National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

NIST policy on privacy, security, and accessibility.
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

return to home page

III.F.1. (I.A.4.)

List of which calculations are completed at MP4=FULL /6-311+G(3df,2p)

Jump to calculations not yet done
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 Li+ Lithium atom cation 1SKh
10 Na Sodium atom 2SKh
11 Na+ Sodium atom cation 1SKh
12 LiH Lithium Hydride 1ΣC∞v
13 KH Potassium hydride 1ΣC∞v
14 Be Beryllium atom 1SKh
15 Be+ Beryllium atom cation 2SKh
16 Mg Magnesium atom 1SKh
17 Mg+ Magnesium atom cation 2SKh
18 MgH magnesium monohydride 2ΣC∞v
19 ZnH+ Zinc, protonated   
20 BeH2+ Beryllium dihydride cation   
21 B Boron atom 2PKh
22 B Boron atom 4PKh
23 B+ Boron atom cation 1SKh
24 Al Aluminum atom 2PKh
25 Al- Aluminum atom anion 3PKh
26 Al+ Aluminum atom cation 1SKh
27 BH3+ boron trihydride cation 2B2C2v
28 BH3+ boron trihydride cation  C2v
29 AlH3- aluminum trihydride anion  C3v
30 BH4- borohydride anion 1A1Td
31 C Carbon atom 3P0Kh
32 C Carbon atom 3P1Kh
33 C+ Carbon atom cation 2PKh
34 Si Silicon atom 3PKh
35 Si Silicon atom 1SKh
36 Si- Silicon atom anion 4SKh
37 Si+ Silicon atom cation 2PKh
38 CH2- methylene anion 2B1C2v
39 GeH2 germylene 1A1C2v
40 SiH3+ Silyl cation 1A1'D3h
41 CH4 Methane 1A1Td
42 SiH2D2 silane-d2   
43 GeH4 Germane 1A1Td
44 SiH5+ Silane, protonated   
45 N Nitrogen atom 4SKh
46 N Nitrogen atom 2DKh
47 N+ Nitrogen atom cation 3PKh
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 NH2 Amino radical 2B1C2v
55 NH2+ Amino cation 3B1C2v
56 NH2+ Amino cation 1A1C2v
57 NH3 Ammonia 1A1C3v
58 PH3 Phosphine 1A1C3v
59 PH3+ Phosphine cation 2A1C3v
60 NH4 Ammonium radical   
61 PH4 Phosphoranyl radical   
62 O Oxygen atom 3SKh
63 O+ Oxygen atom cation 4SKh
64 S Sulfur atom 3PKh
65 S Sulfur atom   
66 Se Selenium atom 3PKh
67 Se- Selenium atom anion 2PKh
68 Se+ Selenium atom cation 4SKh
69 OH Hydroxyl radical 2ΠC∞v
70 OH+ hydoxyl cation 3ΣC∞v
71 HS- mercapto anion 1ΣC∞v
72 HS+ sulfur monohydride cation 3ΣC∞v
73 CrH+ Chromium hydride cation 5ΣC∞v
74 HSe Selenium monohydride 2ΠC∞v
75 HSe- selenium monohydride anion 1ΣC∞v
76 HSe+ selenium monohydride cation 3ΣC∞v
77 H2O Water 1A1C2v
78 H2O- water anion 2A1C2v
79 H2O- water anion 2A'Cs
80 H2O+ water cation 2B1C2v
81 HDO Water-d1 1A1C2v
82 H2S+ Hydrogen sulfide cation 2B1C2v
83 H2Se Hydrogen selenide 1A1C2v
84 H2Se+ Hydrogen selenide cation 2B1C2v
85 H3S+ Sulfonium cation 1A1C3v
86 H3Se+ Hydrogen Selenide, protonated 1A1C3v
87 F Fluorine atom 2PKh
88 F+ Fluorine atom cation 3SKh
89 Cl Chlorine atom 2PKh
90 Cl+ Chlorine atom cation 3PKh
91 Br Bromine atom 2PKh
92 Br- Bromine atom anion 1SKh
93 Br+ Bromine atom cation 3PKh
94 HF Hydrogen fluoride 1ΣC∞v
95 HCl Hydrogen chloride 1ΣC∞v
96 HCl+ hydrogen chloride cation 2ΠC∞v
