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List of which calculations are completed at B97D3 /cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li- Lithium atom anion 1SKh
11 LiH+ lithium hydride cation 2ΣC∞v
12 MgH magnesium monohydride 2ΣC∞v
13 ZnH+ Zinc, protonated   
14 BeH2+ Beryllium dihydride cation   
15 MgH2 magnesium dihydride 1ΣgD∞h
16 Al- Aluminum atom anion 3PKh
17 Al+ Aluminum atom cation 1SKh
18 Ga Gallium atom 2P 
19 Ga- Gallium atom anion 3POh
20 Ga+ Gallium atom cation 1S 
21 GaH Gallium monohydride 1ΣC∞v
22 GaH+ Gallium monohydride cation 2ΣC∞v
23 BH3+ boron trihydride cation 2B2C2v
24 BH3+ boron trihydride cation  C2v
25 AlH3- aluminum trihydride anion  C3v
26 BH4- borohydride anion 1A1Td
27 C Carbon atom 3P0Kh
28 Si- Silicon atom anion 4SKh
29 Ge Germanium atom 3PKh
30 Ge- Germanium anion 4SKh
31 Ge+ Germanium cation 2PKh
32 CH Methylidyne 2Π1/2C∞v
33 SiH Silylidyne 2ΠC∞v
34 GeH germylidene 2ΠC∞v
35 CH2- methylene anion 2B1C2v
36 GeH2 germylene 1A1C2v
37 CH3 Methyl radical 2A1D3h
38 SiH3 Silyl radical 2A1C3v
39 SiH3+ Silyl cation 1A1'D3h
40 GeH3 Germyl radical 2A1C3v
41 GeH3+ germyl cation 1A1'D3h
42 CH4 Methane 1A1Td
43 SiH2D2 silane-d2   
44 SiH4 Silane 1A1Td
45 GeH4 Germane 1A1Td
46 SiH5+ Silane, protonated   
47 N Nitrogen atom 4SKh
48 P Phosphorus atom 4SKh
49 V+ Vanadium atom cation 5DKh
50 As Arsenic atomic 4SKh
51 As- Arsenic anion 3PKh
52 As+ Arsenic cation 3PKh
53 PH phosphorus monohydride 3Σ-C∞v
54 AsH Arsenic monohydride 3ΣC∞v
55 NH2 Amino radical 2B1C2v
56 NH2+ Amino cation 3B1C2v
57 NH2+ Amino cation 1A1C2v
58 NH3 Ammonia 1A1C3v
59 PH3 Phosphine 1A1C3v
60 PH3+ Phosphine cation 2A1C3v
61 AsH3 Arsine 1A1C3v
62 AsH3+ Arsine cation 2A1C3v
63 AsH4+ Arsonium   
64 NH4 Ammonium radical   
65 NH4+ ammonium cation 1A1Td
66 PH4 Phosphoranyl radical   
67 PH4+ phosphonium cation   
68 O Oxygen atom 3SKh
69 S Sulfur atom   
70 Se Selenium atom 3PKh
71 Se- Selenium atom anion 2PKh
72 Se+ Selenium atom cation 4SKh
73 OH Hydroxyl radical 2ΠC∞v
74 OH- hydroxide anion 1ΣC∞v
75 OH+ hydoxyl cation 3ΣC∞v
76 HS- mercapto anion 1ΣC∞v
77 HS+ sulfur monohydride cation 3ΣC∞v
78 CrH Chromium hydride 6ΣC∞v
79 CrH+ Chromium hydride cation 5ΣC∞v
80 HSe Selenium monohydride 2ΠC∞v
81 HSe- selenium monohydride anion 1ΣC∞v
82 HSe+ selenium monohydride cation 3ΣC∞v
83 H2O Water 1A1C2v
84 H2O- water anion 2A1C2v
85 H2O- water anion 2A'Cs
86 H2O+ water cation 2B1C2v
87 HDO Water-d1 1A1C2v
88 H2S Hydrogen sulfide 1A1C2v
89 H2S+ Hydrogen sulfide cation 2B1C2v
90 H2Se Hydrogen selenide 1A1C2v
91 H2Se+ Hydrogen selenide cation 2B1C2v
92 H3O+ hydronium cation 1A1C3v
93 H3S+ Sulfonium cation 1A1C3v
94 H3Se+ Hydrogen Selenide, protonated 1A1C3v
95 F Fluorine atom 2PKh
96 F- Fluorine atom anion 1SKh
97 F+ Fluorine atom cation 3SKh
98 F+ Fluorine atom cation 1DKh
99 Cl Chlorine atom 2PKh
100 Cl- Chlorine atom anion 1SKh
101 Cl+ Chlorine atom cation 3PKh
102 Cl+ Chlorine atom cation 1DKh
103 Br Bromine atom 2PKh
104 Br- Bromine atom anion 1SKh
105 Br+ Bromine atom cation 3PKh
106 HF Hydrogen fluoride 1ΣC∞v
107 HF- hydrogen fluoride anion 2ΣC∞v
108 HF+ hydrogen fluoride cation 2ΠC∞v
109 HCl Hydrogen chloride 1ΣC∞v
110 HCl- hydrogen chloride anion 2ΣC∞v
111 HCl+ hydrogen chloride cation 2ΠC∞v
112 HBr hydrogen bromide 1ΣC∞v
113 HBr- hydrogen bromide anion 2ΣC∞v
114 HBr+ hydrogen bromide cation 2ΠC∞v
115 H2Cl+ dihydrogen monochloride cation 1A1C2v
116 H2Br+ protonated hydrogen bromide 2A1C2v
117 Ne Neon atom   
118 Kr Krypton atom 1SKh
119 Kr+ Krypton cation 2PKh
120 HeLi+ Helium Lithium cation   
121 ArH+ Argon hydride cation 1ΣC∞v
122 KrH+ Protonated Krypton 1ΣC∞v
123 NaLi lithium sodium 1ΣC∞v
124 Na2 Sodium diatomic 1ΣgD∞h
125 Na2- sodium diatomic anion 2ΣuD∞h
126 Na2+ sodium diatomic cation 2ΣgD∞h
127 LiAl Lithium Aluminum   
128 NaAl Sodium aluminum 1ΣC∞v
129 HBBH Diborane(2) 3ΣGD∞h
130 B2H4 Diborane(4) D2d 1A1D2d
131 HBHHBH Diborane(4) C2V 1A1C2v
132 B2H6 Diborane 1AgD2h
133 B2H6+ Diborane cation   
134 CaC Calcium monocarbide   
135 BSi Boron silicide 4ΣC∞v
136 BSi Boron silicide 2ΣC∞v
137 GeC Germanium monocarbide 1ΣC∞v
138 SiGe Silicon Germanium   
139 C2H Ethynyl radical 2ΣC∞v
140 C2H- Ethynyl anion 1ΣC∞v
141 C2H2 Acetylene 1ΣgD∞h
142 C2H2+ acetylene cation 2ΠuD∞h
143 C2H2+ acetylene cation   
144 H2CC- vinylidene anion   
145 HCCH- acetylene anion   
146 HCCH- acetylene anion   
147 Si2H2 disilyne   
148 Si2H2 disilyne   
149 Si2H2 disilyne   
150 Si2H2 disilyne   
151 CH3Li methyl lithium 1A1C3v
152 C2H3 vinyl 2A'Cs
153 C2H3+ vinyl cation 1A1C2V bridging H
154 C2H3+ vinyl cation 1A1C2V HCCH2
155 C2H4 Ethylene 1AgD2h
156 C2H4+ Ethylene cation 2B3D2
157 Si2H4 Disilene   
158 Si2H4 Disilene   
159 Si2H4 Disilene   
160 C2H5 Ethyl radical 2A'Cs
161 C2H6 Ethane 1A1gD3d
162 Si2H6 disilane 1EuD3d
163 LiN Lithium Nitride 3ΣC∞v
164 LiP Lithium monophosphide   
165 LiP Lithium monophosphide   
166 MgN Magnesium Nitride   
167 MgN Magnesium Nitride   
168 GaAs Gallium arsenide 3Π 
169 GaAs Gallium arsenide 1Σ 
170 CN Cyano radical 2ΣC∞v
171 SiP Silicon monophosphide 2ΠC∞v
172 N2 Nitrogen diatomic 1ΣgD∞h
173 N2 Nitrogen diatomic   
174 N2- nitrogen diatomic anion 2ΠgD∞h
175 PN Phosphorus mononitride 1ΣC∞v
176 HCN Hydrogen cyanide 1ΣC∞v
177 HCN+ hydrogen cyanide cation 2ΠC∞v
178 HNC+ hydrogen isocyanide cation   
179 HCP+ Phosphaethyne cation   
180 NNH+ Dinitrogen monohydride cation 1ΣC∞v
181 LiNH2 lithium amide   
182 HBNH Boranimine 1ΣC∞v
183 H2NN Isodiazene   
184 N2H2+ trans-diazene cation 2AGC2h
185 CH2NH Methanimine 1A'Cs
186 CH2NH+ Methanimine cation   
187 CHNH2 aminomethylene   
188 CHNH2+ Aminocarbene cation   
189 BH2NH2 Boranamine   
190 N2H4 Hydrazine 1AC2
191 CH3NH2 methyl amine 1A'Cs
192 SiH3NH2 Silane, amino   
193 N2H5+ protonated hydrazine 1A'Cs
194 BH3PH3 borane phosphine   
195 BH3NH3 borane ammonia 1A1C3v
196 CH3NH3 methyl ammonium radical 2A1C3v
197 N2H7+ ammonia ammonium dimer   
198 LiSe Lithium monoselenide   
199 CaO Calcium monoxide 1ΣC∞v
200 BO boron monoxide 2ΣC∞v
201 GaO Gallium monoxide 2ΣC∞v
202 GaS Gallium monosulfide   
203 CO Carbon monoxide 1ΣC∞v
204 CO- carbon monoxide anion 2ΠC∞v
205 CO+ carbon monoxide cation 2ΣC∞v
206 SiO Silicon monoxide 1ΣC∞v
207 SiS silicon monosulfide 1ΣC∞v
208 CSe Carbon monoselenide 1ΣC∞v
209 GeO Germanium monoxide 1ΣC∞v
210 SiSe Silicon Monoselenide   
211 SiSe+ Silicon Monoselenide cation   
212 GeSe Germanium monoselenide   
213 NO Nitric oxide 2ΠC∞v
214 NO- nitric oxide anion 3ΣC∞v
215 NO+ nitric oxide cation 1ΣC∞v
216 PO Phosphorus monoxide 2ΠC∞v
217 PS phosphorus sulfide 2ΣC∞v
218 NSe Nitrogen monoselenide 2ΠC∞v
219 AsS Arsenic monosulfide 2ΠC∞v
220 PSe Phosphorus monoselenide 2ΠC∞v
221 AsSe Arsenic monoselenide 2ΠC∞v
222 O2 Oxygen diatomic 3ΣgD∞h
223 O2- oxygen diatomic anion 2ΠD∞h
224 O2-- dioxygen dianion   
225 SO Sulfur monoxide 3ΣC∞v
226 SO Sulfur monoxide 1ΣC∞v
227 SO+ sulfur monoxide cation 2ΠC∞v
228 S2 Sulfur diatomic 3ΣgD∞h
229 SeO Selenium monoxide 3ΣC∞v
230 Se2 Selenium diatomic 3ΣgD∞h
231 LiOH lithium hydroxide 1ΣC∞v
232 BeOH beryllium monohydroxide 2A'Cs
233 HBO Boron hydride oxide 1ΣC∞v
234 HBS hydrogen boron sulfide 1ΣC∞v
235 COH Hydroxymethylidyne   
236 HCO Formyl radical 2A'Cs
237 HCO- formyl anion 1A'Cs
238 HCO+ Formyl cation 1ΣC∞v
239 HNO Nitrosyl hydride 1A'Cs
240 HNO+ Nitrosyl hydride cation 2A'Cs
241 HO2+ Hydroperoxy cation 3A"Cs
242 HSO+ Sulfur Monoxide, S-protonated   
243 SOH Sulfur Hydroxide   
244 SOH+ Sulfur Monoxide, protonated   
245 H2CO Formaldehyde 1A1C2v
246 H2CO- formaldehyde anion 2A'Cs
247 H2CO- formaldehyde anion   
248 H2CO+ formaldehyde cation 2B2C2v
249 H2CS Thioformaldehyde 1A1C2v
250 H2CS- thioformaldehyde anion   
251 H2CS- thioformaldehyde anion   
252 H2CS+ thioformaldehyde cation 2B2C2v
253 H2CSe Selenoformaldehyde   
254 H2O2 Hydrogen peroxide 1AC2
255 H2O2 Hydrogen peroxide 1AgC2h
256 H2OO water oxide   
257 HOSH hydrogen thioperoxide   
258 H2S2 Disulfane 1AC2
259 H2S2+ hydrogen disulfide cation 2BgC2h
260 H2Se2 hydrogen diselenide   
261 CH2OH+ hydroxymethyl cation 1A'Cs
262 CH3O- methoxy anion 1A1C3v
263 NH2OH hydroxylamine 1A'Cs
264 NH2OH+ Hydroxylamine cation   
265 NH2SH Thiohydroxylamine   
266 CH3OH Methyl alcohol 1A'Cs
267 CH3OH+ Methyl alcohol cation 2A"Cs
268 CH3SH Methanethiol 1A'Cs
269 SiH3OH silanol   
270 NH2OH2+ protonated hydroxylamine   
271 NH3OH+ N-protonated hydroxylamine   
272 H5O2+ Dihydroxonium ion 1AC2
273 LiF lithium fluoride 1ΣC∞v
274 LiCl lithium chloride 1ΣC∞v
275 NaF+ sodium fluoride cation 2ΣC∞v
276 LiBr Lithium Bromide 1ΣC∞v
277 LiF+ lithium fluoride cation 2ΠC∞v
278 CaBr Calcium monobromide   
279 BF Boron monofluoride 1ΣC∞v
280 AlF Aluminum monofluoride 1Σ+C∞v
281 GaF Gallium monofluoride 1ΣC∞v
282 AlBr Aluminum monobromide   
283 GaCl Gallium monochloride 1ΣGC∞v
284 GaBr Gallium monobromide   
285 CF Fluoromethylidyne 2ΠC∞v
286 SiCl Clorosilylidyne 2ΠC∞v
287 CBr Carbon monobromide 2ΠC∞v
288 GeF Germanium monofluoride 2ΠC∞v
289 GeF+ Germanium monofluoride cation 1ΣC∞v
290 GeCl Germanium monochloride 2ΠC∞v
291 GeCl+ Germanium monochloride cation   
292 SiBr Silicon monobromide 2ΠC∞v
293 SiBr+ Silicon monobromide cation   
294 NCl nitrogen monochloride 3ΣC∞v
295 AsCl Arsenic monochloride 3ΣC∞v
296 PBr Phosphorus monobromide   
297 ClO Monochlorine monoxide 2ΠC∞v
298 ClO+ chlorine monoxide cation 3ΣC∞v
299 SF Monosulfur monofluoride 2ΠC∞v
300 SF+ sulfur monofluoride cation 3ΣC∞v
301 SCl+ sulfur monochloride cation 3ΣgC∞v
302 BrO Bromine monoxide 2ΠC∞v
303 BrO+ Bromine monoxide cation   
304 SBr Sulfur monobromide radical   
305 SBr+ Sulfur monobromide cation   
306 SeCl Selenium monochloride 2ΠC∞v
307 SeBr Selenium monobromide   
308 BrCl Bromine monochloride 1ΣC∞v
309 F2 Fluorine diatomic 1ΣgD∞h
310 F2- flourine diatomic anion 2ΣuD∞h
311 F2+ flourine diatomic cation 2ΠgD∞h
312 ClF Chlorine monofluoride 1Σ+C∞v
313 ClF+ clorine monofluoride cation 2ΠC∞v
314 Cl2+ chlorine diatomic cation 2ΠgD∞h
315 BrF Bromine monofluoride 1ΣC∞v
316 Br2 Bromine diatomic 1ΣgD∞h
317 Br2- bromine diatomic anion 2ΣuD∞h
318 Br2+ bromine diatomic cation 2ΠgD∞h
319 HCF Fluoromethylene 1A'Cs
320 HCF Fluoromethylene 3A"Cs
321 HSiF fluorosilylene   
322 HSiCl Chlorosilylene   
323 HSiBr monobromosilylene   
324 HOF Hypofluorous acid 1A'Cs
325 HOCl hypochlorous acid 1A'Cs
