΣC∞v
232 LiNH2 lithium amide   
233 HBNH Boranimine 1ΣC∞v
234 N2H2 (E)-diazene 1AgC2h
235 N2H2 (Z)-Diazene 1A1C2v
236 N2H2+ trans-diazene cation 2AGC2h
237 CH2NH Methanimine 1A'Cs
238 CH2NH+ Methanimine cation   
239 CHNH2 aminomethylene   
240 CHNH2+ Aminocarbene cation   
241 BH2NH2 Boranamine   
242 CH2NH2+ methyleneamine cation 1A1C2v
243 N2H4 Hydrazine 1AC2
244 N2H4+ hydrazine cation 2AGC2h
245 CH3NH2 methyl amine 1A'Cs
246 CH3NH2+ methyl amine cation 2A'Cs
247 SiH3NH2 Silane, amino   
248 N2H5+ protonated hydrazine 1A'Cs
249 BH3PH3 borane phosphine   
250 BH3NH3 borane ammonia 1A1C3v
251 CH3NH3 methyl ammonium radical 2A1C3v
252 CH3PH3+ methyl phosphine, protonated 1A1C3v
253 NH3NH3 Ammonia Dimer 1AgC2h
254 NH3NH3 Ammonia Dimer 1A'Cs
255 N2H7+ ammonia ammonium dimer   
256 LiO lithium oxide 2ΣC∞v
257 LiS Lithium monosulfide 2ΠC∞v
258 LiS+ Lithium sulfide cation 3ΣC∞v
259 NaO sodium monoxide 2ΣC∞v
260 KO Potassium monoxide 2ΣC∞v
261 KO+ Potassium monoxide cation 3ΣC∞v
262 NaS Sodium sulfide 2ΠC∞v
263 CaO Calcium monoxide 1ΣC∞v
264 CaS Calcium sulfide 1ΣC∞v
265 BO boron monoxide 2ΣC∞v
266 ScO Scandium monoxide 2ΣC∞v
267 CO Carbon monoxide 1ΣC∞v
268 CO- carbon monoxide anion 2ΠC∞v
269 CO+ carbon monoxide cation 2ΣC∞v
270 TiO Titanium monoxide 3ΔC∞v
271 GeO Germanium monoxide 1ΣC∞v
272 GeO+ Germanium monoxide cation 2ΣC∞v
273 GeS Germanium monosulfide 1ΣC∞v
274 SiSe Silicon Monoselenide   
275 SiSe+ Silicon Monoselenide cation   
276 NO Nitric oxide 2ΠC∞v
277 NO- nitric oxide anion 3ΣC∞v
278 NO+ nitric oxide cation 1ΣC∞v
279 NS Mononitrogen monosulfide 2ΠC∞v
280 PO Phosphorus monoxide 2ΠC∞v
281 PS phosphorus sulfide 2ΣC∞v
282 VO Vanadium monoxide 4Σ- 
283 NSe Nitrogen monoselenide 2ΠC∞v
284 AsS Arsenic monosulfide 2ΠC∞v
285 PSe Phosphorus monoselenide 2ΠC∞v
286 AsSe Arsenic monoselenide 2ΠC∞v
287 O2 Oxygen diatomic 3ΣgD∞h
288 O2- oxygen diatomic anion 2ΠD∞h
289 O2+ diatomic oxygen cation 2ΠgD∞h
290 SO Sulfur monoxide 3ΣC∞v
291 SO+ sulfur monoxide cation 2ΠC∞v
292 S2 Sulfur diatomic 3ΣgD∞h
293 SeO Selenium monoxide 3ΣC∞v
294 LiOH lithium hydroxide 1ΣC∞v
295 KOH Potassium hydroxide 1ΣC∞v
296 BeOH beryllium monohydroxide 2A'Cs
297 BeOH beryllium monohydroxide 2ΣC∞v
298 HBO Boron hydride oxide 1ΣC∞v
299 COH Hydroxymethylidyne   
300 COH+ Carbon Monoxide, protonated 1ΣC∞v
301 HCO- formyl anion 1A'Cs
302 HNO+ Nitrosyl hydride cation 2A'Cs
303 NOH Hydroxyimidogen 3A"Cs
304 NOH+ O-protonated nitric oxide 2A'Cs
305 HO2 Hydroperoxy radical 2A"Cs
306 HO2+ Hydroperoxy cation 3A"Cs
307 HSO+ Sulfur Monoxide, S-protonated   
308 SOH Sulfur Hydroxide   
309 SOH+ Sulfur Monoxide, protonated   
310 H2CO Formaldehyde 1A1C2v
311 H2CO- formaldehyde anion 2A'Cs
312 H2CO- formaldehyde anion   
313 H2CO+ formaldehyde cation 2B2C2v
314 H2CS Thioformaldehyde 1A1C2v
315 H2CS- thioformaldehyde anion   
316 H2CS- thioformaldehyde anion   
317 H2CS+ thioformaldehyde cation 2B2C2v
318 H2NO nitroxide 2B1C2v
319 H2NO nitroxide 2A'Cs
320 H2O2 Hydrogen peroxide 1AC2
321 H2O2 Hydrogen peroxide 1AgC2h
322 H2OO water oxide   
323 HOSH hydrogen thioperoxide   
324 H2S2 Disulfane 1AC2
325 H2S2+ hydrogen disulfide cation 2BgC2h
326 CH2OH Hydroxymethyl radical 2AC1
327 CH2OH+ hydroxymethyl cation 1A'Cs
328 CH3O- methoxy anion 1A1C3v
329 CH3O+ Methoxy cation 3A1C3v
330 H2CSH+ Thioformaldehyde, protonated 1A'Cs
331 NH2OH hydroxylamine 1A'Cs
332 NH2OH+ Hydroxylamine cation   
333 H2POH Phosphinous acid 1A1'CS trans
334 H2POH Phosphinous acid 1A1'CS cis
335 H3PO Phosphine oxide 1A1C3v
336 NH2SH Thiohydroxylamine   
337 NH2SH Thiohydroxylamine   
338 NH3S sulfidoazane   
339 CH3OH Methyl alcohol 1A'Cs
340 CH3OH- Methyl alcohol anion 2A'Cs
341 CH3OH- Methyl alcohol anion 2A'CS eclipsed
342 CH3SH Methanethiol 1A'Cs
343 CH3SH+ Methanethiol cation 2A"Cs
344 SiH3OH silanol   
345 NH2OH2+ protonated hydroxylamine   
346 NH3OH+ N-protonated hydroxylamine   
347 H2OH2O water dimer 1A'Cs
348 CH3SH2+ protonated methylsulfide 1A'Cs
349 H5O2+ Dihydroxonium ion 1AC2
350 LiF lithium fluoride 1ΣC∞v
351 LiCl lithium chloride 1ΣC∞v
352 NaF sodium fluoride 1ΣC∞v
353 NaF+ sodium fluoride cation 2ΣC∞v
354 NaCl Sodium Chloride 1ΣC∞v
355 LiBr Lithium Bromide 1ΣC∞v
356 LiF+ lithium fluoride cation 2ΠC∞v
357 MgF+ magnesium fluoride cation 1ΣC∞v
358 TiCl Titanium Monochloride 4ΣC∞v
359 ZnF Zinc monofluoride 2ΣC∞v
360 CaBr Calcium monobromide   
361 AlCl Aluminum monochloride 1ΣC∞v
362 ScF Scandium monofluoride 1ΣC∞v
363 GaF+ Gallium monofluoride cation 2ΣC∞v
364 AlBr Aluminum monobromide   
365 GaCl+ Gallium monochloride cation 2ΣC∞v
366 CF Fluoromethylidyne 2ΠC∞v
367 SiF silicon monofluoride 2ΠC∞v
368 SiF+ silicon monofluoride cation 1ΣC∞v
369 CBr Carbon monobromide 2ΠC∞v
370 GeF+ Germanium monofluoride cation 1ΣC∞v
371 GeCl+ Germanium monochloride cation   
372 SiBr Silicon monobromide 2ΠC∞v
373 SiBr+ Silicon monobromide cation   
374 NCl nitrogen monochloride 3ΣC∞v
375 AsF Arsenic monofluoride 3ΣC∞v
376 AsCl Arsenic monochloride 3ΣC∞v
377 PBr Phosphorus monobromide   
378 FO Oxygen monofluoride 2ΠC∞v
379 SF Monosulfur monofluoride 2ΠC∞v
380 SCl sulfur monochloride 2ΠC∞v
381 BrO Bromine monoxide 2ΠC∞v
382 SeF Selenium monofluoride 2ΠC∞v
383 SeCl Selenium monochloride 2ΠC∞v
384 BrCl Bromine monochloride 1ΣC∞v
385 F2 Fluorine diatomic 1ΣgD∞h
386 F2- flourine diatomic anion 2ΣuD∞h
387 F2+ flourine diatomic cation 2ΠgD∞h
388 ClF Chlorine monofluoride 1Σ+C∞v
389 ClF+ clorine monofluoride cation 2ΠC∞v
390 Cl2 Chlorine diatomic 1ΣgD∞h
391 Cl2- chlorine diatomic anion 2ΣuD∞h
392 Cl2+ chlorine diatomic cation 2ΠgD∞h
393 BrF Bromine monofluoride 1ΣC∞v
394 Br2 Bromine diatomic 1ΣgD∞h
395 Br2- bromine diatomic anion 2ΣuD∞h
396 Br2+ bromine diatomic cation 2ΠgD∞h
397 HCF Fluoromethylene 1A'Cs
398 HCF Fluoromethylene 3A"Cs
399 HOCl hypochlorous acid 1A'Cs
400 HOCl+ hypochlorous acid cation   
401 F2H+ Fluorine, protonated 1A'Cs
402 ClFH+ Chlorine fluoride, F-protonated   
403 FClH+ Chlorine fluoride, Cl-protonated   
404 Cl2H+ Chlorine, protonated 1A'Cs
405 CH2Br bromomethyl radical   
406 CH2F fluoromethyl radical 2ACs
407 CH2F+ fluoromethyl cation   
408 CH2Cl+ chloromethyl cation   
409 CH2Cl chloromethyl radical 2A'Cs
410 CH2Cl chloromethyl radical 2B1C2v
411 NH2Cl chloramine 1A'Cs
412 CH3F+ methyl fluoride cation   
413 CH3F Methyl fluoride 1A1C3v
414 CH3Cl Methyl chloride 1A1C3v
415 SiH3Cl chlorosilane 1A1C1
416 CH3Br methyl bromide 1A1C3v
417 SiH3Br bromosilane 1A1C3v
418 CH3ClH+ methyl chloride, protonated   
419 NH4Cl Ammonium chloride   
420 LiNe+ Lithium Neon cation   
421 Ne2+ Neon diatomic cation 2ΣuD∞h
422 Ar2 Argon diatomic 1SgD∞h
423 Ar2+ Argon diatomic cation 2ΣuD∞h
424 Li3 Lithium trimer 2B2C2v
425 Li3+ Lithium trimer cation 1A1'D3h
426 C3 carbon trimer 1ΣgD∞h
427 C3 carbon trimer 1A1C2v
428 C3H3 cyclopropenyl radical 2A'Cs
429 C3H4 cyclopropene 1A1C2v
430 CH3CCH propyne 1A'C3v
431 C3H5 Allyl radical 2A"Cs
432 CH2CHCH3 Propene 1A'Cs
433 C3H7 n-Propyl radical 2A"C1
434 C3H7+ cyclopropane, protonated   
435 CH3CHCH3+ Isopropyl cation 1AC2
436 C3H8 Propane 1A1C2v
437 Si3H8 trisilane   
438 LiCN lithium cyanide 1ΣC*V LiCN
439 LiCN lithium cyanide 1A'Cs
440 LiCN lithium cyanide 1ΣC*V LiNC
441 NaCN Sodium Cyanide 1ΣC∞v
442 NaCN Sodium Cyanide 1ACs
443 NaCN Sodium Cyanide 1ΣC∞v
444 KCN Potassium cyanide 1ΣC∞v
445 KCN Potassium cyanide 1ΣC∞v
446 KCN Potassium cyanide 1A'Cs
447 ZnCN Zinc monocyanide 2ΣC∞v
448 ZnNC Zinc isocyanide 2ΣC∞v
449 CN2 3H-Diazirin-3-ylidene 1A1C2v
450 NCN Cyanoimidogen 3ΣgD∞h
451 NCN Cyanoimidogen 1ΣgD∞h
452 N3 azide radical 2ΠgD∞h
453 N3+ azide cation 3ΣgD∞h
454 N3+ azide cation 3ΣC∞v
455 HCCN cyanomethylene 3A"Cs
456 HCCN cyanomethylene 3ΣC∞v
457 HCCN cyanomethylene   
458 HN3+ Hydrazoic acid cation   
459 HNCNH diiminomethane 1AC2
460 NH2CN cyanamide 1A1C2v
461 HNNNH+ 1,2-Triazadienium   
462 NH2NN+ hydrazoic acid, protonated   
463 CH3CN Acetonitrile 1A1C3v
464 CH3CN- acetonitrile anion 2EC3v
465 CHNCH2 2H-Azirine   
466 CHNHCH 1H-Azirine   
467 H2CCNH Ethenimine   
468 H2CNCH methyleneaminomethylene   
469 HCCNH2 Ethynamine   
470 HCNCH2+ 2H-Azirine cation   
471 HNCNH2+ diiminomethane, protonated 1A'Cs
472 NCNH3+ Cyanamide, protonated 1A1C3v
473 NH2CNH+ cyanamide, cn protonated   
474 NH3CN+ cyanamide, amine protonated   
475 CH2CHNH vinylazine 2A"CS cis
476 CH2CHNH vinylazine 2A"CS trans
477 C2H5NH+ Protonated Aziridine 1A1C2v
478 C2H6N+ aziridine, protonated 1A1C2v
479 CH3CH2NH2 Ethylamine   
480 CH3PHCH3 dimethylphosphine 1A'Cs
481 (CH3)2NH2+ dimethylammonium cation 1A1C2v
482 CH3CH2NH3+ ethylamine, protonated 1A'Cs
483 Li2O dilithium oxide 1ΣgD∞h
484 Li2S dilithium sulfide 1ΣGD∞h
485 Li2S dilithium sulfide 1A1C2v
486 Na2O disodium monoxide 1ΣgLinear
487 Na2O disodium monoxide 1A1C2v
488 Na2S Sodium sulfide   
489 Na2S Sodium sulfide   
490 NaO2 Sodium superoxide   
491 CCO Dicarbon monoxide 3ΣC∞v
492 CCO Dicarbon monoxide 1ΠC∞v
493 NCO isocyanato radical 2ΠC∞v
494 N2O Nitrous oxide 1ΣC∞v
495 N2O- Nitrous oxide anion 2A'Cs
496 OCS Carbonyl sulfide 1ΣC∞v
497 CS2 Carbon disulfide 1ΣgD∞h
498 TiO2 Titanium dioxide 1A1C2v
499 SiS2 Silicon disulfide 1ΣGD∞h
500 OCSe Carbonyl selenide 1ΣC∞v
501 SCSe Carbon sulfide selenide   
502 CSe2 Carbon diselenide 1A1D∞h
503 NO2 Nitrogen dioxide 2A1C2v
504 NO2+ Nitrogen dioxide cation 1ΣGD∞h
505 NSO sulfinyl amidogen   
506 SNO Nitrogen oxide sulfide   
507 O3 Ozone 1A1Cs
508 S3 Sulfur trimer 1A1C2v
509 S3 Sulfur trimer   
510 S3+ Sulfur trimer cation 2B2C2v
511 SeO2 Selenium dioxide 1A1C2v
512 SeO2+ Selenium dioxide cation 2A1C2v
513 HCCO ketenyl radical 2ΠC∞v