97 HBr hydrogen bromide 1ΣC∞v
98 HBr- hydrogen bromide anion 2ΣC∞v
99 HBr+ hydrogen bromide cation 2ΠC∞v
100 H2Cl+ dihydrogen monochloride cation 1A1C2v
101 H2Br+ protonated hydrogen bromide 2A1C2v
102 Ne Neon atom 1SKh
103 Ne Neon atom   
104 Ne+ Neon atom cation 2PKh
105 Ar Argon atom 1SKh
106 Kr Krypton atom 1SKh
107 Kr+ Krypton cation 2PKh
108 HeLi+ Helium Lithium cation   
109 ArH+ Argon hydride cation 1ΣC∞v
110 KrH+ Protonated Krypton 1ΣC∞v
111 Na2 Sodium diatomic 1ΣgD∞h
112 Na2- sodium diatomic anion 2ΣuD∞h
113 LiAl Lithium Aluminum   
114 HBBH Diborane(2) 3ΣGD∞h
115 B2H4 Diborane(4) D2d 1A1D2d
116 B2H6 Diborane 1AgD2h
117 B2H6+ Diborane cation   
118 CaC Calcium monocarbide   
119 BSi Boron silicide 4ΣC∞v
120 BSi Boron silicide 2ΣC∞v
121 SiGe Silicon Germanium   
122 C2H- Ethynyl anion 1ΣC∞v
123 C2H2 Acetylene 1ΣgD∞h
124 C2H2+ acetylene cation 2ΠuD∞h
125 C2H2+ acetylene cation   
126 H2CC- vinylidene anion   
127 HCCH- acetylene anion   
128 HCCH- acetylene anion   
129 CH3Li methyl lithium 1A1C3v
130 C2H3 vinyl 2A'Cs
131 C2H3+ vinyl cation 1A1C2V bridging H
132 C2H3+ vinyl cation 1A1C2V HCCH2
133 C2H4 Ethylene 1AgD2h
134 C2H4+ Ethylene cation 2B3D2
135 Si2H4 Disilene   
136 C2H5 Ethyl radical 2A'Cs
137 C2H6 Ethane 1A1gD3d
138 Si2H6 disilane 1EuD3d
139 LiP Lithium monophosphide   
140 LiP Lithium monophosphide   
141 MgN Magnesium Nitride   
142 MgN Magnesium Nitride   
143 CN Cyano radical 2ΣC∞v
144 SiP Silicon monophosphide 2ΠC∞v
145 N2 Nitrogen diatomic 1ΣgD∞h
146 HCN Hydrogen cyanide 1ΣC∞v
147 HCN+ hydrogen cyanide cation 2ΠC∞v
148 HNC+ hydrogen isocyanide cation   
149 NNH+ Dinitrogen monohydride cation 1ΣC∞v
150 LiNH2 lithium amide   
151 HBNH Boranimine 1ΣC∞v
152 N2H2+ trans-diazene cation 2AGC2h
153 CH2NH Methanimine 1A'Cs
154 CH2NH+ Methanimine cation   
155 CHNH2 aminomethylene   
156 CHNH2+ Aminocarbene cation   
157 BH2NH2 Boranamine   
158 N2H4 Hydrazine 1AC2
159 SiH3NH2 Silane, amino   
160 BH3PH3 borane phosphine   
161 CH3NH3 methyl ammonium radical 2A1C3v
162 N2H7+ ammonia ammonium dimer   
163 CaO Calcium monoxide 1ΣC∞v
164 CaS Calcium sulfide 1ΣC∞v
165 BO boron monoxide 2ΣC∞v
166 CO Carbon monoxide 1ΣC∞v
167 CO- carbon monoxide anion 2ΠC∞v
168 CO+ carbon monoxide cation 2ΣC∞v
169 GeO Germanium monoxide 1ΣC∞v
170 SiSe Silicon Monoselenide   
171 SiSe+ Silicon Monoselenide cation   
172 NO Nitric oxide 2ΠC∞v
173 NO- nitric oxide anion 3ΣC∞v
174 NO+ nitric oxide cation 1ΣC∞v
175 PO Phosphorus monoxide 2ΠC∞v
176 PS phosphorus sulfide 2ΣC∞v
177 NSe Nitrogen monoselenide 2ΠC∞v
178 AsS Arsenic monosulfide 2ΠC∞v
179 PSe Phosphorus monoselenide 2ΠC∞v
180 AsSe Arsenic monoselenide 2ΠC∞v
181 O2 Oxygen diatomic 3ΣgD∞h
182 SO+ sulfur monoxide cation 2ΠC∞v
183 S2 Sulfur diatomic 3ΣgD∞h
184 SeO Selenium monoxide 3ΣC∞v
185 LiOH lithium hydroxide 1ΣC∞v