326 HOCl+ hypochlorous acid cation   
327 F2H+ Fluorine, protonated 1A'Cs
328 ClFH+ Chlorine fluoride, F-protonated   
329 FClH+ Chlorine fluoride, Cl-protonated   
330 Cl2H+ Chlorine, protonated 1A'Cs
331 CH2Br bromomethyl radical   
332 CH2F fluoromethyl radical 2ACs
333 CH2F+ fluoromethyl cation   
334 CH2Cl+ chloromethyl cation   
335 CH2Cl chloromethyl radical 2A'Cs
336 CH2Cl chloromethyl radical 2B1C2v
337 NH2Cl chloramine 1A'Cs
338 CH3F+ methyl fluoride cation   
339 CH3F Methyl fluoride 1A1C3v
340 CH3Cl Methyl chloride 1A1C3v
341 CH3Cl+ Methyl chloride cation   
342 SiH3F monofluorosilane 1A1C3v
343 SiH3Cl chlorosilane 1A1C1
344 CH3Br methyl bromide 1A1C3v
345 GeH3F monofluorogermane   
346 GeH3Cl monochlorogermane   
347 NH3Cl+ protonated monochloroammonia   
348 CH3ClH+ methyl chloride, protonated   
349 NH4Cl Ammonium chloride   
350 LiNe+ Lithium Neon cation   
351 Ar2 Argon diatomic 1SgD∞h
352 C3 carbon trimer 1ΣgD∞h
353 C3 carbon trimer 1A1C2v
354 SiC2 Silicon dicarbide   
355 C3H4 cyclopropene 1A1C2v
356 CH2CCH2 allene 1A1D2d
357 CH3CCH propyne 1A'C3v
358 C3H6 Cyclopropane 1A1'D3h
359 CH2CHCH3 Propene 1A'Cs
360 C3H7 n-Propyl radical 2A"C1
361 C3H7+ cyclopropane, protonated   
362 CH3CHCH3 Isopropyl radical 2AC2
363 CH3CHCH3+ Isopropyl cation 1AC2
364 C3H8 Propane 1A1C2v
365 Si3H8 trisilane   
366 LiCN lithium cyanide 1ΣC*V LiCN
367 ZnCN Zinc monocyanide 2ΣC∞v
368 ZnNC Zinc isocyanide 2ΣC∞v
369 AlCN Aluminum monocyanide   
370 AlNC Aluminum isocyanide   
371 CNN Diazocarbene   
372 N3 azide radical 2ΠgD∞h
373 N3+ azide cation 3ΣC∞v
374 HN3 hydrogen azide 1A'Cs
375 HN3+ Hydrazoic acid cation   
376 HNCNH diiminomethane 1AC2
377 HNNNH+ 1,2-Triazadienium   
378 NH2NN+ hydrazoic acid, protonated   
379 CH3CN Acetonitrile 1A1C3v
380 HCNCH2+ 2H-Azirine cation   
381 NH2CNH+ cyanamide, cn protonated   
382 NH3CN+ cyanamide, amine protonated   
383 C2H6N+ aziridine, protonated 1A1C2v
384 CH3CH2NH2 Ethylamine   
385 Li2O dilithium oxide 1ΣgD∞h
386 Na2O disodium monoxide 1ΣgLinear
387 Na2O disodium monoxide 1A1C2v
388 Na2S Sodium sulfide   
389 Na2S Sodium sulfide   
390 LiO2 Lithium dioxide   
391 NaO2 Sodium superoxide   
392 NCO isocyanato radical 2ΠC∞v
393 N2O Nitrous oxide 1ΣC∞v
394 CO2 Carbon dioxide 1ΣgD∞h
395 OCS Carbonyl sulfide 1ΣC∞v
396 CS2 Carbon disulfide 1ΣgD∞h
397 GeO2 Germanium dioxide 1ΣgD∞h
398 OCSe Carbonyl selenide 1ΣC∞v
399 SCSe Carbon sulfide selenide   
400 NO2 Nitrogen dioxide 2A1C2v
401 NO2+ Nitrogen dioxide cation 1ΣGD∞h
402 NSO sulfinyl amidogen   
403 SNO Nitrogen oxide sulfide   
404 O3 Ozone 1A1Cs
405 SO2 Sulfur dioxide 1A1C2v
406 SSO Disulfur monoxide 1A'Cs
407 S3 Sulfur trimer 1A1C2v
408 S3 Sulfur trimer   
409 SeO2 Selenium dioxide 1A1C2v
410 HCCO ketenyl radical 2ΠC∞v
411 HCCO ketenyl radical 2A"Cs
412 HCNO fulminic acid 1ΣC∞v
413 HOCO Hydrocarboxyl radical 1A'cis
414 HOCO Hydrocarboxyl radical 1A'trans
415 O3H+ protonated ozone 1A'Cs
416 O3H+ protonated ozone   
417 C2H2O Oxirene 1A1C2v
418 CH2CO Ketene 1A1C2v
419 CH2CS Thioketene   
420 Be(OH)2 Beryllium hydroxide   
421 H2COO Dioxymethyl radical 2A'Cs
422 H2COO+ dioxymethyl cation 2A'Cs
423 HCOOH Formic acid 1A'Cs
424 HCOOH Formic acid   
425 BH3CO Borane carbonyl 1A1C3v
426 CH2COH+ ketene, protonated   
427 HOCHNH hydroxymethylimine 1A'CS H all up
428 NHCHSH Methanimidothioic acid   
429 C2H4O Ethylene oxide 1A1C2v
430 C2H4O+ ethylene oxide cation   
431 CH3CHO Acetaldehyde 1A'Cs
432 CH3CHO+ acetaldehyde cation   
433 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
434 C2H4S Thiirane 1A1C2v
435 CH2CHSH Ethenethiol   
436 NH2CHOH+ Formamide, O-protonated   
437 HSCH2SH Methanedithiol   
438 C2H4OH+ ethylene oxide, protonated 1A'Cs
439 CH3CH2OH Ethanol 1A'Cs
440 CH3OCH3 Dimethyl ether 1A1C2v
441 CH3CH2SH ethanethiol 1A'Cs
442 CH3CH2SH ethanethiol 1AC1
443 CH3SCH3 Dimethyl sulfide 1A1C2v
444 CH3SCH3+ dimethyl sulfide cation   
445 CNF iso cyanogen fluoride 1ΣC∞v
446 BrCN Cyanogen bromide 1ΣC∞v
447 FBO Boron monofluoride monoxide   
448 BeBr2 Beryllium bromide   
449 BF2 Boron difluoride radical 2A1C2v
450 FNO Nitrosyl fluoride 1A'Cs
451 ClNO Nitrosyl chloride 1A'Cs
452 FNS Thionitrosyl fluoride 1A'Cs
453 FSN Thiazyl fluoride 1A'Cs
454 OPCl Phosphorus oxychloride   
455 CF2 Difluoromethylene 1A1D∞h
456 CFCl chlorofluoromethylene 1A'Cs
457 SiF2 Silicon difluoride 1A1C2v
458 GeCl2 Germanium dichloride 1A1C2v
459 FOO+ Fluorine dioxide cation   
460 OClO Chlorine dioxide 2B1D∞h
461 OClO- Chlorine dioxide anion 1A'Cs
462 ClSO Sulfur chloride oxide 2A"Cs
463 BrOO Bromine dioxide   
464 OBrO Bromine dioxide radical 2B1C2v
465 PF2 Phosphorus difluoride   
466 PF2+ Phosphorus difluoride cation   
467 FClO chlorosyl fluoride 1A'Cs
468 ClOF Chlorine hypofluorite 1A'Cs
469 SF2 sulfur difluoride 1A1C2v
470 SeF2 Selenium difluoride   
471 SeCl2 Selenium Dichloride   
472 SBr2 Sulfur dibromide   
473 SeBr2 Selenium dibromide   
474 Br3- tribromide anion   
475 SFCl Sulfur chloride fluoride   
476 HCCF Fluoroacetylene 1ΣC∞v
477 CHF2 difluoromethyl radical 2ACs
478 CHF2+ difluoromethyl cation   
479 CHFCl Chlorofluoromethyl radical   
480 CHFCl+ Chlorofluoromethyl cation   
481 CHCl2+ dichloromethyl cation   
482 NHF2 difluoramine   
483 NHCl2 dichloroamine   
484 CH2F2 Methane, difluoro- 1A1C2v
485 SiH2F2 difluorosilane   
486 CH2Cl2 Methylene chloride 1A1C2v
487 CH2BrCl Methane, bromochloro- 1A'Cs
488 CH2Br2 dibromomethane 1A1C2v
489 CH3MgBr Methyl Magnesium Bromide   
490 CH2CHF Ethene, fluoro- 1A'Cs
491 CH2FOH fluoromethanol   
492 C2H5Br Ethyl bromide 1A'Cs
493 C4 Carbon tetramer 3ΣgD∞h
494 C4 Carbon tetramer   
495 C4H4 Tetrahedrane   
496 C4H6 1-Methylcyclopropene 1AC1
497 CH3CH2CH2CH3 Butane 1AgAnti
498 As4 Arsenic tetramer 1A1Td
499 HCCCN+ Cyanoacetylene cation 2ΠC∞v
500 H2CNCN cyanamide, methylene   
501 HNCCNH Ethenediimine   
502 C2H5CN ethyl cyanide 1A'Cs
503 C4H6 Bicyclo[1.1.0]butane 1A1C2v
504 CH7N3 triaminomethane   
505 N(SiH3)3 trisilylamine   
506 C3O Tricarbon monoxide 1ΣC∞v
507 ONNO NO dimer 1Agtrans C2H
508 ONNO NO dimer 1A1cis C2V
509 S2N2 Disulfur dinitride 1AGD2h
510 SO3 Sulfur trioxide 1A1'D3h
511 SO3-- Sulfate dianion   
512 S4 Sulfur tetramer   
513 S4 Sulfur tetramer   
514 S4 Sulfur tetramer   
515 HNO3 Nitric acid 1A'Cs
516 C3H2O Propadienal   
517 C3H2O Propadienal   
518 C2H2O2 Ethanedial 1AgC2h
519 C2H3NO Nitrosoethylene   
520 CH3NCO methylisocyante   
521 CH3NO2 Methane, nitro- 1A'Cs
522 H3AlO3 Aluminum hydroxide   
523 CH2CHCHO Acrolein 1A'Cs
524 CH2CHCHO Acrolein   
525 CH3CH2CHO Propanal 1A'Cs
526 CH3COCH3 Acetone 1A1C2v
527 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
528 C3H7OH 1-Propanol   
529 Li2F2 Lithium fluoride dimer   
530 CF2O Carbonic difluoride 1A1C2v
531 CF2O+ Carbonic difluoride cation   
532 BF3+ boron trifluoride cation   
533 BCl3 Borane, trichloro- 1A1'D3h
534 BCl3+ Boron Trichloride cation   
535 GaF3 Gallium trifluoride 1A1'D3h
536 CF2Cl difluorochloromethyl radical   
537 CFCl2 dichlorofluoromethyl radical   
538 ClO2F Chloryl fluoride 1A'Cs
539 SSCl2 Thiothionyl chloride   
540 NF3 Nitrogen trifluoride 1A1C3v
541 NCl3 nitrogen trichloride 1A1C3v
542 NBr3 Nitrogen Tribromide 1A1C3v
543 HClO3 Chloric Acid 1A'Cs
544 HClO3 Chloric Acid 1AC1
545 CHF3 Methane, trifluoro- 1A1C3v
546 SiHF3 trifluorosilane   
547 CHCl3 Chloroform 1A1C3v
548 CHBrF2 Methane, bromodifluoro- 1A'Cs
549 CHFClBr fluorochlorobromomethane 1AC1
550 CHBrCl2 Methane, bromodichloro- 1A'Cs
551 AsF3H+ Arsenic trifluoride, protonated   
552 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
553 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
554 C2H4F2 1,2-difluoroethane 1AgC2H anti
555 C2H4F2 1,2-difluoroethane 1AC2 gauche
556 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
557 CH2CHCH2F Allyl Fluoride   
558 CH2CHCH2F Allyl Fluoride   
559 CH3CHCHF trans-1-Fluoro-1-propene   
560 CH2FCH2OH 2-fluoroethanol   
561 CH3CHFCH3 2-Fluoropropane 1A'Cs
562 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
563 B5H9 pentaborane9   
564 C5H4 pentatetraene   
565 C5H8 Bicyclo[1.1.1]pentane   
566 C3O2 Carbon suboxide 1ΣGD∞h
567 B2O3 diboron trioxide   
568 B2O3 diboron trioxide   
569 C3H3NO Isoxazole 1A'Cs
570 C4H4O Furan 1A1C2
571 CH2CHSCHCH2 Divinyl sulfide   
572 C4H10O Ethoxy ethane 1A1C2v
573 CF3Cl Methane, chlorotrifluoro- 1A1C3v
574 CF2Cl2 difluorodichloromethane 1A1C2v
575 CF3Br Bromotrifluoromethane 1A1C3v
576 GeF4 Germanium tetrafluoride 1A1Td
577 CCl4 Carbon tetrachloride 1A1Td
578 SF4 Sulfur tetrafluoride 1A1C2v
579 CH2ClCCCl 1,3-dichloropropyne   
580 CHCl2CCH 3,3-dichloropropyne   
581 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
582 C2H2N2O Furazan   
583 C6H6 Benzene 1A1gD6h
584 N2O4 Dinitrogen tetroxide 1AgD2d
585 C3H2O3 vinylene carbonate   
586 C2H4O4 Formic acid dimer 1AGC2h
587 C5H6O 2H-Pyran   
588 C4H6O2 γ–Butyrolactone 1AC1
589 C3H6O3 1,3,5-Trioxane 1A1C1
590 C4H8O2 Ethyl acetate 1A'Cs
591 PF5 Phosphorus pentafluoride 1A1'D3h
592 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
593 C7H7 cycloheptatrienyl radical 2A2C2v
594 C5H4O2 furfural 1A'OCCO cis
595 C5H4O2 furfural 1A'OCCO trans
596 SF6 Sulfur Hexafluoride 1A1GOh
597 C8H8 cubane 1A1GOh

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 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 Li Lithium atom li  
12 Li+ Lithium atom cation li+  
13 Na Sodium atom na  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K Potassium atom k  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu Copper atom cu  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH Lithium Hydride lih  
23 LiH- lithium hydride anion lih-  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH Potassium hydride kh  
28 KH+ Potassium hydrogen cation kh+  
29 CuH Copper monohydride cuh  
30 Be Beryllium atom be  
31 Be- Beryllium atom anion be-  
32 Be+ Beryllium atom cation be+  
33 Mg Magnesium atom mg  
34 Mg- Magnesium atom anion mg-  
35 Mg+ Magnesium atom cation mg+  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH beryllium monohydride beh  
43 BeH- berylium monohydride anion beh-  
44 BeH+ beryllium monohydride cation beh+  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 BeH2 beryllium dihydride beh2  
52 CaH2 Calcium Hydride cah2  
53 ZnH2 Zinc hydride znh2  
