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Computational Chemistry Comparison and Benchmark DataBase
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 CISD /cc-pVDZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H2 Hydrogen diatomic 1ΣgD∞h
3 He Helium atom 1SKh
4 He Helium atom   
5 He+ Helium atom cation 2SKh
6 HeH+ Helium hydride cation 1ΣC∞v
7 He2+ helium diatomic cation 2ΣuD∞h
8 Li Lithium atom 2SKh
9 Na Sodium atom 2SKh
10 LiH Lithium Hydride 1ΣC∞v
11 Be Beryllium atom 1SKh
12 Be+ Beryllium atom cation 2SKh
13 Mg Magnesium atom 1SKh
14 Mg+ Magnesium atom cation 2SKh
15 Ca Calcium atom 1SKh
16 MgH magnesium monohydride 2ΣC∞v
17 ZnH+ Zinc, protonated   
18 BeH2+ Beryllium dihydride cation   
19 B Boron atom 2PKh
20 B Boron atom 4PKh
21 B+ Boron atom cation 1SKh
22 Al Aluminum atom 2PKh
23 Al- Aluminum atom anion 3PKh
24 Al+ Aluminum atom cation 1SKh
25 Ga Gallium atom 2P 
26 Ga- Gallium atom anion 3POh
27 Ga+ Gallium atom cation 1S 
28 GaH Gallium monohydride 1ΣC∞v
29 GaH+ Gallium monohydride cation 2ΣC∞v
30 BH3+ boron trihydride cation 2B2C2v
31 BH3+ boron trihydride cation  C2v
32 AlH3- aluminum trihydride anion  C3v
33 BH4- borohydride anion 1A1Td
34 C Carbon atom 3P0Kh
35 C Carbon atom 3P1Kh
36 C+ Carbon atom cation 2PKh
37 Si Silicon atom 3PKh
38 Si Silicon atom 1SKh
39 Si- Silicon atom anion 4SKh
40 Si+ Silicon atom cation 2PKh
41 Ge Germanium atom 3PKh
42 Ge- Germanium anion 4SKh
43 Ge+ Germanium cation 2PKh
44 CH Methylidyne 2Π1/2C∞v
45 SiH Silylidyne 2ΠC∞v
46 GeH germylidene 2ΠC∞v
47 CH2- methylene anion 2B1C2v
48 GeH2 germylene 1A1C2v
49 CH3+ methyl cation 1A1'D3h
50 SiH3 Silyl radical 2A1C3v
51 SiH3+ Silyl cation 1A1'D3h
52 GeH3 Germyl radical 2A1C3v
53 GeH3+ germyl cation 1A1'D3h
54 CH4 Methane 1A1Td
55 SiH2D2 silane-d2   
56 GeH4 Germane 1A1Td
57 SiH5+ Silane, protonated   
58 N Nitrogen atom 4SKh
59 N Nitrogen atom 2DKh
60 N+ Nitrogen atom cation 3PKh
61 P Phosphorus atom 4SKh
62 As Arsenic atomic 4SKh
63 As- Arsenic anion 3PKh
64 As+ Arsenic cation 3PKh
65 PH phosphorus monohydride 3Σ-C∞v
66 AsH Arsenic monohydride 3ΣC∞v
67 NH2 Amino radical 2B1C2v
68 NH2+ Amino cation 3B1C2v
69 NH2+ Amino cation 1A1C2v
70 NH3 Ammonia 1A1C3v
71 PH3 Phosphine 1A1C3v
72 PH3+ Phosphine cation 2A1C3v
73 AsH3 Arsine 1A1C3v
74 AsH3+ Arsine cation 2A1C3v
75 AsH4+ Arsonium   
76 NH4 Ammonium radical   
77 PH4 Phosphoranyl radical   
78 O Oxygen atom 3SKh
79 O+ Oxygen atom cation 4SKh
80 S Sulfur atom 3PKh
81 S Sulfur atom   
82 Se Selenium atom 3PKh
83 Se- Selenium atom anion 2PKh
84 Se+ Selenium atom cation 4SKh
85 OH Hydroxyl radical 2ΠC∞v
86 OH+ hydoxyl cation 3ΣC∞v
87 HS- mercapto anion 1ΣC∞v
88 HS+ sulfur monohydride cation 3ΣC∞v
89 CrH Chromium hydride 6ΣC∞v
90 HSe Selenium monohydride 2ΠC∞v
91 HSe- selenium monohydride anion 1ΣC∞v
92 HSe+ selenium monohydride cation 3ΣC∞v
93 H2O Water 1A1C2v
94 H2O- water anion 2A1C2v
95 H2O- water anion 2A'Cs
96 H2O+ water cation 2B1C2v
97 HDO Water-d1 1A1C2v
98 H2Se Hydrogen selenide 1A1C2v
99 H2Se+ Hydrogen selenide cation 2B1C2v
100 H3S+ Sulfonium cation 1A1C3v
101 H3Se+ Hydrogen Selenide, protonated 1A1C3v
102 F Fluorine atom 2PKh
103 F+ Fluorine atom cation 3SKh
104 Cl Chlorine atom 2PKh
105 Cl+ Chlorine atom cation 3PKh
106 Br Bromine atom 2PKh
107 Br- Bromine atom anion 1SKh
108 Br+ Bromine atom cation 3PKh
109 HF Hydrogen fluoride 1ΣC∞v
110 HF- hydrogen fluoride anion 2ΣC∞v
111 HF+ hydrogen fluoride cation 2ΠC∞v
112 HCl Hydrogen chloride 1ΣC∞v
113 HCl- hydrogen chloride anion 2ΣC∞v
114 HCl+ hydrogen chloride cation 2ΠC∞v
115 HBr hydrogen bromide 1ΣC∞v
116 HBr- hydrogen bromide anion 2ΣC∞v
117 HBr+ hydrogen bromide cation 2ΠC∞v
118 H2Cl+ dihydrogen monochloride cation 1A1C2v
119 H2Br+ protonated hydrogen bromide 2A1C2v
120 Ne Neon atom 1SKh
121 Ne Neon atom   
122 Ne+ Neon atom cation 2PKh
123 Ar Argon atom 1SKh
124 Kr Krypton atom 1SKh
125 Kr+ Krypton cation 2PKh
126 HeLi+ Helium Lithium cation   
127 ArH+ Argon hydride cation 1ΣC∞v
128 KrH+ Protonated Krypton 1ΣC∞v
129 NaLi lithium sodium 1ΣC∞v
130 Na2 Sodium diatomic 1ΣgD∞h
131 Na2- sodium diatomic anion 2ΣuD∞h
132 LiAl Lithium Aluminum   
133 HBBH Diborane(2) 3ΣGD∞h
134 B2H4 Diborane(4) D2d 1A1D2d
135 B2H6 Diborane 1AgD2h
136 B2H6+ Diborane cation   
137 CaC Calcium monocarbide   
138 BSi Boron silicide 4ΣC∞v
139 BSi Boron silicide 2ΣC∞v
140 Si2 Silicon diatomic 3ΣgD∞h
141 GeC Germanium monocarbide 1ΣC∞v
142 SiGe Silicon Germanium   
143 C2H- Ethynyl anion 1ΣC∞v
144 C2H2 Acetylene 1ΣgD∞h
145 C2H2+ acetylene cation 2ΠuD∞h
146 C2H2+ acetylene cation   
147 H2CC- vinylidene anion   
148 HCCH- acetylene anion   
149 HCCH- acetylene anion   
150 Si2H2 disilyne   
151 Si2H2 disilyne   
152 Si2H2 disilyne   
153 Si2H2 disilyne   
154 CH3Li methyl lithium 1A1C3v
155 C2H3 vinyl 2A'Cs
156 C2H3+ vinyl cation 1A1C2V bridging H
157 C2H3+ vinyl cation 1A1C2V HCCH2
158 C2H4 Ethylene 1AgD2h
159 Si2H4 Disilene   
160 Si2H4 Disilene   
161 Si2H4 Disilene   
162 C2H5 Ethyl radical 2A'Cs
163 C2H6 Ethane 1A1gD3d
164 Si2H6 disilane 1EuD3d
165 LiN Lithium Nitride 3ΣC∞v
166 LiP Lithium monophosphide   
167 LiP Lithium monophosphide   
168 MgN Magnesium Nitride   
169 MgN Magnesium Nitride   
170 GaAs Gallium arsenide 3Π 
171 GaAs Gallium arsenide 1Σ 
172 BN boron nitride 3ΠC∞v
173 AlN Aluminum nitride 3ΠiC∞v
174 CN Cyano radical 2ΣC∞v
175 SiP Silicon monophosphide 2ΠC∞v
176 N2 Nitrogen diatomic 1ΣgD∞h
177 N2 Nitrogen diatomic   
178 PN Phosphorus mononitride 1ΣC∞v
179 HCN Hydrogen cyanide 1ΣC∞v
180 HCN+ hydrogen cyanide cation 2ΠC∞v
181 HNC+ hydrogen isocyanide cation   
182 HCP+ Phosphaethyne cation   
183 NNH+ Dinitrogen monohydride cation 1ΣC∞v
184 LiNH2 lithium amide   
185 HBNH Boranimine 1ΣC∞v
186 H2NN Isodiazene   
187 CH2NH Methanimine 1A'Cs
188 CH2NH+ Methanimine cation   
189 CHNH2 aminomethylene   
190 CHNH2+ Aminocarbene cation   
191 BH2NH2 Boranamine   
192 CH3NH2 methyl amine 1A'Cs
193 SiH3NH2 Silane, amino   
194 BH3PH3 borane phosphine   
195 CH3NH3 methyl ammonium radical 2A1C3v
196 N2H7+ ammonia ammonium dimer   
197 LiSe Lithium monoselenide   
198 CaO Calcium monoxide 1ΣC∞v
199 CaS Calcium sulfide 1ΣC∞v
200 BO boron monoxide 2ΣC∞v
201 BO- boron monoxide anion 1ΣC∞v
202 GaO Gallium monoxide 2ΣC∞v
203 GaS Gallium monosulfide   
204 CO Carbon monoxide 1ΣC∞v
205 CO+ carbon monoxide cation 2ΣC∞v
206 CS carbon monosulfide 1ΣC∞v
207 SiO Silicon monoxide 1ΣC∞v
208 SiS silicon monosulfide 1ΣC∞v
209 CSe Carbon monoselenide 1ΣC∞v
210 GeO Germanium monoxide 1ΣC∞v
211 SiSe Silicon Monoselenide   
212 SiSe+ Silicon Monoselenide cation   
213 GeSe Germanium monoselenide   
214 NO Nitric oxide 2ΠC∞v
215 NO- nitric oxide anion 3ΣC∞v
216 NO+ nitric oxide cation 1ΣC∞v
217 PS phosphorus sulfide 2ΣC∞v
218 O2 Oxygen diatomic 3ΣgD∞h
219 O2-- dioxygen dianion   
220 SO Sulfur monoxide 3ΣC∞v
221 SO Sulfur monoxide 1ΣC∞v
222 SO+ sulfur monoxide cation 2ΠC∞v
223 S2 Sulfur diatomic 3ΣgD∞h
224 SeO Selenium monoxide 3ΣC∞v
225 Se2 Selenium diatomic 3ΣgD∞h
226 LiOH lithium hydroxide 1ΣC∞v
227 BeOH beryllium monohydroxide 2A'Cs
228 HBO Boron hydride oxide 1ΣC∞v
229 HBS hydrogen boron sulfide 1ΣC∞v
230 COH Hydroxymethylidyne   
231 HCO Formyl radical 2A'Cs
232 HCO- formyl anion 1A'Cs
233 HCO+ Formyl cation 1ΣC∞v
234 HNO Nitrosyl hydride 1A'Cs
235 HNO+ Nitrosyl hydride cation 2A'Cs
236 HO2 Hydroperoxy radical 2A"Cs
237 HSO+ Sulfur Monoxide, S-protonated   
238 SOH Sulfur Hydroxide   
239 SOH+ Sulfur Monoxide, protonated   
240 H2CO Formaldehyde 1A1C2v
241 H2CO- formaldehyde anion 2A'Cs
242 H2CO- formaldehyde anion   
243 H2CO+ formaldehyde cation 2B2C2v
244 H2CS Thioformaldehyde 1A1C2v
245 H2CS- thioformaldehyde anion   
246 H2CS- thioformaldehyde anion   
247 H2CSe Selenoformaldehyde   
248 H2O2 Hydrogen peroxide 1AC2
249 H2O2 Hydrogen peroxide 1AgC2h
250 H2OO water oxide   
251 HOSH hydrogen thioperoxide   
252 H2Se2 hydrogen diselenide   
253 NH2OH hydroxylamine 1A'Cs
254 NH2OH+ Hydroxylamine cation   
255 NH2SH Thiohydroxylamine   
256 NH2SH Thiohydroxylamine   
257 NH3S sulfidoazane   
258 CH3OH Methyl alcohol 1A'Cs
259 CH3OH+ Methyl alcohol cation 2A"Cs
260 SiH3OH silanol   
261 NH2OH2+ protonated hydroxylamine   
262 NH3OH+ N-protonated hydroxylamine   
263 H5O2+ Dihydroxonium ion 1AC2
264 LiF lithium fluoride 1ΣC∞v
265 LiCl lithium chloride 1ΣC∞v
266 NaF+ sodium fluoride cation 2ΣC∞v
267 LiBr Lithium Bromide 1ΣC∞v
268 LiF+ lithium fluoride cation 2ΠC∞v
269 CaBr Calcium monobromide   
270 BF Boron monofluoride 1ΣC∞v
271 AlF Aluminum monofluoride 1Σ+C∞v
272 GaF Gallium monofluoride 1ΣC∞v
273 AlBr Aluminum monobromide   
274 GaCl Gallium monochloride 1ΣGC∞v
275 GaBr Gallium monobromide   
276 CF Fluoromethylidyne 2ΠC∞v
277 CF- carbon monofluoride anion 3ΣC∞v
278 SiCl Clorosilylidyne 2ΠC∞v
279 CBr Carbon monobromide 2ΠC∞v
280 GeF Germanium monofluoride 2ΠC∞v
281 GeCl Germanium monochloride 2ΠC∞v
282 GeCl+ Germanium monochloride cation   
283 SiBr Silicon monobromide 2ΠC∞v
284 SiBr+ Silicon monobromide cation   
285 NCl nitrogen monochloride 3ΣC∞v
286 PBr Phosphorus monobromide   
287 ClO Monochlorine monoxide 2ΠC∞v
288 ClO+ chlorine monoxide cation 3ΣC∞v
289 SF Monosulfur monofluoride 2ΠC∞v
290 SF+ sulfur monofluoride cation 3ΣC∞v
291 SCl+ sulfur monochloride cation 3ΣgC∞v
292 BrO Bromine monoxide 2ΠC∞v
293 BrO+ Bromine monoxide cation   
294 SBr Sulfur monobromide radical   
295 SBr+ Sulfur monobromide cation   
296 SeBr Selenium monobromide   
297 BrCl Bromine monochloride 1ΣC∞v
298 F2 Fluorine diatomic 1ΣgD∞h
299 F2+ flourine diatomic cation 2ΠgD∞h
300 ClF Chlorine monofluoride 1Σ+C∞v
301 ClF+ clorine monofluoride cation 2ΠC∞v
302 Cl2 Chlorine diatomic 1ΣgD∞h
303 Cl2+ chlorine diatomic cation 2ΠgD∞h
304 BrF Bromine monofluoride 1ΣC∞v
305 Br2 Bromine diatomic 1ΣgD∞h
306 Br2- bromine diatomic anion 2ΣuD∞h
307 Br2+ bromine diatomic cation 2ΠgD∞h
308 HCF Fluoromethylene 1A'Cs
309 HCF Fluoromethylene 3A"Cs
310 HSiF fluorosilylene   
311 HSiCl Chlorosilylene   
312 HSiBr monobromosilylene   
313 HOF Hypofluorous acid 1A'Cs
314 HOCl hypochlorous acid 1A'Cs
315 HOCl+ hypochlorous acid cation   
316 F2H+ Fluorine, protonated 1A'Cs