514 HCCO ketenyl radical 2A"Cs
515 HCNO fulminic acid 1ΣC∞v
516 HCNO fulminic acid 1A'Cs
517 HNCS Isothiocyanic acid   
518 HSCN thiocyanic acid 1A'Cs
519 HNNO+ Nitrous oxide, N-protonated 1A'Cs
520 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
521 HOCO Hydrocarboxyl radical 1A'cis
522 HOCO Hydrocarboxyl radical 1A'trans
523 O3H+ protonated ozone 1A'Cs
524 O3H+ protonated ozone   
525 SO2H+ protonated sulfur dioxide 1A'Cs
526 C2H2O Oxirene 1A1C2v
527 CH2CO Ketene 1A1C2v
528 CH2CS Thioketene   
529 Be(OH)2 Beryllium hydroxide   
530 Be(OH)2 Beryllium hydroxide   
531 NH2NO Nitrosamide 1AC1
532 H2COO Dioxymethyl radical 2A'Cs
533 H2COO+ dioxymethyl cation 2A'Cs
534 HCOOH Formic acid 1A'Cs
535 HCOOH Formic acid   
536 HSSSH trisulfane 1A'Cs
537 CH2BOH hydroxy(methylene)borane 1A'Cs
538 BH3CO Borane carbonyl 1A1C3v
539 CH3BO Borane, methyloxo- 1A1C3v
540 CH2COH+ ketene, protonated   
541 CH2NOH formaldoxime 1A'Cs
542 CH3NO nitrosomethane 1A'Cs
543 CNOH3 1,2-oxaziridine 1AC1
544 HOCHNH hydroxymethylimine 1A'CS H all up
545 HOCHNH hydroxymethylimine 1A'CS CH up
546 CHSNH2 thioformamide   
547 NHCHSH Methanimidothioic acid   
548 C2H4O Ethylene oxide 1A1C2v
549 C2H4O+ ethylene oxide cation   
550 CH3CHO Acetaldehyde 1A'Cs
551 CH3CHO+ acetaldehyde cation   
552 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
553 C2H4S Thiirane 1A1C2v
554 CH2CHSH Ethenethiol   
555 CH3CHS Thioacetaldehyde 1A'C1
556 NH2CHOH+ Formamide, O-protonated   
557 CH3SSH Hydrogen methyl disulfide   
558 HSCH2SH Methanedithiol   
559 C2H4OH+ ethylene oxide, protonated 1A'Cs
560 CH3CHOH 1-hydroxy-ethyl radical 2AC1
561 CH3CHOH+ acetaldehyde, protonated 1A'Cs
562 NH2CH2OH aminomethanol   
563 CH3CH2SH ethanethiol 1A'Cs
564 CH3CH2SH ethanethiol 1AC1
565 CH3SCH3 Dimethyl sulfide 1A1C2v
566 CH3SCH3+ dimethyl sulfide cation   
567 CH3SeCH3 dimethylselenide 1A1C2v
568 CuF2 Copper difluoride 2ΠgD∞h
569 CNF iso cyanogen fluoride 1ΣC∞v
570 BrCN Cyanogen bromide 1ΣC∞v
571 CaBr2 Calcium dibromide   
572 FCO Carbonyl fluoride 2A'Cs
573 FCO+ Carbonyl fluoride cation 1ΣC∞v
574 ClCO carbonyl monochloride 2A'Cs
575 BF2 Boron difluoride radical 2A1C2v
576 FNS Thionitrosyl fluoride 1A'Cs
577 FSN Thiazyl fluoride 1A'Cs
578 OPCl Phosphorus oxychloride   
579 CF2 Difluoromethylene 1A1D∞h
580 CFCl chlorofluoromethylene 1A'Cs
581 SiF2+ Silicon difluoride cation 2A1C2v
582 CBr2 dibromomethylene 1A1C2v
583 CBr2 dibromomethylene 3B1C2v
584 OClO- Chlorine dioxide anion 1A'Cs
585 ClSO Sulfur chloride oxide 2A"Cs
586 BrOO Bromine dioxide   
587 OBrO Bromine dioxide radical 2B1C2v
588 PF2 Phosphorus difluoride   
589 FClO chlorosyl fluoride 1A'Cs
590 ClOF Chlorine hypofluorite 1A'Cs
591 SF2 sulfur difluoride 1A1C2v
592 SCl2 Sulfur dichloride 1A1C2v
593 SFCl Sulfur chloride fluoride   
594 HCCCl Chloroacetylene 1ΣC∞v
595 HCCBr bromoacetylene 1ΣC∞v
596 HFCO+ formyl fluoride cation 2A'Cs
597 CHCl2 dichloromethyl radical 2B1C2v
598 CHCl2 dichloromethyl radical 2A'Cs
599 CHF2+ difluoromethyl cation   
600 CHFCl Chlorofluoromethyl radical   
601 CHFCl+ Chlorofluoromethyl cation   
602 CHCl2+ dichloromethyl cation   
603 CHBr2 dibromomethyl radical   
604 NHF2 difluoramine   
605 NHCl2 dichloroamine   
606 SiH2F2 difluorosilane   
607 CH2Cl2 Methylene chloride 1A1C2v
608 CH2BrF Methane, bromofluoro- 1A'Cs
609 CH2BrCl Methane, bromochloro- 1A'Cs
610 SiH2Cl2 dichlorosilane 1A1C2v
611 CH2FOH fluoromethanol   
612 CH2CH2Cl 2-chloroethyl radical 2A'Cs
613 CHClCH3 1-chloroethyl radical 2AC1
614 B4H10 Tetraborane(10) 1A1C2v
615 C4 Carbon tetramer 3ΣgD∞h
616 C4 Carbon tetramer   
617 C4H2 Diacetylene 1ΣgD∞h
618 C4H2+ diacetlyene cation 2ΠgD∞h
619 C4H4 Tetrahedrane   
620 CHCCH2CH3 1-Butyne 1A'Cs
621 C4H8 methylcyclopropane 1A'Cs
622 CH2CHCH2CH3 1-Butene 1AC1
623 CH3CH2CH2CH3 Butane 1AgAnti
624 CH3CH2CH2CH3 Butane 1AGauche
625 Li3N trilithium nitride 1A'D3h
626 Li3N trilithium nitride 1A1C3v
627 C2N2 Cyanogen 1ΣgD∞h
628 As4 Arsenic tetramer 1A1Td
629 HCCCN+ Cyanoacetylene cation 2ΠC∞v
630 H2CNCN cyanamide, methylene   
631 HNCCNH Ethenediimine   
632 CH3N3 methyl azide 1A'Cs
633 NH2CCNH2 Diaminoacetylene 1AC2
634 NH2CH2CN Aminoacetonitrile 1A'Cs
635 CH3NHN2+ methyl azide, protonated 1AC1
636 C4H6 Bicyclo[1.1.0]butane 1A1C2v
637 H2NCHCHNH2 diaminoethylene   
638 CH7N3 triaminomethane   
639 C4H8 cyclobutane 1A1D2d
640 NH2CH2CH2CH3 1-Propanamine 1A'Cs
641 P(CH3)3 trimethylphosphine 1A1C3v
642 N(SiH3)3 trisilylamine   
643 (CH3)3NH+ protonated trimethyl amine   
644 C3H7NH3+ n-propylamine, protonated 1A'Cs
645 C3O Tricarbon monoxide 1ΣC∞v
646 ONNO NO dimer 1Agtrans C2H
647 ONNO NO dimer 1A1cis C2V
648 S2N2 Disulfur dinitride 1AGD2h
649 CO3 Carbon trioxide 1A1C2v
650 CS3-- Carbonotrithioate   
651 NO3- nitrate anion 1A1'D3h
652 SO3 Sulfur trioxide 1A1'D3h
653 S4 Sulfur tetramer   
654 S4 Sulfur tetramer   
655 S4 Sulfur tetramer   
656 NH2NO2 nitramide 1A'Cs
657 C3H2O Propadienal   
658 C3H2O Propadienal   
659 H2SO3 Sulfurous acid 1A'Cs
660 CH3NCO methylisocyante   
661 HOCH2CN cyanomethanol   
662 CH3NO2 Methane, nitro- 1A'Cs
663 NH2COOH Carbamic acid 1A'Cs
664 NH2COOH Carbamic acid 1AC1
665 H3AlO3 Aluminum hydroxide   
666 NH2CONH2 Urea 1AC2
667 NH2CONH2 Urea 1A'Cs
668 NH2CONH2 Urea 1A1C2v
669 NH2COOH2+ Carbamic acid, O-protonated 1AC1
670 NH3COOH+ protonated Carbamic acid 1A'Cs
671 CH3COCH2 Acetonyl radical 2A"Cs
672 CH2C(OH)NH2 1-amino vinyl alchohol   
673 CH3C(OH)=NH Ethaninidic acid   
674 CH3CHNOH Acetaldoxime 1A'CS cis
675 HCONHCH3 N-methylformamide 1A'CS cis
676 HCONHCH3 N-methylformamide 1A'CS trans
677 CH3CSNH2 Ethanethioamide   
678 CH5N2O+ urea, N-protonated 1A'Cs
679 H2NCOHNH2+ urea, protonated 1A'Cs
680 C3H5OH Cyclopropanol 1AC1
681 C3H6O 2-Propen-1-ol 1AC1
682 C3H6O Acetone enol 1A'Cs
683 C3H6O Oxetane 1A1C2v
684 C3H6O Oxetane 1A'Cs
685 CH3CH2CHO Propanal 1A'Cs
686 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
687 CH3OC2H5 Ethane, methoxy- 1A'Cs
688 Li2F2 Lithium fluoride dimer   
689 FNO2 Nitryl fluoride 1A1C2v
690 FONO Nitrosyl hypofluorite 1A'CS cis
691 ClONO chlorine nitrite 1A'CS cis
692 CF2O+ Carbonic difluoride cation   
693 BF3+ boron trifluoride cation 2B2C2v
694 BF3+ boron trifluoride cation   
695 ScF3 Scandium trifluoride 1A1'D3h
696 BCl3 Borane, trichloro- 1A1'D3h
697 CF3- Trifluoromethyl anion 1A1C3v
698 CF3+ Trifluoromethyl cation 1A1'D3h
699 CF2Cl difluorochloromethyl radical   
700 SiF3 Silicon trifluoride radical 2A1C3v
701 SiF3+ Silicon trifluoride cation 1A1'D3h
702 CFCl2 dichlorofluoromethyl radical   
703 CBr3 tribromomethyl radical   
704 ClO2F Chloryl fluoride 1A'Cs
705 ClOOCl Dichlorine dioxide 1AC2
706 SSCl2 Thiothionyl chloride   
707 NCl3 nitrogen trichloride 1A1C3v
708 AsCl3 Arsenous trichloride 1A1C3v
709 NBr3 Nitrogen Tribromide 1A1C3v
710 ClF3 Chlorine trifluoride 1A1'D3h
711 ClF3 Chlorine trifluoride 1A1C2v
712 HClO3 Chloric Acid 1A'Cs
713 HClO3 Chloric Acid 1AC1
714 SiHF3 trifluorosilane   
715 CHFClBr fluorochlorobromomethane 1AC1
716 CHBrCl2 Methane, bromodichloro- 1A'Cs
717 CHBr2F dibromofluoromethane   
718 NF3H+ protonated nitrogen trifluoride 1A1C3v
719 AsF3H+ Arsenic trifluoride, protonated   
720 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
721 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
722 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
723 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
724 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
725 C2H4F2 1,2-difluoroethane 1AgC2H anti
726 C2H4F2 1,2-difluoroethane 1AC2 gauche
727 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
728 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
729 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
730 CH2CHCH2F Allyl Fluoride   
731 CH3CHCHF trans-1-Fluoro-1-propene   
732 CH2ClCH2OH 2-Chloroethanol 1A'Cs
733 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
734 CH2FCH2CH3 1-Fluoropropane 1A'Cs
735 CH2FCH2CH3 1-Fluoropropane   
736 CH3CHFCH3 2-Fluoropropane 1A'Cs
737 B5H9 pentaborane9   
738 C5H4 pentatetraene   
739 C5H6 Propellane 1A1D3h
740 C5H8 Bicyclo[1.1.1]pentane   
741 C5H8 Ethenylcyclopropane 1A'Cs
742 CH2N4 1H-Tetrazole 1A'Cs
743 C3H3N2 imidazolyl radical 2B1C2v
744 C3H3N2- imidizolyl anion 1A1C2v
745 C4H4N pyrrolide radical 2A2C2v
746 C4H4N- pyrrolide anion 1A1C2v
747 C3H4N2 1H-Imidazole 1A'Cs
748 C3H4N2 2H-Imidazole 1A1C2v
749 C3H4N2 4H-Imidazole 1A'Cs
750 C4H5N Pyrrole 1A1C2v
751 C4H6N+ pyrrole, alpha-protonated 1A'Cs
752 C4H6N+ pyrrole, beta-protonated 1A'Cs
753 C4H6N+ pyrrole, protonated 1A1C2v
754 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
755 CH3CH2CH2CN Butanenitrile 1A'Cs
756 NH(C2H5)2 diethylamine 1A'Cs
757 C3O2 Carbon suboxide 1ΣGD∞h
758 MgCO3 Magnesium Carbonate 1A1C2v
759 BeCO3 Beryllium Carbonate 1A1C2v
760 ONONO Nitrosyl nitrite 1A1C2v
761 CHOOCHO diformyl ether   
762 C3H3NO Oxazole 1A'Cs
763 CH3COCCH 3-butyn-2-one 1A'Cs
764 C4H4Se selenophene   
765 CH3OCH2CN Methoxyacetonitrile 1A'Cs
766 CH3OCH2CN Methoxyacetonitrile 1AC1
767 CH3SO2NH2 methanesulfonamide 1A'Cs
768 CH2CHSCHCH2 Divinyl sulfide   
769 HCOOC2H5 Ethyl formate 1A'Cs
770 C2H6O2S Dimethyl sulfone 1A1C2v
771 C4H8S Thiophene, tetrahydro- 1AC1
772 C4H10O Methyl propyl ether 1AC1
773 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
774 C4H9SH 1-Butanethiol   
775 BrONO2 Bromine nitrate 1A'Cs
776 TiF4 Titanium tetrafluoride 1A1Td
777 CF3Br Bromotrifluoromethane 1A1C3v
778 CBrCl2F bromodichlorofluoromethane   
779 CBr2ClF dibromochlorofluoromethane   
780 CBr2Cl2 dibromodichloromethane 1A1C2v
781 CFBr3 fluorotribromomethane 1A1C3v
782 CBr3Cl tribromochloromethane 1A1C3v