54 B Boron atom b  
55 B- Boron atom anion b-  
56 B+ Boron atom cation b+  
57 Al Aluminum atom al  
58 Sc Scandium atom sc  
59 Sc+ Scandium cation sc+  
60 BH Boron monohydride bh  
61 BH- boron monohydride anion bh-  
62 BH+ boron monohydride cation bh+  
63 AlH aluminum monohydride alh  
64 AlH- aluminum monohydride anion alh-  
65 AlH+ aluminum monohydride cation alh+  
66 ScH Scandium monohydride sch  
67 ScH+ Scandium monohydride cation sch+  
68 BH2 boron dihydride bh2  
69 BH2- boron dihydride anion bh2-  
70 BH2+ Boron dihydride cation bh2+  
71 AlH2 aluminum dihydride alh2  
72 AlH2- aluminum dihydride anion alh2-  
73 AlH2+ aluminum dihydride cation alh2+  
74 BH3 boron trihydride bh3  
75 BH3- boron trihydride anion bh3-  
76 AlH3 aluminum trihydride alh3  
77 AlH3+ aluminum trihydride cation alh3+  
78 ScH3 Scandium trihydride sch3  
79 GaH3 Gallium trihydride gah3  
80 BH4 borohydride bh4  
81 AlH4- Aluminum tetrahydride anion alh4-  
82 C- Carbon atom anion c-  
83 C+ Carbon atom cation c+  
84 Si Silicon atom si  
85 Si+ Silicon atom cation si+  
86 Ti Titanium atom ti  
87 Ti- Titanium atom anion ti-  
88 Ti+ Titanium atom cation ti+  
89 Sn Tin atom sn  
90 Sn+ Tin cation sn+  
91 CH- methylidyne anion ch-  
92 CH+ Methylidyne cation ch+  
93 SiH- silicon monohydride anion sih-  
94 SiH+ silicon monohydride cation sih+  
95 GeH+ Germaniun monohyrdide cation geh+  
96 CH2 Methylene ch2  
97 CH2+ methylene cation ch2+  
98 SiH2 silicon dihydride sih2  
99 SiH2- silicon dihydride anion sih2-  
100 SiH2+ silicon dihydride cation sih2+  
101 GeH2- germylene anion geh2-  
102 CH3- methyl anion ch3-  
103 CH3+ methyl cation ch3+  
104 SiH3- Silyl anion sih3-  
105 CD4 methane-d4 cd4  
106 CH2D2 methane-d2 ch2d2  
107 CH3D methane-d ch3d  
108 CH4- Methane anion ch4-  
109 CH4+ Methane cation ch4+  
110 CHD3 methane-d3 chd3  
111 SiH4+ Silane cation sih4+  
112 SnH4 Stannane snh4  
113 N- Nitrogen atom anion n-  
114 N+ Nitrogen atom cation n+  
115 P- Phosphorus atom anion p-  
116 P+ Phosphorus atom cation p+  
117 V Vanadium atom v  
118 Sb Antimony atom sb  
119 NH Imidogen nh  
120 NH- Imidogen anion nh-  
121 NH+ imidogen cation nh+  
122 PH- phosphorus monohydride anion ph-  
123 PH+ phosphorus monohydride cation ph+  
124 AsH+ Arsenic monohydride cation ash+  
125 SbH Antimony monohydride sbh  
126 ND2 Amidogen-d2 nd2  
127 NH2- amino anion nh2-  
128 PH2 Phosphino radical ph2  
129 PH2- Phosphino anion ph2-  
130 PH2+ Phosphino cation ph2+  
131 AsH2 Arsenic dihydride ash2  
132 AsH2+ Arsenic dihydride cation ash2+  
133 ND3 Ammonia-d3 nd3  
134 NH3- Ammonia anion nh3-  
135 NH3+ ammonia cation nh3+  
136 SbH3 Stibine sbh3  
137 O- Oxygen atom anion o-  
138 O+ Oxygen atom cation o+  
139 S Sulfur atom s  
140 S- Sulfur atom anion s-  
141 S+ Sulfur atom cation s+  
142 Cr Chromium atom cr  
143 Te Tellurium atom te  
144 Te+ Tellurium atom cation te+  
145 DO Hydroxyl-d od  
146 DS Mercapto-d ds  
147 HS Mercapto radical hs  
148 TeH Telluryl radical teh  
149 D2O Deuterium oxide d2o  
150 D2S Hydrogen sulfide-d2 d2s  
151 H2S- Hydrogen sulfide anion h2s-  
152 H2Te Hydrogen Telluride h2te  
153 Mn Manganese atom mn  
154 I Iodine atom iodine  
155 I- Iodine atom anion iodine-  
156 I+ Iodine atom cation iodine+  
157 DF Hydrofluoric acid-d df  
158 DCl Hydrochloric acid-d dcl  
159 HI Hydrogen iodide hi  
160 HI+ Hydrogen iodide cation hi+  
161 H2F+ dihydrogen fluoride cation h2f+  
162 H2I+ Iodonium h2i+  
163 Ne Neon atom ne  
164 Ne- Neon atom anion ne-  
165 Ne+ Neon atom cation ne+  
166 Ar Argon atom ar  
167 Ar- Argon atom anion ar-  
168 Ar+ Argon atom cation ar+  
169 Fe Iron atom fe  
170 Xe Xenon atom xe  
171 NeH neon hydrogen neh  
172 NeH+ neon hydrogen cation neh+  
173 XeH+ Xenon, protonated xeh+  
174 H2Ar H2 Ar dimer h2ar  
175 Co Cobalt atom cobalt  
176 Ni Nickel atom ni  
177 Li2 Lithium diatomic li2  
178 Li2- lithium diatomic anion li2-  
179 Li2+ lithium diatomic cation li2+  
180 NaLi- lithium sodium anion lina-  
181 NaLi+ lithium sodium cation lina+  
182 LiK Lithium Potassium lik  
183 NaK Sodium Potassium nak  
184 NaK+ Sodium Potassium diatomic cation nak+  
185 K2 Potassium diatomic k2  
186 Cu2 Copper diatomic cu2  
187 LiBe Lithium Beryllium libe  
188 LiMg Lithium magnesium limg  
189 NaBe Sodium Beryllium nabe  
190 NaMg Sodium Magnesium namg  
191 Be2 Beryllium diatomic be2  
192 Be2- Beryllium diatomic anion be2-  
193 Be2+ Beryllium diatomic cation be2+  
194 BeMg Beryllium Magnesium bemg  
195 Mg2 Magnesium diatomic mg2  
196 Mg2- magnesium diatomic anion mg2-  
197 Mg2+ magnesium diatomic cation mg2+  
198 Ca2 Calcium diatomic ca2  
199 LiB Lithium boride lib  
200 BeB Beryllium monoboride beb  
201 B2 Boron diatomic b2  
202 B2- Boron diatomic anion b2-  
203 B2+ Boron diatomic cation b2+  
204 BAl Boron Aluminum bal  
205 Al2 Aluminum diatomic al2  
206 Al2- aluminum diatomic anion al2-  
207 Al2+ aluminum diatomic cation al2+  
208 BGa Boron Gallium bga  
209 AlGa Aluminum Gallium alga  
210 Ga2 Gallium diatomic ga2  
211 LiBH4 Lithium borohydride libh4  
212 Al2H6 dialane al2h6  
213 Ga2H6 digallane ga2h6  
214 LiC Lithium Carbide lic  
215 BeC Beryllium Carbide bec  
216 BC boron monocarbide bc  
217 BC- boron monocarbide anion bc-  
218 BC+ boron monocarbide cation bc+  
219 AlC Aluminum carbide alc  
220 C2 Carbon diatomic c2  
221 C2- carbon diatomic anion c2-  
222 C2+ carbon diatomic cation c2+  
223 SiC silicon monocarbide sic  
224 SiC- silicon monocarbide anion sic-  
225 SiC+ silicon monocarbide cation sic+  
226 Si2 Silicon diatomic si2  
227 Si2- silcon diatomic anion si2-  
228 Si2+ silcon diatomic cation si2+  
229 Ge2 Germanium diatomic ge2  
230 C2H+ Ethynyl cation c2h+  
231 ZnCH2 Zinc methylene znch2  
232 CCH2 vinylidene vinylidene  
233 CuCH3 monomethyl copper cuch3  
234 ZnCH3 Zinc monomethyl znch3  
235 CH2BH methyleneborane ch2bh  
236 C2H3- vinyl anion c2h3-  
237 C2H4- Ethylene anion c2h4-  
238 CH3CH methylmethylene ch3ch  
239 CH2SiH2 silaethylene ch2sih2  
240 CH3BH2 methylborane ch3bh2  
241 C2H5- Ethyl anion c2h5-  
242 C2H5+ Ethyl cation c2h5+  
243 C2H6+ ethane cation c2h6+  
244 CH3SiH3 methyl silane ch3sih3  
245 GeH3CH3 methyl germane geh3ch3  
246 C2H7+ Ethane, protonated c2h7+  
247 LiN+ Lithium Nitride cation lin+  
248 BeN Beryllium mononitride ben  
249 BeN- Beryllium mononitride anion ben-  
250 BeN+ Beryllium mononitride cation ben+  
251 BN- boron nitride anion bn-  
252 AlN- aluminum mononitride anion aln-  
253 AlN+ aluminum mononitride cation aln+  
254 BP Boron monophosphide bp  
255 AlP Aluminum monophosphide alp  
256 GaN Gallium mononitride gan  
257 GaP Gallium monophosphide gap  
258 BN boron nitride bn  
259 BN+ boron nitride cation bn+  
260 AlN Aluminum nitride aln  
261 CN- cyanide anion cn-  
262 CN+ Cyano cation cn+  
263 CP Carbon monophosphide cp  
264 CP- carbon monophosphide anion cp-  
265 CP+ carbon monophosphide cation cp+  
266 SiN Silicon nitride sin  
267 SiN- silicon mononitride anion sin-  
268 SiN+ silicon mononitride cation sin+  
269 SiP- Silicon monophosphide anion sip-  
270 SiP+ Silicon monophosphide cation sip+  
271 TiN Titanium mononitride tin  
272 N2+ diatomic nitrogen cation n2+  
273 PN- phosphorus nitride anion pn-  
274 PN+ phosphorus nitride cation pn+  
275 P2 Phosphorus diatomic p2  
276 P2- phosphorus diatomic anion p2-  
277 P2+ phosphorus diatomic cation p2+  
278 AsN Arsenic mononitride asn  
279 AsP Arsenic monophosphide asp  
280 SbN Antimony nitride sbn  
281 As2 Arsenic diatomic as2  
282 HNB hydrogen nitrogen boron hnb  
283 HNC hydrogen isocyanide hnc  
284 HCN- Hydrogen cyanide anion hcn-  
285 HCP Phosphaethyne hcp  
286 NNH Dinitrogen monohydride nnh  
287 HPO Hydrogen phosphorus oxide hpo  
288 HPO+ Hydrogen phosphorus oxide cation hpo+  
289 CNH2 Aminomethylidyne radical cnh2  
290 CNH2+ N-protonated hydrogen isocyanide cnh2+  
291 H2CN Dihydrogen cyanide radical h2cn  
292 H2CN+ hydrocyanonium cation h2cn+  
293 HCNH methyleneazane hcnh  
294 HCNH+ N-protonated HCN hcnh+  
295 N2H2 (E)-diazene n2h2  
296 N2H2 (Z)-Diazene n2h2z  
297 CH2PH Phosphaethene ch3p  
298 CH2NH2+ methyleneamine cation ch2nh2+  
299 N2H4+ hydrazine cation n2h4+  
300 P2H4 Diphosphine p2h4  
301 CH3NH2+ methyl amine cation ch3nh2+  
302 CH3PH2 Methyl phosphine ch3ph2  
303 CH3NH3+ protonated methylamine ch3nh3+  
304 CH3PH3+ methyl phosphine, protonated ch3ph3+  
305 NH3NH3 Ammonia Dimer nh3nh3  
306 LiO lithium oxide lio  
307 LiO- lithium oxide anion lio-  
308 LiO+ lithium oxide cation lio+  
309 LiS Lithium monosulfide lis  
310 LiS+ Lithium sulfide cation lis+  
311 NaO sodium monoxide nao  
312 NaO- sodium oxide anion nao-  
313 NaO+ sodium oxide cation nao+  
314 KO Potassium monoxide ko  
315 KO+ Potassium monoxide cation ko+  
316 NaS Sodium sulfide nas  
317 CuO Copper Monoxide cuo  
318 BeO beryllium oxide beo  
319 BeO- Beryllium monoxide anion beo-  
320 BeO+ Beryllium monoxide cation beo+  
321 BeS beryllium sulfide bes  
322 MgO magnesium oxide mgo  
323 MgO- magnesium oxide anion mgo-  
324 MgO+ magnesium oxide cation mgo+  
325 MgS magnesium sulfide mgs  
326 MgS- magnesium sulfide anion mgs-  
327 MgS+ magnesium sulfide cation mgs+  
328 CaS Calcium sulfide cas  
329 ZnO zinc monoxide zno  
330 ZnS Zinc sulfide zns  
331 BeS- Beryllium monosulfide anion bes-  
332 BeS+ Beryllium monosulfide cation bes+  
333 BO- boron monoxide anion bo-  
334 AlO Aluminum monoxide alo  
335 AlO- Aluminum monoxide anion alo-  
336 AlO+ aluminum monoxide cation alo+  
337 BS boron sulfide bs  
338 BS- boron monosulfide anion bs-  
339 BS+ boron monosulfide cation bs+  
340 AlS Aluminum sulfide als  
341 AlS- aluminum monosulfide anion als-  
342 AlS+ aluminum monosulfide cation als+  
343 ScO Scandium monoxide sco  
344 BO+ boron monoxide cation bo+  
345 CS carbon monosulfide cs  
346 CS- carbon monosulfide anion cs-  
347 CS+ carbon monosulfide cation cs+  
348 SiO- silicon monoxide anion sio-  
349 SiO+ silicon monoxide cation sio+  
350 SiS- silicon monosulfide anion sis-  
351 SiS+ silicon monosulfide cation sis+  
352 TiO Titanium monoxide tio  
353 CSe- Carbon monoselenide anion cse-  
354 CSe+ Carbon monoselenide cation cse+  