317 ClFH+ Chlorine fluoride, F-protonated   
318 FClH+ Chlorine fluoride, Cl-protonated   
319 Cl2H+ Chlorine, protonated 1A'Cs
320 CH2Br bromomethyl radical   
321 CH2F fluoromethyl radical 2ACs
322 CH2F+ fluoromethyl cation   
323 CH2Cl+ chloromethyl cation   
324 CH2Cl chloromethyl radical 2A'Cs
325 CH2Cl chloromethyl radical 2B1C2v
326 NH2Cl chloramine 1A'Cs
327 CH3F+ methyl fluoride cation   
328 CH3Cl Methyl chloride 1A1C3v
329 SiH3F monofluorosilane 1A1C3v
330 SiH3Cl chlorosilane 1A1C1
331 CH3Br methyl bromide 1A1C3v
332 GeH3F monofluorogermane   
333 GeH3Cl monochlorogermane   
334 NH3Cl+ protonated monochloroammonia   
335 CH3ClH+ methyl chloride, protonated   
336 NH4Cl Ammonium chloride   
337 LiNe+ Lithium Neon cation   
338 Ar2 Argon diatomic 1SgD∞h
339 C3 carbon trimer 1ΣgD∞h
340 C3 carbon trimer 1A1C2v
341 SiC2 Silicon dicarbide   
342 C3H4 cyclopropene 1A1C2v
343 CH2CCH2 allene 1A1D2d
344 CH3CCH propyne 1A'C3v
345 C3H5 Allyl radical 2A2C2v
346 C3H6 Cyclopropane 1A1'D3h
347 CH2CHCH3 Propene 1A'Cs
348 C3H7 n-Propyl radical 2A"C1
349 CH3CHCH3 Isopropyl radical 2AC2
350 C3H8 Propane 1A1C2v
351 Si3H8 trisilane   
352 ZnCN Zinc monocyanide 2ΣC∞v
353 ZnNC Zinc isocyanide 2ΣC∞v
354 AlCN Aluminum monocyanide   
355 AlNC Aluminum isocyanide   
356 CNN Diazocarbene   
357 HN3 hydrogen azide 1A'Cs
358 HN3+ Hydrazoic acid cation   
359 HNCNH diiminomethane 1AC2
360 HNNNH+ 1,2-Triazadienium   
361 NH2NN+ hydrazoic acid, protonated   
362 CH3CN Acetonitrile 1A1C3v
363 CH3CN- acetonitrile anion 2EC3v
364 CH3CN- acetonitrile anion 2A'Cs
365 CHNCH2 2H-Azirine   
366 CHNHCH 1H-Azirine   
367 H2CCNH Ethenimine   
368 H2CNCH methyleneaminomethylene   
369 HCCNH2 Ethynamine   
370 HCNCH2+ 2H-Azirine cation   
371 NH2CNH+ cyanamide, cn protonated   
372 NH3CN+ cyanamide, amine protonated   
373 C2H6N+ aziridine, protonated 1A1C2v
374 CH3CH2NH2 Ethylamine 1A'Cs
375 CH3CH2NH2 Ethylamine   
376 Na2S Sodium sulfide   
377 Na2S Sodium sulfide   
378 LiO2 Lithium dioxide   
379 NaO2 Sodium superoxide   
380 NCO isocyanato radical 2ΠC∞v
381 N2O Nitrous oxide 1ΣC∞v
382 CO2 Carbon dioxide 1ΣgD∞h
383 OCS Carbonyl sulfide 1ΣC∞v
384 CS2 Carbon disulfide 1ΣgD∞h
385 GeO2 Germanium dioxide 1ΣgD∞h
386 OCSe Carbonyl selenide 1ΣC∞v
387 SCSe Carbon sulfide selenide   
388 NSO sulfinyl amidogen   
389 SNO Nitrogen oxide sulfide   
390 SO2 Sulfur dioxide 1A1C2v
391 SSO Disulfur monoxide 1A'Cs
392 S3 Sulfur trimer 1A1C2v
393 S3 Sulfur trimer   
394 SeO2 Selenium dioxide 1A1C2v
395 HCCO ketenyl radical 2ΠC∞v
396 HCCO ketenyl radical 2A"Cs
397 HCNO fulminic acid 1ΣC∞v
398 HNCS Isothiocyanic acid   
399 HSCN thiocyanic acid 1A'Cs
400 HOCO Hydrocarboxyl radical 1A'cis
401 HOCO Hydrocarboxyl radical 1A'trans
402 O3H+ protonated ozone 1A'Cs
403 O3H+ protonated ozone   
404 C2H2O Oxirene 1A1C2v
405 CH2CO Ketene 1A1C2v
406 CH2CS Thioketene   
407 Be(OH)2 Beryllium hydroxide   
408 Be(OH)2 Beryllium hydroxide   
409 HCOOH Formic acid 1A'Cs
410 HCOOH Formic acid   
411 BH3CO Borane carbonyl 1A1C3v
412 CH2COH+ ketene, protonated   
413 CH3CO Acetyl radical 2A'Cs
414 HOCHNH hydroxymethylimine 1A'CS H all up
415 CHSNH2 thioformamide   
416 NHCHSH Methanimidothioic acid   
417 C2H4O Ethylene oxide 1A1C2v
418 C2H4O+ ethylene oxide cation   
419 CH3CHO Acetaldehyde 1A'Cs
420 CH3CHO+ acetaldehyde cation   
421 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
422 C2H4S Thiirane 1A1C2v
423 CH2CHSH Ethenethiol   
424 CH3CHS Thioacetaldehyde 1A'C1
425 NH2CHOH+ Formamide, O-protonated   
426 CH3SSH Hydrogen methyl disulfide   
427 HSCH2SH Methanedithiol   
428 C2H4OH+ ethylene oxide, protonated 1A'Cs
429 NH2CH2OH aminomethanol   
430 CH3CH2SH ethanethiol 1A'Cs
431 CH3CH2SH ethanethiol 1AC1
432 CH3SCH3 Dimethyl sulfide 1A1C2v
433 CH3SCH3+ dimethyl sulfide cation   
434 BrCN Cyanogen bromide 1ΣC∞v
435 FBO Boron monofluoride monoxide   
436 BeBr2 Beryllium bromide   
437 CaBr2 Calcium dibromide   
438 BF2 Boron difluoride radical 2A1C2v
439 FNO Nitrosyl fluoride 1A'Cs
440 ClNO Nitrosyl chloride 1A'Cs
441 FSN Thiazyl fluoride 1A'Cs
442 OPCl Phosphorus oxychloride   
443 CF2 Difluoromethylene 1A1D∞h
444 SiF2 Silicon difluoride 1A1C2v
445 GeCl2 Germanium dichloride 1A1C2v
446 FOO+ Fluorine dioxide cation   
447 OClO Chlorine dioxide 2B1D∞h
448 OClO- Chlorine dioxide anion 1A'Cs
449 BrOO Bromine dioxide   
450 PF2 Phosphorus difluoride   
451 PF2+ Phosphorus difluoride cation   
452 SF2 sulfur difluoride 1A1C2v
453 SeF2 Selenium difluoride   
454 SeCl2 Selenium Dichloride   
455 SBr2 Sulfur dibromide   
456 SeBr2 Selenium dibromide   
457 Br3- tribromide anion   
458 SFCl Sulfur chloride fluoride   
459 HCCF Fluoroacetylene 1ΣC∞v
460 CHF2 difluoromethyl radical 2ACs
461 CHF2+ difluoromethyl cation   
462 CHFCl Chlorofluoromethyl radical   
463 CHFCl+ Chlorofluoromethyl cation   
464 CHCl2+ dichloromethyl cation   
465 CHBr2 dibromomethyl radical   
466 NHF2 difluoramine   
467 NHCl2 dichloroamine   
468 CH2F2 Methane, difluoro- 1A1C2v
469 SiH2F2 difluorosilane   
470 CH2Cl2 Methylene chloride 1A1C2v
471 CH2BrCl Methane, bromochloro- 1A'Cs
472 CH2Br2 dibromomethane 1A1C2v
473 CH3MgBr Methyl Magnesium Bromide   
474 CH2CHF Ethene, fluoro- 1A'Cs
475 CH2FOH fluoromethanol   
476 C2H5Br Ethyl bromide 1A'Cs
477 C4 Carbon tetramer 3ΣgD∞h
478 C4 Carbon tetramer   
479 C4H2+ diacetlyene cation 2ΠgD∞h
480 C4H4 Tetrahedrane   
481 C4H6 1-Methylcyclopropene 1AC1
482 CH2CHCH2CH3 1-Butene 1AC1
483 CH3CH2CH2CH3 Butane 1AgAnti
484 As4 Arsenic tetramer 1A1Td
485 H2CNCN cyanamide, methylene   
486 HNCCNH Ethenediimine   
487 C2H5CN ethyl cyanide 1A'Cs
488 H2NCHCHNH2 diaminoethylene   
489 N(SiH3)3 trisilylamine   
490 Na2O2 disodium dioxide   
491 ONNO NO dimer 1Agtrans C2H
492 ONNO NO dimer 1A1cis C2V
493 CS3-- Carbonotrithioate   
494 SO3 Sulfur trioxide 1A1'D3h
495 SO3-- Sulfate dianion   
496 S4 Sulfur tetramer   
497 S4 Sulfur tetramer   
498 S4 Sulfur tetramer   
499 HNO3 Nitric acid 1A'Cs
500 C3H2O Propadienal   
501 C3H2O Propadienal   
502 C2H2O2 Ethanedial 1AgC2h
503 CH3NCO methylisocyante   
504 HOCH2CN cyanomethanol   
505 CH3NO2 Methane, nitro- 1A'Cs
506 H3AlO3 Aluminum hydroxide   
507 CH2CHCHO Acrolein 1A'Cs
508 CH2CHCHO Acrolein   
509 CH2C(OH)NH2 1-amino vinyl alchohol   
510 CH3C(OH)=NH Ethaninidic acid   
511 CH3CSNH2 Ethanethioamide   
512 CH3CH2CHO Propanal 1A'Cs
513 CH3SSCH3 Disulfide, dimethyl 1AC2
514 C3H7OH 1-Propanol   
515 Li2F2 Lithium fluoride dimer   
516 CF2O Carbonic difluoride 1A1C2v
517 CF2O+ Carbonic difluoride cation   
518 BF3 Borane, trifluoro- 1A'D3h
519 BF3+ boron trifluoride cation   
520 AlF3 Aluminum trifluoride 1A1'D3h
521 BClF2 Chlorodifluoroborane   
522 BCl3 Borane, trichloro- 1A1'D3h
523 BCl3+ Boron Trichloride cation   
524 GaF3 Gallium trifluoride 1A1'D3h
525 GaCl3 Gallium trichloride 1A1'D3h
526 CF2Cl difluorochloromethyl radical   
527 CFCl2 dichlorofluoromethyl radical   
528 CBr3 tribromomethyl radical   
529 SSCl2 Thiothionyl chloride   
530 NF3 Nitrogen trifluoride 1A1C3v
531 NCl3 nitrogen trichloride 1A1C3v
532 NBr3 Nitrogen Tribromide 1A1C3v
533 HClO3 Chloric Acid 1A'Cs
534 HClO3 Chloric Acid 1AC1
535 CHF3 Methane, trifluoro- 1A1C3v
536 SiHF3 trifluorosilane   
537 CHBrF2 Methane, bromodifluoro- 1A'Cs
538 CHBrCl2 Methane, bromodichloro- 1A'Cs
539 CHBr2F dibromofluoromethane   
540 AsF3H+ Arsenic trifluoride, protonated   
541 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
542 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
543 C2H4F2 1,2-difluoroethane 1AgC2H anti
544 C2H4F2 1,2-difluoroethane 1AC2 gauche
545 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
546 CH2BrCH2Cl 1-bromo-2-chloroethane   
547 CH2BrCH2Cl 1-bromo-2-chloroethane   
548 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
549 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
550 CH2CHCH2F Allyl Fluoride   
551 CH2CHCH2F Allyl Fluoride   
552 CH3CHCHF trans-1-Fluoro-1-propene   
553 CH2FCH2OH 2-fluoroethanol   
554 CH2FCH2CH3 1-Fluoropropane   
555 CH3CHFCH3 2-Fluoropropane 1A'Cs
556 B5H9 pentaborane9   
557 C5H4 pentatetraene   
558 C5H8 Bicyclo[1.1.1]pentane   
559 C4H5N Pyrrole 1A1C2v
560 C3O2 Carbon suboxide 1ΣGD∞h
561 B2O3 diboron trioxide   
562 B2O3 diboron trioxide   
563 CHOOCHO diformyl ether   
564 C3H3NO Isoxazole 1A'Cs
565 C3H3NS Thiazole   
566 C4H4Se selenophene   
567 HCOOC2H5 Ethyl formate 1A'Cs
568 C2H6O2S Dimethyl sulfone 1A1C2v
569 C4H8S Thiophene, tetrahydro- 1AC1
570 C4H10O Methyl propyl ether 1AC1
571 CF3Cl Methane, chlorotrifluoro- 1A1C3v
572 CF2Cl2 difluorodichloromethane 1A1C2v
573 CF3Br Bromotrifluoromethane 1A1C3v
574 GeF4 Germanium tetrafluoride 1A1Td
575 CBrCl2F bromodichlorofluoromethane   
576 CBr2ClF dibromochlorofluoromethane   
577 CBr2Cl2 dibromodichloromethane 1A1C2v
578 CBr3Cl tribromochloromethane 1A1C3v
579 CBr4 Carbon tetrabromide 1A1Td
580 GeBr4 Germanium tetrabromide   
581 SF4 Sulfur tetrafluoride 1A1C2v
582 SeF4 Selenium tetrafluoride   
583 SCl4 Sulfur tetrachloride   
584 CH2ClCCCl 1,3-dichloropropyne   
585 CHCl2CCH 3,3-dichloropropyne   
586 CHCl2CHO dichloroacetaldehyde   
587 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
588 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
589 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
590 CH2FCH2CH2F 1,3-difluoropropane   
591 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
592 C2H2N2O Furazan   
593 C6H6 Prismane   
594 C6H6 1,2,4,5-Hexatetraene 1AgC2h
595 C6H6 Dewar Benzene   
596 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
597 C4H4N2 Pyrazine 1AgD2h
598 C3H2O3 vinylene carbonate   
599 C5H6O 2H-Pyran   
600 C5H6O Pentadienal   
601 C4H6O2 γ–Butyrolactone 1AC1
602 C3H6O3 1,3,5-Trioxane 1A1C1
603 C5H10O 3-Pentanone 1A1C2v
604 C4F2 difluorobutadiyne   
605 C2ClF3 Ethene, chlorotrifluoro-   
606 C2Br4 tetrabromoethene   
607 SiF5- silicon pentafluoride anion   
608 CH2ClCCl3 1,1,1,2-tetrachloroethane   
609 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
610 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
611 CH(CN)3 tricyanomethane   
612 HN=C=C(CN)2 Dicyanoketenimine   
613 C6H12O Oxepane   
614 F2CCCF2 tetrafluoroallene   