783 SiBr4 Silicon tetrabromide 1A1Td
784 ClOF3 Chlorine trifluoride oxide 1A'Cs
785 SF4 Sulfur tetrafluoride 1A1C2v
786 SeF4 Selenium tetrafluoride   
787 CH2ClCCCl 1,3-dichloropropyne   
788 CHCl2CCH 3,3-dichloropropyne   
789 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
790 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
791 SiH3CCl3 (trichloromethyl)silane 1A1C3v
792 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
793 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
794 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
795 C2H2N2O Furazan   
796 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
797 NH3BF3 Amminetrifluoroboron 1A1C3v
798 C6H2 hexatriyne 1ΣgD∞h
799 C6H6 Prismane   
800 C6H6 1,2,4,5-Hexatetraene 1AgC2h
801 C6H6 Benzvalene 1A1C2v
802 C6H6 Dewar Benzene   
803 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
804 C6H7+ benzene, protonated 1A1C2v
805 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
806 C6H10 1,5-Hexadiene 1AgC2
807 C6H10 3-Hexyne 1A1C2v
808 C6H12 2,3-dimethylbut-1-ene 1A'C2
809 C6H12 hex-1-ene 1A'Cs
810 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
811 C4H2N2 Fumaronitrile 1AgC2h
812 C5H6N+ Pyridinium 1A1C2v
813 MgSO4 Magnesium Sulfate 1A1C2v
814 C3H2O3 vinylene carbonate   
815 C2H2O4 Oxalic Acid 1AgC2h
816 C2H4N2S2 Ethanedithioamide 1AGC2h
817 C2H4CO3 Ethylene carbonate 1A1C2v
818 C2H4CO3 Ethylene carbonate 1AC2
819 C2H5NO3 Nitric acid, ethyl ester 1A'C1
820 C5H6O 2H-Pyran   
821 C5H6O Pentadienal   
822 C4H6O2 γ–Butyrolactone 1AC1
823 C3H6O3 1,3,5-Trioxane 1A1C1
824 C3H6S3 1,3,5-Trithiane 1A1C3v
825 C5H8O Cyclopentanone 1AC2
826 C5H8O Methyl cyclopropyl ketone 1A'Cs
827 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
828 C4H8O2 Ethyl acetate 1A'Cs
829 C5H10O 2-methylbutyraldehyde 1AC1
830 C5H10O 3-Pentanone 1A1C2v
831 C4F2 difluorobutadiyne   
832 ClCOClCO Oxalyl chloride 1AGC2h
833 B2Cl4 Diboron tetrachloride 1A1D2
834 CF2CCl2 difluorodichloroethylene 1A1C2v
835 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
836 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
837 CF3OF Trifluoromethylhypofluorite 1A'Cs
838 SiF5- silicon pentafluoride anion   
839 SOF4 Sulfur tetrafluoride oxide 1A1C2v
840 SF5+ pentafluoro sulfur cation 1A1'D3h
841 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
842 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
843 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
844 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
845 C4H3ClO Furan, 2-chloro 1A'Cs
846 C4H3ClO Furan,3-chloro 1A'Cs
847 C4H8O2 Butanoic acid 1AC1
848 C7H7 cycloheptatrienyl radical 2A2C2v
849 C7H7+ cycloheptatrienyl cation 1A1'D7h
850 CH(CN)3 tricyanomethane   
851 C6H6O 2,5-Cyclohexadienone 1A1C2v
852 C5H8O2 Acetylacetone 1AC2
853 C6H12O Oxepane   
854 F2CCCF2 tetrafluoroallene   
855 CF3COO- trifluoro acetate anion 1A'Cs
856 CF3COF trifluoroacetyl fluoride 1A'Cs
857 PF6 Hexafluorophosphate neutral 2B2C2v
858 PF6- Hexafluorophosphate ion 1A1GOh
859 SF6 Sulfur Hexafluoride 1A1GOh
860 SeF6 Selenium hexafluoride 1A1GOh
861 SF5Cl sulfur chloropentafluoride 1A1C4v
862 CF3CHF2 pentafluoroethane 1A'Cs
863 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
864 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
865 C6H12N2 Triethylenediamine 1A1D3
866 S4N4 Tetrasulfur tetranitride   
867 C5H9NO2 Proline 1AC1
868 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
869 C6H4Cl2 1,4-dichlorobenzene   
870 C6H5NO nitrosobenzene 1A'Cs
871 C(CN)4 tetracyanomethane 1A1Td
872 C3F6 hexafluoropropene   
873 C8H18O 1-Octanol   
874 C10H8 Azulene 1A1C2v
875 C10H8 naphthalene 1AgD2h
876 C12H8 biphenylene 1AgD2h
877 S2F10 disulphur decafluoride   

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Li Lithium atom li  
11 Li+ Lithium atom cation li+  
12 Na Sodium atom na  
13 Na- Sodium atom anion na-  
14 Na+ Sodium atom cation na+  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH Lithium Hydride lih  
22 LiH- lithium hydride anion lih-  
23 NaH sodium hydride nah  
24 NaH- sodium hydride anion nah-  
25 NaH+ sodium hydride cation nah+  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be Beryllium atom be  
29 Be- Beryllium atom anion be-  
30 Be+ Beryllium atom cation be+  
31 Mg Magnesium atom mg  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH- magnesium monohydride anion mgh-  
43 MgH+ magnesium monohydride cation mgh+  
44 CaH Calcium monohydride cah  
45 CaH+ Calcium monohydride cation cah+  
46 ZnH Zinc monohydride znh  
47 BeH2 beryllium dihydride beh2  
48 CaH2 Calcium Hydride cah2  
49 ZnH2 Zinc hydride znh2  
50 B Boron atom b  
51 B- Boron atom anion b-  
52 B+ Boron atom cation b+  
53 Ga Gallium atom ga  
54 Ga- Gallium atom anion ga-  
55 Ga+ Gallium atom cation ga+  
56 BH- boron monohydride anion bh-  
57 BH+ boron monohydride cation bh+  
58 AlH aluminum monohydride alh  
59 AlH- aluminum monohydride anion alh-  
60 AlH+ aluminum monohydride cation alh+  
61 GaH Gallium monohydride gah  
62 BH2 boron dihydride bh2  
63 BH2- boron dihydride anion bh2-  
64 BH2+ Boron dihydride cation bh2+  
65 AlH2 aluminum dihydride alh2  
66 AlH2- aluminum dihydride anion alh2-  
67 AlH2+ aluminum dihydride cation alh2+  
68 BH3 boron trihydride bh3  
69 BH3- boron trihydride anion bh3-  
70 AlH3+ aluminum trihydride cation alh3+  
71 GaH3 Gallium trihydride gah3  
72 AlH4- Aluminum tetrahydride anion alh4-  
73 C- Carbon atom anion c-  
74 C+ Carbon atom cation c+  
75 Si Silicon atom si  
76 Si+ Silicon atom cation si+  
77 Ti Titanium atom ti  
78 Ti- Titanium atom anion ti-  
79 Ti+ Titanium atom cation ti+  
80 Ge Germanium atom ge  
81 Ge- Germanium anion ge-  
82 Ge+ Germanium cation ge+  
83 Sn Tin atom sn  
84 Sn+ Tin cation sn+  
85 CH Methylidyne ch  
86 CH- methylidyne anion ch-  
87 CH+ Methylidyne cation ch+  
88 SiH- silicon monohydride anion sih-  
89 SiH2- silicon dihydride anion sih2-  
90 SiH2+ silicon dihydride cation sih2+  
91 GeH2- germylene anion geh2-  
92 SiH3- Silyl anion sih3-  
93 GeH3 Germyl radical geh3  
94 GeH3+ germyl cation geh3+  
95 CD4 methane-d4 cd4  
96 CH2D2 methane-d2 ch2d2  
97 CH3D methane-d ch3d  
98 CH4+ Methane cation ch4+  
99 CHD3 methane-d3 chd3  
100 SiH4+ Silane cation sih4+  
101 SnH4 Stannane snh4  
102 N- Nitrogen atom anion n-  
103 N+ Nitrogen atom cation n+  
104 P- Phosphorus atom anion p-  
105 P+ Phosphorus atom cation p+  
106 Sb Antimony atom sb  
107 NH Imidogen nh  
108 NH- Imidogen anion nh-  
109 NH+ imidogen cation nh+  
110 PH- phosphorus monohydride anion ph-  
111 PH+ phosphorus monohydride cation ph+  
112 AsH Arsenic monohydride ash  
113 AsH+ Arsenic monohydride cation ash+  
114 SbH Antimony monohydride sbh  
115 ND2 Amidogen-d2 nd2  
116 NH2- amino anion nh2-  
117 PH2 Phosphino radical ph2  
118 PH2- Phosphino anion ph2-  
119 PH2+ Phosphino cation ph2+  
120 AsH2 Arsenic dihydride ash2  
121 AsH2+ Arsenic dihydride cation ash2+  
122 ND3 Ammonia-d3 nd3  
123 AsH3+ Arsine cation ash3+  
124 SbH3 Stibine sbh3  
125 AsH4+ Arsonium ash4+  
126 O- Oxygen atom anion o-  
127 O+ Oxygen atom cation o+  
128 Cr Chromium atom cr  
129 Te Tellurium atom te  
130 Te+ Tellurium atom cation te+  
131 DO Hydroxyl-d od  
132 DS Mercapto-d ds  
133 TeH Telluryl radical teh  
134 D2O Deuterium oxide d2o  
135 D2S Hydrogen sulfide-d2 d2s  
136 H2S- Hydrogen sulfide anion h2s-  
137 H2Te Hydrogen Telluride h2te  
138 Mn Manganese atom mn  
139 I Iodine atom iodine  
140 I- Iodine atom anion iodine-  
141 I+ Iodine atom cation iodine+  
142 DF Hydrofluoric acid-d df  
143 HF- hydrogen fluoride anion hf-  
144 HF+ hydrogen fluoride cation hf+  
145 DCl Hydrochloric acid-d dcl  
146 HCl Hydrogen chloride hcl  
147 HCl- hydrogen chloride anion hcl-  
148 HI Hydrogen iodide hi  
149 HI+ Hydrogen iodide cation hi+  
150 H2F+ dihydrogen fluoride cation h2f+  
151 H2I+ Iodonium h2i+  
152 Ne- Neon atom anion ne-  
153 Ne+ Neon atom cation ne+  
154 Ar Argon atom ar  
155 Ar- Argon atom anion ar-  
156 Ar+ Argon atom cation ar+  
157 Fe Iron atom fe  
158 Xe Xenon atom xe  
159 NeH+ neon hydrogen cation neh+  
160 XeH+ Xenon, protonated xeh+  
161 Co Cobalt atom cobalt  
162 Ni Nickel atom ni  
163 Li2 Lithium diatomic li2  
164 Li2- lithium diatomic anion li2-  
165 Li2+ lithium diatomic cation li2+  
166 NaLi lithium sodium lina  
167 NaLi- lithium sodium anion lina-  
168 NaLi+ lithium sodium cation lina+  
169 LiK Lithium Potassium lik  
170 Na2 Sodium diatomic na2  
171 NaK Sodium Potassium nak  
172 K2 Potassium diatomic k2  
173 Cu2 Copper diatomic cu2  
174 LiBe Lithium Beryllium libe  
175 LiMg Lithium magnesium limg  
176 NaBe Sodium Beryllium nabe  
177 NaMg Sodium Magnesium namg  
178 Be2- Beryllium diatomic anion be2-  
179 Be2+ Beryllium diatomic cation be2+  
180 Mg2- magnesium diatomic anion mg2-  
181 Mg2+ magnesium diatomic cation mg2+  
182 B2- Boron diatomic anion b2-  
183 Al2 Aluminum diatomic al2  
184 Al2- aluminum diatomic anion al2-  
185 Al2+ aluminum diatomic cation al2+  
186 LiBH4 Lithium borohydride libh4  
187 Al2H6 dialane al2h6  
188 LiC Lithium Carbide lic  
189 BC boron monocarbide bc  
190 BC- boron monocarbide anion bc-  
191 BC+ boron monocarbide cation bc+  
192 C2- carbon diatomic anion c2-  
193 SiC- silicon monocarbide anion sic-  
194 SiC+ silicon monocarbide cation sic+  
195 Si2 Silicon diatomic si2  
196 Si2- silcon diatomic anion si2-  
197 Si2+ silcon diatomic cation si2+  
198 GeC Germanium monocarbide gec  
199 Ge2 Germanium diatomic ge2  