355 GeO+ Germanium monoxide cation geo+  
356 GeS Germanium monosulfide ges  
357 NS Mononitrogen monosulfide ns  
358 NS- nitrogen sulfide anion ns-  
359 NS+ nitrogen sulfide cation ns+  
360 PO- phosphorus monoxide anion po-  
361 PO+ phosphorus monoxide cation po+  
362 PS- phosphorus monosulfide anion ps-  
363 PS+ phosphorus monosulfide cation ps+  
364 VO Vanadium monoxide vo  
365 AsO Arsenic monoxide aso  
366 O2+ diatomic oxygen cation o2+  
367 SO- sulfur monoxide anion so-  
368 S2- sulfur diatomic anion s2-  
369 S2+ sulfur diatomic cation s2+  
370 SeO- selenium monoxide anion seo-  
371 SeO+ selenium monoxide cation seo+  
372 SeS Selenium monosulfide ses  
373 SeS- selenium monosulfide anion ses-  
374 SeS+ selenium monosulfide cation ses+  
375 TeO Tellurium monoxide teo  
376 Se2- selenium diatomic anion se2-  
377 Se2+ selenium diatomic cation se2+  
378 Te2 Tellurium diatomic te2  
379 NaOH sodium hydroxide naoh  
380 KOH Potassium hydroxide koh  
381 MgOH magnesium hydroxide mgoh  
382 CaOH Calcium monohydroxide caoh  
383 COH+ Carbon Monoxide, protonated coh+  
384 HCS Thioformyl radical hcs  
385 HCS- Thioformyl anion hcs-  
386 HCS+ Thioformyl cation hcs+  
387 HNO- Nitrosyl hydride anion hno-  
388 NOH Hydroxyimidogen noh  
389 NOH+ O-protonated nitric oxide noh+  
390 HNS Sulfur imide hns  
391 HNS- Sulfur imide anion hns-  
392 HO2 Hydroperoxy radical ho2  
393 HO2- Hydroperoxy anion ho2-  
394 HS2 Thiosulfeno radical hs2  
395 HOCH hydroxycarbene hoch  
396 H2NO nitroxide h2no  
397 H2O2+ Hydrogen peroxide cation h2o2+  
398 CH2OH Hydroxymethyl radical ch2oh  
399 CH3O Methoxy radical ch3o  
400 CH3O+ Methoxy cation ch3o+  
401 CH3S thiomethoxy ch3s  
402 H2CSH+ Thioformaldehyde, protonated h2csh+  
403 NH3O Ammonia Oxide nh3o  
404 H2POH Phosphinous acid h2poh  
405 H3PO Phosphine oxide h3po  
406 NH3S sulfidoazane nh3s  
407 H3O2+ hydrogen peroxide, protonated h3o2+  
408 CH3OH- Methyl alcohol anion ch3oh-  
409 CH3SH+ Methanethiol cation ch3sh+  
410 CH3SeH Methane selenol ch3seh  
411 H2OH2O water dimer h2oh2o  
412 CH3OH2+ Methanol, protonated ch3oh2+  
413 CH3SH2+ protonated methylsulfide ch3sh2+  
414 H2ONH3 Water Ammonia Dimer h2onh3  
415 LiCl- lithium chloride anion licl-  
416 LiCl+ lithium chloride cation licl+  
417 NaF sodium fluoride naf  
418 NaF- sodium fluoride anion naf-  
419 KF Potassium Fluoride kf  
420 NaCl Sodium Chloride nacl  
421 NaCl- sodium chloride anion nacl-  
422 NaCl+ sodium chloride cation nacl+  
423 KCl Potassium Chloride kcl  
424 CuF Copper monofluoride cuf  
425 LiBr- lithium bromide anion libr-  
426 LiBr+ lithium bromide cation libr+  
427 CuCl Copper monochloride cucl  
428 NaBr Sodium Bromide nabr  
429 NaBr- sodium bromide anion nabr-  
430 NaBr+ sodium bromide cation nabr+  
431 KBr Potassium Bromide kbr  
432 LiI Lithium Iodide lii  
433 NaI Sodium Iodide nai  
434 KI Potassium Iodide ki  
435 LiF- lithium fluoride anion lif-  
436 BeF Beryllium monofluoride bef  
437 BeF- Beryllium monofluoride anion bef-  
438 BeF+ Beryllium monofluoride cation bef+  
439 BeCl beryllium monochloride becl  
440 MgF Magnesium monofluoride mgf  
441 MgF- magnesium fluoride anion mgf-  
442 MgF+ magnesium fluoride cation mgf+  
443 CaF Calcium monofluoride caf  
444 MgCl magnesium monochloride mgcl  
445 MgCl- magnesium monochloride anion mgcl-  
446 MgCl+ magnesium monochloride cation mgcl+  
447 CaCl calcium monochloride cacl  
448 TiCl Titanium Monochloride ticl  
449 ZnF Zinc monofluoride znf  
450 ZnF- Zinc monofluoride anion znf-  
451 ZnF+ Zinc monofluoride cation znf+  
452 ZnCl Zinc monochloride zncl  
453 BeCl- beryllium monochloride anion becl-  
454 BeCl+ beryllium monochloride cation becl+  
455 BF- Boron monofluoride anion bf-  
456 BF+ Boron monofluoride cation bf+  
457 AlF- Aluminum monofluoride anion alf-  
458 AlF+ Aluminum monofluoride cation alf+  
459 BCl boron monochloride bcl  
460 BCl- boron monochloride anion bcl-  
461 BCl+ boron monochloride cation bcl+  
462 AlCl Aluminum monochloride alcl  
463 AlCl- aluminum monochloride anion alcl-  
464 AlCl+ aluminum monochloride cation alcl+  
465 ScF Scandium monofluoride scf  
466 BBr Boron monobromide bbr  
467 GaF+ Gallium monofluoride cation gaf+  
468 GaCl+ Gallium monochloride cation gacl+  
469 AlI Aluminum monoiodide ali  
470 CF- carbon monofluoride anion cf-  
471 CF+ carbon monofluoride cation cf+  
472 CCl carbon monochloride ccl  
473 CCl- carbon monochloride anion ccl-  
474 CCl+ carbon monochloride cation ccl+  
475 SiF silicon monofluoride sif  
476 SiF- silicon monofluoride anion sif-  
477 SiF+ silicon monofluoride cation sif+  
478 SiCl- silicon monochloride anion sicl-  
479 SiCl+ silicon monochloride cation sicl+  
480 NF nitrogen fluoride nf  
481 NF- nitrogen monofluorine anion nf-  
482 NF+ nitrogen monofluoirde cation nf+  
483 NCl- nitrogen monochloride anion ncl-  
484 NCl+ nitrogen monochloride cation ncl+  
485 PF phosphorus monofluoride pf  
486 PF- phosphorus monofluoride anion pf-  
487 PF+ phosphorus monofluoride cation pf+  
488 PCl phosphorus chloride pcl  
489 PCl- phosphorus monochloride anion pcl-  
490 PCl+ phosphorus monochloride cation pcl+  
491 AsF Arsenic monofluoride asf  
492 NBr nitrogen monobromide nbr  
493 SbF Antimony monofluoride sbf  
494 SbCl Antimony monochloride sbcl  
495 FO Oxygen monofluoride fo  
496 FO- flourine oxide anion fo-  
497 FO+ fluorine monoxide cation fo+  
498 ClO- chlorine monoxide anion clo-  
499 SF- sulfur monofluoride anion sf-  
500 SCl sulfur monochloride scl  
501 SCl- sulfur monochloride anion scl-  
502 BrO- Bromine monoxide anion bro-  
503 SeF Selenium monofluoride sef  
504 IO Iodine monoxide io  
505 ClF- clorine monofluoride anion clf-  
506 Cl2 Chlorine diatomic cl2  
507 Cl2- chlorine diatomic anion cl2-  
508 BrF- bromine fluoride anion brf-  
509 BrF+ bromine fluoride cation brf+  
510 BrCl- bromine chloride anion brcl-  
511 BrCl+ bromine chloride cation brcl+  
512 IF Iodine monofluoride if  
513 ICl Iodine monochloride icl  
514 IBr Iodine monobromide ibr  
515 I2 Iodine diatomic i2  
516 I2+ Iodine diatomic cation i2+  
517 HCCl Chloromethylene hccl  
518 CHBr bromomethylene chbr  
519 DOCl Hypochlorous acid-d docl  
520 HOBr Hypobromous acid hobr  
521 HOBr+ Hypobromous acid cation hobr+  
522 HOI Hypoiodous acid hoi  
523 FHF Hydrogen difluoride fhf  
524 FHF- Hydrogen difluoride anion fhf-  
525 NH2F monofluoroamine nh2f  
526 H2F2 Hydrogen fluoride dimer h2f2  
527 CD3F methylfluoride-d3 cd3f  
528 CD3Cl methyl chloride d3 cd3cl  
529 SiH3Br bromosilane sih3br  
530 CH3I methyl iodide ch3i  
531 SiH3I Silyl Iodide sih3i  
532 Ne2 Neon diatomic ne2  
533 Ne2+ Neon diatomic cation ne2+  
534 Ar2+ Argon diatomic cation ar2+  
535 Li3 Lithium trimer li3  
536 Li3+ Lithium trimer cation li3+  
537 C3+ carbon trimer cation c3+  
538 C3H3 cyclopropenyl radical cpr  
539 C3H3 Propargyl radical propargyl  
540 C3H3- Propargyl anion c3h3-  
541 C3H3+ cyclopropenyl cation cpr+  
542 C3H3+ Propargyl cation c3h3+  
543 C3H5 Allyl radical allyl  
544 C3H5+ Allyl cation allyl+  
545 CH3CHCH 1-propenyl radical ch3chch  
546 Zn(CH3)2 dimethyl zinc dmz  
547 SiH2(CH3)2 dimethylsilane dms  
548 NaCN Sodium Cyanide nacn  
549 KCN Potassium cyanide kcn  
550 CuCN Copper cyanide cucn  
551 CN2 3H-Diazirin-3-ylidene cn2  
552 NCN Cyanoimidogen ncn  
553 N3- azide anion n3-  
554 HCCN cyanomethylene hccn  
555 HCNN diazomethyl radical hcnn  
556 CH2N2 diazirine ch2n2  
557 CH2NN diazomethane ch2nn  
558 NH2CN cyanamide cyanamide  
559 CH3CN- acetonitrile anion ch3cn-  
560 CH3CN+ Acetonitrile cation ch3cn+  
561 CH3NC methyl isocyanide ch3nc  
562 CHNCH2 2H-Azirine c157164  
563 CHNHCH 1H-Azirine chnhch  
564 H2CCNH Ethenimine ch2cnh  
565 H2CNCH methyleneaminomethylene ch2nch  
566 HCCNH2 Ethynamine hccnh2  
567 HNCNH2+ diiminomethane, protonated hncnh2+  
568 NCNH3+ Cyanamide, protonated ncnh3+  
569 CH2CHNH vinylazine ch2chnh  
570 CH3CHN methylmethaniminyl radical ch3chn  
571 NHCHNH2 aminomethanimine cn2h4  
572 C2H5N Aziridine c2h5n  
573 CH2CHNH2 aminoethene aminoethene  
574 CH2NCH3 N-methylmethanimine nmm  
575 CH3CHNH ethanimine ethanimine  
576 NH2BHNH2 diaminoborane nh2bhnh2  
577 C2H5NH+ Protonated Aziridine c2h5nh+  
578 NH2CH2NH2 diaminomethane nh2ch2nh2  
579 CH3NHCH3 Dimethylamine ch3nhch3  
580 CH3PHCH3 dimethylphosphine ch3phch3  
581 NH2CH2NH3+ diaminoethane, protonated pdam  
582 (CH3)2NH2+ dimethylammonium cation dmam  
583 CH3CH2NH3+ ethylamine, protonated pea  
584 Li2O+ dilithium oxide cation li2o+  
585 Li2S dilithium sulfide li2s  
586 CCO Dicarbon monoxide cco  
587 CNO- fulminate cno-  
588 NCO- cyanate nco-  
589 SCN thiocyanato radical scn  
590 SCN- thiocyanide anion scn-  
591 BO2 Boron dioxide bo2  
592 BO2- Boron dioxide anion bo2-  
593 BO2+ Boron dioxide cation bo2+  
594 N2O- Nitrous oxide anion n2o-  
595 N2O+ Nitrous oxide cation n2o+  
596 NNS Nitrogen sulfide nns  
597 PPO Phosphorus oxide phosphide ppo  
598 CO2- Carbon dioxide anion co2-  
599 CO2+ Carbon dioxide cation co2+  
600 OCS+ Carbonyl sulfide cation cos+  
601 SiO2 silicon dioxide sio2  
602 CS2- Carbon disulfide anion cs2-  
603 CS2+ Carbon disulfide cation cs2+  
604 TiO2 Titanium dioxide tio2  
605 SiS2 Silicon disulfide sis2  
606 GeS2 Germanium disulfide ges2  
607 CSe2 Carbon diselenide cse2  
608 SCTe Carbon sulfide Telluride scte  
609 NO2- Nitrogen dioxide anion no2-  
610 PO2 Phosphorus dioxide po2  
611 PO2- Phosphorus dioxide anion po2-  
612 PO2+ Phosphorus dioxide cation po2+  
613 AsO2 Aresenic dioxide aso2  
614 O3- Ozone anion o3-  
615 O3+ Ozone cation o3+  
616 SO2- Sulfur dioxide anion so2-  
617 SO2+ Sulfur dioxide cation so2+  
618 S3- Sulfur trimer anion s3-  
619 S3+ Sulfur trimer cation s3+  
620 SeO2+ Selenium dioxide cation seo2+  
621 TeO2 Tellurium Dioxide teo2  
622 CS2H+ Carbon disulfide, protonated cs2h+  
623 HNCO Isocyanic acid hnco  
624 HOCN cyanic acid hocn  
625 HNCS Isothiocyanic acid hncs  
626 HSCN thiocyanic acid hscn  
627 HCO2- formate anion hco2-  
628 HNNO nitrosoazane hnno  
629 HNNO+ Nitrous oxide, N-protonated hnno+  
630 NNOH+ Nitrous Oxide, O-protonated nnoh+  
631 HCOO formate neutral radical hcoo  
632 HOCO+ Hydrocarboxyl cation hoco+  