186 KOH Potassium hydroxide 1ΣC∞v
187 BeOH beryllium monohydroxide 2A'Cs
188 HBO Boron hydride oxide 1ΣC∞v
189 COH Hydroxymethylidyne   
190 HCO- formyl anion 1A'Cs
191 HNO+ Nitrosyl hydride cation 2A'Cs
192 HSO+ Sulfur Monoxide, S-protonated   
193 SOH Sulfur Hydroxide   
194 SOH+ Sulfur Monoxide, protonated   
195 H2CO Formaldehyde 1A1C2v
196 H2CO- formaldehyde anion 2A'Cs
197 H2CO- formaldehyde anion   
198 H2CO+ formaldehyde cation 2B2C2v
199 H2CS Thioformaldehyde 1A1C2v
200 H2CS- thioformaldehyde anion   
201 H2CS- thioformaldehyde anion   
202 H2O2 Hydrogen peroxide 1AC2
203 H2O2 Hydrogen peroxide 1AgC2h
204 H2OO water oxide   
205 HOSH hydrogen thioperoxide   
206 CH2OH+ hydroxymethyl cation 1A'Cs
207 CH3O- methoxy anion 1A1C3v
208 NH2OH hydroxylamine 1A'Cs
209 NH2OH+ Hydroxylamine cation   
210 NH2SH Thiohydroxylamine   
211 NH2SH Thiohydroxylamine   
212 NH3S sulfidoazane   
213 CH3OH Methyl alcohol 1A'Cs
214 CH3OH+ Methyl alcohol cation 2A"Cs
215 SiH3OH silanol   
216 NH2OH2+ protonated hydroxylamine   
217 NH3OH+ N-protonated hydroxylamine   
218 H5O2+ Dihydroxonium ion 1AC2
219 LiF lithium fluoride 1ΣC∞v
220 LiCl lithium chloride 1ΣC∞v
221 NaF+ sodium fluoride cation 2ΣC∞v
222 LiBr Lithium Bromide 1ΣC∞v
223 LiF+ lithium fluoride cation 2ΠC∞v
224 CaBr Calcium monobromide   
225 BF Boron monofluoride 1ΣC∞v
226 AlBr Aluminum monobromide   
227 CF Fluoromethylidyne 2ΠC∞v
228 CBr Carbon monobromide 2ΠC∞v
229 GeCl+ Germanium monochloride cation   
230 SiBr Silicon monobromide 2ΠC∞v
231 SiBr+ Silicon monobromide cation   
232 NCl nitrogen monochloride 3ΣC∞v
233 PBr Phosphorus monobromide   
234 BrCl Bromine monochloride 1ΣC∞v
235 F2 Fluorine diatomic 1ΣgD∞h
236 F2+ flourine diatomic cation 2ΠgD∞h
237 ClF Chlorine monofluoride 1Σ+C∞v
238 ClF+ clorine monofluoride cation 2ΠC∞v
239 Cl2 Chlorine diatomic 1ΣgD∞h
240 Cl2+ chlorine diatomic cation 2ΠgD∞h
241 BrF Bromine monofluoride 1ΣC∞v
242 Br2 Bromine diatomic 1ΣgD∞h
243 Br2- bromine diatomic anion 2ΣuD∞h
244 Br2+ bromine diatomic cation 2ΠgD∞h
245 HCF Fluoromethylene 1A'Cs
246 HCF Fluoromethylene 3A"Cs
247 HOCl hypochlorous acid 1A'Cs
248 HOCl+ hypochlorous acid cation   
249 F2H+ Fluorine, protonated 1A'Cs
250 ClFH+ Chlorine fluoride, F-protonated   
251 FClH+ Chlorine fluoride, Cl-protonated   
252 Cl2H+ Chlorine, protonated 1A'Cs
253 CH2Br bromomethyl radical   
254 CH2F fluoromethyl radical 2ACs
255 CH2F+ fluoromethyl cation   
256 CH2Cl+ chloromethyl cation   
257 CH2Cl chloromethyl radical 2A'Cs
258 CH2Cl chloromethyl radical 2B1C2v
259 NH2Cl chloramine 1A'Cs
260 CH3F+ methyl fluoride cation   
261 CH3Cl Methyl chloride 1A1C3v
262 SiH3Cl chlorosilane 1A1C1
263 CH3Br methyl bromide 1A1C3v
264 NH3Cl+ protonated monochloroammonia   
265 CH3ClH+ methyl chloride, protonated   
266 NH4Cl Ammonium chloride   