200 C2H+ Ethynyl cation c2h+  
201 ZnCH2 Zinc methylene znch2  
202 C2H2 Acetylene c2h2  
203 CCH2 vinylidene vinylidene  
204 Si2H2 disilyne si2h2  
205 CuCH3 monomethyl copper cuch3  
206 ZnCH3 Zinc monomethyl znch3  
207 C2H4 Ethylene c2h4  
208 CH3CH methylmethylene ch3ch  
209 CH2SiH2 silaethylene ch2sih2  
210 C2H5- Ethyl anion c2h5-  
211 C2H5+ Ethyl cation c2h5+  
212 C2H6+ ethane cation c2h6+  
213 CH3SiH3 methyl silane ch3sih3  
214 GeH3CH3 methyl germane geh3ch3  
215 C2H7+ Ethane, protonated c2h7+  
216 LiN Lithium Nitride lin  
217 LiN+ Lithium Nitride cation lin+  
218 BeN Beryllium mononitride ben  
219 BeN- Beryllium mononitride anion ben-  
220 BN- boron nitride anion bn-  
221 AlN- aluminum mononitride anion aln-  
222 AlN+ aluminum mononitride cation aln+  
223 GaN Gallium mononitride gan  
224 BN+ boron nitride cation bn+  
225 AlN Aluminum nitride aln  
226 CN+ Cyano cation cn+  
227 CP Carbon monophosphide cp  
228 CP- carbon monophosphide anion cp-  
229 CP+ carbon monophosphide cation cp+  
230 SiN Silicon nitride sin  
231 SiN- silicon mononitride anion sin-  
232 SiN+ silicon mononitride cation sin+  
233 SiP- Silicon monophosphide anion sip-  
234 SiP+ Silicon monophosphide cation sip+  
235 TiN Titanium mononitride tin  
236 PN Phosphorus mononitride pn  
237 PN- phosphorus nitride anion pn-  
238 PN+ phosphorus nitride cation pn+  
239 P2- phosphorus diatomic anion p2-  
240 P2+ phosphorus diatomic cation p2+  
241 AsN Arsenic mononitride asn  
242 AsP Arsenic monophosphide asp  
243 SbN Antimony nitride sbn  
244 As2 Arsenic diatomic as2  
245 HNB hydrogen nitrogen boron hnb  
246 HNC hydrogen isocyanide hnc  
247 HCN- Hydrogen cyanide anion hcn-  
248 HCP Phosphaethyne hcp  
249 HCP+ Phosphaethyne cation hcp+  
250 NNH Dinitrogen monohydride nnh  
251 HPO Hydrogen phosphorus oxide hpo  
252 HPO+ Hydrogen phosphorus oxide cation hpo+  
253 CNH2 Aminomethylidyne radical cnh2  
254 CNH2+ N-protonated hydrogen isocyanide cnh2+  
255 H2CN Dihydrogen cyanide radical h2cn  
256 H2CN+ hydrocyanonium cation h2cn+  
257 HCNH methyleneazane hcnh  
258 HCNH+ N-protonated HCN hcnh+  
259 H2NN Isodiazene h2nn  
260 CH2PH Phosphaethene ch3p  
261 P2H4 Diphosphine p2h4  
262 CH3PH2 Methyl phosphine ch3ph2  
263 CH3NH3+ protonated methylamine ch3nh3+  
264 LiO- lithium oxide anion lio-  
265 LiO+ lithium oxide cation lio+  
266 NaO- sodium oxide anion nao-  
267 NaO+ sodium oxide cation nao+  
268 CuO Copper Monoxide cuo  
269 LiSe Lithium monoselenide lise  
270 BeO beryllium oxide beo  
271 BeO- Beryllium monoxide anion beo-  
272 BeO+ Beryllium monoxide cation beo+  
273 BeS beryllium sulfide bes  
274 MgO magnesium oxide mgo  
275 MgO- magnesium oxide anion mgo-  
276 MgO+ magnesium oxide cation mgo+  
277 MgS magnesium sulfide mgs  
278 MgS- magnesium sulfide anion mgs-  
279 MgS+ magnesium sulfide cation mgs+  
280 ZnO zinc monoxide zno  
281 ZnS Zinc sulfide zns  
282 BeS- Beryllium monosulfide anion bes-  
283 BeS+ Beryllium monosulfide cation bes+  
284 BO- boron monoxide anion bo-  
285 AlO Aluminum monoxide alo  
286 AlO- Aluminum monoxide anion alo-  
287 AlO+ aluminum monoxide cation alo+  
288 BS boron sulfide bs  
289 BS- boron monosulfide anion bs-  
290 BS+ boron monosulfide cation bs+  
291 AlS Aluminum sulfide als  
292 AlS- aluminum monosulfide anion als-  
293 AlS+ aluminum monosulfide cation als+  
294 GaO Gallium monoxide gao  
295 GaS Gallium monosulfide gas  
296 BO+ boron monoxide cation bo+  
297 CS carbon monosulfide cs  
298 CS- carbon monosulfide anion cs-  
299 CS+ carbon monosulfide cation cs+  
300 SiO Silicon monoxide sio  
301 SiO- silicon monoxide anion sio-  
302 SiO+ silicon monoxide cation sio+  
303 SiS silicon monosulfide sis  
304 SiS- silicon monosulfide anion sis-  
305 SiS+ silicon monosulfide cation sis+  
306 CSe Carbon monoselenide cse  
307 CSe- Carbon monoselenide anion cse-  
308 CSe+ Carbon monoselenide cation cse+  
309 GeSe Germanium monoselenide gese  
310 NS- nitrogen sulfide anion ns-  
311 NS+ nitrogen sulfide cation ns+  
312 PO- phosphorus monoxide anion po-  
313 PO+ phosphorus monoxide cation po+  
314 PS- phosphorus monosulfide anion ps-  
315 PS+ phosphorus monosulfide cation ps+  
316 AsO Arsenic monoxide aso  
317 O2-- dioxygen dianion o2--  
318 SO- sulfur monoxide anion so-  
319 S2- sulfur diatomic anion s2-  
320 S2+ sulfur diatomic cation s2+  
321 SeO- selenium monoxide anion seo-  
322 SeO+ selenium monoxide cation seo+  
323 SeS Selenium monosulfide ses  
324 SeS- selenium monosulfide anion ses-  
325 SeS+ selenium monosulfide cation ses+  
326 TeO Tellurium monoxide teo  
327 Se2 Selenium diatomic se2  
328 Se2- selenium diatomic anion se2-  
329 Se2+ selenium diatomic cation se2+  
330 Te2 Tellurium diatomic te2  
331 NaOH sodium hydroxide naoh  
332 MgOH magnesium hydroxide mgoh  
333 CaOH Calcium monohydroxide caoh  
334 HBS hydrogen boron sulfide hbs  
335 HCO Formyl radical hco  
336 HCO+ Formyl cation hco+  
337 HCS Thioformyl radical hcs  
338 HCS- Thioformyl anion hcs-  
339 HCS+ Thioformyl cation hcs+  
340 HNO Nitrosyl hydride hno  
341 HNO- Nitrosyl hydride anion hno-  
342 HNS Sulfur imide hns  
343 HNS- Sulfur imide anion hns-  
344 HO2- Hydroperoxy anion ho2-  
345 HS2 Thiosulfeno radical hs2  
346 HOCH hydroxycarbene hoch  
347 H2CSe Selenoformaldehyde h2cse  
348 H2O2+ Hydrogen peroxide cation h2o2+  
349 H2Se2 hydrogen diselenide h2se2  
350 CH3O Methoxy radical ch3o  
351 CH3S thiomethoxy ch3s  
352 NH3O Ammonia Oxide nh3o  
353 H3O2+ hydrogen peroxide, protonated h3o2+  
354 CH3OH+ Methyl alcohol cation ch3oh+  
355 CH3SeH Methane selenol ch3seh  
356 CH3OH2+ Methanol, protonated ch3oh2+  
357 H2ONH3 Water Ammonia Dimer h2onh3  
358 LiCl- lithium chloride anion licl-  
359 LiCl+ lithium chloride cation licl+  
360 NaF- sodium fluoride anion naf-  
361 KF Potassium Fluoride kf  
362 NaCl- sodium chloride anion nacl-  
363 NaCl+ sodium chloride cation nacl+  
364 KCl Potassium Chloride kcl  
365 CuF Copper monofluoride cuf  
366 LiBr- lithium bromide anion libr-  
367 LiBr+ lithium bromide cation libr+  
368 CuCl Copper monochloride cucl  
369 NaBr Sodium Bromide nabr  
370 NaBr- sodium bromide anion nabr-  
371 NaBr+ sodium bromide cation nabr+  
372 KBr Potassium Bromide kbr  
373 LiI Lithium Iodide lii  
374 NaI Sodium Iodide nai  
375 KI Potassium Iodide ki  
376 LiF- lithium fluoride anion lif-  
377 BeF Beryllium monofluoride bef  
378 BeF- Beryllium monofluoride anion bef-  
379 BeF+ Beryllium monofluoride cation bef+  
380 BeCl beryllium monochloride becl  
381 MgF Magnesium monofluoride mgf  
382 MgF- magnesium fluoride anion mgf-  
383 CaF Calcium monofluoride caf  
384 MgCl magnesium monochloride mgcl  
385 MgCl- magnesium monochloride anion mgcl-  
386 MgCl+ magnesium monochloride cation mgcl+  
387 CaCl calcium monochloride cacl  
388 ZnF- Zinc monofluoride anion znf-  
389 ZnF+ Zinc monofluoride cation znf+  
390 ZnCl Zinc monochloride zncl  
391 BeCl- beryllium monochloride anion becl-  
392 BeCl+ beryllium monochloride cation becl+  
393 BF Boron monofluoride bf  
394 BF- Boron monofluoride anion bf-  
395 BF+ Boron monofluoride cation bf+  
396 AlF Aluminum monofluoride alf  
397 AlF- Aluminum monofluoride anion alf-  
398 AlF+ Aluminum monofluoride cation alf+  
399 BCl boron monochloride bcl  
400 BCl- boron monochloride anion bcl-  
401 BCl+ boron monochloride cation bcl+  
402 AlCl- aluminum monochloride anion alcl-  
403 AlCl+ aluminum monochloride cation alcl+  
404 BBr Boron monobromide bbr  
405 GaF Gallium monofluoride gaf  
406 GaCl Gallium monochloride gacl  
407 AlI Aluminum monoiodide ali  
408 GaBr Gallium monobromide gabr  
409 CF- carbon monofluoride anion cf-  
410 CF+ carbon monofluoride cation cf+  
411 CCl carbon monochloride ccl  
412 CCl- carbon monochloride anion ccl-  
413 CCl+ carbon monochloride cation ccl+  
414 SiF- silicon monofluoride anion sif-  
415 SiCl Clorosilylidyne sicl  
416 SiCl- silicon monochloride anion sicl-  
417 SiCl+ silicon monochloride cation sicl+  
418 GeF Germanium monofluoride gef  
419 GeCl Germanium monochloride gecl  
420 NF nitrogen fluoride nf  
421 NF- nitrogen monofluorine anion nf-  
422 NF+ nitrogen monofluoirde cation nf+  
423 NCl- nitrogen monochloride anion ncl-  
424 NCl+ nitrogen monochloride cation ncl+  
425 PF phosphorus monofluoride pf  
426 PF- phosphorus monofluoride anion pf-  
427 PF+ phosphorus monofluoride cation pf+  
428 PCl phosphorus chloride pcl  
429 PCl- phosphorus monochloride anion pcl-  
430 PCl+ phosphorus monochloride cation pcl+  
431 NBr nitrogen monobromide nbr  
432 SbF Antimony monofluoride sbf  
433 SbCl Antimony monochloride sbcl  
434 FO- flourine oxide anion fo-  
435 FO+ fluorine monoxide cation fo+  
436 ClO Monochlorine monoxide clo  
437 ClO- chlorine monoxide anion clo-  
438 ClO+ chlorine monoxide cation clo+  
439 SF- sulfur monofluoride anion sf-  
440 SF+ sulfur monofluoride cation sf+  
441 SCl- sulfur monochloride anion scl-  
442 SCl+ sulfur monochloride cation scl+  
443 BrO- Bromine monoxide anion bro-  
444 BrO+ Bromine monoxide cation bro+  
445 SBr Sulfur monobromide radical sbr  
446 SBr+ Sulfur monobromide cation sbr+  
447 IO Iodine monoxide io  
448 SeBr Selenium monobromide sebr  
449 ClF- clorine monofluoride anion clf-  
450 BrF- bromine fluoride anion brf-  
451 BrF+ bromine fluoride cation brf+  
452 BrCl- bromine chloride anion brcl-  
453 BrCl+ bromine chloride cation brcl+  
454 IF Iodine monofluoride if  
455 ICl Iodine monochloride icl  