615 SF6 Sulfur Hexafluoride 1A1GOh
616 C6H5CHO benzaldehyde 1A'Cs
617 C2Cl6 hexachloroethane 1A1gD3d
618 C6H5NO nitrosobenzene 1A'Cs
619 C3F6 hexafluoropropene   
620 C8H18O 1-Octanol   
621 C10H10 bullvalene   

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 anion h-  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He- Helium atom anion he-  
12 HeH Helium hydride heh  
13 Li- Lithium atom anion li-  
14 Li+ Lithium atom cation li+  
15 Na- Sodium atom anion na-  
16 Na+ Sodium atom cation na+  
17 K Potassium atom k  
18 K- Potassium atom anion k-  
19 K+ Potassium atom cation k+  
20 Cu Copper atom cu  
21 Cu- Copper atom anion cu-  
22 Cu+ Copper atom cation cu+  
23 LiH- lithium hydride anion lih-  
24 LiH+ lithium hydride cation lih+  
25 NaH sodium hydride nah  
26 NaH- sodium hydride anion nah-  
27 NaH+ sodium hydride cation nah+  
28 KH Potassium hydride kh  
29 KH+ Potassium hydrogen cation kh+  
30 CuH Copper monohydride cuh  
31 Be- Beryllium atom anion be-  
32 Mg- Magnesium atom anion mg-  
33 Ca- Calcium atom anion ca-  
34 Ca+ Calcium atom cation ca+  
35 Zn Zinc atom zn  
36 Zn- Zinc atom anion zn-  
37 Zn+ Zinc atom cation zn+  
38 BeH beryllium monohydride beh  
39 BeH- berylium monohydride anion beh-  
40 BeH+ beryllium monohydride cation beh+  
41 MgH- magnesium monohydride anion mgh-  
42 MgH+ magnesium monohydride cation mgh+  
43 CaH Calcium monohydride cah  
44 CaH+ Calcium monohydride cation cah+  
45 TiH Titanium monohydride tih  
46 ZnH Zinc monohydride znh  
47 BeH2 beryllium dihydride beh2  
48 MgH2 magnesium dihydride mgh2  
49 CaH2 Calcium Hydride cah2  
50 ZnH2 Zinc hydride znh2  
51 B- Boron atom anion b-  
52 Sc Scandium atom sc  
53 Sc+ Scandium cation sc+  
54 BH Boron monohydride bh  
55 BH- boron monohydride anion bh-  
56 BH+ boron monohydride cation bh+  
57 AlH aluminum monohydride alh  
58 AlH- aluminum monohydride anion alh-  
59 AlH+ aluminum monohydride cation alh+  
60 ScH Scandium monohydride sch  
61 ScH+ Scandium monohydride cation sch+  
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 alh3  
71 AlH3+ aluminum trihydride cation alh3+  
72 ScH3 Scandium trihydride sch3  
73 GaH3 Gallium trihydride gah3  
74 BH4 borohydride bh4  
75 AlH4- Aluminum tetrahydride anion alh4-  
76 C- Carbon atom anion c-  
77 Ti Titanium atom ti  
78 Ti- Titanium atom anion ti-  
79 Ti+ Titanium atom cation ti+  
80 Sn Tin atom sn  
81 Sn+ Tin cation sn+  
82 CH- methylidyne anion ch-  
83 CH+ Methylidyne cation ch+  
84 SiH- silicon monohydride anion sih-  
85 SiH+ silicon monohydride cation sih+  
86 GeH+ Germaniun monohyrdide cation geh+  
87 CH2 Methylene ch2  
88 CH2+ methylene cation ch2+  
89 SiH2 silicon dihydride sih2  
90 SiH2- silicon dihydride anion sih2-  
91 SiH2+ silicon dihydride cation sih2+  
92 GeH2- germylene anion geh2-  
93 CH3 Methyl radical ch3  
94 CH3- methyl anion ch3-  
95 SiH3- Silyl anion sih3-  
96 CD4 methane-d4 cd4  
97 CH2D2 methane-d2 ch2d2  
98 CH3D methane-d ch3d  
99 CH4- Methane anion ch4-  
100 CH4+ Methane cation ch4+  
101 CHD3 methane-d3 chd3  
102 SiH4 Silane sih4  
103 SiH4+ Silane cation sih4+  
104 SnH4 Stannane snh4  
105 N- Nitrogen atom anion n-  
106 P- Phosphorus atom anion p-  
107 P+ Phosphorus atom cation p+  
108 V Vanadium atom v  
109 V+ Vanadium atom cation v+  
110 Sb Antimony atom sb  
111 NH Imidogen nh  
112 NH- Imidogen anion nh-  
113 NH+ imidogen cation nh+  
114 PH- phosphorus monohydride anion ph-  
115 PH+ phosphorus monohydride cation ph+  
116 AsH+ Arsenic monohydride cation ash+  
117 SbH Antimony monohydride sbh  
118 ND2 Amidogen-d2 nd2  
119 NH2- amino anion nh2-  
120 PH2 Phosphino radical ph2  
121 PH2- Phosphino anion ph2-  
122 PH2+ Phosphino cation ph2+  
123 AsH2 Arsenic dihydride ash2  
124 AsH2+ Arsenic dihydride cation ash2+  
125 ND3 Ammonia-d3 nd3  
126 NH3- Ammonia anion nh3-  
127 NH3+ ammonia cation nh3+  
128 SbH3 Stibine sbh3  
129 NH4+ ammonium cation nh4+  
130 PH4+ phosphonium cation ph4+  
131 O- Oxygen atom anion o-  
132 S- Sulfur atom anion s-  
133 S+ Sulfur atom cation s+  
134 Cr Chromium atom cr  
135 Te Tellurium atom te  
136 Te+ Tellurium atom cation te+  
137 DO Hydroxyl-d od  
138 OH- hydroxide anion oh-  
139 DS Mercapto-d ds  
140 HS Mercapto radical hs  
141 CrH+ Chromium hydride cation crh+  
142 TeH Telluryl radical teh  
143 D2O Deuterium oxide d2o  
144 D2S Hydrogen sulfide-d2 d2s  
145 H2S Hydrogen sulfide h2s  
146 H2S- Hydrogen sulfide anion h2s-  
147 H2S+ Hydrogen sulfide cation h2s+  
148 H2Te Hydrogen Telluride h2te  
149 H3O+ hydronium cation h3o+  
150 F- Fluorine atom anion f-  
151 Cl- Chlorine atom anion cl-  
152 Mn Manganese atom mn  
153 I Iodine atom iodine  
154 I- Iodine atom anion iodine-  
155 I+ Iodine atom cation iodine+  
156 DF Hydrofluoric acid-d df  
157 DCl Hydrochloric acid-d dcl  
158 HI Hydrogen iodide hi  
159 HI+ Hydrogen iodide cation hi+  
160 H2F+ dihydrogen fluoride cation h2f+  
161 H2I+ Iodonium h2i+  
162 Ne- Neon atom anion ne-  
163 Ar- Argon atom anion ar-  
164 Ar+ Argon atom cation ar+  
165 Fe Iron atom fe  
166 Xe Xenon atom xe  
167 NeH neon hydrogen neh  
168 NeH+ neon hydrogen cation neh+  
169 XeH+ Xenon, protonated xeh+  
170 H2Ar H2 Ar dimer h2ar  
171 Co Cobalt atom cobalt  
172 Ni Nickel atom ni  
173 Li2 Lithium diatomic li2  
174 Li2- lithium diatomic anion li2-  
175 Li2+ lithium diatomic cation li2+  
176 NaLi- lithium sodium anion lina-  
177 NaLi+ lithium sodium cation lina+  
178 LiK Lithium Potassium lik  
179 Na2+ sodium diatomic cation na2+  
180 NaK Sodium Potassium nak  
181 NaK+ Sodium Potassium diatomic cation nak+  
182 K2 Potassium diatomic k2  
183 Cu2 Copper diatomic cu2  
184 LiBe Lithium Beryllium libe  
185 LiMg Lithium magnesium limg  
186 NaBe Sodium Beryllium nabe  
187 NaMg Sodium Magnesium namg  
188 Be2 Beryllium diatomic be2  
189 Be2- Beryllium diatomic anion be2-  
190 Be2+ Beryllium diatomic cation be2+  
191 BeMg Beryllium Magnesium bemg  
192 Mg2 Magnesium diatomic mg2  
193 Mg2- magnesium diatomic anion mg2-  
194 Mg2+ magnesium diatomic cation mg2+  
195 Ca2 Calcium diatomic ca2  
196 LiB Lithium boride lib  
197 NaAl Sodium aluminum naal  
198 BeB Beryllium monoboride beb  
199 B2 Boron diatomic b2  
200 B2- Boron diatomic anion b2-  
201 B2+ Boron diatomic cation b2+  
202 BAl Boron Aluminum bal  
203 Al2 Aluminum diatomic al2  
204 Al2- aluminum diatomic anion al2-  
205 Al2+ aluminum diatomic cation al2+  
206 BGa Boron Gallium bga  
207 AlGa Aluminum Gallium alga  
208 Ga2 Gallium diatomic ga2  
209 LiBH4 Lithium borohydride libh4  
210 HBHHBH Diborane(4) C2V hbhhbh  
211 Al2H6 dialane al2h6  
212 Ga2H6 digallane ga2h6  
213 LiC Lithium Carbide lic  
214 BeC Beryllium Carbide bec  
215 BC boron monocarbide bc  
216 BC- boron monocarbide anion bc-  
217 BC+ boron monocarbide cation bc+  
218 AlC Aluminum carbide alc  
219 C2 Carbon diatomic c2  
220 C2- carbon diatomic anion c2-  
221 C2+ carbon diatomic cation c2+  
222 SiC silicon monocarbide sic  
223 SiC- silicon monocarbide anion sic-  
224 SiC+ silicon monocarbide cation sic+  
225 Si2- silcon diatomic anion si2-  
226 Si2+ silcon diatomic cation si2+  
227 Ge2 Germanium diatomic ge2  
228 C2H Ethynyl radical c2h  
229 C2H+ Ethynyl cation c2h+  
230 ZnCH2 Zinc methylene znch2  
231 CCH2 vinylidene vinylidene  
232 CuCH3 monomethyl copper cuch3  
233 ZnCH3 Zinc monomethyl znch3  
234 CH2BH methyleneborane ch2bh  
235 C2H3- vinyl anion c2h3-  
236 C2H4- Ethylene anion c2h4-  
237 C2H4+ Ethylene cation 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 cation bn+  
259 CN- cyanide anion cn-  
260 CN+ Cyano cation cn+  
261 CP Carbon monophosphide cp  
262 CP- carbon monophosphide anion cp-  
263 CP+ carbon monophosphide cation cp+  
264 SiN Silicon nitride sin  
265 SiN- silicon mononitride anion sin-  
266 SiN+ silicon mononitride cation sin+  
267 SiP- Silicon monophosphide anion sip-  
268 SiP+ Silicon monophosphide cation sip+  
269 TiN Titanium mononitride tin  
270 N2- nitrogen diatomic anion n2-  
271 N2+ diatomic nitrogen cation n2+  
272 PN- phosphorus nitride anion pn-  
273 PN+ phosphorus nitride cation pn+  
274 P2 Phosphorus diatomic p2  
275 P2- phosphorus diatomic anion p2-  
276 P2+ phosphorus diatomic cation p2+  
277 AsN Arsenic mononitride asn  
278 AsP Arsenic monophosphide asp  
279 SbN Antimony nitride sbn  
280 As2 Arsenic diatomic as2  
281 HNB hydrogen nitrogen boron hnb  
282 HNC hydrogen isocyanide hnc  
283 HCN- Hydrogen cyanide anion hcn-  
284 HCP Phosphaethyne hcp  
285 NNH Dinitrogen monohydride nnh  
286 HPO Hydrogen phosphorus oxide hpo  
287 HPO+ Hydrogen phosphorus oxide cation hpo+  
288 CNH2 Aminomethylidyne radical cnh2  
289 CNH2+ N-protonated hydrogen isocyanide cnh2+  
290 H2CN Dihydrogen cyanide radical h2cn  
291 H2CN+ hydrocyanonium cation h2cn+  
292 HCNH methyleneazane hcnh  
293 HCNH+ N-protonated HCN hcnh+  
294 N2H2 (E)-diazene n2h2  
295 N2H2 (Z)-Diazene n2h2z  
296 N2H2+ trans-diazene cation n2h2+  
297 CH2PH Phosphaethene ch3p  
298 CH2NH2+ methyleneamine cation ch2nh2+  
299 N2H4 Hydrazine n2h4  
300 N2H4+ hydrazine cation n2h4+  
301 P2H4 Diphosphine p2h4  
302 CH3NH2+ methyl amine cation ch3nh2+  
303 CH3PH2 Methyl phosphine ch3ph2  
304 N2H5+ protonated hydrazine n2h5+  
305 BH3NH3 borane ammonia bh3nh3  
306 CH3NH3+ protonated methylamine ch3nh3+  
307 CH3PH3+ methyl phosphine, protonated ch3ph3+  
308 NH3NH3 Ammonia Dimer nh3nh3  
309 LiO lithium oxide lio  
310 LiO- lithium oxide anion lio-  
311 LiO+ lithium oxide cation lio+  
312 LiS Lithium monosulfide lis  
313 LiS+ Lithium sulfide cation lis+  
314 NaO sodium monoxide nao  
315 NaO- sodium oxide anion nao-  
316 NaO+ sodium oxide cation nao+  
317 KO Potassium monoxide ko  
318 KO+ Potassium monoxide cation ko+  
319 NaS Sodium sulfide nas  
320 CuO Copper Monoxide cuo  
321 BeO beryllium oxide beo  
322 BeO- Beryllium monoxide anion beo-  
323 BeO+ Beryllium monoxide cation beo+  
324 BeS beryllium sulfide bes  
325 MgO magnesium oxide mgo  
326 MgO- magnesium oxide anion mgo-  
327 MgO+ magnesium oxide cation mgo+  