267 LiNe+ Lithium Neon cation   
268 C3 carbon trimer 1ΣgD∞h
269 C3 carbon trimer 1A1C2v
270 C3H4 cyclopropene 1A1C2v
271 CH3CCH propyne 1A'C3v
272 C3H5 Allyl radical 2A2C2v
273 C3H6 Cyclopropane 1A1'D3h
274 CH2CHCH3 Propene 1A'Cs
275 C3H7 n-Propyl radical 2A"C1
276 CH3CHCH3 Isopropyl radical 2AC2
277 CH3CHCH3+ Isopropyl cation 1AC2
278 C3H8 Propane 1A1C2v
279 Si3H8 trisilane   
280 LiCN lithium cyanide 1ΣC*V LiCN
281 KCN Potassium cyanide 1ΣC∞v
282 KCN Potassium cyanide 1ΣC∞v
283 KCN Potassium cyanide 1A'Cs
284 ZnCN Zinc monocyanide 2ΣC∞v
285 ZnNC Zinc isocyanide 2ΣC∞v
286 N3 azide radical 2ΠgD∞h
287 HN3+ Hydrazoic acid cation   
288 HNCNH diiminomethane 1AC2
289 HNNNH+ 1,2-Triazadienium   
290 CH3CN Acetonitrile 1A1C3v
291 CH3CN- acetonitrile anion 2EC3v
292 CH3CN- acetonitrile anion 2A'Cs
293 CHNCH2 2H-Azirine   
294 CHNHCH 1H-Azirine   
295 H2CCNH Ethenimine   
296 H2CNCH methyleneaminomethylene   
297 HCCNH2 Ethynamine   
298 HCNCH2+ 2H-Azirine cation   
299 NH2CNH+ cyanamide, cn protonated   
300 NH3CN+ cyanamide, amine protonated   
301 C2H6N+ aziridine, protonated 1A1C2v
302 CH3CH2NH2 Ethylamine   
303 Li2O dilithium oxide 1ΣgD∞h
304 Na2O disodium monoxide 1ΣgLinear
305 Na2O disodium monoxide 1A1C2v
306 Na2S Sodium sulfide   
307 Na2S Sodium sulfide   
308 NaO2 Sodium superoxide   
309 NCO isocyanato radical 2ΠC∞v
310 N2O Nitrous oxide 1ΣC∞v
311 CO2 Carbon dioxide 1ΣgD∞h
312 OCS Carbonyl sulfide 1ΣC∞v
313 CS2 Carbon disulfide 1ΣgD∞h
314 OCSe Carbonyl selenide 1ΣC∞v
315 SCSe Carbon sulfide selenide   
316 NSO sulfinyl amidogen   
317 SNO Nitrogen oxide sulfide   
318 SO2 Sulfur dioxide 1A1C2v
319 S3 Sulfur trimer 1A1C2v
320 S3 Sulfur trimer   
321 SeO2 Selenium dioxide 1A1C2v
322 HCCO ketenyl radical 2ΠC∞v
323 HCCO ketenyl radical 2A"Cs
324 HNCS Isothiocyanic acid   
325 HSCN thiocyanic acid 1A'Cs
326 HOCO Hydrocarboxyl radical 1A'cis
327 HOCO Hydrocarboxyl radical 1A'trans
328 O3H+ protonated ozone 1A'Cs
329 O3H+ protonated ozone   
330 C2H2O Oxirene 1A1C2v
331 CH2CO Ketene 1A1C2v
332 CH2CS Thioketene   
333 Be(OH)2 Beryllium hydroxide   
334 Be(OH)2 Beryllium hydroxide   
335 H2COO Dioxymethyl radical 2A'Cs
336 H2COO+ dioxymethyl cation 2A'Cs
337 HCOOH Formic acid 1A'Cs
338 HCOOH Formic acid   
339 CH2COH+ ketene, protonated   
340 HOCHNH hydroxymethylimine 1A'CS H all up
341 CHSNH2 thioformamide   
342 NHCHSH Methanimidothioic acid   
343 C2H4O Ethylene oxide 1A1C2v
344 C2H4O+ ethylene oxide cation   
345 CH3CHO Acetaldehyde 1A'Cs
346 CH3CHO+ acetaldehyde cation   
347 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
348 C2H4S Thiirane 1A1C2v
349 CH2CHSH Ethenethiol   
350 CH3CHS Thioacetaldehyde 1A'C1
351 NH2CHOH+ Formamide, O-protonated   
352 CH3SSH Hydrogen methyl disulfide   
353 HSCH2SH Methanedithiol   
354 C2H4OH+ ethylene oxide, protonated 1A'Cs
355 NH2CH2OH aminomethanol   