633 HNO2 Nitrous acid hno2  
634 HNO2+ nitrous acid cation hno2+  
635 SO2H+ protonated sulfur dioxide so2h+  
636 CH2CO+ Ketene cation ch2co+  
637 HCCOH ethynol hccoh  
638 Mg(OH)2 Magnesium dihydroxide h2mgo2  
639 NH2NO Nitrosamide nh2no  
640 CH2O2 Dioxirane diox  
641 H2O3 Hydrogen trioxide h2o3  
642 HSSSH trisulfane hsssh  
643 NaOCH3 Sodium methoxide naoch3  
644 CH2BOH hydroxy(methylene)borane ch2boh  
645 CH3BO Borane, methyloxo- ch3bo  
646 CH2CHO Vinyloxy radical ch2cho  
647 CH3CO Acetyl radical ch3co  
648 CH3CO- Acetyl anion ch3co-  
649 CH3CO+ acetyl cation ch3co+  
650 CH2NOH formaldoxime ch2noh  
651 CH3NO nitrosomethane ch3no  
652 CHONH2 formamide formamide  
653 CNOH3 1,2-oxaziridine cnoh3  
654 CHSNH2 thioformamide chsnh2  
655 CH2OOH CH2OOH radical ch2ooh  
656 CH3OO methylperoxy radical ch3oo  
657 CH3OO- methylperoxy anion ch3oo-  
658 CH3OO+ methylperoxy cation ch3oo+  
659 CH2CHOH ethenol ch2choh  
660 CH3CHS Thioacetaldehyde ch3chs  
661 H2CONH2+ protonated formamide h2conh2+  
662 NH3CHO+ Formamide, N-Protonated nh3cho+  
663 CH2(OH)2 methanediol ch2o2h2  
664 CH3OOH Methyl peroxide ch3ooh  
665 H2OH2CO water formaldehyde dimer h2oh2co  
666 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
667 CH3CH2O Ethoxy radical ethoxy  
668 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
669 CH3CHOH+ acetaldehyde, protonated ch3choh+  
670 CH3OCH2 methoxymethyl radical ch3och2  
671 NH2CH2OH aminomethanol nh2ch2oh  
672 CH3SeCH3 dimethylselenide dmse  
673 CH3OHH2O methanol water dimer ch3ohh2o  
674 H2OCH3OH water methanol dimer h2och3oh  
675 CuF2 Copper difluoride cuf2  
676 ZnF2 Zinc difluoride znf2  
677 FCN Cyanogen fluoride fcn  
678 ClCN chlorocyanogen clcn  
679 ICN Cyanogen iodide icn  
680 BeF2 Beryllium fluoride bef2  
681 MgF2 Magnesium fluoride mgf2  
682 BeCl2 Beryllium chloride becl2  
683 MgCl2 Magnesium dichloride mgcl2  
684 CaCl2 Calcium Chloride cacl2  
685 ZnCl2 Zinc dichloride zncl2  
686 CaBr2 Calcium dibromide cabr2  
687 CaF2 Calcium difluoride caf2  
688 FCO Carbonyl fluoride fco  
689 FCO+ Carbonyl fluoride cation fco+  
690 ClCO carbonyl monochloride clco  
691 BrNO Nitrosyl bromide brno  
692 INO Nitrosyl iodide ino  
693 CF2- Difluoromethylene anion cf2-  
694 CF2+ Difluoromethylene cation cf2+  
695 SiF2+ Silicon difluoride cation sif2+  
696 CCl2 dichloromethylene ccl2  
697 CCl2- dichloromethylene anion ccl2-  
698 CCl2+ dichloromethylene cation ccl2+  
699 SiCl2 Dichlorosilylene sicl2  
700 GeF2 Germanium difluoride gef2  
701 CBr2 dibromomethylene cbr2  
702 FOO Dioxygen monofluoride radical foo  
703 ClOO chloroperoxy radical cloo  
704 ClOO+ chloroperoxy cation cloo+  
705 OClO+ Chlorine dioxide cation oclo+  
706 ClS2 Sulfur chloride cls2  
707 NF2 Difluoroamino radical nf2  
708 NF2+ Difluoroamino cation nf2+  
709 F2O Difluorine monoxide f2o  
710 SF2- sulfur difluoride anion sf2-  
711 SF2+ sulfur difluoride cation sf2+  
712 Cl2O Dichlorine monoxide cl2o  
713 SCl2 Sulfur dichloride scl2  
714 BrOCl Bromine hypochlorite brocl  
715 BrOBr Bromine oxide brobr  
716 F3- trifluoride anion f3-  
717 Cl3- trichloride anion cl3-  
718 I3- triiodide i3-  
719 HCCF+ fluoroacetylene cation hccf+  
720 HCCCl Chloroacetylene hcccl  
721 HCCBr bromoacetylene hccbr  
722 HFCO formyl fluoride hfco  
723 HFCO+ formyl fluoride cation hfco+  
724 COHCl Formyl chloride cohcl  
725 COHBr Formyl bromide cohbr  
726 BHF2 Difluoroborane bhf2  
727 BHCl2 Borane, dichloro- bhcl2  
728 CHCl2 dichloromethyl radical chcl2  
729 CHBr2 dibromomethyl radical chbr2  
730 HOClO Chlorous acid hoclo  
731 CH2FCl fluorochloromethane ch2fcl  
732 CH2BrF Methane, bromofluoro- ch2fbr  
733 CH2FI fluoroiodomethane ch2fi  
734 CH2ClI chloroiodomethane ch2cli  
735 CH2BrI bromoiodomethane ch2bri  
736 CH2I2 Diiodomethane ch2i2  
737 SiH2Cl2 dichlorosilane sih2cl2  
738 CH2CHF+ fluoroethene cation ch2chf+  
739 C2H3Cl Ethene, chloro- ch2chcl  
740 C2H3Br vinyl bromide c2h3br  
741 C2H3I Vinyl iodide c2h3i  
742 CH3OCl methyl hypochlorite ch3ocl  
743 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
744 CHClCH3 1-chloroethyl radical chclch3  
745 C2H5F fluoroethane c2h5f  
746 CH3CH2Cl Ethyl chloride c2h5cl  
747 CH3SiFH2 fluoromethylsilane ch3sifh2  
748 C2H5I Ethyl iodide c2h5i  
749 KrF2 Krypton difluoride krf2  
750 XeF2 Xenon difluoride xef2  
751 B4H10 Tetraborane(10) b4h10  
752 C4+ Carbon tetramer cation c4+  
753 C4H2 Diacetylene c4h2  
754 C4H2+ diacetlyene cation c4h2+  
755 C2H3CCH 1-Buten-3-yne c2h3cch  
756 C4H4 cyclobutadiene cbd  
757 H2CCCCH2 Butatriene h2cccch2  
758 C4H6 Cyclobutene c822355  
759 C4H6 Methylenecyclopropane c6142730  
760 CH2CCHCH3 1,2-Butadiene butad12  
761 CH2CHCHCH2 1,3-Butadiene c106990  
762 CH3CCCH3 2-Butyne c503173  
763 CHCCH2CH3 1-Butyne c107006  
764 CH3CHCHCH2 methylallyl radical c4h7  
765 C4H8 methylcyclopropane mcp  
766 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
767 CH2CHCH2CH3 1-Butene bute1  
768 CH3CHCHCH3 2-Butene, (E)- bute2e  
769 CH3CHCHCH3 2-Butene, (Z)- bute2z  
770 B(CH3)3 trimethylborane bme3  
771 Al(CH3)3 trimethyl aluminum tma  
772 C(CH3)3 Tert-butyl radical tbutyl  
773 CH2CH(CH3)2 Isobutyl radical isobutyl  
774 CH3CHCH2CH3 2-Butyl radical butyl2  
775 CH3CH(CH3)CH3 Isobutane isobutane  
776 SiH(CH3)3 trimethylsilane trimsi  
777 Li3N trilithium nitride li3n  
778 C2N2 Cyanogen c2n2  
779 C2N2+ Cyanogen cation c2n2+  
780 P4 Phosphorus tetramer p4  
781 HCCCN Cyanoacetylene hcccn  
782 C3H3N acrylonitrile ch2chcn  
783 C3H3N+ acrylonitrile cation ch2chcn+  
784 CH3N3 methyl azide ch3n3  
785 NH2CCNH2 Diaminoacetylene daa  
786 NH2CH2CN Aminoacetonitrile aan  
787 CH3NHN2+ methyl azide, protonated ch3nhn2+  
788 CH5N3 Guanidine guanidine  
789 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
790 H2NCHCHNH2 diaminoethylene dae  
791 CH6N3+ guanidinium ch6n3+  
792 C3H7N Cyclopropylamine cpram  
793 C3H7N Azetidine azet  
794 C4H8 cyclobutane cbutane  
795 C2H8N2 Ethylenediamine ethdiam  
796 CH3NHNHCH3 dimethyl hydrazine dmh  
797 CH3CH(NH2)CH3 2-Propanamine pram2  
798 N(CH3)3 Trimethylamine trimeam  
799 NH2CH2CH2CH3 1-Propanamine pram1  
800 P(CH3)3 trimethylphosphine tmp  
801 As(CH3)3 trimethyl arsine tmas  
802 (CH3)3NH+ protonated trimethyl amine ptma  
803 C3H7NH3+ n-propylamine, protonated c3h7nh2  
804 Li2O2 dilithium dioxide li2o2  
805 K2O2 dipotassium dioxide k2o2  
806 B2O2 Diboron dioxide b2o2  
807 CO3 Carbon trioxide co3  
808 CO3-- carbonate co3--  
809 CS3-- Carbonotrithioate cs3--  
810 NO3 Nitrogen trioxide no3  
811 NO3- nitrate anion no3-  
812 NO3+ nitrogen trioxide cation no3+  
813 SO3- Sulfur trioxide anion so3-  
814 SO3+ Sulfur trioxide cation so3+  
815 SeO3 selenium trioxide seo3  
816 TeO3 Tellurium trioxide teo3  
817 HCO3- bicarbonate anion hco3-  
818 HSO3 Hydroxysulfonyl radical hso3  
819 NH2NO2 nitramide nh2no2  
820 C2H2CO cyclopropenone c2h2co  
821 HCCCHO 2-propynal hcccho  
822 C2H2O2+ Ethanedial cation c2h2o2+  
823 H2CO3 Carbonic acid h2co3  
824 H2CS3 thiocarbonic acid h2cs3  
825 H2NO3+ Nitric Acid, Protonated h2no3+  
826 H2SO3 Sulfurous acid h2so3  
827 HOCH2CN cyanomethanol hoch2cn  
828 CH3COO- acetate anion ch3coo-  
829 CH3ONO Methyl nitrite ch3ono  
830 NH2COOH Carbamic acid nh2cooh  
831 H3BO3 Boric acid h3bo3  
832 H3CO3+ carbonic acid, protonated h3co3+  
833 C3H4O 2-Propyn-1-ol c107197  
834 C3H4O allenol c9000071  
835 C3H4O Cyclopropanone cpone  
836 C3H4O Methylketene c6004440  
837 NH2CONH2 Urea urea  
838 NH2CONH2+ Urea cation urea+  
839 NH2CSNH2 Thiourea thiourea  
840 C2H4O2 1,3-dioxetane c2h4o2  
841 CH3COOH Acetic acid ch3cooh  
842 CH3OCHO methyl formate ch3ocho  
843 CHOCH2OH hydroxy acetaldehyde haa  
844 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
845 NH3COOH+ protonated Carbamic acid nh3cooh+  
846 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
847 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
848 HCOOHH2O Formic acid water dimer hcoohh2o  
849 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
850 CH3COCH2 Acetonyl radical ch3coch2  
851 CH2C(OH)NH2 1-amino vinyl alchohol ava  
852 CH3C(OH)=NH Ethaninidic acid eia  
853 CH3CHNOH Acetaldoxime acetaldoxime  
854 CH3CONH2 Acetamide acetamide  
855 HCONHCH3 N-methylformamide nmfa  
856 CH3CSNH2 Ethanethioamide ch3csnh2  
857 CH5N2O+ urea, N-protonated ch4n2o+  
858 H2NCOHNH2+ urea, protonated ureah+  
859 C2H5OO ethylperoxy radical c2h5oo  
860 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
861 C3H5OH Cyclopropanol cproh  
862 C3H6O 2-Propen-1-ol c107186  
863 C3H6O Acetone enol enol  
864 C3H6O Oxetane oxetane  
865 C3H6O Propylene oxide prox  
866 CH3COCH3- acetone anion ch3coch3-  
867 C3H6S Thietane thietane  
868 C3H6S Thiirane, methyl- methiirane  
869 CH3CSCH3 Thioacetone ch3csch3  
870 C2H6O2 1,2-Ethanediol ethdiol  
871 CH3OOCH3 dimethylperoxide dmp  
872 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
873 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
874 CH3COHCH3+ acetone, protonated acetoneh+  
875 HOCH2CH2NH2 monoethanolamine mea  
876 CH3CHOHCH3 Isopropyl alcohol isoproh  
877 CH3OC2H5 Ethane, methoxy- etome  
878 C3H7SH 1-Propanethiol prsh  
879 CH3CHSHCH3 2-Propanethiol isoprsh  
880 CH3SCH2CH3 Ethane, (methylthio)- etsme  
881 H2OCH3OCH3 water dimethylether dimer h2och3och3  
882 Na2F2 Sodium Fluoride Dimer na2f2  
883 Na2Cl2 Disodium dichloride na2cl2  
884 C2F2 difluoroacetylene c2f2  
885 C2Cl2 dichloroacetylene c2cl2  
886 C2Cl2+ dichloroacetylene cation c2cl2+  
887 FNO2 Nitryl fluoride fno2  
888 FONO Nitrosyl hypofluorite fono  
889 ClNO2 Nitryl chloride clno2  
890 ClONO chlorine nitrite clono  
891 BrONO Bromine nitrite brono  
892 N2F2 (Z)-Difluorodiazene n2f2_z  
893 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
894 COFCl Carbonic chloride fluoride cofcl  
895 CCl2O Phosgene cl2co  
896 Cl2CS Thiophosgene cl2cs  
897 COBr2 Carbonic dibromide cobr2  
898 BF3 Borane, trifluoro- bf3  
899 BF3- Borane, trifluoro- anion bf3-  
900 AlF3 Aluminum trifluoride alf3  
901 BClF2 Chlorodifluoroborane bclf2  
902 AlF2Cl Aluminum chloride difluoride alclf2  
903 ScF3 Scandium trifluoride ScF3  
904 AlFCl2 Aluminum dichloride fluoride alcl2f  
905 AlCl3 Aluminum trichloride alcl3  