328 MgS magnesium sulfide mgs  
329 MgS- magnesium sulfide anion mgs-  
330 MgS+ magnesium sulfide cation mgs+  
331 ZnO zinc monoxide zno  
332 ZnS Zinc sulfide zns  
333 BeS- Beryllium monosulfide anion bes-  
334 BeS+ Beryllium monosulfide cation bes+  
335 AlO Aluminum monoxide alo  
336 AlO- Aluminum monoxide anion alo-  
337 AlO+ aluminum monoxide cation alo+  
338 BS boron sulfide bs  
339 BS- boron monosulfide anion bs-  
340 BS+ boron monosulfide cation bs+  
341 AlS Aluminum sulfide als  
342 AlS- aluminum monosulfide anion als-  
343 AlS+ aluminum monosulfide cation als+  
344 ScO Scandium monoxide sco  
345 BO+ boron monoxide cation bo+  
346 CO- carbon monoxide anion co-  
347 CS- carbon monosulfide anion cs-  
348 CS+ carbon monosulfide cation cs+  
349 SiO- silicon monoxide anion sio-  
350 SiO+ silicon monoxide cation sio+  
351 SiS- silicon monosulfide anion sis-  
352 SiS+ silicon monosulfide cation sis+  
353 TiO Titanium monoxide tio  
354 CSe- Carbon monoselenide anion cse-  
355 CSe+ Carbon monoselenide cation cse+  
356 GeO+ Germanium monoxide cation geo+  
357 GeS Germanium monosulfide ges  
358 NS Mononitrogen monosulfide ns  
359 NS- nitrogen sulfide anion ns-  
360 NS+ nitrogen sulfide cation ns+  
361 PO Phosphorus monoxide po  
362 PO- phosphorus monoxide anion po-  
363 PO+ phosphorus monoxide cation po+  
364 PS- phosphorus monosulfide anion ps-  
365 PS+ phosphorus monosulfide cation ps+  
366 VO Vanadium monoxide vo  
367 AsO Arsenic monoxide aso  
368 NSe Nitrogen monoselenide nse  
369 AsS Arsenic monosulfide ass  
370 PSe Phosphorus monoselenide pse  
371 AsSe Arsenic monoselenide asse  
372 O2- oxygen diatomic anion o2-  
373 O2+ diatomic oxygen cation o2+  
374 SO- sulfur monoxide anion so-  
375 S2- sulfur diatomic anion s2-  
376 S2+ sulfur diatomic cation s2+  
377 SeO- selenium monoxide anion seo-  
378 SeO+ selenium monoxide cation seo+  
379 SeS Selenium monosulfide ses  
380 SeS- selenium monosulfide anion ses-  
381 SeS+ selenium monosulfide cation ses+  
382 TeO Tellurium monoxide teo  
383 Se2- selenium diatomic anion se2-  
384 Se2+ selenium diatomic cation se2+  
385 Te2 Tellurium diatomic te2  
386 NaOH sodium hydroxide naoh  
387 KOH Potassium hydroxide koh  
388 MgOH magnesium hydroxide mgoh  
389 CaOH Calcium monohydroxide caoh  
390 COH+ Carbon Monoxide, protonated coh+  
391 HCS Thioformyl radical hcs  
392 HCS- Thioformyl anion hcs-  
393 HCS+ Thioformyl cation hcs+  
394 HNO- Nitrosyl hydride anion hno-  
395 NOH Hydroxyimidogen noh  
396 NOH+ O-protonated nitric oxide noh+  
397 HNS Sulfur imide hns  
398 HNS- Sulfur imide anion hns-  
399 HO2- Hydroperoxy anion ho2-  
400 HO2+ Hydroperoxy cation ho2+  
401 HS2 Thiosulfeno radical hs2  
402 HOCH hydroxycarbene hoch  
403 H2CS+ thioformaldehyde cation h2cs+  
404 H2NO nitroxide h2no  
405 H2O2+ Hydrogen peroxide cation h2o2+  
406 H2S2 Disulfane h2s2  
407 H2S2+ hydrogen disulfide cation h2s2+  
408 CH2OH Hydroxymethyl radical ch2oh  
409 CH2OH+ hydroxymethyl cation ch2oh+  
410 CH3O Methoxy radical ch3o  
411 CH3O- methoxy anion ch3o-  
412 CH3O+ Methoxy cation ch3o+  
413 CH3S thiomethoxy ch3s  
414 H2CSH+ Thioformaldehyde, protonated h2csh+  
415 NH3O Ammonia Oxide nh3o  
416 H2POH Phosphinous acid h2poh  
417 H3PO Phosphine oxide h3po  
418 H3O2+ hydrogen peroxide, protonated h3o2+  
419 CH3OH- Methyl alcohol anion ch3oh-  
420 CH3SH Methanethiol ch3sh  
421 CH3SH+ Methanethiol cation ch3sh+  
422 CH3SeH Methane selenol ch3seh  
423 H2OH2O water dimer h2oh2o  
424 CH3OH2+ Methanol, protonated ch3oh2+  
425 CH3SH2+ protonated methylsulfide ch3sh2+  
426 H2ONH3 Water Ammonia Dimer h2onh3  
427 LiCl- lithium chloride anion licl-  
428 LiCl+ lithium chloride cation licl+  
429 NaF sodium fluoride naf  
430 NaF- sodium fluoride anion naf-  
431 KF Potassium Fluoride kf  
432 NaCl Sodium Chloride nacl  
433 NaCl- sodium chloride anion nacl-  
434 NaCl+ sodium chloride cation nacl+  
435 KCl Potassium Chloride kcl  
436 CuF Copper monofluoride cuf  
437 LiBr- lithium bromide anion libr-  
438 LiBr+ lithium bromide cation libr+  
439 CuCl Copper monochloride cucl  
440 NaBr Sodium Bromide nabr  
441 NaBr- sodium bromide anion nabr-  
442 NaBr+ sodium bromide cation nabr+  
443 KBr Potassium Bromide kbr  
444 LiI Lithium Iodide lii  
445 NaI Sodium Iodide nai  
446 KI Potassium Iodide ki  
447 LiF- lithium fluoride anion lif-  
448 BeF Beryllium monofluoride bef  
449 BeF- Beryllium monofluoride anion bef-  
450 BeF+ Beryllium monofluoride cation bef+  
451 BeCl beryllium monochloride becl  
452 MgF Magnesium monofluoride mgf  
453 MgF- magnesium fluoride anion mgf-  
454 MgF+ magnesium fluoride cation mgf+  
455 CaF Calcium monofluoride caf  
456 MgCl magnesium monochloride mgcl  
457 MgCl- magnesium monochloride anion mgcl-  
458 MgCl+ magnesium monochloride cation mgcl+  
459 CaCl calcium monochloride cacl  
460 TiCl Titanium Monochloride ticl  
461 ZnF Zinc monofluoride znf  
462 ZnF- Zinc monofluoride anion znf-  
463 ZnF+ Zinc monofluoride cation znf+  
464 ZnCl Zinc monochloride zncl  
465 BeCl- beryllium monochloride anion becl-  
466 BeCl+ beryllium monochloride cation becl+  
467 BF- Boron monofluoride anion bf-  
468 BF+ Boron monofluoride cation bf+  
469 AlF- Aluminum monofluoride anion alf-  
470 AlF+ Aluminum monofluoride cation alf+  
471 BCl boron monochloride bcl  
472 BCl- boron monochloride anion bcl-  
473 BCl+ boron monochloride cation bcl+  
474 AlCl Aluminum monochloride alcl  
475 AlCl- aluminum monochloride anion alcl-  
476 AlCl+ aluminum monochloride cation alcl+  
477 ScF Scandium monofluoride scf  
478 BBr Boron monobromide bbr  
479 GaF+ Gallium monofluoride cation gaf+  
480 GaCl+ Gallium monochloride cation gacl+  
481 AlI Aluminum monoiodide ali  
482 CF+ carbon monofluoride cation cf+  
483 CCl carbon monochloride ccl  
484 CCl- carbon monochloride anion ccl-  
485 CCl+ carbon monochloride cation ccl+  
486 SiF silicon monofluoride sif  
487 SiF- silicon monofluoride anion sif-  
488 SiF+ silicon monofluoride cation sif+  
489 SiCl- silicon monochloride anion sicl-  
490 SiCl+ silicon monochloride cation sicl+  
491 GeF+ Germanium monofluoride cation gef+  
492 NF nitrogen fluoride nf  
493 NF- nitrogen monofluorine anion nf-  
494 NF+ nitrogen monofluoirde cation nf+  
495 NCl- nitrogen monochloride anion ncl-  
496 NCl+ nitrogen monochloride cation ncl+  
497 PF phosphorus monofluoride pf  
498 PF- phosphorus monofluoride anion pf-  
499 PF+ phosphorus monofluoride cation pf+  
500 PCl phosphorus chloride pcl  
501 PCl- phosphorus monochloride anion pcl-  
502 PCl+ phosphorus monochloride cation pcl+  
503 AsF Arsenic monofluoride asf  
504 NBr nitrogen monobromide nbr  
505 AsCl Arsenic monochloride ascl  
506 SbF Antimony monofluoride sbf  
507 SbCl Antimony monochloride sbcl  
508 FO Oxygen monofluoride fo  
509 FO- flourine oxide anion fo-  
510 FO+ fluorine monoxide cation fo+  
511 ClO- chlorine monoxide anion clo-  
512 SF- sulfur monofluoride anion sf-  
513 SCl sulfur monochloride scl  
514 SCl- sulfur monochloride anion scl-  
515 BrO- Bromine monoxide anion bro-  
516 SeF Selenium monofluoride sef  
517 SeCl Selenium monochloride secl  
518 IO Iodine monoxide io  
519 F2- flourine diatomic anion f2-  
520 ClF- clorine monofluoride anion clf-  
521 Cl2- chlorine diatomic anion cl2-  
522 BrF- bromine fluoride anion brf-  
523 BrF+ bromine fluoride cation brf+  
524 BrCl- bromine chloride anion brcl-  
525 BrCl+ bromine chloride cation brcl+  
526 IF Iodine monofluoride if  
527 ICl Iodine monochloride icl  
528 IBr Iodine monobromide ibr  
529 I2 Iodine diatomic i2  
530 I2+ Iodine diatomic cation i2+  
531 HCCl Chloromethylene hccl  
532 CHBr bromomethylene chbr  
533 DOCl Hypochlorous acid-d docl  
534 HOBr Hypobromous acid hobr  
535 HOBr+ Hypobromous acid cation hobr+  
536 HOI Hypoiodous acid hoi  
537 FHF Hydrogen difluoride fhf  
538 FHF- Hydrogen difluoride anion fhf-  
539 NH2F monofluoroamine nh2f  
540 H2F2 Hydrogen fluoride dimer h2f2  
541 CD3F methylfluoride-d3 cd3f  
542 CH3F Methyl fluoride ch3f  
543 CD3Cl methyl chloride d3 cd3cl  
544 CH3Cl+ Methyl chloride cation ch3cl+  
545 SiH3Br bromosilane sih3br  
546 CH3I methyl iodide ch3i  
547 SiH3I Silyl Iodide sih3i  
548 Ne2 Neon diatomic ne2  
549 Ne2+ Neon diatomic cation ne2+  
550 Ar2+ Argon diatomic cation ar2+  
551 Li3 Lithium trimer li3  
552 Li3+ Lithium trimer cation li3+  
553 C3+ carbon trimer cation c3+  
554 C3H3 cyclopropenyl radical cpr  
555 C3H3 Propargyl radical propargyl  
556 C3H3- Propargyl anion c3h3-  
557 C3H3+ cyclopropenyl cation cpr+  
558 C3H3+ Propargyl cation c3h3+  
559 C3H5+ Allyl cation allyl+  
560 CH3CHCH 1-propenyl radical ch3chch  
561 Zn(CH3)2 dimethyl zinc dmz  
562 C3H7+ cyclopropane, protonated c3h7+  
563 CH3CHCH3+ Isopropyl cation prop2yl+  
564 SiH2(CH3)2 dimethylsilane dms  
565 LiCN lithium cyanide licn  
566 NaCN Sodium Cyanide nacn  
567 KCN Potassium cyanide kcn  
568 CuCN Copper cyanide cucn  
569 CN2 3H-Diazirin-3-ylidene cn2  
570 NCN Cyanoimidogen ncn  
571 N3 azide radical n3  
572 N3- azide anion n3-  
573 N3+ azide cation n3+  
574 HCCN cyanomethylene hccn  
575 HCNN diazomethyl radical hcnn  
576 CH2N2 diazirine ch2n2  
577 CH2NN diazomethane ch2nn  
578 NH2CN cyanamide cyanamide  
579 CH3CN+ Acetonitrile cation ch3cn+  
580 CH3NC methyl isocyanide ch3nc  
581 HNCNH2+ diiminomethane, protonated hncnh2+  
582 NCNH3+ Cyanamide, protonated ncnh3+  
583 CH2CHNH vinylazine ch2chnh  
584 CH3CHN methylmethaniminyl radical ch3chn  
585 NHCHNH2 aminomethanimine cn2h4  
586 C2H5N Aziridine c2h5n  
587 CH2CHNH2 aminoethene aminoethene  
588 CH2NCH3 N-methylmethanimine nmm  
589 CH3CHNH ethanimine ethanimine  
590 NH2BHNH2 diaminoborane nh2bhnh2  
591 C2H5NH+ Protonated Aziridine c2h5nh+  
592 NH2CH2NH2 diaminomethane nh2ch2nh2  
593 CH3NHCH3 Dimethylamine ch3nhch3  
594 CH3PHCH3 dimethylphosphine ch3phch3  
595 NH2CH2NH3+ diaminoethane, protonated pdam  
596 (CH3)2NH2+ dimethylammonium cation dmam  
597 CH3CH2NH3+ ethylamine, protonated pea  