456 IBr Iodine monobromide ibr  
457 I2 Iodine diatomic i2  
458 I2+ Iodine diatomic cation i2+  
459 HCCl Chloromethylene hccl  
460 HSiF fluorosilylene hsif  
461 HSiCl Chlorosilylene hsicl  
462 HSiBr monobromosilylene hsibr  
463 CHBr bromomethylene chbr  
464 HOF Hypofluorous acid hfo  
465 DOCl Hypochlorous acid-d docl  
466 HOBr Hypobromous acid hobr  
467 HOBr+ Hypobromous acid cation hobr+  
468 HOI Hypoiodous acid hoi  
469 FHF Hydrogen difluoride fhf  
470 FHF- Hydrogen difluoride anion fhf-  
471 NH2F monofluoroamine nh2f  
472 H2F2 Hydrogen fluoride dimer h2f2  
473 CD3F methylfluoride-d3 cd3f  
474 CD3Cl methyl chloride d3 cd3cl  
475 CH3Cl+ Methyl chloride cation ch3cl+  
476 SiH3F monofluorosilane sih3f  
477 GeH3F monofluorogermane geh3f  
478 GeH3Cl monochlorogermane geh3cl  
479 CH3I methyl iodide ch3i  
480 SiH3I Silyl Iodide sih3i  
481 NH3Cl+ protonated monochloroammonia nh3cl+  
482 Ne2 Neon diatomic ne2  
483 C3+ carbon trimer cation c3+  
484 SiC2 Silicon dicarbide sic2  
485 C3H3 Propargyl radical propargyl  
486 C3H3- Propargyl anion c3h3-  
487 C3H3+ cyclopropenyl cation cpr+  
488 C3H3+ Propargyl cation c3h3+  
489 CH2CCH2 allene allene  
490 C3H5+ Allyl cation allyl+  
491 CH3CHCH 1-propenyl radical ch3chch  
492 Zn(CH3)2 dimethyl zinc dmz  
493 C3H6 Cyclopropane c3h6  
494 CH3CHCH3 Isopropyl radical isopropyl  
495 SiH2(CH3)2 dimethylsilane dms  
496 CuCN Copper cyanide cucn  
497 AlCN Aluminum monocyanide alcn  
498 AlNC Aluminum isocyanide alnc  
499 CNN Diazocarbene cnn  
500 N3- azide anion n3-  
501 HCNN diazomethyl radical hcnn  
502 HN3 hydrogen azide hn3  
503 CH2N2 diazirine ch2n2  
504 CH2NN diazomethane ch2nn  
505 CH3CN+ Acetonitrile cation ch3cn+  
506 CH3NC methyl isocyanide ch3nc  
507 CH3CHN methylmethaniminyl radical ch3chn  
508 NHCHNH2 aminomethanimine cn2h4  
509 C2H5N Aziridine c2h5n  
510 CH2CHNH2 aminoethene aminoethene  
511 CH2NCH3 N-methylmethanimine nmm  
512 CH3CHNH ethanimine ethanimine  
513 NH2BHNH2 diaminoborane nh2bhnh2  
514 NH2CH2NH2 diaminomethane nh2ch2nh2  
515 CH3NHCH3 Dimethylamine ch3nhch3  
516 NH2CH2NH3+ diaminoethane, protonated pdam  
517 Li2O+ dilithium oxide cation li2o+  
518 LiO2 Lithium dioxide lio2  
519 CNO- fulminate cno-  
520 NCO- cyanate nco-  
521 SCN thiocyanato radical scn  
522 SCN- thiocyanide anion scn-  
523 BO2 Boron dioxide bo2  
524 BO2- Boron dioxide anion bo2-  
525 BO2+ Boron dioxide cation bo2+  
526 N2O+ Nitrous oxide cation n2o+  
527 NNS Nitrogen sulfide nns  
528 PPO Phosphorus oxide phosphide ppo  
529 CO2 Carbon dioxide co2  
530 CO2- Carbon dioxide anion co2-  
531 CO2+ Carbon dioxide cation co2+  
532 OCS+ Carbonyl sulfide cation cos+  
533 SiO2 silicon dioxide sio2  
534 CS2- Carbon disulfide anion cs2-  
535 CS2+ Carbon disulfide cation cs2+  
536 GeO2 Germanium dioxide geo2  
537 GeS2 Germanium disulfide ges2  
538 SCTe Carbon sulfide Telluride scte  
539 NO2- Nitrogen dioxide anion no2-  
540 PO2 Phosphorus dioxide po2  
541 PO2- Phosphorus dioxide anion po2-  
542 PO2+ Phosphorus dioxide cation po2+  
543 AsO2 Aresenic dioxide aso2  
544 O3- Ozone anion o3-  
545 O3+ Ozone cation o3+  
546 SO2 Sulfur dioxide so2  
547 SO2- Sulfur dioxide anion so2-  
548 SO2+ Sulfur dioxide cation so2+  
549 SSO Disulfur monoxide sso  
550 S3- Sulfur trimer anion s3-  
551 TeO2 Tellurium Dioxide teo2  
552 CS2H+ Carbon disulfide, protonated cs2h+  
553 HNCO Isocyanic acid hnco  
554 HOCN cyanic acid hocn  
555 HCO2- formate anion hco2-  
556 HNNO nitrosoazane hnno  
557 HCOO formate neutral radical hcoo  
558 HOCO+ Hydrocarboxyl cation hoco+  
559 HNO2 Nitrous acid hno2  
560 HNO2+ nitrous acid cation hno2+  
561 CH2CO+ Ketene cation ch2co+  
562 HCCOH ethynol hccoh  
563 Mg(OH)2 Magnesium dihydroxide h2mgo2  
564 CH2O2 Dioxirane diox  
565 H2O3 Hydrogen trioxide h2o3  
566 NaOCH3 Sodium methoxide naoch3  
567 CH2CHO Vinyloxy radical ch2cho  
568 CH3CO Acetyl radical ch3co  
569 CH3CO- Acetyl anion ch3co-  
570 CH3CO+ acetyl cation ch3co+  
571 CHONH2 formamide formamide  
572 CH2OOH CH2OOH radical ch2ooh  
573 CH3OO methylperoxy radical ch3oo  
574 CH3OO- methylperoxy anion ch3oo-  
575 CH3OO+ methylperoxy cation ch3oo+  
576 CH2CHOH ethenol ch2choh  
577 H2CONH2+ protonated formamide h2conh2+  
578 NH3CHO+ Formamide, N-Protonated nh3cho+  
579 CH2(OH)2 methanediol ch2o2h2  
580 CH3OOH Methyl peroxide ch3ooh  
581 H2OH2CO water formaldehyde dimer h2oh2co  
582 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
583 CH3CH2O Ethoxy radical ethoxy  
584 CH3OCH2 methoxymethyl radical ch3och2  
585 CH3CH2OH Ethanol etoh  
586 CH3OCH3 Dimethyl ether meome  
587 CH3OHH2O methanol water dimer ch3ohh2o  
588 H2OCH3OH water methanol dimer h2och3oh  
589 ZnF2 Zinc difluoride znf2  
590 FCN Cyanogen fluoride fcn  
591 ClCN chlorocyanogen clcn  
592 ICN Cyanogen iodide icn  
593 FBO Boron monofluoride monoxide fbo  
594 BeF2 Beryllium fluoride bef2  
595 MgF2 Magnesium fluoride mgf2  
596 BeCl2 Beryllium chloride becl2  
597 MgCl2 Magnesium dichloride mgcl2  
598 CaCl2 Calcium Chloride cacl2  
599 ZnCl2 Zinc dichloride zncl2  
600 BeBr2 Beryllium bromide bebr2  
601 CaF2 Calcium difluoride caf2  
602 FNO Nitrosyl fluoride fno  
603 ClNO Nitrosyl chloride clno  
604 BrNO Nitrosyl bromide brno  
605 INO Nitrosyl iodide ino  
606 CF2- Difluoromethylene anion cf2-  
607 CF2+ Difluoromethylene cation cf2+  
608 SiF2 Silicon difluoride sif2  
609 CCl2 dichloromethylene ccl2  
610 CCl2- dichloromethylene anion ccl2-  
611 CCl2+ dichloromethylene cation ccl2+  
612 SiCl2 Dichlorosilylene sicl2  
613 GeF2 Germanium difluoride gef2  
614 GeCl2 Germanium dichloride gecl2  
615 FOO Dioxygen monofluoride radical foo  
616 FOO+ Fluorine dioxide cation foo+  
617 ClOO chloroperoxy radical cloo  
618 ClOO+ chloroperoxy cation cloo+  
619 OClO Chlorine dioxide oclo  
620 OClO+ Chlorine dioxide cation oclo+  
621 ClS2 Sulfur chloride cls2  
622 NF2 Difluoroamino radical nf2  
623 NF2+ Difluoroamino cation nf2+  
624 PF2+ Phosphorus difluoride cation pf2+  
625 F2O Difluorine monoxide f2o  
626 SF2- sulfur difluoride anion sf2-  
627 SF2+ sulfur difluoride cation sf2+  
628 Cl2O Dichlorine monoxide cl2o  
629 SeF2 Selenium difluoride sef2  
630 BrOCl Bromine hypochlorite brocl  
631 SeCl2 Selenium Dichloride secl2  
632 SBr2 Sulfur dibromide sbr2  
633 SeBr2 Selenium dibromide sebr2  
634 BrOBr Bromine oxide brobr  
635 F3- trifluoride anion f3-  
636 Cl3- trichloride anion cl3-  
637 Br3- tribromide anion br3-  
638 I3- triiodide i3-  
639 HCCF Fluoroacetylene hccf  
640 HCCF+ fluoroacetylene cation hccf+  
641 HFCO formyl fluoride hfco  
642 COHCl Formyl chloride cohcl  
643 COHBr Formyl bromide cohbr  
644 BHF2 Difluoroborane bhf2  
645 BHCl2 Borane, dichloro- bhcl2  
646 CHF2 difluoromethyl radical chf2  
647 HOClO Chlorous acid hoclo  
648 CH2F2 Methane, difluoro- ch2f2  
649 CH2FCl fluorochloromethane ch2fcl  
650 CH2FI fluoroiodomethane ch2fi  
651 CH2Br2 dibromomethane ch2br2  
652 CH2ClI chloroiodomethane ch2cli  
653 CH2BrI bromoiodomethane ch2bri  
654 CH2I2 Diiodomethane ch2i2  
655 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
656 CH2CHF Ethene, fluoro- ch2chf  
657 CH2CHF+ fluoroethene cation ch2chf+  
658 C2H3Cl Ethene, chloro- ch2chcl  
659 C2H3Br vinyl bromide c2h3br  
660 C2H3I Vinyl iodide c2h3i  
661 CH3OCl methyl hypochlorite ch3ocl  
662 C2H5F fluoroethane c2h5f  
663 CH3CH2Cl Ethyl chloride c2h5cl  
664 CH3SiFH2 fluoromethylsilane ch3sifh2  
665 C2H5Br Ethyl bromide etbr  
666 C2H5I Ethyl iodide c2h5i  
667 KrF2 Krypton difluoride krf2  
668 XeF2 Xenon difluoride xef2  
669 C4+ Carbon tetramer cation c4+  
670 C2H3CCH 1-Buten-3-yne c2h3cch  
671 C4H4 cyclobutadiene cbd  
672 H2CCCCH2 Butatriene h2cccch2  
673 C4H6 1-Methylcyclopropene c3100047  
674 C4H6 Cyclobutene c822355  
675 C4H6 Methylenecyclopropane c6142730  
676 CH2CCHCH3 1,2-Butadiene butad12  
677 CH2CHCHCH2 1,3-Butadiene c106990  
678 CH3CCCH3 2-Butyne c503173  
679 CH3CHCHCH2 methylallyl radical c4h7  
680 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
681 CH3CHCHCH3 2-Butene, (E)- bute2e  
682 CH3CHCHCH3 2-Butene, (Z)- bute2z  
683 B(CH3)3 trimethylborane bme3  
684 Al(CH3)3 trimethyl aluminum tma  
685 C(CH3)3 Tert-butyl radical tbutyl  
686 CH2CH(CH3)2 Isobutyl radical isobutyl  
687 CH3CHCH2CH3 2-Butyl radical butyl2  
688 CH3CH(CH3)CH3 Isobutane isobutane  
689 SiH(CH3)3 trimethylsilane trimsi  
690 C2N2+ Cyanogen cation c2n2+  
691 P4 Phosphorus tetramer p4  
692 HCCCN Cyanoacetylene hcccn  
693 C3H3N acrylonitrile ch2chcn  
694 C3H3N+ acrylonitrile cation ch2chcn+  
695 C2H5CN ethyl cyanide c2h5cn  
696 CH5N3 Guanidine guanidine  
697 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
698 CH6N3+ guanidinium ch6n3+  
699 C3H7N Cyclopropylamine cpram  
700 C3H7N Azetidine azet  
701 C2H8N2 Ethylenediamine ethdiam  
702 CH3NHNHCH3 dimethyl hydrazine dmh  
703 CH3CH(NH2)CH3 2-Propanamine pram2  
704 N(CH3)3 Trimethylamine trimeam  
705 As(CH3)3 trimethyl arsine tmas  
706 Li2O2 dilithium dioxide li2o2  
707 Na2O2 disodium dioxide na2o2  
708 K2O2 dipotassium dioxide k2o2  
709 B2O2 Diboron dioxide b2o2  
710 CO3-- carbonate co3--  
711 NO3 Nitrogen trioxide no3  
712 NO3+ nitrogen trioxide cation no3+  
713 SO3- Sulfur trioxide anion so3-  
714 SO3-- Sulfate dianion so3--  
715 SO3+ Sulfur trioxide cation so3+  
716 SeO3 selenium trioxide seo3  
717 TeO3 Tellurium trioxide teo3  
718 HCO3- bicarbonate anion hco3-  
719 HNO3 Nitric acid hno3  
720 HSO3 Hydroxysulfonyl radical hso3  