906 GaCl3 Gallium trichloride gacl3  
907 BBr3 Boron tribromide bbr3  
908 AlBr3 Aluminum Bromide albr3  
909 ClO3 Chlorine trioxide clo3  
910 ClO3- chlorate anion clo3-  
911 BrO3- Bromate anion bro3-  
912 CF3 Trifluoromethyl radical cf3  
913 CF3- Trifluoromethyl anion cf3-  
914 CF3+ Trifluoromethyl cation cf3+  
915 SiF3 Silicon trifluoride radical sif3  
916 SiF3+ Silicon trifluoride cation sif3+  
917 CCl3 Trichloromethyl radical ccl3  
918 CCl3- Trichloromethyl anion ccl3-  
919 CCl3+ Trichloromethyl cation ccl3+  
920 SiCl3 trichlorosilyl radical sicl3  
921 SiCl3+ trichlorosilyl cation sicl3+  
922 CBr3 tribromomethyl radical cbr3  
923 FOOF Perfluoroperoxide foof  
924 F2SO Thionyl Fluoride f2so  
925 ClOOCl Dichlorine dioxide cloocl  
926 FSSF Difluorodisulfane fssf  
927 S2F2 Thio-thionyl fluoride s2f2  
928 SOCl2 thionyl chloride socl2  
929 SeOCl2 selenium oxychloride seocl2  
930 NF3- Nitrogen trifluoride anion nf3-  
931 NF3+ Nitrogen trifluoride cation nf3+  
932 PF3 Phosphorus trifluoride pf3  
933 AsF3 Arsenic trifluoride asf3  
934 PCl3 Phosphorus trichloride pcl3  
935 SbF3 Antimony Trifluoride sbf3  
936 AsCl3 Arsenous trichloride ascl3  
937 SbCl3 Antimony Trichloride sbcl3  
938 PBr3 Phosphorus tribromide pbr3  
939 AsBr3 Arsenic tribromide asbr3  
940 NI3 Nitrogen triiodide ni3  
941 PI3 Phosphorus triiodide pi3  
942 ClSSCl Disulfur dichloride s2cl2  
943 SF3 Sulfur trifluoride sf3  
944 ClF3 Chlorine trifluoride clf3  
945 BrF3 Bromine trifluoride brf3  
946 IF3 iodone trifluoride if3  
947 CHF2Cl difluorochloromethane chf2cl  
948 CHFCl2 fluorodichloromethane chfcl2  
949 CDCl3 trichloromethane-d cdcl3  
950 SiHCl3 Trichlorosilane sihcl3  
951 CHF2I difluoroiodomethane chf2i  
952 CHBr2F dibromofluoromethane chbr2f  
953 CHFClI fluorochloroiodomethane chfcli  
954 CHCl2I dichloroiodomethane chcl2i  
955 CHClBr2 Methane, dibromochloro- chclbr2  
956 CHBr3 bromoform chbr3  
957 CHI3 Iodoform chi3  
958 NF3H+ protonated nitrogen trifluoride nf3h+  
959 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
960 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
961 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
962 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
963 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
964 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
965 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
966 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
967 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
968 C2H2Br2 1,1-dibromoethene c2h2br2  
969 CH2FCHO Fluoroacetaldehyde ch2fcho  
970 CH3COF Acetyl fluoride ch3cof  
971 CH2ClCHO chloroacetaldehyde ch2clcho  
972 CH3COCl Acetyl Chloride ch3cocl  
973 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
974 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
975 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
976 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
977 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
978 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
979 CH2CFCH3 2-fluoropropene 2fpro  
980 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
981 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
982 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
983 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
984 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
985 CH2FCH2CH3 1-Fluoropropane prf1  
986 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
987 CH3CH2CH2Br n-propyl bromide prbr  
988 CH3CHBrCH3 i-propyl bromide iprbr  
989 C3H9O+ trimethyl oxonium cation c3h9o+  
990 C5H5 cyclopentadienyl radical c5h5  
991 C5H5- cylopentadienyl anion c5h5-  
992 C5H6 1,3-Cyclopentadiene c542927  
993 C5H6 1-Buten-3-yne, 2-methyl- c78808  
994 C5H6 3-Penten-1-yne, (E)- c2004695  
995 C5H6 3-Penten-1-yne, (Z)- c1574409  
996 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
997 C5H6 Cyclopropylacetylene c6746947  
998 C5H6 Propellane propellane  
999 C5H7 1,3-pentadienyl radical pdyl  
1000 C5H7 cyclopentenyl radical cpyl  
1001 C5H8 1,2-Butadiene, 3-methyl- c598254  
1002 C5H8 1,2-Pentadiene c591957  
1003 C5H8 1,3-Butadiene, 2-methyl- c78795  
1004 C5H8 1,3-Pentadiene, (E)- c2004708  
1005 C5H8 1,3-Pentadiene, (Z)- c1574410  
1006 C5H8 1,4-Pentadiene c591935  
1007 C5H8 1-pentyne a1pentyne  
1008 C5H8 2,3-Pentadiene c591968  
1009 C5H8 Cyclobutane, methylene- c1120565  
1010 C5H8 Cyclopentene c142290  
1011 C5H8 Ethenylcyclopropane c693867  
1012 CH3CCCH2CH3 2-Pentyne 2pentyne  
1013 C5H10 1-Butene, 2-methyl- c563462  
1014 C5H10 2-Butene, 2-methyl- c513359  
1015 C5H10 2-Pentene, (E)- c646048  
1016 C5H10 2-Pentene, (Z)- c627203  
1017 C5H10 Cyclopentane c287923  
1018 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1019 CH2CHCH2CH2CH3 1-pentene pentene  
1020 C5H11 2-Methylbut-2-yl radical c4348350  
1021 C5H12 Butane, 2-methyl- buta2  
1022 C5H12 Pentane pentane  
1023 C5H12 Propane, 2,2-dimethyl- neopentane  
1024 Si(CH3)4 tetramethylsilane tms  
1025 N2O3 Dinitrogen trioxide n2o3  
1026 C3H2N2 Malononitrile c3h2n2  
1027 CH2N4 1H-Tetrazole 1htz  
1028 C3H3N2 imidazolyl radical im  
1029 C3H3N2- imidizolyl anion im-  
1030 C2H3N3 1H-1,2,4-Triazole c288880  
1031 C4H4N pyrrolide radical c4h4n  
1032 C4H4N- pyrrolide anion c4h4n-  
1033 C3H4N2 1H-Imidazole 1himidaz  
1034 C3H4N2 1H-Pyrazole 1hpyraz  
1035 C3H4N2 2H-Imidazole imid2h  
1036 C3H4N2 4H-Imidazole imid4h  
1037 C4H5N (E)-2-Butenenitrile c627269  
1038 C4H5N (Z)-2-Butenenitrile c1190767  
1039 C4H5N 2H-pyrrole pyrrole2  
1040 C4H5N 3H-pyrrole pyrrole3  
1041 C4H5N Cyclopropanecarbonitrile c5500210  
1042 C4H5N Pyrrole pyrrole  
1043 CH2CHCH2CN Allylcyanide ch2chch2cn  
1044 C4H6N+ pyrrole, alpha-protonated appyr  
1045 C4H6N+ pyrrole, beta-protonated bppyr  
1046 C4H6N+ pyrrole, protonated ppyr  
1047 C3H6N2 3-Aminopropionitrile c151188  
1048 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1049 CH3CH2CH2CN Butanenitrile c109740  
1050 C5H8 Bicyclo[2.1.0]pentane c185944  
1051 C5H8 Spiropentane c157404  
1052 C4H9N Cyclobutylamine cbam  
1053 C4H9N Pyrrolidine pyrrolidine  
1054 C3H10N2 1,2-Diaminopropane diampr12  
1055 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1056 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1057 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1058 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1059 NH(C2H5)2 diethylamine dea  
1060 NC4H12+ tetramethyl ammonium cation nc4h12+  
1061 C3O2+ Carbon suboxide cation c3o2+  
1062 MgCO3 Magnesium Carbonate mgco3  
1063 BeCO3 Beryllium Carbonate beco3  
1064 CaCO3 Calcium Carbonate caco3  
1065 ONONO Nitrosyl nitrite onono  
1066 PO4--- phosphate po4---  
1067 SO4-- sulfate so4--  
1068 HOONO2 peroxy nitric acid hoono2  
1069 HSO4- bisulfate anion hso4-  
1070 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1071 C3H2O2 Propiolic acid c3h2o2  
1072 CHOCOOH oxo acetic acid oaa  
1073 CHOOCHO diformyl ether choocho  
1074 H2SO4 Sulfuric acid h2so4  
1075 H2SeO4 Selenic acid h2seo4  
1076 C3H3NO Oxazole oxazole  
1077 C3H3NS Thiazole thiazole  
1078 CH3C(O)OO acetyl peroxy radical ch3coo2  
1079 CH3NO3 Methyl nitrate ch3no3  
1080 H3PO4 Phosphoric Acid h3po4  
1081 C4H4O+ Furan cation furan+  
1082 CH3COCCH 3-butyn-2-one c1423605  
1083 C4H4S Thiophene furans  
1084 C4H4Se selenophene c4h4se  
1085 C3H4O2 β–Propiolactone beta  
1086 C3H4O2 2-Propenoic acid propenoic2  
1087 C3H4O2 Methyl glyoxal megly  
1088 C3H4O2 propanedial propanedial  
1089 C3H4O2 propenalol propenalol  
1090 HOCHCCHOH allenediol aldiol  
1091 C2H4O3 1,2,3-trioxolane c2h4o3  
1092 C2H4O3 trioxolane124 triox  
1093 HOCH2COOH Hydroxyacetic acid hac  
1094 CH2CHCONH2 Acrylamide c79061  
1095 CH3OCH2CN Methoxyacetonitrile c1738369  
1096 CH5N3S Hydrazinecarbothioamide c79196  
1097 H2NCH2COOH Glycine glycine  
1098 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1099 C4H6O cis-2-butenal butenal2c  
1100 C4H6O Cyclobutanone cbutone  
1101 C4H6O Furan, 2,3-dihydro- furan23h  
1102 C4H6O Furan, 2,5-dihydro- furan25h  
1103 CH2CHOCHCH2 Vinyl ether vinylether  
1104 CHOCHCHCH3 2-Butenal butenal2  
1105 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1106 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1107 C2H6N2O Urea, methyl- c598505  
1108 C3H6O2 1,3-Dioxolane dioxolane  
1109 CH3CH2COOH Propanoic Acid propanoic  
1110 CH3COOCH3 methyl acetate aame  
1111 HCOOC2H5 Ethyl formate faee  
1112 C2H6O2S Dimethyl sulfone c67710  
1113 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1114 C3H7NO dimethylformamide dmf  
1115 C3H7NO Propanamide propanam  
1116 C2H3OC2H5 Ethene, ethoxy- c109922  
1117 C4H8O Cyclobutanol c2919235  
1118 C4H8O Furan, tetrahydro- thf  
1119 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1120 CH3COCH2CH3 2-Butanone buta2one  
1121 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1122 CHOCH2CH2CH3 Butanal butanal  
1123 C4H8S Thiophene, tetrahydro- tht  
1124 C3H8O2 1,3-Propanediol c504632  
1125 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1126 C3H8O2 Methane, dimethoxy- c109875  
1127 C3H8O2 Propylene glycol c57556  
1128 C3H8S2 1,3-Propanedithiol c109808  
1129 C4H10O 1-Butanol butanol1  
1130 C4H10O 1-Propanol, 2-methyl- c78831  
1131 C4H10O 2-Butanol, (.+/-.)- butanol2  
1132 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1133 C4H10O Methyl propyl ether meopr  
1134 C4H10O Propane, 2-methoxy- c598538  
1135 C4H10O+ 1-Butanol cation butanol1+  
1136 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1137 C2H5SC2H5 Diethyl sulfide etset  
1138 C4H9SH 1-Butanethiol bush  
1139 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1140 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1141 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1142 FNO3 Fluorine nitrate fno3  
1143 ClONO2 Chlorine nitrate clono2  
1144 BrONO2 Bromine nitrate brono2  
1145 TiCl4 Titanium tetrachloride ticl4  
1146 ClO4- perchlorate anion clo4-  
1147 BF4- tetrafluoroboron anion bf4-  
1148 ClFO3 Perchloryl fluoride clfo3  
1149 SO2F2 Sulfuryl fluoride so2f2  
1150 SO2Cl2 Sulfuryl chloride so2cl2  
1151 F3NO Nitrogen trifluoride oxide f3no  
1152 F3PO Phosphoryl fluoride pf3o  
1153 Cl3PO Phosphoryl chloride pcl3o  