598 Li2O dilithium oxide li2o  
599 Li2O+ dilithium oxide cation li2o+  
600 Li2S dilithium sulfide li2s  
601 Na2O disodium monoxide na2o  
602 CCO Dicarbon monoxide cco  
603 CNO- fulminate cno-  
604 NCO- cyanate nco-  
605 SCN thiocyanato radical scn  
606 SCN- thiocyanide anion scn-  
607 BO2 Boron dioxide bo2  
608 BO2- Boron dioxide anion bo2-  
609 BO2+ Boron dioxide cation bo2+  
610 N2O- Nitrous oxide anion n2o-  
611 N2O+ Nitrous oxide cation n2o+  
612 NNS Nitrogen sulfide nns  
613 PPO Phosphorus oxide phosphide ppo  
614 CO2- Carbon dioxide anion co2-  
615 CO2+ Carbon dioxide cation co2+  
616 OCS+ Carbonyl sulfide cation cos+  
617 SiO2 silicon dioxide sio2  
618 CS2- Carbon disulfide anion cs2-  
619 CS2+ Carbon disulfide cation cs2+  
620 TiO2 Titanium dioxide tio2  
621 SiS2 Silicon disulfide sis2  
622 GeS2 Germanium disulfide ges2  
623 CSe2 Carbon diselenide cse2  
624 SCTe Carbon sulfide Telluride scte  
625 NO2 Nitrogen dioxide no2  
626 NO2- Nitrogen dioxide anion no2-  
627 NO2+ Nitrogen dioxide cation no2+  
628 PO2 Phosphorus dioxide po2  
629 PO2- Phosphorus dioxide anion po2-  
630 PO2+ Phosphorus dioxide cation po2+  
631 AsO2 Aresenic dioxide aso2  
632 O3 Ozone o3  
633 O3- Ozone anion o3-  
634 O3+ Ozone cation o3+  
635 SO2- Sulfur dioxide anion so2-  
636 SO2+ Sulfur dioxide cation so2+  
637 S3- Sulfur trimer anion s3-  
638 S3+ Sulfur trimer cation s3+  
639 SeO2+ Selenium dioxide cation seo2+  
640 TeO2 Tellurium Dioxide teo2  
641 CS2H+ Carbon disulfide, protonated cs2h+  
642 HNCO Isocyanic acid hnco  
643 HOCN cyanic acid hocn  
644 HCO2- formate anion hco2-  
645 HNNO nitrosoazane hnno  
646 HNNO+ Nitrous oxide, N-protonated hnno+  
647 NNOH+ Nitrous Oxide, O-protonated nnoh+  
648 HCOO formate neutral radical hcoo  
649 HOCO+ Hydrocarboxyl cation hoco+  
650 HNO2 Nitrous acid hno2  
651 HNO2+ nitrous acid cation hno2+  
652 SO2H+ protonated sulfur dioxide so2h+  
653 CH2CO+ Ketene cation ch2co+  
654 HCCOH ethynol hccoh  
655 Mg(OH)2 Magnesium dihydroxide h2mgo2  
656 NH2NO Nitrosamide nh2no  
657 CH2O2 Dioxirane diox  
658 H2COO Dioxymethyl radical h2coo  
659 H2COO+ dioxymethyl cation h2coo+  
660 H2O3 Hydrogen trioxide h2o3  
661 HSSSH trisulfane hsssh  
662 NaOCH3 Sodium methoxide naoch3  
663 CH2BOH hydroxy(methylene)borane ch2boh  
664 CH3BO Borane, methyloxo- ch3bo  
665 CH2CHO Vinyloxy radical ch2cho  
666 CH3CO- Acetyl anion ch3co-  
667 CH3CO+ acetyl cation ch3co+  
668 CH2NOH formaldoxime ch2noh  
669 CH3NO nitrosomethane ch3no  
670 CHONH2 formamide formamide  
671 CNOH3 1,2-oxaziridine cnoh3  
672 CH2OOH CH2OOH radical ch2ooh  
673 CH3OO methylperoxy radical ch3oo  
674 CH3OO- methylperoxy anion ch3oo-  
675 CH3OO+ methylperoxy cation ch3oo+  
676 CH2CHOH ethenol ch2choh  
677 H2CONH2+ protonated formamide h2conh2+  
678 NH3CHO+ Formamide, N-Protonated nh3cho+  
679 CH2(OH)2 methanediol ch2o2h2  
680 CH3OOH Methyl peroxide ch3ooh  
681 H2OH2CO water formaldehyde dimer h2oh2co  
682 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
683 CH3CH2O Ethoxy radical ethoxy  
684 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
685 CH3CHOH+ acetaldehyde, protonated ch3choh+  
686 CH3OCH2 methoxymethyl radical ch3och2  
687 CH3CH2OH Ethanol etoh  
688 CH3OCH3 Dimethyl ether meome  
689 CH3SeCH3 dimethylselenide dmse  
690 CH3OHH2O methanol water dimer ch3ohh2o  
691 H2OCH3OH water methanol dimer h2och3oh  
692 CuF2 Copper difluoride cuf2  
693 ZnF2 Zinc difluoride znf2  
694 CNF iso cyanogen fluoride cnf  
695 FCN Cyanogen fluoride fcn  
696 ClCN chlorocyanogen clcn  
697 ICN Cyanogen iodide icn  
698 BeF2 Beryllium fluoride bef2  
699 MgF2 Magnesium fluoride mgf2  
700 BeCl2 Beryllium chloride becl2  
701 MgCl2 Magnesium dichloride mgcl2  
702 CaCl2 Calcium Chloride cacl2  
703 ZnCl2 Zinc dichloride zncl2  
704 CaF2 Calcium difluoride caf2  
705 FCO Carbonyl fluoride fco  
706 FCO+ Carbonyl fluoride cation fco+  
707 ClCO carbonyl monochloride clco  
708 FNS Thionitrosyl fluoride fns  
709 BrNO Nitrosyl bromide brno  
710 INO Nitrosyl iodide ino  
711 CF2- Difluoromethylene anion cf2-  
712 CF2+ Difluoromethylene cation cf2+  
713 CFCl chlorofluoromethylene cfcl  
714 SiF2+ Silicon difluoride cation sif2+  
715 CCl2 dichloromethylene ccl2  
716 CCl2- dichloromethylene anion ccl2-  
717 CCl2+ dichloromethylene cation ccl2+  
718 SiCl2 Dichlorosilylene sicl2  
719 GeF2 Germanium difluoride gef2  
720 CBr2 dibromomethylene cbr2  
721 FOO Dioxygen monofluoride radical foo  
722 ClOO chloroperoxy radical cloo  
723 ClOO+ chloroperoxy cation cloo+  
724 OClO+ Chlorine dioxide cation oclo+  
725 ClSO Sulfur chloride oxide clso  
726 ClS2 Sulfur chloride cls2  
727 OBrO Bromine dioxide radical obro  
728 NF2 Difluoroamino radical nf2  
729 NF2+ Difluoroamino cation nf2+  
730 FClO chlorosyl fluoride fclo  
731 F2O Difluorine monoxide f2o  
732 ClOF Chlorine hypofluorite clof  
733 SF2- sulfur difluoride anion sf2-  
734 SF2+ sulfur difluoride cation sf2+  
735 Cl2O Dichlorine monoxide cl2o  
736 SCl2 Sulfur dichloride scl2  
737 BrOCl Bromine hypochlorite brocl  
738 BrOBr Bromine oxide brobr  
739 F3- trifluoride anion f3-  
740 Cl3- trichloride anion cl3-  
741 I3- triiodide i3-  
742 HCCF+ fluoroacetylene cation hccf+  
743 HCCCl Chloroacetylene hcccl  
744 HCCBr bromoacetylene hccbr  
745 HFCO formyl fluoride hfco  
746 HFCO+ formyl fluoride cation hfco+  
747 COHCl Formyl chloride cohcl  
748 COHBr Formyl bromide cohbr  
749 BHF2 Difluoroborane bhf2  
750 BHCl2 Borane, dichloro- bhcl2  
751 CHCl2 dichloromethyl radical chcl2  
752 HOClO Chlorous acid hoclo  
753 CH2FCl fluorochloromethane ch2fcl  
754 CH2BrF Methane, bromofluoro- ch2fbr  
755 CH2FI fluoroiodomethane ch2fi  
756 CH2ClI chloroiodomethane ch2cli  
757 CH2BrI bromoiodomethane ch2bri  
758 CH2I2 Diiodomethane ch2i2  
759 SiH2Cl2 dichlorosilane sih2cl2  
760 CH2CHF+ fluoroethene cation ch2chf+  
761 C2H3Cl Ethene, chloro- ch2chcl  
762 C2H3Br vinyl bromide c2h3br  
763 C2H3I Vinyl iodide c2h3i  
764 CH3OCl methyl hypochlorite ch3ocl  
765 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
766 CHClCH3 1-chloroethyl radical chclch3  
767 C2H5F fluoroethane c2h5f  
768 CH3CH2Cl Ethyl chloride c2h5cl  
769 CH3SiFH2 fluoromethylsilane ch3sifh2  
770 C2H5I Ethyl iodide c2h5i  
771 KrF2 Krypton difluoride krf2  
772 XeF2 Xenon difluoride xef2  
773 B4H10 Tetraborane(10) b4h10  
774 C4+ Carbon tetramer cation c4+  
775 C4H2 Diacetylene c4h2  
776 C2H3CCH 1-Buten-3-yne c2h3cch  
777 C4H4 cyclobutadiene cbd  
778 H2CCCCH2 Butatriene h2cccch2  
779 C4H6 Cyclobutene c822355  
780 C4H6 Methylenecyclopropane c6142730  
781 CH2CCHCH3 1,2-Butadiene butad12  
782 CH2CHCHCH2 1,3-Butadiene c106990  
783 CH3CCCH3 2-Butyne c503173  
784 CHCCH2CH3 1-Butyne c107006  
785 CH3CHCHCH2 methylallyl radical c4h7  
786 C4H8 methylcyclopropane mcp  
787 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
788 CH3CHCHCH3 2-Butene, (E)- bute2e  
789 CH3CHCHCH3 2-Butene, (Z)- bute2z  
790 B(CH3)3 trimethylborane bme3  
791 Al(CH3)3 trimethyl aluminum tma  
792 C(CH3)3 Tert-butyl radical tbutyl  
793 CH2CH(CH3)2 Isobutyl radical isobutyl  
794 CH3CHCH2CH3 2-Butyl radical butyl2  
795 CH3CH(CH3)CH3 Isobutane isobutane  
796 SiH(CH3)3 trimethylsilane trimsi  
797 Li3N trilithium nitride li3n  
798 C2N2 Cyanogen c2n2  
799 C2N2+ Cyanogen cation c2n2+  
800 P4 Phosphorus tetramer p4  
801 HCCCN Cyanoacetylene hcccn  
802 HCCCN+ Cyanoacetylene cation hcccn+  
803 C3H3N acrylonitrile ch2chcn  
804 C3H3N+ acrylonitrile cation ch2chcn+  
805 CH3N3 methyl azide ch3n3  
806 NH2CCNH2 Diaminoacetylene daa  
807 NH2CH2CN Aminoacetonitrile aan  
808 CH3NHN2+ methyl azide, protonated ch3nhn2+  
809 CH5N3 Guanidine guanidine  
810 C4H6 Bicyclo[1.1.0]butane c157335  
811 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
812 CH6N3+ guanidinium ch6n3+  
813 C3H7N Cyclopropylamine cpram  
814 CH7N3 triaminomethane tam  
815 C3H7N Azetidine azet  
816 C4H8 cyclobutane cbutane  
817 C2H8N2 Ethylenediamine ethdiam  
818 CH3NHNHCH3 dimethyl hydrazine dmh  
819 CH3CH(NH2)CH3 2-Propanamine pram2  
820 N(CH3)3 Trimethylamine trimeam  
821 NH2CH2CH2CH3 1-Propanamine pram1  
822 P(CH3)3 trimethylphosphine tmp  
823 As(CH3)3 trimethyl arsine tmas  
824 (CH3)3NH+ protonated trimethyl amine ptma  
825 C3H7NH3+ n-propylamine, protonated c3h7nh2  
826 Li2O2 dilithium dioxide li2o2  
827 K2O2 dipotassium dioxide k2o2  
828 C3O Tricarbon monoxide c3o  
829 B2O2 Diboron dioxide b2o2  
830 S2N2 Disulfur dinitride s2n2  
831 CO3 Carbon trioxide co3  
832 CO3-- carbonate co3--  
833 NO3 Nitrogen trioxide no3  
834 NO3- nitrate anion no3-  
835 NO3+ nitrogen trioxide cation no3+  
836 SO3- Sulfur trioxide anion so3-  
837 SO3+ Sulfur trioxide cation so3+  
838 SeO3 selenium trioxide seo3  
839 TeO3 Tellurium trioxide teo3  
840 HCO3- bicarbonate anion hco3-  
841 HSO3 Hydroxysulfonyl radical hso3  
842 NH2NO2 nitramide nh2no2  
843 C2H2CO cyclopropenone c2h2co  
844 HCCCHO 2-propynal hcccho  
845 C2H2O2+ Ethanedial cation c2h2o2+  
846 H2CO3 Carbonic acid h2co3  
847 H2CS3 thiocarbonic acid h2cs3  
848 H2NO3+ Nitric Acid, Protonated h2no3+  
849 H2SO3 Sulfurous acid h2so3  
850 C2H3NO Nitrosoethylene c2h3no  
851 CH3COO- acetate anion ch3coo-  
852 CH3ONO Methyl nitrite ch3ono  
853 NH2COOH Carbamic acid nh2cooh  
854 H3BO3 Boric acid h3bo3  
855 H3CO3+ carbonic acid, protonated h3co3+  
856 C3H4O 2-Propyn-1-ol c107197  
857 C3H4O allenol c9000071  
858 C3H4O Cyclopropanone cpone  
859 C3H4O Methylketene c6004440  
860 NH2CONH2 Urea urea  
861 NH2CONH2+ Urea cation urea+  
862 NH2CSNH2 Thiourea thiourea  
863 C2H4O2 1,3-dioxetane c2h4o2  
864 CH3COOH Acetic acid ch3cooh  
865 CH3OCHO methyl formate ch3ocho  
866 CHOCH2OH hydroxy acetaldehyde haa  
867 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
868 NH3COOH+ protonated Carbamic acid nh3cooh+  
869 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
870 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
871 HCOOHH2O Formic acid water dimer hcoohh2o  
872 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