356 CH3CH2SH ethanethiol 1A'Cs
357 CH3SCH3+ dimethyl sulfide cation   
358 CNF iso cyanogen fluoride 1ΣC∞v
359 BrCN Cyanogen bromide 1ΣC∞v
360 CaBr2 Calcium dibromide   
361 BF2 Boron difluoride radical 2A1C2v
362 FSN Thiazyl fluoride 1A'Cs
363 OPCl Phosphorus oxychloride   
364 CF2 Difluoromethylene 1A1D∞h
365 CFCl chlorofluoromethylene 1A'Cs
366 CBr2 dibromomethylene 1A1C2v
367 CBr2 dibromomethylene 3B1C2v
368 OClO- Chlorine dioxide anion 1A'Cs
369 BrOO Bromine dioxide   
370 PF2 Phosphorus difluoride   
371 FClO chlorosyl fluoride 1A'Cs
372 ClOF Chlorine hypofluorite 1A'Cs
373 SF2 sulfur difluoride 1A1C2v
374 SFCl Sulfur chloride fluoride   
375 HCCBr bromoacetylene 1ΣC∞v
376 CHF2+ difluoromethyl cation   
377 CHFCl Chlorofluoromethyl radical   
378 CHFCl+ Chlorofluoromethyl cation   
379 CHCl2+ dichloromethyl cation   
380 CHBr2 dibromomethyl radical   
381 NHF2 difluoramine   
382 NHCl2 dichloroamine   
383 SiH2F2 difluorosilane   
384 CH2Cl2 Methylene chloride 1A1C2v
385 CH2BrCl Methane, bromochloro- 1A'Cs
386 CH2Br2 dibromomethane 1A1C2v
387 CH3MgBr Methyl Magnesium Bromide   
388 CH2FOH fluoromethanol   
389 CH2CH2Cl 2-chloroethyl radical 2A'Cs
390 CHClCH3 1-chloroethyl radical 2AC1
391 C4 Carbon tetramer 3ΣgD∞h
392 C4 Carbon tetramer   
393 C4H2+ diacetlyene cation 2ΠgD∞h
394 C4H4 Tetrahedrane   
395 CH2CHCH2CH3 1-Butene 1AC1
396 CH3CH2CH2CH3 Butane 1AgAnti
397 As4 Arsenic tetramer 1A1Td
398 HCCCN+ Cyanoacetylene cation 2ΠC∞v
399 H2CNCN cyanamide, methylene   
400 HNCCNH Ethenediimine   
401 H2NCHCHNH2 diaminoethylene   
402 CH7N3 triaminomethane   
403 NH2CH2CH2CH3 1-Propanamine 1A'Cs
404 N(SiH3)3 trisilylamine   
405 ONNO NO dimer 1A1cis C2V
406 S2N2 Disulfur dinitride 1AGD2h
407 CS3-- Carbonotrithioate   
408 SO3 Sulfur trioxide 1A1'D3h
409 S4 Sulfur tetramer   
410 S4 Sulfur tetramer   
411 S4 Sulfur tetramer   
412 C3H2O Propadienal   
413 C3H2O Propadienal   
414 CH3NCO methylisocyante   
415 HOCH2CN cyanomethanol   
416 CH3NO2 Methane, nitro- 1A'Cs
417 H3AlO3 Aluminum hydroxide   
418 CH2C(OH)NH2 1-amino vinyl alchohol   
419 CH3C(OH)=NH Ethaninidic acid   
420 CH3CSNH2 Ethanethioamide   
421 CH3CH2CHO Propanal 1A'Cs
422 Li2F2 Lithium fluoride dimer   
423 CF2O+ Carbonic difluoride cation   
424 BF3 Borane, trifluoro- 1A'D3h
425 BF3+ boron trifluoride cation   
426 AlF3 Aluminum trifluoride 1A1'D3h
427 BCl3 Borane, trichloro- 1A1'D3h
428 BCl3+ Boron Trichloride cation   
429 CF2Cl difluorochloromethyl radical   
430 CFCl2 dichlorofluoromethyl radical   
431 CBr3 tribromomethyl radical   
432 ClO2F Chloryl fluoride 1A'Cs
433 SSCl2 Thiothionyl chloride   
434 NCl3 nitrogen trichloride 1A1C3v
435 NBr3 Nitrogen Tribromide 1A1C3v
436 HClO3 Chloric Acid 1A'Cs
437 HClO3 Chloric Acid 1AC1
438 SiHF3 trifluorosilane   
439 CHBrF2 Methane, bromodifluoro- 1A'Cs