1154 CF4 Carbon tetrafluoride cf4  
1155 SiF4 Silicon tetrafluoride sif4  
1156 TiF4 Titanium tetrafluoride tif4  
1157 CFCl3 Trichloromonofluoromethane cfcl3  
1158 CCl4+ Carbon tetrachloride cation ccl4+  
1159 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1160 SiCl4 Silane, tetrachloro- sicl4  
1161 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1162 CF3I trifluoroiodomethane cf3i  
1163 CBrCl3 Methane, bromotrichloro- cbrcl3  
1164 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1165 GeCl4 Germanium Tetrachloride gecl4  
1166 CBr2ClF dibromochlorofluoromethane cbr2clf  
1167 CBr2Cl2 dibromodichloromethane cbr2cl2  
1168 CCl3I trichloroiodomethane ccl3i  
1169 CFBr3 fluorotribromomethane cfbr3  
1170 CFClBrI fluorochlorobromoiodomethane cfclbri  
1171 CBr3Cl tribromochloromethane cbr3cl  
1172 CF2I2 difluorodiiodomethane cf2i2  
1173 CBr4 Carbon tetrabromide cbr4  
1174 CCl2I2 dichlorodiiodomethane ccl2i2  
1175 SiBr4 Silicon tetrabromide sibr4  
1176 CBr3I tribromoiododmethane cbr3i  
1177 GeBr4 Germanium tetrabromide gebr4  
1178 CI4 tetraiodomethane ci4  
1179 SiI4 silicon tetraiodide sii4  
1180 ClOF3 Chlorine trifluoride oxide clof3  
1181 SeF4 Selenium tetrafluoride sef4  
1182 SCl4 Sulfur tetrachloride scl4  
1183 C2HF3 Trifluoroethylene c2hf3  
1184 C2HF3+ Trifluoroethylene cation c2hf3+  
1185 CHClCCl2 Trichloroethylene chclccl2  
1186 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1187 HClO4 perchloric acid hclo4  
1188 HSO3F Fluorosulfonic acid hso3f  
1189 CF3OH trifluoromethanol cf3oh  
1190 CHClCCHCl 1,3-dichloroallene chclcchcl  
1191 CHCl2CHO dichloroacetaldehyde chcl2cho  
1192 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1193 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1194 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1195 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1196 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1197 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1198 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1199 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1200 NH3BCl3 Amminetrichloroboron nh3bcl3  
1201 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1202 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1203 C3H5ClO Oxirane, (chloromethyl)- c106898  
1204 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1205 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1206 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1207 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1208 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1209 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1210 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1211 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1212 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1213 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1214 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1215 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1216 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1217 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1218 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1219 C4H9F 1-fluorobutane butaf1  
1220 CH3CHFCH2CH3 2-fluorobutane butaf2  
1221 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1222 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1223 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1224 XeF4 Xenon tetrafluoride xef4  
1225 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1226 NH3BF3 Amminetrifluoroboron nh3bf3  
1227 C6H2 hexatriyne c6h2  
1228 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1229 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1230 C6H4 Benzyne benzyne  
1231 C6H5 phenyl phenyl  
1232 C6H5- phenyl anion phenyl-  
1233 C6H6 Prismane prismane  
1234 C6H6 1,2,4,5-Hexatetraene ht1245  
1235 C6H6 2,4-Hexadiyne hexadiyne  
1236 C6H6 3,4-Dimethylenecyclobutene cb34m  
1237 C6H6 Benzvalene bv  
1238 C6H6 Dewar Benzene dewar  
1239 C6H6 Hexa-1,5-diene-3-yne hdy153  
1240 C6H6 Trimethylenecycopropane tmcp  
1241 C6H6+ Benzene cation c6h6+  
1242 C6H7+ benzene, protonated c6h7+  
1243 C6H8 (E)-hexa-1,3,5-triene c821078  
1244 C6H8 (E)-hexa-2,3,4-triene c59660650  
1245 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1246 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1247 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1248 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1249 C6H8 3-Methylenecyclopentene c930267  
1250 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1251 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1252 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1253 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1254 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1255 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1256 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1257 C6H10 1,5-Hexadiene c592427  
1258 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1259 C6H10 1-Hexyne hexyne1  
1260 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1261 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1262 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1263 C6H10 2-Hexyne c764352  
1264 C6H10 3-Hexyne hexyne3  
1265 C6H10 cyclohexene cyclohexene  
1266 C6H10 Cyclopentene, 1-methyl- c693890  
1267 C6H10 Cyclopentene, 3-methyl- c1120623  
1268 C6H10 Cyclopentene, 4-methyl- c1759815  
1269 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1270 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1271 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1272 C6H12 (E)-2-Hexene e2hexene  
1273 C6H12 (E)-3-methylpent-2-ene c616126  
1274 C6H12 (E)-hex-3-ene e3hexene  
1275 C6H12 (Z)-3-methylpent-2-ene c922623  
1276 C6H12 (Z)-hex-2-ene z2hexene  
1277 C6H12 (Z)-hex-3-ene z3hexene  
1278 C6H12 2,3-dimethylbut-1-ene c563780  
1279 C6H12 2,3-dimethyl-but-2-ene tmeet  
1280 C6H12 3-methylenepentane c760214  
1281 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1282 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1283 C6H12 Cyclohexane cyclohexane  
1284 C6H12 Cyclopentane, methyl- c96377  
1285 C6H12 Ethylcyclobutane c4806615  
1286 C6H12 hex-1-ene hexene1  
1287 C6H14 Butane, 2,2-dimethyl- buta22  
1288 C6H14 Butane, 2,3-dimethyl- buta23  
1289 C6H14 Hexane hexane  
1290 C6H14 Pentane, 2-methyl- penta2  
1291 C6H14 Pentane, 3-methyl- penta3  
1292 C4N2 2-Butynedinitrile c4n2  
1293 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1294 C4H2N2 Fumaronitrile c4h2n2  
1295 C2H2N4 sym-tetrazine ttz  
1296 C3H3N3 1,3,5-Triazine triazine135  
1297 CH3N5 5-Aminotetrazole c4418615  
1298 C4H4N2 1,3-Diazine diazine13  
1299 C4H4N2 Pyrazine pyrazine  
1300 C4H4N2 Pyridazine pyridazine  
1301 C4H4N2 Succinonitrile c110612  
1302 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1303 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1304 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1305 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1306 C5H5N E-2,4-pentadienenitrile bdcn  
1307 C5H5N Pyridine pyridine  
1308 B3N3H6 borazine borazine  
1309 C6H6 Fulvene fulvene  
1310 C5H6N+ Pyridinium c5h6n  
1311 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1312 C5H7N (E)-2-Pentenenitrile c26294984  
1313 C5H7N (E)-3-Pentenenitrile c16529661  
1314 C5H7N (Z)-2-Pentenenitrile c25899507  
1315 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1316 C5H7N Cyclobutanecarbonitrile c4426113  
1317 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1318 C5H9N Butanenitrile, 2-methyl- c18936179  
1319 C5H9N Pentanenitrile c110598  
1320 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1321 C6H10 Bicyclo[3.1.0]hexane c285585  
1322 C5H11N Cyclopentanamine cypentam  
1323 C5H11N Piperidine piper  
1324 C4H12N2 1,2-Butanediamine c4426486  
1325 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1326 Li2CO3 Lithium Carbonate li2co3  
1327 Na2CO3 Sodium Carbonate na2co3  
1328 C2O4-- oxalate anion c2o4  
1329 MgSO4 Magnesium Sulfate mgso4  
1330 C2H2O4 Oxalic Acid oxalic  
1331 C2H3NO3 Oxamic acid oxamic  
1332 C4H4O2 2(5H)-Furanone furanone  
1333 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1334 C2H4N2O2 Oxalamide oxalamide  
1335 C2H4N2S2 Ethanedithioamide c79403  
1336 C2H4CO3 Ethylene carbonate etco3  
1337 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1338 C3H4S3 1,3-Dithiolane-2-thione c822388  
1339 C4H5NO 3-Methylisoxazole isox3m  
1340 C4H5NO Isoxazole, 5-methyl- c5765446  
1341 C4H5NS 4-Methylthiazole c693958  
1342 C2H5NO3 Nitric acid, ethyl ester c625581  
1343 C5H6O 2-methylfuran furan2m  
1344 C5H6O 3-Methylfuran furan3m  
1345 C5H6O Pentadienal pdal  
1346 C5H6S Thiophene, 2-methyl- c554143  
1347 C5H6S Thiophene, 3-methyl- c616444  
1348 C4H6O2 2,3-Butanedione c431038  
1349 C4H6O2 2-Propenoic acid, methyl ester c96333  
1350 C4H6O2 Crotonic Acid crot  
1351 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1352 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1353 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1354 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1355 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1356 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1357 C4H6OS Vinyl sulfoxide c1115157  
1358 CH6N4S Carbonothioic dihydrazide thiacarb  
1359 C2H6N2O2 (E)-Azodioxymethane c37765154  
1360 C2H6N2O2 Dimethylnitroamine c4164287  
1361 C3H6S3 1,3,5-Trithiane c3h6s3  
1362 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1363 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1364 C4H7NO 2-Pyrrolidinone c616455  
1365 C4H7NO Ethoxyacetonitrile etoaccn  
1366 C4H7NO Methacrylamide c79390  
1367 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1368 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1369 C3H7ONO Propyl nitrite prono  
1370 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1371 CH3CH(NH2)COOH Alanine alanine  
1372 CH3NHCH2COOH Sarcosine sarcosine  
1373 NH2CH2CH2COOH β–alanine betaalanine  
1374 NH2COOC2H5 Urethane urethane  
1375 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1376 C5H8O Cyclopentanone c120923  
1377 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1378 C5H8O Methyl cyclopropyl ketone c765435  