721 C2H2CO cyclopropenone c2h2co  
722 HCCCHO 2-propynal hcccho  
723 C2H2O2 Ethanedial c2h2o2  
724 C2H2O2+ Ethanedial cation c2h2o2+  
725 H2CO3 Carbonic acid h2co3  
726 H2CS3 thiocarbonic acid h2cs3  
727 H2NO3+ Nitric Acid, Protonated h2no3+  
728 C2H3NO Nitrosoethylene c2h3no  
729 CH3COO- acetate anion ch3coo-  
730 CH3ONO Methyl nitrite ch3ono  
731 H3BO3 Boric acid h3bo3  
732 H3CO3+ carbonic acid, protonated h3co3+  
733 C3H4O 2-Propyn-1-ol c107197  
734 C3H4O allenol c9000071  
735 C3H4O Cyclopropanone cpone  
736 C3H4O Methylketene c6004440  
737 CH2CHCHO Acrolein c3h4o  
738 NH2CONH2+ Urea cation urea+  
739 NH2CSNH2 Thiourea thiourea  
740 C2H4O2 1,3-dioxetane c2h4o2  
741 CH3COOH Acetic acid ch3cooh  
742 CH3OCHO methyl formate ch3ocho  
743 CHOCH2OH hydroxy acetaldehyde haa  
744 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
745 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
746 HCOOHH2O Formic acid water dimer hcoohh2o  
747 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
748 CH3CONH2 Acetamide acetamide  
749 C2H5OO ethylperoxy radical c2h5oo  
750 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
751 C3H6O Propylene oxide prox  
752 CH3COCH3 Acetone acetone  
753 CH3COCH3- acetone anion ch3coch3-  
754 C3H6S Thietane thietane  
755 C3H6S Thiirane, methyl- methiirane  
756 CH3CSCH3 Thioacetone ch3csch3  
757 C2H6O2 1,2-Ethanediol ethdiol  
758 CH3OOCH3 dimethylperoxide dmp  
759 CH3SOCH3 Dimethyl sulfoxide dmso  
760 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
761 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
762 CH3COHCH3+ acetone, protonated acetoneh+  
763 C3H7OH 1-Propanol proh  
764 CH3CHOHCH3 Isopropyl alcohol isoproh  
765 C3H7SH 1-Propanethiol prsh  
766 CH3CHSHCH3 2-Propanethiol isoprsh  
767 CH3SCH2CH3 Ethane, (methylthio)- etsme  
768 H2OCH3OCH3 water dimethylether dimer h2och3och3  
769 Na2F2 Sodium Fluoride Dimer na2f2  
770 Na2Cl2 Disodium dichloride na2cl2  
771 C2F2 difluoroacetylene c2f2  
772 C2Cl2 dichloroacetylene c2cl2  
773 C2Cl2+ dichloroacetylene cation c2cl2+  
774 ClNO2 Nitryl chloride clno2  
775 BrONO Bromine nitrite brono  
776 N2F2 (Z)-Difluorodiazene n2f2_z  
777 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
778 CF2O Carbonic difluoride f2co  
779 COFCl Carbonic chloride fluoride cofcl  
780 CCl2O Phosgene cl2co  
781 Cl2CS Thiophosgene cl2cs  
782 COBr2 Carbonic dibromide cobr2  
783 BF3 Borane, trifluoro- bf3  
784 BF3- Borane, trifluoro- anion bf3-  
785 AlF3 Aluminum trifluoride alf3  
786 BClF2 Chlorodifluoroborane bclf2  
787 AlF2Cl Aluminum chloride difluoride alclf2  
788 AlFCl2 Aluminum dichloride fluoride alcl2f  
789 BCl3+ Boron Trichloride cation bcl3+  
790 GaF3 Gallium trifluoride gaf3  
791 AlCl3 Aluminum trichloride alcl3  
792 GaCl3 Gallium trichloride gacl3  
793 BBr3 Boron tribromide bbr3  
794 AlBr3 Aluminum Bromide albr3  
795 ClO3 Chlorine trioxide clo3  
796 ClO3- chlorate anion clo3-  
797 BrO3- Bromate anion bro3-  
798 CF3 Trifluoromethyl radical cf3  
799 CCl3 Trichloromethyl radical ccl3  
800 CCl3- Trichloromethyl anion ccl3-  
801 CCl3+ Trichloromethyl cation ccl3+  
802 SiCl3 trichlorosilyl radical sicl3  
803 SiCl3+ trichlorosilyl cation sicl3+  
804 FOOF Perfluoroperoxide foof  
805 F2SO Thionyl Fluoride f2so  
806 FSSF Difluorodisulfane fssf  
807 S2F2 Thio-thionyl fluoride s2f2  
808 SOCl2 thionyl chloride socl2  
809 SeOCl2 selenium oxychloride seocl2  
810 NF3 Nitrogen trifluoride nf3  
811 NF3- Nitrogen trifluoride anion nf3-  
812 NF3+ Nitrogen trifluoride cation nf3+  
813 PF3 Phosphorus trifluoride pf3  
814 AsF3 Arsenic trifluoride asf3  
815 PCl3 Phosphorus trichloride pcl3  
816 SbF3 Antimony Trifluoride sbf3  
817 SbCl3 Antimony Trichloride sbcl3  
818 PBr3 Phosphorus tribromide pbr3  
819 AsBr3 Arsenic tribromide asbr3  
820 NI3 Nitrogen triiodide ni3  
821 PI3 Phosphorus triiodide pi3  
822 ClSSCl Disulfur dichloride s2cl2  
823 SF3 Sulfur trifluoride sf3  
824 BrF3 Bromine trifluoride brf3  
825 IF3 iodone trifluoride if3  
826 CHF3 Methane, trifluoro- chf3  
827 CHF2Cl difluorochloromethane chf2cl  
828 CHFCl2 fluorodichloromethane chfcl2  
829 CDCl3 trichloromethane-d cdcl3  
830 CHCl3 Chloroform chcl3  
831 CHBrF2 Methane, bromodifluoro- chbrf2  
832 SiHCl3 Trichlorosilane sihcl3  
833 CHF2I difluoroiodomethane chf2i  
834 CHFClI fluorochloroiodomethane chfcli  
835 CHCl2I dichloroiodomethane chcl2i  
836 CHClBr2 Methane, dibromochloro- chclbr2  
837 CHBr3 bromoform chbr3  
838 CHI3 Iodoform chi3  
839 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
840 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
841 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
842 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
843 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
844 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
845 C2H2Br2 1,1-dibromoethene c2h2br2  
846 CH2FCHO Fluoroacetaldehyde ch2fcho  
847 CH3COF Acetyl fluoride ch3cof  
848 CH2ClCHO chloroacetaldehyde ch2clcho  
849 CH3COCl Acetyl Chloride ch3cocl  
850 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
851 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
852 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
853 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
854 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
855 CH2CFCH3 2-fluoropropene 2fpro  
856 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
857 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
858 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
859 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
860 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
861 CH3CHClCH3 Propane, 2-chloro- prcl2  
862 CH3CH2CH2Br n-propyl bromide prbr  
863 CH3CHBrCH3 i-propyl bromide iprbr  
864 C3H9O+ trimethyl oxonium cation c3h9o+  
865 C5H5 cyclopentadienyl radical c5h5  
866 C5H5- cylopentadienyl anion c5h5-  
867 C5H6 1,3-Cyclopentadiene c542927  
868 C5H6 1-Buten-3-yne, 2-methyl- c78808  
869 C5H6 3-Penten-1-yne, (E)- c2004695  
870 C5H6 3-Penten-1-yne, (Z)- c1574409  
871 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
872 C5H6 Cyclopropylacetylene c6746947  
873 C5H7 1,3-pentadienyl radical pdyl  
874 C5H7 cyclopentenyl radical cpyl  
875 C5H8 1,2-Butadiene, 3-methyl- c598254  
876 C5H8 1,2-Pentadiene c591957  
877 C5H8 1,3-Butadiene, 2-methyl- c78795  
878 C5H8 1,3-Pentadiene, (E)- c2004708  
879 C5H8 1,3-Pentadiene, (Z)- c1574410  
880 C5H8 1,4-Pentadiene c591935  
881 C5H8 1-pentyne a1pentyne  
882 C5H8 2,3-Pentadiene c591968  
883 C5H8 Cyclobutane, methylene- c1120565  
884 C5H8 Cyclopentene c142290  
885 CH3CCCH2CH3 2-Pentyne 2pentyne  
886 C5H10 1-Butene, 2-methyl- c563462  
887 C5H10 2-Butene, 2-methyl- c513359  
888 C5H10 2-Pentene, (E)- c646048  
889 C5H10 2-Pentene, (Z)- c627203  
890 C5H10 Cyclopentane c287923  
891 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
892 CH2CHCH2CH2CH3 1-pentene pentene  
893 C5H11 2-Methylbut-2-yl radical c4348350  
894 C5H12 Butane, 2-methyl- buta2  
895 C5H12 Pentane pentane  
896 C5H12 Propane, 2,2-dimethyl- neopentane  
897 Si(CH3)4 tetramethylsilane tms  
898 N2O3 Dinitrogen trioxide n2o3  
899 C3H2N2 Malononitrile c3h2n2  
900 C2H3N3 1H-1,2,4-Triazole c288880  
901 C3H4N2 1H-Pyrazole 1hpyraz  
902 C4H5N (E)-2-Butenenitrile c627269  
903 C4H5N (Z)-2-Butenenitrile c1190767  
904 C4H5N 2H-pyrrole pyrrole2  
905 C4H5N 3H-pyrrole pyrrole3  
906 C4H5N Cyclopropanecarbonitrile c5500210  
907 CH2CHCH2CN Allylcyanide ch2chch2cn  
908 C3H6N2 3-Aminopropionitrile c151188  
909 C5H8 Bicyclo[2.1.0]pentane c185944  
910 C5H8 Spiropentane c157404  
911 C4H9N Cyclobutylamine cbam  
912 C4H9N Pyrrolidine pyrrolidine  
913 C3H10N2 1,2-Diaminopropane diampr12  
914 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
915 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
916 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
917 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
918 NC4H12+ tetramethyl ammonium cation nc4h12+  
919 C3O2+ Carbon suboxide cation c3o2+  
920 B2O3 diboron trioxide b2o3  
921 CaCO3 Calcium Carbonate caco3  
922 PO4--- phosphate po4---  
923 SO4-- sulfate so4--  
924 HOONO2 peroxy nitric acid hoono2  
925 HSO4- bisulfate anion hso4-  
926 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
927 C3H2O2 Propiolic acid c3h2o2  
928 CHOCOOH oxo acetic acid oaa  
929 H2SO4 Sulfuric acid h2so4  
930 H2SeO4 Selenic acid h2seo4  
931 C3H3NO Isoxazole isox  
932 C3H3NS Thiazole thiazole  
933 CH3C(O)OO acetyl peroxy radical ch3coo2  
934 CH3NO3 Methyl nitrate ch3no3  
935 H3PO4 Phosphoric Acid h3po4  
936 C4H4O Furan furan  
937 C4H4O+ Furan cation furan+  
938 C4H4S Thiophene furans  
939 C3H4O2 β–Propiolactone beta  
940 C3H4O2 2-Propenoic acid propenoic2  
941 C3H4O2 Methyl glyoxal megly  
942 C3H4O2 propanedial propanedial  
943 C3H4O2 propenalol propenalol  
944 HOCHCCHOH allenediol aldiol  
945 C2H4O3 1,2,3-trioxolane c2h4o3  
946 C2H4O3 trioxolane124 triox  
947 HOCH2COOH Hydroxyacetic acid hac  
948 CH2CHCONH2 Acrylamide c79061  
949 CH5N3S Hydrazinecarbothioamide c79196  
950 H2NCH2COOH Glycine glycine  
951 C4H6O cis-2-butenal butenal2c  
952 C4H6O Cyclobutanone cbutone  
953 C4H6O Furan, 2,3-dihydro- furan23h  
954 C4H6O Furan, 2,5-dihydro- furan25h  
955 CH2CHOCHCH2 Vinyl ether vinylether  
956 CHOCHCHCH3 2-Butenal butenal2  
957 C4H6S Thiophene, 2,3-dihydro- thiop23h  
958 C4H6S Thiophene, 2,5-dihydro- thiop25h  
959 C2H6N2O Urea, methyl- c598505  