440 CHBr2F dibromofluoromethane   
441 AsF3H+ Arsenic trifluoride, protonated   
442 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
443 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
444 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
445 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
446 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
447 C2H4F2 1,2-difluoroethane 1AgC2H anti
448 C2H4F2 1,2-difluoroethane 1AC2 gauche
449 CH2BrCH2Cl 1-bromo-2-chloroethane   
450 CH2CHCH2F Allyl Fluoride   
451 CH3CHCHF trans-1-Fluoro-1-propene   
452 CH2FCH2OH 2-fluoroethanol   
453 CH2FCH2CH3 1-Fluoropropane 1A'Cs
454 CH2FCH2CH3 1-Fluoropropane   
455 CH3CHFCH3 2-Fluoropropane 1A'Cs
456 B5H9 pentaborane9   
457 C5H4 pentatetraene   
458 C5H6 Propellane 1A1D3h
459 C5H8 Bicyclo[1.1.1]pentane   
460 C3H4N2 2H-Imidazole 1A1C2v
461 C4H5N Pyrrole 1A1C2v
462 C3O2 Carbon suboxide 1ΣGD∞h
463 CHOOCHO diformyl ether   
464 C3H3NS Thiazole   
465 CH3COCCH 3-butyn-2-one 1A'Cs
466 C4H4Se selenophene   
467 HCOOC2H5 Ethyl formate 1A'Cs
468 C2H6O2S Dimethyl sulfone 1A1C2v
469 C4H8S Thiophene, tetrahydro- 1AC1
470 C4H10O Methyl propyl ether 1AC1
471 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
472 C4H9SH 1-Butanethiol   
473 CF3Br Bromotrifluoromethane 1A1C3v
474 CBrCl2F bromodichlorofluoromethane   
475 CBr2ClF dibromochlorofluoromethane   
476 CBr2Cl2 dibromodichloromethane 1A1C2v
477 SeF4 Selenium tetrafluoride   
478 CH2ClCCCl 1,3-dichloropropyne   
479 CHCl2CCH 3,3-dichloropropyne   
480 CHCl2CHO dichloroacetaldehyde   
481 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
482 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
483 C2H2N2O Furazan   
484 C6H6 Prismane   
485 C6H6 1,2,4,5-Hexatetraene 1AgC2h
486 C6H6 Benzvalene 1A1C2v
487 C6H6 Dewar Benzene   
488 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
489 C5H6O 2H-Pyran   
490 C5H6O Pentadienal   
491 C4H6O2 γ–Butyrolactone 1AC1
492 C3H6O3 1,3,5-Trioxane 1A1C1
493 C5H10O 3-Pentanone 1A1C2v
494 C4F2 difluorobutadiyne   
495 C2ClF3 Ethene, chlorotrifluoro-   
496 C2Br4 tetrabromoethene   
497 SiF5- silicon pentafluoride anion   
498 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
499 C7H7 cycloheptatrienyl radical 2A2C2v
500 C7H7+ cycloheptatrienyl cation 1A1'D7h
501 CH(CN)3 tricyanomethane   
502 F2CCCF2 tetrafluoroallene   
503 SF6 Sulfur Hexafluoride 1A1GOh
504 S4N4 Tetrasulfur tetranitride   
505 C6H4F2 1,4-difluorobenzene 1AgD2h
506 C6H4Cl2 1,4-dichlorobenzene   
507 C6H5NO nitrosobenzene 1A'Cs
508 C3F6 hexafluoropropene   

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 Na- Sodium atom anion na-  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH- lithium hydride anion lih-  
22 LiH+ lithium hydride cation lih+  
23 NaH sodium hydride nah  
24 NaH- sodium hydride anion nah-  