1379 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1380 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1381 NH2CONHC2H5 Urea, ethyl- c625525  
1382 C4H8O2 1,3-Dioxane dioxan13  
1383 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1384 C4H8O2 1,4-Dioxane dioxan14  
1385 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1386 C4H8OS s-Ethyl thioacetate c625605  
1387 C3H8O3 1,2,3-Propanetriol glycerin  
1388 C3H8O2S (Methylsulfonyl)ethane c594434  
1389 C4H9NO Butanamide c541355  
1390 C4H9NO Propanamide, 2-methyl- c563837  
1391 C5H10O 2-Butanone, 3-methyl- c563804  
1392 C5H10O 2H-Pyran, tetrahydro- c142687  
1393 C5H10O 2-methylbutyraldehyde 2meba  
1394 C5H10O 2-Pentanone mpk  
1395 C5H10O 3-Pentanone dek  
1396 C5H10O Cyclopentanol c96413  
1397 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1398 C5H10O Pentanal pal  
1399 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1400 C5H10S 3-Ethylthio-1-propene c5296628  
1401 C5H10S Cyclopentanethiol c1679078  
1402 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1403 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1404 C4H10O2 1,1-Dimethoxyethane c534156  
1405 C4H10O2 1,3-Butanediol budiol13  
1406 C4H10O2 1,4-Butanediol budiol14  
1407 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1408 C4H10OS Diethyl sulfoxide c70291  
1409 C4H10S2 1,4-Butanedithiol budisl14  
1410 C4H11NO Diethylhydroxylamine c3710847  
1411 C5H12O 1-Butanol, 2-methyl- c137326  
1412 C5H12O 1-Butanol, 3-methyl- c123513  
1413 C5H12O 1-Pentanol pentanol1  
1414 C5H12O 2-Butanol, 3-methyl- c598754  
1415 C5H12O 2-Pentanol peol2  
1416 C5H12O 3-Pentanol pentan3ol  
1417 C5H12O Butane, 1-methoxy- meobu  
1418 C5H12O Propane, 1-ethoxy- proet  
1419 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1420 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1421 C5H12S 1-Butanethiol, 3-methyl- c541311  
1422 C5H12S 1-Pentanethiol c110667  
1423 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1424 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1425 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1426 C5H12S Butane, 1-(methylthio)- c628295  
1427 C5H12S Ethyl propyl sulfide c4110503  
1428 C5H12S Propane, 2-(ethylthio)- c5145993  
1429 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1430 C4F2 difluorobutadiyne c4f2  
1431 ClCOClCO Oxalyl chloride oxcl  
1432 CF3CN Acetonitrile, trifluoro- cf3cn  
1433 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1434 B2F4 Diboron tetrafluoride b2f4  
1435 B2Cl4 Diboron tetrachloride b2cl4  
1436 C2F4 Tetrafluoroethylene c2f4  
1437 C2F4+ Tetrafluoroethylene cation c2f4+  
1438 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1439 CF2CCl2 difluorodichloroethylene cf2ccl2  
1440 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1441 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1442 C2FCl3 fluorotrichloroethene c2fcl3  
1443 C2Cl4 Tetrachloroethylene c2cl4  
1444 C2Br4 tetrabromoethene c2br4  
1445 CF3OF Trifluoromethylhypofluorite cf3of  
1446 SiF5- silicon pentafluoride anion sif5-  
1447 SOF4 Sulfur tetrafluoride oxide sof4  
1448 AsF5 Arsenic pentafluoride asf5  
1449 PCl5 Phosphorus pentachloride pcl5  
1450 SF5 Sulfur pentafluoride sf5  
1451 SF5+ pentafluoro sulfur cation sf5+  
1452 SbCl5 Antimony pentachloride sbcl5  
1453 BrF5 bromine pentafluoride brf5  
1454 ClF5 chlorinepentafluoride clf5  
1455 IF5 pentafluoroiodine if5  
1456 CF3CHO trifluoroacetaldehyde cf3cho  
1457 CCl3CHO trichloroacetaldehyde ccl3cho  
1458 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1459 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1460 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1461 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1462 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1463 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1464 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1465 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1466 CF3COOH trifluoroacetic acid cf3cooh  
1467 C4H3ClO Furan, 2-chloro fur2cl  
1468 C4H3ClO Furan,3-chloro fur3cl  
1469 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1470 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1471 C4H8Cl2 1,4-Dichlorobutane c110565  
1472 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1473 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1474 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1475 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1476 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1477 C5H11Cl Pentane, 1-chloro- pencl1  
1478 C4H8O2 Butanoic acid bua  
1479 C6H5CH2 benzyl radical benzyl  
1480 C7H7+ cycloheptatrienyl cation c7h7+  
1481 C6H5CH3 toluene toluene  
1482 C7H8 cycloheptatriene cht  
1483 C7H8 Norbornadiene norbor  
1484 C7H8 Quadricyclane qucy  
1485 C7H12 Norbornane nor  
1486 C7H14 cycloheptane c7h14  
1487 C7H16 2-methylhexane 2mhex  
1488 C7H16 3-methylhexane hex3m  
1489 C7H16 heptane heptane  
1490 CH(CN)3 tricyanomethane mecn3  
1491 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1492 C6H7N 2-Methylpyridine mp  
1493 C6H5NH2 aniline aniline  
1494 C6H13N 2-Methylpiperidine pip2m  
1495 C6H13N cyclohexanamine cham  
1496 C6H15N triethylamine tea  
1497 N2O5 Dinitrogen pentoxide n2o5  
1498 C4H2O3 Maleic Anhydride malan  
1499 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1500 C6H5O phenoxy radical phenoxy  
1501 C5H5NO 2(1H)-Pyridinone c72762006  
1502 C5H5NO 2(3H)-Pyridinone c9000048  
1503 C5H5NO 2(5H)-Pyridinone c9000037  
1504 C5H5NO 2-Pyridinol c109104  
1505 C5H5NO 3(2H)-Pyridinone c9000004  
1506 C5H5NO 3(4H)-Pyridinone c9000026  
1507 C5H5NO 3(6H)-Pyridinone c9000015  
1508 C5H5NO 3-Pyridinol c109002  
1509 C5H5NO 4(1H)-Pryidinone c9000060  
1510 C5H5NO 4(3H)-Pryidinone c9000059  
1511 C5H5NO 4-Pyridinol c626642  
1512 C6H5OH phenol phenol  
1513 C6H6O 2,4-Cyclohexadienone c24599573  
1514 C6H6O 2,5-Cyclohexadienone c5664335  
1515 C6H5SH Benzenethiol phsh  
1516 HO2CCHNH2CH2OH Serine serine  
1517 C5H8O2 Acetylacetone acac  
1518 C4H8O2S Sulfolane sulfolane  
1519 C7H10 Norbornene norbornene  
1520 CH(C2H3)3 trivinyl methane tvm  
1521 C6H10O cyclohexanone chexo  
1522 C6H12O hexanal c6h12o  
1523 C3H7OC3H7 di-n-propyl ether propr  
1524 F2CCCF2 tetrafluoroallene pfa  
1525 CF3COO- trifluoro acetate anion cf3coo-  
1526 CF3COF trifluoroacetyl fluoride cf3cof  
1527 CF3COCl trifluoroacetyl chloride cf3cocl  
1528 PF6 Hexafluorophosphate neutral pf6  
1529 PF6- Hexafluorophosphate ion pf6-  
1530 SeF6 Selenium hexafluoride sef6  
1531 SF5Cl sulfur chloropentafluoride sf5cl  
1532 CF3CHF2 pentafluoroethane cf3chf2  
1533 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1534 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1535 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1536 CCl3CHCl2 pentachloroethane ccl3chcl2  
1537 C6H5F Fluorobenzene bzf  
1538 C6H5Cl chlorobenzene bzcl  
1539 C6H5Br bromobenzene bzbr  
1540 C8H6 Calicene calicene  
1541 C6H5CCH phenylacetylene phac  
1542 C8H6 benzocyclobutadiene bcbd  
1543 C8H6 Pentalene pentalene  
1544 C6H5CHCH2 Styrene styrene  
1545 C8H8 cyclooctatetraene cot  
1546 C6H5CH2CH3 Ethylbenzene etbz  
1547 CH3C6H4CH3 meta-xylene mxylene  
1548 CH3C6H4CH3 paraxylene pxylene  
1549 C8H14 Bicyclo[2.2.2]octane bico222  
1550 C8H16 cyclooctane cyclooct  
1551 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1552 C8H18 Octane c8h18  
1553 C6H5CN phenyl cyanide phcn  
1554 C6H12N2 Triethylenediamine ted  
1555 C4O4-- squarate dianion c4o4--  
1556 S4N4 Tetrasulfur tetranitride s4n4  
1557 S8 Octasulfur s8  
1558 C6H4O2 parabenzoquinone pbq  
1559 C4H4N2O2 Uracil uracil  
1560 C6H5OCH3 Anisole anisole  
1561 C5H9NO2 Proline proline  
1562 C6H12O2 Methyl pivalate c598981  
1563 C6H12O2 Hexanoic acid hexa  
1564 C4F4 tetrafluorcyclobutadiene c4f4  
1565 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1566 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1567 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1568 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1569 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1570 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1571 C2F6 hexafluoroethane c2f6  
1572 C2Cl6 hexachloroethane c2cl6  
1573 IF7 Iodine heptafluoride if7  
1574 C6H4F2 metadifluorobenzene mdfb  
1575 C6H4F2 orthodifluorobenzene odfb  
1576 C6H4F2 1,4-difluorobenzene pdfb  
1577 C6H4Cl2 1,2-dichlorobenzene dcb12  
1578 C6H4Cl2 1,3-dichlorobenzene dcb13  
1579 C6H4Cl2 1,4-dichlorobenzene dcb14  
1580 C6H5NO nitrosobenzene bzno  
1581 C9H8 Indene indene  
1582 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1583 C9H12 n-propyl benzene prbz  
1584 C9H20 Nonane nonane  
1585 C(CN)4 tetracyanomethane c5n4  
1586 C5H4N4 purine purine  
1587 C8H7N Indole indole  
1588 C3H3N3O3 cyanuric acid cyanuric  
1589 C6H5NO2 Nitrobenzene c6h5no2  
1590 C6H5COOH benzoic acid benzo  
1591 CH3COC6H5 acetophenone acph  
1592 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1593 C3F6 hexafluoropropene c3f6  
1594 C6H3F3 Benzene trifluoride 123 bzf3a  
1595 C8H18O 1-Octanol octanol  
1596 C10H8 Azulene azu  
1597 C10H8 naphthalene naph  
1598 C10H10 bullvalene bullv  
1599 C10H16 adamantane adamantane  
1600 C6N4 Tetracyanoethylene tcne  
1601 C6N4- tetracyanoethylene anion tcne-  
1602 C10H22 Decane decane  
1603 C4F6 perfluorobutadiene c4f6  
1604 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1605 C3F8 perfluoropropane c3f8  
1606 Fe(CO)5 Iron pentacarbonyl ipc  
1607 Fe(C5H5)2 ferrocene fecp2  
1608 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1609 C12H8 Acenaphthylene acenaph  
1610 C12H8 biphenylene biph  
1611 C12H10 biphenyl biphenyl  
1612 C12H10 Heptalene heptalene  
1613 C6H12O6 Inositol inositol  
1614 C6F6 hexafluorobenzene c6f6  
1615 S2F10 disulphur decafluoride s2f10  
1616 C14H10 Anthracene anth  
1617 C14H10 Phenanthrene phenanthrene  
1618 C14H14 Bibenzyl bibenzyl  
1619 C12H10N2 azobenzene azobenzene  
1620 C6H5COC6H5 benzophenone benzophenone  
1621 C16H10 Pyrene pyrene  
1622 C18H12 Tetracene tetracene  
1623 C19H16 Triphenylmethane tpm  
1624 C24H12 Coronene coronene  
1625 C60 Buckminsterfullerene c60