960 C3H6O2 1,3-Dioxolane dioxolane  
961 CH3CH2COOH Propanoic Acid propanoic  
962 CH3COOCH3 methyl acetate aame  
963 CH3SSSCH3 dimethyl trisulfide c2h6s3  
964 C3H7NO dimethylformamide dmf  
965 C3H7NO Propanamide propanam  
966 C2H3OC2H5 Ethene, ethoxy- c109922  
967 C4H8O Cyclobutanol c2919235  
968 C4H8O Furan, tetrahydro- thf  
969 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
970 CH3COCH2CH3 2-Butanone buta2one  
971 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
972 CHOCH2CH2CH3 Butanal butanal  
973 C3H8O2 1,3-Propanediol c504632  
974 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
975 C3H8O2 Methane, dimethoxy- c109875  
976 C3H8O2 Propylene glycol c57556  
977 C3H8S2 1,3-Propanedithiol c109808  
978 C4H10O 1-Butanol butanol1  
979 C4H10O 1-Propanol, 2-methyl- c78831  
980 C4H10O 2-Butanol, (.+/-.)- butanol2  
981 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
982 C4H10O Ethoxy ethane etoet  
983 C4H10O Propane, 2-methoxy- c598538  
984 C4H10O+ 1-Butanol cation butanol1+  
985 C2H5SC2H5 Diethyl sulfide etset  
986 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
987 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
988 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
989 FNO3 Fluorine nitrate fno3  
990 ClONO2 Chlorine nitrate clono2  
991 TiCl4 Titanium tetrachloride ticl4  
992 ClO4- perchlorate anion clo4-  
993 BF4- tetrafluoroboron anion bf4-  
994 ClFO3 Perchloryl fluoride clfo3  
995 SO2F2 Sulfuryl fluoride so2f2  
996 SO2Cl2 Sulfuryl chloride so2cl2  
997 F3NO Nitrogen trifluoride oxide f3no  
998 F3PO Phosphoryl fluoride pf3o  
999 Cl3PO Phosphoryl chloride pcl3o  
1000 CF4 Carbon tetrafluoride cf4  
1001 CF3Cl Methane, chlorotrifluoro- cf3cl  
1002 SiF4 Silicon tetrafluoride sif4  
1003 CF2Cl2 difluorodichloromethane cf2cl2  
1004 CFCl3 Trichloromonofluoromethane cfcl3  
1005 GeF4 Germanium tetrafluoride gef4  
1006 CCl4 Carbon tetrachloride ccl4  
1007 CCl4+ Carbon tetrachloride cation ccl4+  
1008 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1009 SiCl4 Silane, tetrachloro- sicl4  
1010 CF3I trifluoroiodomethane cf3i  
1011 CBrCl3 Methane, bromotrichloro- cbrcl3  
1012 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1013 GeCl4 Germanium Tetrachloride gecl4  
1014 CCl3I trichloroiodomethane ccl3i  
1015 CFClBrI fluorochlorobromoiodomethane cfclbri  
1016 CF2I2 difluorodiiodomethane cf2i2  
1017 CBr4 Carbon tetrabromide cbr4  
1018 CCl2I2 dichlorodiiodomethane ccl2i2  
1019 CBr3I tribromoiododmethane cbr3i  
1020 GeBr4 Germanium tetrabromide gebr4  
1021 CI4 tetraiodomethane ci4  
1022 SiI4 silicon tetraiodide sii4  
1023 SCl4 Sulfur tetrachloride scl4  
1024 C2HF3 Trifluoroethylene c2hf3  
1025 C2HF3+ Trifluoroethylene cation c2hf3+  
1026 CHClCCl2 Trichloroethylene chclccl2  
1027 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1028 HClO4 perchloric acid hclo4  
1029 HSO3F Fluorosulfonic acid hso3f  
1030 CF3OH trifluoromethanol cf3oh  
1031 CHClCCHCl 1,3-dichloroallene chclcchcl  
1032 CHCl2CHO dichloroacetaldehyde chcl2cho  
1033 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1034 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1035 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1036 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1037 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1038 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1039 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1040 NH3BCl3 Amminetrichloroboron nh3bcl3  
1041 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1042 C3H5ClO Oxirane, (chloromethyl)- c106898  
1043 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1044 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1045 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1046 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1047 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1048 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1049 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1050 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1051 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1052 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1053 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1054 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1055 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1056 C4H9F 1-fluorobutane butaf1  
1057 CH3CHFCH2CH3 2-fluorobutane butaf2  
1058 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1059 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1060 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1061 XeF4 Xenon tetrafluoride xef4  
1062 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1063 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1064 C6H4 Benzyne benzyne  
1065 C6H5 phenyl phenyl  
1066 C6H5- phenyl anion phenyl-  
1067 C6H6 2,4-Hexadiyne hexadiyne  
1068 C6H6 3,4-Dimethylenecyclobutene cb34m  
1069 C6H6 Benzene benzene  
1070 C6H6 Trimethylenecycopropane tmcp  
1071 C6H6+ Benzene cation c6h6+  
1072 C6H8 (E)-hexa-1,3,5-triene c821078  
1073 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1074 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1075 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1076 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1077 C6H8 3-Methylenecyclopentene c930267  
1078 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1079 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1080 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1081 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1082 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1083 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1084 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1085 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1086 C6H10 1-Hexyne hexyne1  
1087 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1088 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1089 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1090 C6H10 2-Hexyne c764352  
1091 C6H10 cyclohexene cyclohexene  
1092 C6H10 Cyclopentene, 1-methyl- c693890  
1093 C6H10 Cyclopentene, 3-methyl- c1120623  
1094 C6H10 Cyclopentene, 4-methyl- c1759815  
1095 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1096 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1097 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1098 C6H12 (E)-2-Hexene e2hexene  
1099 C6H12 (E)-3-methylpent-2-ene c616126  
1100 C6H12 (E)-hex-3-ene e3hexene  
1101 C6H12 (Z)-3-methylpent-2-ene c922623  
1102 C6H12 (Z)-hex-2-ene z2hexene  
1103 C6H12 (Z)-hex-3-ene z3hexene  
1104 C6H12 2,3-dimethyl-but-2-ene tmeet  
1105 C6H12 3-methylenepentane c760214  
1106 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1107 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1108 C6H12 Cyclohexane cyclohexane  
1109 C6H12 Cyclopentane, methyl- c96377  
1110 C6H12 Ethylcyclobutane c4806615  
1111 C6H14 Butane, 2,2-dimethyl- buta22  
1112 C6H14 Butane, 2,3-dimethyl- buta23  
1113 C6H14 Hexane hexane  
1114 C6H14 Pentane, 2-methyl- penta2  
1115 C6H14 Pentane, 3-methyl- penta3  
1116 C4N2 2-Butynedinitrile c4n2  
1117 C2H2N4 sym-tetrazine ttz  
1118 C3H3N3 1,3,5-Triazine triazine135  
1119 CH3N5 5-Aminotetrazole c4418615  
1120 C4H4N2 1,3-Diazine diazine13  
1121 C4H4N2 Pyrazine pyrazine  
1122 C4H4N2 Pyridazine pyridazine  
1123 C4H4N2 Succinonitrile c110612  
1124 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1125 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1126 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1127 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1128 C5H5N E-2,4-pentadienenitrile bdcn  
1129 C5H5N Pyridine pyridine  
1130 B3N3H6 borazine borazine  
1131 C6H6 Fulvene fulvene  
1132 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1133 C5H7N (E)-2-Pentenenitrile c26294984  
1134 C5H7N (E)-3-Pentenenitrile c16529661  
1135 C5H7N (Z)-2-Pentenenitrile c25899507  
1136 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1137 C5H7N Cyclobutanecarbonitrile c4426113  
1138 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1139 C5H9N Butanenitrile, 2-methyl- c18936179  
1140 C5H9N Pentanenitrile c110598  
1141 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1142 C6H10 Bicyclo[3.1.0]hexane c285585  
1143 C5H11N Cyclopentanamine cypentam  
1144 C5H11N Piperidine piper  
1145 C4H12N2 1,2-Butanediamine c4426486  
1146 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1147 Li2CO3 Lithium Carbonate li2co3  
1148 Na2CO3 Sodium Carbonate na2co3  
1149 C2O4-- oxalate anion c2o4  
1150 N2O4 Dinitrogen tetroxide n2o4  
1151 C2H3NO3 Oxamic acid oxamic  
1152 C4H4O2 2(5H)-Furanone furanone  
1153 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1154 C2H4N2O2 Oxalamide oxalamide  
1155 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1156 C3H4S3 1,3-Dithiolane-2-thione c822388  
1157 C2H4O4 Formic acid dimer fadimer  
1158 C4H5NO 3-Methylisoxazole isox3m  
1159 C4H5NO Isoxazole, 5-methyl- c5765446  
1160 C4H5NS 4-Methylthiazole c693958  
1161 C5H6O 2-methylfuran furan2m  
1162 C5H6O 3-Methylfuran furan3m  
1163 C5H6S Thiophene, 2-methyl- c554143  
1164 C5H6S Thiophene, 3-methyl- c616444  
1165 C4H6O2 2,3-Butanedione c431038  
1166 C4H6O2 2-Propenoic acid, methyl ester c96333  
1167 C4H6O2 Crotonic Acid crot  
1168 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1169 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1170 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1171 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1172 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1173 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1174 C4H6OS Vinyl sulfoxide c1115157  