25 NaH+ sodium hydride cation nah+  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be- Beryllium atom anion be-  
29 Mg- Magnesium atom anion mg-  
30 Ca Calcium atom ca  
31 Ca- Calcium atom anion ca-  
32 Ca+ Calcium atom cation ca+  
33 Zn Zinc atom zn  
34 Zn- Zinc atom anion zn-  
35 Zn+ Zinc atom cation zn+  
36 BeH beryllium monohydride beh  
37 BeH- berylium monohydride anion beh-  
38 BeH+ beryllium monohydride cation beh+  
39 MgH- magnesium monohydride anion mgh-  
40 MgH+ magnesium monohydride cation mgh+  
41 CaH Calcium monohydride cah  
42 CaH+ Calcium monohydride cation cah+  
43 TiH Titanium monohydride tih  
44 ZnH Zinc monohydride znh  
45 BeH2 beryllium dihydride beh2  
46 MgH2 magnesium dihydride mgh2  
47 CaH2 Calcium Hydride cah2  
48 ZnH2 Zinc hydride znh2  
49 B- Boron atom anion b-  
50 Sc Scandium atom sc  
51 Sc+ Scandium cation sc+  
52 Ga Gallium atom ga  
53 Ga- Gallium atom anion ga-  
54 Ga+ Gallium atom cation ga+  
55 BH Boron monohydride bh  
56 BH- boron monohydride anion bh-  
57 BH+ boron monohydride cation bh+  
58 AlH aluminum monohydride alh  
59 AlH- aluminum monohydride anion alh-  
60 AlH+ aluminum monohydride cation alh+  
61 ScH Scandium monohydride sch  
62 ScH+ Scandium monohydride cation sch+  
63 GaH Gallium monohydride gah  
64 GaH+ Gallium monohydride cation gah+  
65 BH2 boron dihydride bh2  
66 BH2- boron dihydride anion bh2-  
67 BH2+ Boron dihydride cation bh2+  
68 AlH2 aluminum dihydride alh2  
69 AlH2- aluminum dihydride anion alh2-  
70 AlH2+ aluminum dihydride cation alh2+  
71 BH3 boron trihydride bh3  
72 BH3- boron trihydride anion bh3-  
73 AlH3 aluminum trihydride alh3  
74 AlH3+ aluminum trihydride cation alh3+  
75 ScH3 Scandium trihydride sch3  
76 GaH3 Gallium trihydride gah3  
77 BH4 borohydride bh4  
78 AlH4- Aluminum tetrahydride anion alh4-  
79 C- Carbon atom anion c-  
80 Ti Titanium atom ti  
81 Ti- Titanium atom anion ti-  
82 Ti+ Titanium atom cation ti+  
83 Ge Germanium atom ge  
84 Ge- Germanium anion ge-  
85 Ge+ Germanium cation ge+  
86 Sn Tin atom sn  
87 Sn+ Tin cation sn+  
88 CH Methylidyne ch  
89 CH- methylidyne anion ch-  
90 CH+ Methylidyne cation ch+  
91 SiH Silylidyne sih  
92 SiH- silicon monohydride anion sih-  
93 SiH+ silicon monohydride cation sih+  
94 GeH germylidene geh  
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 radical ch3  
103 CH3- methyl anion ch3-  
104 CH3+ methyl cation ch3+  
105 SiH3 Silyl radical sih3  
106 SiH3- Silyl anion sih3-  
107 GeH3 Germyl radical geh3  
108 GeH3+ germyl cation geh3+  
109 CD4 methane-d4 cd4  
110 CH2D2 methane-d2 ch2d2  
111 CH3D methane-d ch3d  
112 CH4- Methane anion ch4-  
113 CH4+ Methane cation ch4+  
114 CHD3 methane-d3 chd3  
115 SiH4 Silane sih4  
116 SiH4+ Silane cation sih4+  
117 SnH4 Stannane snh4  