873 CH3COCH2 Acetonyl radical ch3coch2  
874 CH3CHNOH Acetaldoxime acetaldoxime  
875 CH3CONH2 Acetamide acetamide  
876 HCONHCH3 N-methylformamide nmfa  
877 CH5N2O+ urea, N-protonated ch4n2o+  
878 H2NCOHNH2+ urea, protonated ureah+  
879 C2H5OO ethylperoxy radical c2h5oo  
880 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
881 C3H5OH Cyclopropanol cproh  
882 C3H6O 2-Propen-1-ol c107186  
883 C3H6O Acetone enol enol  
884 C3H6O Oxetane oxetane  
885 C3H6O Propylene oxide prox  
886 CH3COCH3 Acetone acetone  
887 CH3COCH3- acetone anion ch3coch3-  
888 C3H6S Thietane thietane  
889 C3H6S Thiirane, methyl- methiirane  
890 CH3CSCH3 Thioacetone ch3csch3  
891 C2H6O2 1,2-Ethanediol ethdiol  
892 CH3OOCH3 dimethylperoxide dmp  
893 CH3SOCH3 Dimethyl sulfoxide dmso  
894 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
895 CH3COHCH3+ acetone, protonated acetoneh+  
896 HOCH2CH2NH2 monoethanolamine mea  
897 CH3CHOHCH3 Isopropyl alcohol isoproh  
898 CH3OC2H5 Ethane, methoxy- etome  
899 C3H7SH 1-Propanethiol prsh  
900 CH3CHSHCH3 2-Propanethiol isoprsh  
901 CH3SCH2CH3 Ethane, (methylthio)- etsme  
902 H2OCH3OCH3 water dimethylether dimer h2och3och3  
903 Na2F2 Sodium Fluoride Dimer na2f2  
904 Na2Cl2 Disodium dichloride na2cl2  
905 C2F2 difluoroacetylene c2f2  
906 C2Cl2 dichloroacetylene c2cl2  
907 C2Cl2+ dichloroacetylene cation c2cl2+  
908 FNO2 Nitryl fluoride fno2  
909 FONO Nitrosyl hypofluorite fono  
910 ClNO2 Nitryl chloride clno2  
911 ClONO chlorine nitrite clono  
912 BrONO Bromine nitrite brono  
913 N2F2 (Z)-Difluorodiazene n2f2_z  
914 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
915 COFCl Carbonic chloride fluoride cofcl  
916 CCl2O Phosgene cl2co  
917 Cl2CS Thiophosgene cl2cs  
918 COBr2 Carbonic dibromide cobr2  
919 BF3- Borane, trifluoro- anion bf3-  
920 AlF2Cl Aluminum chloride difluoride alclf2  
921 ScF3 Scandium trifluoride ScF3  
922 AlFCl2 Aluminum dichloride fluoride alcl2f  
923 AlCl3 Aluminum trichloride alcl3  
924 BBr3 Boron tribromide bbr3  
925 AlBr3 Aluminum Bromide albr3  
926 ClO3 Chlorine trioxide clo3  
927 ClO3- chlorate anion clo3-  
928 BrO3- Bromate anion bro3-  
929 CF3 Trifluoromethyl radical cf3  
930 CF3- Trifluoromethyl anion cf3-  
931 CF3+ Trifluoromethyl cation cf3+  
932 SiF3 Silicon trifluoride radical sif3  
933 SiF3+ Silicon trifluoride cation sif3+  
934 CCl3 Trichloromethyl radical ccl3  
935 CCl3- Trichloromethyl anion ccl3-  
936 CCl3+ Trichloromethyl cation ccl3+  
937 SiCl3 trichlorosilyl radical sicl3  
938 SiCl3+ trichlorosilyl cation sicl3+  
939 FOOF Perfluoroperoxide foof  
940 ClO2F Chloryl fluoride clo2f  
941 F2SO Thionyl Fluoride f2so  
942 ClOOCl Dichlorine dioxide cloocl  
943 FSSF Difluorodisulfane fssf  
944 S2F2 Thio-thionyl fluoride s2f2  
945 SOCl2 thionyl chloride socl2  
946 SeOCl2 selenium oxychloride seocl2  
947 NF3- Nitrogen trifluoride anion nf3-  
948 NF3+ Nitrogen trifluoride cation nf3+  
949 PF3 Phosphorus trifluoride pf3  
950 AsF3 Arsenic trifluoride asf3  
951 PCl3 Phosphorus trichloride pcl3  
952 SbF3 Antimony Trifluoride sbf3  
953 AsCl3 Arsenous trichloride ascl3  
954 SbCl3 Antimony Trichloride sbcl3  
955 PBr3 Phosphorus tribromide pbr3  
956 AsBr3 Arsenic tribromide asbr3  
957 NI3 Nitrogen triiodide ni3  
958 PI3 Phosphorus triiodide pi3  
959 ClSSCl Disulfur dichloride s2cl2  
960 SF3 Sulfur trifluoride sf3  
961 ClF3 Chlorine trifluoride clf3  
962 BrF3 Bromine trifluoride brf3  
963 IF3 iodone trifluoride if3  
964 CHF2Cl difluorochloromethane chf2cl  
965 CHFCl2 fluorodichloromethane chfcl2  
966 CDCl3 trichloromethane-d cdcl3  
967 CHCl3 Chloroform chcl3  
968 SiHCl3 Trichlorosilane sihcl3  
969 CHFClBr fluorochlorobromomethane chfclbr  
970 CHF2I difluoroiodomethane chf2i  
971 CHFClI fluorochloroiodomethane chfcli  
972 CHCl2I dichloroiodomethane chcl2i  
973 CHClBr2 Methane, dibromochloro- chclbr2  
974 CHBr3 bromoform chbr3  
975 CHI3 Iodoform chi3  
976 NF3H+ protonated nitrogen trifluoride nf3h+  
977 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
978 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
979 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
980 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
981 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
982 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
983 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
984 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
985 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
986 C2H2Br2 1,1-dibromoethene c2h2br2  
987 CH2FCHO Fluoroacetaldehyde ch2fcho  
988 CH3COF Acetyl fluoride ch3cof  
989 CH2ClCHO chloroacetaldehyde ch2clcho  
990 CH3COCl Acetyl Chloride ch3cocl  
991 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
992 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
993 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
994 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
995 CH2CFCH3 2-fluoropropene 2fpro  
996 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
997 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
998 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
999 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1000 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1001 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1002 CH3CHClCH3 Propane, 2-chloro- prcl2  
1003 CH3CH2CH2Br n-propyl bromide prbr  
1004 CH3CHBrCH3 i-propyl bromide iprbr  
1005 C3H9O+ trimethyl oxonium cation c3h9o+  
1006 C5H5 cyclopentadienyl radical c5h5  
1007 C5H5- cylopentadienyl anion c5h5-  
1008 C5H6 1,3-Cyclopentadiene c542927  
1009 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1010 C5H6 3-Penten-1-yne, (E)- c2004695  
1011 C5H6 3-Penten-1-yne, (Z)- c1574409  
1012 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1013 C5H6 Cyclopropylacetylene c6746947  
1014 C5H6 Propellane propellane  
1015 C5H7 1,3-pentadienyl radical pdyl  
1016 C5H7 cyclopentenyl radical cpyl  
1017 C5H8 1,2-Butadiene, 3-methyl- c598254  
1018 C5H8 1,2-Pentadiene c591957  
1019 C5H8 1,3-Butadiene, 2-methyl- c78795  
1020 C5H8 1,3-Pentadiene, (E)- c2004708  
1021 C5H8 1,3-Pentadiene, (Z)- c1574410  
1022 C5H8 1,4-Pentadiene c591935  
1023 C5H8 1-pentyne a1pentyne  
1024 C5H8 2,3-Pentadiene c591968  
1025 C5H8 Cyclobutane, methylene- c1120565  
1026 C5H8 Cyclopentene c142290  
1027 C5H8 Ethenylcyclopropane c693867  
1028 CH3CCCH2CH3 2-Pentyne 2pentyne  
1029 C5H10 1-Butene, 2-methyl- c563462  
1030 C5H10 2-Butene, 2-methyl- c513359  
1031 C5H10 2-Pentene, (E)- c646048  
1032 C5H10 2-Pentene, (Z)- c627203  
1033 C5H10 Cyclopentane c287923  
1034 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1035 CH2CHCH2CH2CH3 1-pentene pentene  
1036 C5H11 2-Methylbut-2-yl radical c4348350  
1037 C5H12 Butane, 2-methyl- buta2  
1038 C5H12 Pentane pentane  
1039 C5H12 Propane, 2,2-dimethyl- neopentane  
1040 Si(CH3)4 tetramethylsilane tms  
1041 N2O3 Dinitrogen trioxide n2o3  
1042 C3H2N2 Malononitrile c3h2n2  
1043 CH2N4 1H-Tetrazole 1htz  
1044 C3H3N2 imidazolyl radical im  
1045 C3H3N2- imidizolyl anion im-  
1046 C2H3N3 1H-1,2,4-Triazole c288880  
1047 C4H4N pyrrolide radical c4h4n  
1048 C4H4N- pyrrolide anion c4h4n-  
1049 C3H4N2 1H-Imidazole 1himidaz  
1050 C3H4N2 1H-Pyrazole 1hpyraz  
1051 C3H4N2 2H-Imidazole imid2h  
1052 C3H4N2 4H-Imidazole imid4h  
1053 C4H5N (E)-2-Butenenitrile c627269  
1054 C4H5N (Z)-2-Butenenitrile c1190767  
1055 C4H5N 2H-pyrrole pyrrole2  
1056 C4H5N 3H-pyrrole pyrrole3  
1057 C4H5N Cyclopropanecarbonitrile c5500210  
1058 CH2CHCH2CN Allylcyanide ch2chch2cn  
1059 C4H6N+ pyrrole, alpha-protonated appyr  
1060 C4H6N+ pyrrole, beta-protonated bppyr  
1061 C4H6N+ pyrrole, protonated ppyr  
1062 C3H6N2 3-Aminopropionitrile c151188  
1063 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1064 CH3CH2CH2CN Butanenitrile c109740  
1065 C5H8 Bicyclo[2.1.0]pentane c185944  
1066 C5H8 Spiropentane c157404  
1067 C4H9N Cyclobutylamine cbam  
1068 C4H9N Pyrrolidine pyrrolidine  
1069 C3H10N2 1,2-Diaminopropane diampr12  
1070 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1071 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1072 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1073 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1074 NH(C2H5)2 diethylamine dea  
1075 NC4H12+ tetramethyl ammonium cation nc4h12+  
1076 C3O2+ Carbon suboxide cation c3o2+  
1077 MgCO3 Magnesium Carbonate mgco3  
1078 BeCO3 Beryllium Carbonate beco3  
1079 CaCO3 Calcium Carbonate caco3  
1080 ONONO Nitrosyl nitrite onono  
1081 PO4--- phosphate po4---  
1082 SO4-- sulfate so4--  
1083 HOONO2 peroxy nitric acid hoono2  
1084 HSO4- bisulfate anion hso4-  
1085 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1086 C3H2O2 Propiolic acid c3h2o2  
1087 CHOCOOH oxo acetic acid oaa  
1088 H2SO4 Sulfuric acid h2so4  
1089 H2SeO4 Selenic acid h2seo4  
1090 C3H3NO Oxazole oxazole  
1091 CH3C(O)OO acetyl peroxy radical ch3coo2  
1092 CH3NO3 Methyl nitrate ch3no3  
1093 H3PO4 Phosphoric Acid h3po4  
1094 C4H4O Furan furan  
1095 C4H4O+ Furan cation furan+  
1096 CH3COCCH 3-butyn-2-one c1423605  
1097 C4H4S Thiophene furans  
1098 C3H4O2 β–Propiolactone beta  
1099 C3H4O2 2-Propenoic acid propenoic2  
1100 C3H4O2 Methyl glyoxal megly  
1101 C3H4O2 propanedial propanedial  
1102 C3H4O2 propenalol propenalol  
1103 HOCHCCHOH allenediol aldiol  
1104 C2H4O3 1,2,3-trioxolane c2h4o3  
1105 C2H4O3 trioxolane124 triox  
1106 HOCH2COOH Hydroxyacetic acid hac  
1107 CH2CHCONH2 Acrylamide c79061  
1108 CH3OCH2CN Methoxyacetonitrile c1738369  
1109 CH5N3S Hydrazinecarbothioamide c79196  
1110 H2NCH2COOH Glycine glycine  
1111 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1112 C4H6O cis-2-butenal butenal2c  
1113 C4H6O Cyclobutanone cbutone  
1114 C4H6O Furan, 2,3-dihydro- furan23h  
1115 C4H6O Furan, 2,5-dihydro- furan25h  
1116 CH2CHOCHCH2 Vinyl ether vinylether  
1117 CHOCHCHCH3 2-Butenal butenal2  
1118 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1119 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1120 CH2CHSCHCH2 Divinyl sulfide divis  