1175 CH6N4S Carbonothioic dihydrazide thiacarb  
1176 C2H6N2O2 (E)-Azodioxymethane c37765154  
1177 C2H6N2O2 Dimethylnitroamine c4164287  
1178 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1179 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1180 C4H7NO 2-Pyrrolidinone c616455  
1181 C4H7NO Ethoxyacetonitrile etoaccn  
1182 C4H7NO Methacrylamide c79390  
1183 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1184 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1185 C3H7ONO Propyl nitrite prono  
1186 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1187 CH3CH(NH2)COOH Alanine alanine  
1188 CH3NHCH2COOH Sarcosine sarcosine  
1189 NH2CH2CH2COOH β–alanine betaalanine  
1190 NH2COOC2H5 Urethane urethane  
1191 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1192 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1193 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1194 NH2CONHC2H5 Urea, ethyl- c625525  
1195 C4H8O2 1,3-Dioxane dioxan13  
1196 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1197 C4H8O2 1,4-Dioxane dioxan14  
1198 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1199 C4H8OS s-Ethyl thioacetate c625605  
1200 C3H8O3 1,2,3-Propanetriol glycerin  
1201 C3H8O2S (Methylsulfonyl)ethane c594434  
1202 C4H9NO Butanamide c541355  
1203 C4H9NO Propanamide, 2-methyl- c563837  
1204 C5H10O 2-Butanone, 3-methyl- c563804  
1205 C5H10O 2H-Pyran, tetrahydro- c142687  
1206 C5H10O 2-Pentanone mpk  
1207 C5H10O Cyclopentanol c96413  
1208 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1209 C5H10O Pentanal pal  
1210 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1211 C5H10S 3-Ethylthio-1-propene c5296628  
1212 C5H10S Cyclopentanethiol c1679078  
1213 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1214 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1215 C4H10O2 1,1-Dimethoxyethane c534156  
1216 C4H10O2 1,3-Butanediol budiol13  
1217 C4H10O2 1,4-Butanediol budiol14  
1218 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1219 C4H10OS Diethyl sulfoxide c70291  
1220 C4H10S2 1,4-Butanedithiol budisl14  
1221 C4H11NO Diethylhydroxylamine c3710847  
1222 C5H12O 1-Butanol, 2-methyl- c137326  
1223 C5H12O 1-Butanol, 3-methyl- c123513  
1224 C5H12O 1-Pentanol pentanol1  
1225 C5H12O 2-Butanol, 3-methyl- c598754  
1226 C5H12O 2-Pentanol peol2  
1227 C5H12O 3-Pentanol pentan3ol  
1228 C5H12O Butane, 1-methoxy- meobu  
1229 C5H12O Propane, 1-ethoxy- proet  
1230 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1231 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1232 C5H12S 1-Butanethiol, 3-methyl- c541311  
1233 C5H12S 1-Pentanethiol c110667  
1234 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1235 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1236 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1237 C5H12S Butane, 1-(methylthio)- c628295  
1238 C5H12S Ethyl propyl sulfide c4110503  
1239 C5H12S Propane, 2-(ethylthio)- c5145993  
1240 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1241 CF3CN Acetonitrile, trifluoro- cf3cn  
1242 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1243 B2F4 Diboron tetrafluoride b2f4  
1244 C2F4 Tetrafluoroethylene c2f4  
1245 C2F4+ Tetrafluoroethylene cation c2f4+  
1246 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1247 C2FCl3 fluorotrichloroethene c2fcl3  
1248 C2Cl4 Tetrachloroethylene c2cl4  
1249 C2Br4 tetrabromoethene c2br4  
1250 PF5 Phosphorus pentafluoride pf5  
1251 AsF5 Arsenic pentafluoride asf5  
1252 PCl5 Phosphorus pentachloride pcl5  
1253 SF5 Sulfur pentafluoride sf5  
1254 SbCl5 Antimony pentachloride sbcl5  
1255 BrF5 bromine pentafluoride brf5  
1256 ClF5 chlorinepentafluoride clf5  
1257 IF5 pentafluoroiodine if5  
1258 CF3CHO trifluoroacetaldehyde cf3cho  
1259 CCl3CHO trichloroacetaldehyde ccl3cho  
1260 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1261 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1262 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1263 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1264 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1265 CF3COOH trifluoroacetic acid cf3cooh  
1266 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1267 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1268 C4H8Cl2 1,4-Dichlorobutane c110565  
1269 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1270 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1271 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1272 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1273 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1274 C5H11Cl Pentane, 1-chloro- pencl1  
1275 C6H5CH2 benzyl radical benzyl  
1276 C6H5CH3 toluene toluene  
1277 C7H8 cycloheptatriene cht  
1278 C7H8 Norbornadiene norbor  
1279 C7H8 Quadricyclane qucy  
1280 C7H12 Norbornane nor  
1281 C7H14 cycloheptane c7h14  
1282 C7H16 2-methylhexane 2mhex  
1283 C7H16 3-methylhexane hex3m  
1284 C7H16 heptane heptane  
1285 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1286 C6H7N 2-Methylpyridine mp  
1287 C6H5NH2 aniline aniline  
1288 C6H13N 2-Methylpiperidine pip2m  
1289 C6H13N cyclohexanamine cham  
1290 C6H15N triethylamine tea  
1291 N2O5 Dinitrogen pentoxide n2o5  
1292 C4H2O3 Maleic Anhydride malan  
1293 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1294 C5H4O2 furfural furfural  
1295 C6H5O phenoxy radical phenoxy  
1296 C5H5NO 2(1H)-Pyridinone c72762006  
1297 C5H5NO 2(3H)-Pyridinone c9000048  
1298 C5H5NO 2(5H)-Pyridinone c9000037  
1299 C5H5NO 2-Pyridinol c109104  
1300 C5H5NO 3(2H)-Pyridinone c9000004  
1301 C5H5NO 3(4H)-Pyridinone c9000026  
1302 C5H5NO 3(6H)-Pyridinone c9000015  
1303 C5H5NO 3-Pyridinol c109002  
1304 C5H5NO 4(1H)-Pryidinone c9000060  
1305 C5H5NO 4(3H)-Pryidinone c9000059  
1306 C5H5NO 4-Pyridinol c626642  
1307 C6H5OH phenol phenol  
1308 C6H6O 2,4-Cyclohexadienone c24599573  
1309 C6H5SH Benzenethiol phsh  
1310 HO2CCHNH2CH2OH Serine serine  
1311 C4H8O2S Sulfolane sulfolane  
1312 C7H10 Norbornene norbornene  
1313 CH(C2H3)3 trivinyl methane tvm  
1314 C6H10O cyclohexanone chexo  
1315 C6H12O hexanal c6h12o  
1316 C3H7OC3H7 di-n-propyl ether propr  
1317 CF3COCl trifluoroacetyl chloride cf3cocl  
1318 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1319 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1320 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1321 CCl3CHCl2 pentachloroethane ccl3chcl2  
1322 C6H5F Fluorobenzene bzf  
1323 C6H5Cl chlorobenzene bzcl  
1324 C6H5Br bromobenzene bzbr  
1325 C8H6 Calicene calicene  
1326 C6H5CCH phenylacetylene phac  
1327 C8H6 benzocyclobutadiene bcbd  
1328 C8H6 Pentalene pentalene  
1329 C6H5CHCH2 Styrene styrene  
1330 C8H8 cubane cubane  
1331 C8H8 cyclooctatetraene cot  
1332 C6H5CH2CH3 Ethylbenzene etbz  
1333 CH3C6H4CH3 meta-xylene mxylene  
1334 CH3C6H4CH3 paraxylene pxylene  
1335 C8H16 cyclooctane cyclooct  
1336 C8H18 Octane c8h18  
1337 C6H5CN phenyl cyanide phcn  
1338 C4O4-- squarate dianion c4o4--  
1339 S8 Octasulfur s8  
1340 C6H4O2 parabenzoquinone pbq  
1341 C4H4N2O2 Uracil uracil  
1342 C6H5CHO benzaldehyde benzal  
1343 C6H5OCH3 Anisole anisole  
1344 C6H12O2 Methyl pivalate c598981  
1345 C6H12O2 Hexanoic acid hexa  
1346 C4F4 tetrafluorcyclobutadiene c4f4  
1347 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1348 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1349 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1350 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1351 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1352 C2F6 hexafluoroethane c2f6  
1353 C2Cl6 hexachloroethane c2cl6  
1354 IF7 Iodine heptafluoride if7  
1355 C6H4F2 metadifluorobenzene mdfb  
1356 C6H4F2 orthodifluorobenzene odfb  
1357 C6H4F2 1,4-difluorobenzene pdfb  
1358 C6H4Cl2 1,2-dichlorobenzene dcb12  
1359 C6H4Cl2 1,3-dichlorobenzene dcb13  
1360 C9H8 Indene indene  
1361 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1362 C9H12 n-propyl benzene prbz  
1363 C9H20 Nonane nonane  
1364 C5H4N4 purine purine  
1365 C8H7N Indole indole  
1366 C3H3N3O3 cyanuric acid cyanuric  
1367 C6H5NO2 Nitrobenzene c6h5no2  
1368 C6H5COOH benzoic acid benzo  
1369 CH3COC6H5 acetophenone acph  
1370 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1371 C6H3F3 Benzene trifluoride 123 bzf3a  
1372 C10H10 bullvalene bullv  
1373 C10H16 adamantane adamantane  
1374 C6N4 Tetracyanoethylene tcne  
1375 C6N4- tetracyanoethylene anion tcne-  
1376 C10H22 Decane decane  
1377 C4F6 perfluorobutadiene c4f6  
1378 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1379 C3F8 perfluoropropane c3f8  
1380 Fe(CO)5 Iron pentacarbonyl ipc  
1381 Fe(C5H5)2 ferrocene fecp2  
1382 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1383 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1384 C12H8 Acenaphthylene acenaph  
1385 C12H10 biphenyl biphenyl  
1386 C12H10 Heptalene heptalene  
1387 C6H12O6 Inositol inositol  
1388 C6F6 hexafluorobenzene c6f6  
1389 C13H10 Fluorene fluorene  
1390 C14H10 Anthracene anth  
1391 C14H10 Phenanthrene phenanthrene  
1392 C14H14 Bibenzyl bibenzyl  
1393 C12H10N2 azobenzene azobenzene  
1394 C6H5COC6H5 benzophenone benzophenone  
1395 C16H10 Pyrene pyrene  
1396 C18H12 Tetracene tetracene  
1397 C19H16 Triphenylmethane tpm  
1398 C24H12 Coronene coronene  
1399 C60 Buckminsterfullerene c60