1121 C2H6N2O Urea, methyl- c598505  
1122 C3H6O2 1,3-Dioxolane dioxolane  
1123 CH3CH2COOH Propanoic Acid propanoic  
1124 CH3COOCH3 methyl acetate aame  
1125 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1126 C3H7NO dimethylformamide dmf  
1127 C3H7NO Propanamide propanam  
1128 C2H3OC2H5 Ethene, ethoxy- c109922  
1129 C4H8O Cyclobutanol c2919235  
1130 C4H8O Furan, tetrahydro- thf  
1131 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1132 CH3COCH2CH3 2-Butanone buta2one  
1133 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1134 CHOCH2CH2CH3 Butanal butanal  
1135 C3H8O2 1,3-Propanediol c504632  
1136 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1137 C3H8O2 Methane, dimethoxy- c109875  
1138 C3H8O2 Propylene glycol c57556  
1139 C3H8S2 1,3-Propanedithiol c109808  
1140 C4H10O 1-Butanol butanol1  
1141 C4H10O 1-Propanol, 2-methyl- c78831  
1142 C4H10O 2-Butanol, (.+/-.)- butanol2  
1143 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1144 C4H10O Ethoxy ethane etoet  
1145 C4H10O Propane, 2-methoxy- c598538  
1146 C4H10O+ 1-Butanol cation butanol1+  
1147 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1148 C2H5SC2H5 Diethyl sulfide etset  
1149 C4H9SH 1-Butanethiol bush  
1150 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1151 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1152 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1153 FNO3 Fluorine nitrate fno3  
1154 ClONO2 Chlorine nitrate clono2  
1155 BrONO2 Bromine nitrate brono2  
1156 TiCl4 Titanium tetrachloride ticl4  
1157 ClO4- perchlorate anion clo4-  
1158 BF4- tetrafluoroboron anion bf4-  
1159 ClFO3 Perchloryl fluoride clfo3  
1160 SO2F2 Sulfuryl fluoride so2f2  
1161 SO2Cl2 Sulfuryl chloride so2cl2  
1162 F3NO Nitrogen trifluoride oxide f3no  
1163 F3PO Phosphoryl fluoride pf3o  
1164 Cl3PO Phosphoryl chloride pcl3o  
1165 CF4 Carbon tetrafluoride cf4  
1166 SiF4 Silicon tetrafluoride sif4  
1167 TiF4 Titanium tetrafluoride tif4  
1168 CFCl3 Trichloromonofluoromethane cfcl3  
1169 CCl4 Carbon tetrachloride ccl4  
1170 CCl4+ Carbon tetrachloride cation ccl4+  
1171 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1172 SiCl4 Silane, tetrachloro- sicl4  
1173 CF3I trifluoroiodomethane cf3i  
1174 CBrCl3 Methane, bromotrichloro- cbrcl3  
1175 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1176 GeCl4 Germanium Tetrachloride gecl4  
1177 CCl3I trichloroiodomethane ccl3i  
1178 CFBr3 fluorotribromomethane cfbr3  
1179 CFClBrI fluorochlorobromoiodomethane cfclbri  
1180 CF2I2 difluorodiiodomethane cf2i2  
1181 CCl2I2 dichlorodiiodomethane ccl2i2  
1182 SiBr4 Silicon tetrabromide sibr4  
1183 CBr3I tribromoiododmethane cbr3i  
1184 CI4 tetraiodomethane ci4  
1185 SiI4 silicon tetraiodide sii4  
1186 ClOF3 Chlorine trifluoride oxide clof3  
1187 C2HF3 Trifluoroethylene c2hf3  
1188 C2HF3+ Trifluoroethylene cation c2hf3+  
1189 CHClCCl2 Trichloroethylene chclccl2  
1190 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1191 HClO4 perchloric acid hclo4  
1192 HSO3F Fluorosulfonic acid hso3f  
1193 CF3OH trifluoromethanol cf3oh  
1194 CHClCCHCl 1,3-dichloroallene chclcchcl  
1195 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1196 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1197 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1198 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1199 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1200 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1201 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1202 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1203 NH3BCl3 Amminetrichloroboron nh3bcl3  
1204 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1205 C3H5ClO Oxirane, (chloromethyl)- c106898  
1206 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1207 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1208 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
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 2,4-Hexadiyne hexadiyne  
1234 C6H6 3,4-Dimethylenecyclobutene cb34m  
1235 C6H6 Benzene benzene  
1236 C6H6 Benzvalene bv  
1237 C6H6 Hexa-1,5-diene-3-yne hdy153  
1238 C6H6 Trimethylenecycopropane tmcp  
1239 C6H6+ Benzene cation c6h6+  
1240 C6H7+ benzene, protonated c6h7+  
1241 C6H8 (E)-hexa-1,3,5-triene c821078  
1242 C6H8 (E)-hexa-2,3,4-triene c59660650  
1243 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1244 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1245 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1246 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1247 C6H8 3-Methylenecyclopentene c930267  
1248 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1249 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1250 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1251 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1252 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1253 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1254 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1255 C6H10 1,5-Hexadiene c592427  
1256 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1257 C6H10 1-Hexyne hexyne1  
1258 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1259 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1260 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1261 C6H10 2-Hexyne c764352  
1262 C6H10 3-Hexyne hexyne3  
1263 C6H10 cyclohexene cyclohexene  
1264 C6H10 Cyclopentene, 1-methyl- c693890  
1265 C6H10 Cyclopentene, 3-methyl- c1120623  
1266 C6H10 Cyclopentene, 4-methyl- c1759815  
1267 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1268 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1269 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1270 C6H12 (E)-2-Hexene e2hexene  
1271 C6H12 (E)-3-methylpent-2-ene c616126  
1272 C6H12 (E)-hex-3-ene e3hexene  
1273 C6H12 (Z)-3-methylpent-2-ene c922623  
1274 C6H12 (Z)-hex-2-ene z2hexene  
1275 C6H12 (Z)-hex-3-ene z3hexene  
1276 C6H12 2,3-dimethylbut-1-ene c563780  
1277 C6H12 2,3-dimethyl-but-2-ene tmeet  
1278 C6H12 3-methylenepentane c760214  
1279 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1280 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1281 C6H12 Cyclohexane cyclohexane  
1282 C6H12 Cyclopentane, methyl- c96377  
1283 C6H12 Ethylcyclobutane c4806615  
1284 C6H12 hex-1-ene hexene1  
1285 C6H14 Butane, 2,2-dimethyl- buta22  
1286 C6H14 Butane, 2,3-dimethyl- buta23  
1287 C6H14 Hexane hexane  
1288 C6H14 Pentane, 2-methyl- penta2  
1289 C6H14 Pentane, 3-methyl- penta3  
1290 C4N2 2-Butynedinitrile c4n2  
1291 C4H2N2 Fumaronitrile c4h2n2  
1292 C2H2N4 sym-tetrazine ttz  
1293 C3H3N3 1,3,5-Triazine triazine135  
1294 CH3N5 5-Aminotetrazole c4418615  
1295 C4H4N2 1,3-Diazine diazine13  
1296 C4H4N2 Pyridazine pyridazine  
1297 C4H4N2 Succinonitrile c110612  
1298 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1299 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1300 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1301 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1302 C5H5N E-2,4-pentadienenitrile bdcn  
1303 C5H5N Pyridine pyridine  
1304 B3N3H6 borazine borazine  
1305 C6H6 Fulvene fulvene  
1306 C5H6N+ Pyridinium c5h6n  
1307 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1308 C5H7N (E)-2-Pentenenitrile c26294984  
1309 C5H7N (E)-3-Pentenenitrile c16529661  
1310 C5H7N (Z)-2-Pentenenitrile c25899507  
1311 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1312 C5H7N Cyclobutanecarbonitrile c4426113  
1313 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1314 C5H9N Butanenitrile, 2-methyl- c18936179  
1315 C5H9N Pentanenitrile c110598  
1316 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1317 C6H10 Bicyclo[3.1.0]hexane c285585  
1318 C5H11N Cyclopentanamine cypentam  
1319 C5H11N Piperidine piper  
1320 C4H12N2 1,2-Butanediamine c4426486  
1321 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1322 Li2CO3 Lithium Carbonate li2co3  
1323 Na2CO3 Sodium Carbonate na2co3  
1324 C2O4-- oxalate anion c2o4  
1325 MgSO4 Magnesium Sulfate mgso4  
1326 N2O4 Dinitrogen tetroxide n2o4  
1327 C2H2O4 Oxalic Acid oxalic  
1328 C2H3NO3 Oxamic acid oxamic  
1329 C4H4O2 2(5H)-Furanone furanone  
1330 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1331 C2H4N2O2 Oxalamide oxalamide  
1332 C2H4N2S2 Ethanedithioamide c79403  
1333 C2H4CO3 Ethylene carbonate etco3  
1334 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1335 C3H4S3 1,3-Dithiolane-2-thione c822388  
1336 C2H4O4 Formic acid dimer fadimer  
1337 C4H5NO 3-Methylisoxazole isox3m  
1338 C4H5NO Isoxazole, 5-methyl- c5765446  
1339 C4H5NS 4-Methylthiazole c693958  
1340 C2H5NO3 Nitric acid, ethyl ester c625581  
1341 C5H6O 2-methylfuran furan2m  
1342 C5H6O 3-Methylfuran furan3m  
1343 C5H6S Thiophene, 2-methyl- c554143  
1344 C5H6S Thiophene, 3-methyl- c616444  
1345 C4H6O2 2,3-Butanedione c431038  
1346 C4H6O2 2-Propenoic acid, methyl ester c96333  
1347 C4H6O2 Crotonic Acid crot  
1348 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1349 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1350 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1351 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1352 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1353 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1354 C4H6OS Vinyl sulfoxide c1115157  
1355 CH6N4S Carbonothioic dihydrazide thiacarb  
1356 C2H6N2O2 (E)-Azodioxymethane c37765154  
1357 C2H6N2O2 Dimethylnitroamine c4164287  
1358 C3H6S3 1,3,5-Trithiane c3h6s3  
1359 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1360 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1361 C4H7NO 2-Pyrrolidinone c616455  
1362 C4H7NO Ethoxyacetonitrile etoaccn  
1363 C4H7NO Methacrylamide c79390  
1364 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1365 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1366 C3H7ONO Propyl nitrite prono  
1367 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1368 CH3CH(NH2)COOH Alanine alanine  
1369 CH3NHCH2COOH Sarcosine sarcosine  
1370 NH2CH2CH2COOH β–alanine betaalanine  
1371 NH2COOC2H5 Urethane urethane  
1372 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1373 C5H8O Cyclopentanone c120923  
1374 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1375 C5H8O Methyl cyclopropyl ketone c765435  
1376 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1377 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1378 NH2CONHC2H5 Urea, ethyl- c625525  
1379 C4H8O2 1,3-Dioxane dioxan13  
1380 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1381 C4H8O2 1,4-Dioxane dioxan14  
1382 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1383 C4H8O2 Ethyl acetate c141786  
1384 C4H8OS s-Ethyl thioacetate c625605  
1385 C3H8O3 1,2,3-Propanetriol glycerin  
1386 C3H8O2S (Methylsulfonyl)ethane c594434  
1387 C4H9NO Butanamide c541355  
1388 C4H9NO Propanamide, 2-methyl- c563837  
1389 C5H10O 2-Butanone, 3-methyl- c563804  
1390 C5H10O 2H-Pyran, tetrahydro- c142687  
1391 C5H10O 2-methylbutyraldehyde 2meba  
1392 C5H10O 2-Pentanone mpk  
1393 C5H10O Cyclopentanol c96413  
1394 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1395 C5H10O Pentanal pal  
1396 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1397 C5H10S 3-Ethylthio-1-propene c5296628  
1398 C5H10S Cyclopentanethiol c1679078  
1399 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1400 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1401 C4H10O2 1,1-Dimethoxyethane c534156  
1402 C4H10O2 1,3-Butanediol budiol13  
1403 C4H10O2 1,4-Butanediol budiol14  
1404 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1405 C4H10OS Diethyl sulfoxide c70291  
1406 C4H10S2 1,4-Butanedithiol budisl14  
1407 C4H11NO Diethylhydroxylamine c3710847  
1408 C5H12O 1-Butanol, 2-methyl- c137326  
1409 C5H12O 1-Butanol, 3-methyl- c123513  
1410 C5H12O 1-Pentanol pentanol1  
1411 C5H12O 2-Butanol, 3-methyl- c598754  
1412 C5H12O 2-Pentanol peol2  
1413 C5H12O 3-Pentanol pentan3ol  
1414 C5H12O Butane, 1-methoxy- meobu  
1415 C5H12O Propane, 1-ethoxy- proet  
1416 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1417 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1418 C5H12S 1-Butanethiol, 3-methyl- c541311  
1419 C5H12S 1-Pentanethiol c110667  
1420 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1421 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1422 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1423 C5H12S Butane, 1-(methylthio)- c628295  
1424 C5H12S Ethyl propyl sulfide c4110503  
1425 C5H12S Propane, 2-(ethylthio)- c5145993  
1426 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1427 ClCOClCO Oxalyl chloride oxcl  
1428 CF3CN Acetonitrile, trifluoro- cf3cn  
1429 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1430 B2F4 Diboron tetrafluoride b2f4  
1431 B2Cl4 Diboron tetrachloride b2cl4  
1432 C2F4 Tetrafluoroethylene c2f4  
1433 C2F4+ Tetrafluoroethylene cation c2f4+  
1434 CF2CCl2 difluorodichloroethylene cf2ccl2  
1435 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1436 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1437 C2FCl3 fluorotrichloroethene c2fcl3  
1438 C2Cl4 Tetrachloroethylene c2cl4  
1439 CF3OF Trifluoromethylhypofluorite cf3of  
1440 SOF4 Sulfur tetrafluoride oxide sof4  
1441 PF5 Phosphorus pentafluoride pf5  
1442 AsF5 Arsenic pentafluoride asf5  
1443 PCl5 Phosphorus pentachloride pcl5  
1444 SF5 Sulfur pentafluoride sf5  
1445 SF5+ pentafluoro sulfur cation sf5+  
1446 SbCl5 Antimony pentachloride sbcl5  
1447 BrF5 bromine pentafluoride brf5  
1448 ClF5 chlorinepentafluoride clf5  
1449 IF5 pentafluoroiodine if5  
1450 CF3CHO trifluoroacetaldehyde cf3cho  
1451 CCl3CHO trichloroacetaldehyde ccl3cho  
1452 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1453 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1454 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1455 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1456 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1457 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1458 CF3COOH trifluoroacetic acid cf3cooh  
1459 C4H3ClO Furan, 2-chloro fur2cl  
1460 C4H3ClO Furan,3-chloro fur3cl  
1461 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1462 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1463 C4H8Cl2 1,4-Dichlorobutane c110565  
1464 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1465 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1466 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1467 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1468 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1469 C5H11Cl Pentane, 1-chloro- pencl1  
1470 C4H8O2 Butanoic acid bua  
1471 C6H5CH2 benzyl radical benzyl  
1472 C7H7 cycloheptatrienyl radical c7h7  
1473 C7H7+ cycloheptatrienyl cation c7h7+  
1474 C6H5CH3 toluene toluene  
1475 C7H8 cycloheptatriene cht  
1476 C7H8 Norbornadiene norbor  
1477 C7H8 Quadricyclane qucy  
1478 C7H12 Norbornane nor  
1479 C7H14 cycloheptane c7h14  
1480 C7H16 2-methylhexane 2mhex  
1481 C7H16 3-methylhexane hex3m  
1482 C7H16 heptane heptane  
1483 C6H7N 2-Methylpyridine mp  
1484 C6H5NH2 aniline aniline  
1485 C6H13N 2-Methylpiperidine pip2m  
1486 C6H13N cyclohexanamine cham  
1487 C6H15N triethylamine tea  
1488 N2O5 Dinitrogen pentoxide n2o5  
1489 C4H2O3 Maleic Anhydride malan  
1490 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1491 C5H4O2 furfural furfural  
1492 C6H5O phenoxy radical phenoxy  
1493 C5H5NO 2(1H)-Pyridinone c72762006  
1494 C5H5NO 2(3H)-Pyridinone c9000048  
1495 C5H5NO 2(5H)-Pyridinone c9000037  
1496 C5H5NO 2-Pyridinol c109104  
1497 C5H5NO 3(2H)-Pyridinone c9000004  
1498 C5H5NO 3(4H)-Pyridinone c9000026  
1499 C5H5NO 3(6H)-Pyridinone c9000015  
1500 C5H5NO 3-Pyridinol c109002  
1501 C5H5NO 4(1H)-Pryidinone c9000060  
1502 C5H5NO 4(3H)-Pryidinone c9000059  
1503 C5H5NO 4-Pyridinol c626642  
1504 C6H5OH phenol phenol  
1505 C6H6O 2,4-Cyclohexadienone c24599573  
1506 C6H6O 2,5-Cyclohexadienone c5664335  
1507 C6H5SH Benzenethiol phsh  
1508 HO2CCHNH2CH2OH Serine serine  
1509 C5H8O2 Acetylacetone acac  
1510 C4H8O2S Sulfolane sulfolane  
1511 C7H10 Norbornene norbornene  
1512 CH(C2H3)3 trivinyl methane tvm  
1513 C6H10O cyclohexanone chexo  
1514 C6H12O hexanal c6h12o  
1515 C3H7OC3H7 di-n-propyl ether propr  
1516 CF3COO- trifluoro acetate anion cf3coo-  
1517 CF3COF trifluoroacetyl fluoride cf3cof  
1518 CF3COCl trifluoroacetyl chloride cf3cocl  
1519 PF6 Hexafluorophosphate neutral pf6  
1520 PF6- Hexafluorophosphate ion pf6-  
1521 SeF6 Selenium hexafluoride sef6  
1522 SF5Cl sulfur chloropentafluoride sf5cl  
1523 CF3CHF2 pentafluoroethane cf3chf2  
1524 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1525 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1526 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1527 CCl3CHCl2 pentachloroethane ccl3chcl2  
1528 C6H5F Fluorobenzene bzf  
1529 C6H5Cl chlorobenzene bzcl  
1530 C6H5Br bromobenzene bzbr  
1531 C8H6 Calicene calicene  
1532 C6H5CCH phenylacetylene phac  
1533 C8H6 benzocyclobutadiene bcbd  
1534 C8H6 Pentalene pentalene  
1535 C6H5CHCH2 Styrene styrene  
1536 C8H8 cubane cubane  
1537 C8H8 cyclooctatetraene cot  
1538 C6H5CH2CH3 Ethylbenzene etbz  
1539 CH3C6H4CH3 meta-xylene mxylene  
1540 CH3C6H4CH3 paraxylene pxylene  
1541 C8H14 Bicyclo[2.2.2]octane bico222  
1542 C8H16 cyclooctane cyclooct  
1543 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1544 C8H18 Octane c8h18  
1545 C6H5CN phenyl cyanide phcn  
1546 C6H12N2 Triethylenediamine ted  
1547 C4O4-- squarate dianion c4o4--  
1548 S4N4 Tetrasulfur tetranitride s4n4  
1549 S8 Octasulfur s8  
1550 C6H4O2 parabenzoquinone pbq  
1551 C4H4N2O2 Uracil uracil  
1552 C6H5OCH3 Anisole anisole  
1553 C5H9NO2 Proline proline  
1554 C6H12O2 Methyl pivalate c598981  
1555 C6H12O2 Hexanoic acid hexa  
1556 C4F4 tetrafluorcyclobutadiene c4f4  
1557 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1558 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1559 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1560 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1561 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1562 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1563 C2F6 hexafluoroethane c2f6  
1564 IF7 Iodine heptafluoride if7  
1565 C6H4F2 metadifluorobenzene mdfb  
1566 C6H4F2 orthodifluorobenzene odfb  
1567 C6H4F2 1,4-difluorobenzene pdfb  
1568 C6H4Cl2 1,2-dichlorobenzene dcb12  
1569 C6H4Cl2 1,3-dichlorobenzene dcb13  
1570 C6H4Cl2 1,4-dichlorobenzene dcb14  
1571 C9H8 Indene indene  
1572 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1573 C9H12 n-propyl benzene prbz  
1574 C9H20 Nonane nonane  
1575 C(CN)4 tetracyanomethane c5n4  
1576 C5H4N4 purine purine  
1577 C8H7N Indole indole  
1578 C3H3N3O3 cyanuric acid cyanuric  
1579 C6H5NO2 Nitrobenzene c6h5no2  
1580 C6H5COOH benzoic acid benzo  
1581 CH3COC6H5 acetophenone acph  
1582 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1583 C6H3F3 Benzene trifluoride 123 bzf3a  
1584 C10H8 Azulene azu  
1585 C10H8 naphthalene naph  
1586 C10H16 adamantane adamantane  
1587 C6N4 Tetracyanoethylene tcne  
1588 C6N4- tetracyanoethylene anion tcne-  
1589 C10H22 Decane decane  
1590 C4F6 perfluorobutadiene c4f6  
1591 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1592 C3F8 perfluoropropane c3f8  
1593 Fe(CO)5 Iron pentacarbonyl ipc  
1594 Fe(C5H5)2 ferrocene fecp2  
1595 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1596 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1597 C12H8 Acenaphthylene acenaph  
1598 C12H8 biphenylene biph  
1599 C12H10 biphenyl biphenyl  
1600 C12H10 Heptalene heptalene  
1601 C6H12O6 Inositol inositol  
1602 C6F6 hexafluorobenzene c6f6  
1603 S2F10 disulphur decafluoride s2f10  
1604 C13H10 Fluorene fluorene  
1605 C14H10 Anthracene anth  
1606 C14H10 Phenanthrene phenanthrene  
1607 C14H14 Bibenzyl bibenzyl  
1608 C12H10N2 azobenzene azobenzene  
1609 C6H5COC6H5 benzophenone benzophenone  
1610 C16H10 Pyrene pyrene  
1611 C18H12 Tetracene tetracene  
1612 C19H16 Triphenylmethane tpm  
1613 C24H12 Coronene coronene  
1614 C60 Buckminsterfullerene c60