118 N- Nitrogen atom anion n-  
119 P- Phosphorus atom anion p-  
120 P+ Phosphorus atom cation p+  
121 V Vanadium atom v  
122 Sb Antimony atom sb  
123 NH Imidogen nh  
124 NH- Imidogen anion nh-  
125 NH+ imidogen cation nh+  
126 PH- phosphorus monohydride anion ph-  
127 PH+ phosphorus monohydride cation ph+  
128 AsH Arsenic monohydride ash  
129 AsH+ Arsenic monohydride cation ash+  
130 SbH Antimony monohydride sbh  
131 ND2 Amidogen-d2 nd2  
132 NH2- amino anion nh2-  
133 PH2 Phosphino radical ph2  
134 PH2- Phosphino anion ph2-  
135 PH2+ Phosphino cation ph2+  
136 AsH2 Arsenic dihydride ash2  
137 AsH2+ Arsenic dihydride cation ash2+  
138 ND3 Ammonia-d3 nd3  
139 NH3- Ammonia anion nh3-  
140 NH3+ ammonia cation nh3+  
141 AsH3 Arsine ash3  
142 AsH3+ Arsine cation ash3+  
143 SbH3 Stibine sbh3  
144 AsH4+ Arsonium ash4+  
145 NH4+ ammonium cation nh4+  
146 PH4+ phosphonium cation ph4+  
147 O- Oxygen atom anion o-  
148 S- Sulfur atom anion s-  
149 S+ Sulfur atom cation s+  
150 Cr Chromium atom cr  
151 Te Tellurium atom te  
152 Te+ Tellurium atom cation te+  
153 DO Hydroxyl-d od  
154 OH- hydroxide anion oh-  
155 DS Mercapto-d ds  
156 HS Mercapto radical hs  
157 CrH Chromium hydride crh  
158 TeH Telluryl radical teh  
159 D2O Deuterium oxide d2o  
160 D2S Hydrogen sulfide-d2 d2s  
161 H2S Hydrogen sulfide h2s  
162 H2S- Hydrogen sulfide anion h2s-  
163 H2Te Hydrogen Telluride h2te  
164 H3O+ hydronium cation h3o+  
165 F- Fluorine atom anion f-  
166 Cl- Chlorine atom anion cl-  
167 Mn Manganese atom mn  
168 I Iodine atom iodine  
169 I- Iodine atom anion iodine-  
170 I+ Iodine atom cation iodine+  
171 DF Hydrofluoric acid-d df  
172 HF- hydrogen fluoride anion hf-  
173 HF+ hydrogen fluoride cation hf+  
174 DCl Hydrochloric acid-d dcl  
175 HCl- hydrogen chloride anion hcl-  
176 HI Hydrogen iodide hi  
177 HI+ Hydrogen iodide cation hi+  
178 H2F+ dihydrogen fluoride cation h2f+  
179 H2I+ Iodonium h2i+  
180 Ne- Neon atom anion ne-  
181 Ar- Argon atom anion ar-  
182 Ar+ Argon atom cation ar+  
183 Fe Iron atom fe  
184 Xe Xenon atom xe  
185 NeH neon hydrogen neh  
186 NeH+ neon hydrogen cation neh+  
187 XeH+ Xenon, protonated xeh+  
188 H2Ar H2 Ar dimer h2ar  
189 Co Cobalt atom cobalt  
190 Ni Nickel atom ni  
191 Li2 Lithium diatomic li2  
192 Li2- lithium diatomic anion li2-  
193 Li2+ lithium diatomic cation li2+  
194 NaLi lithium sodium lina  
195 NaLi- lithium sodium anion lina-  
196 NaLi+ lithium sodium cation lina+  
197 LiK Lithium Potassium lik  
198 Na2+ sodium diatomic cation na2+  
199 NaK Sodium Potassium nak  
200 NaK+ Sodium Potassium diatomic cation nak+  
201 K2 Potassium diatomic k2  
202 Cu2 Copper diatomic cu2  
203 LiBe Lithium Beryllium libe  
204 LiMg Lithium magnesium limg  
205 NaBe Sodium Beryllium nabe  
206 NaMg Sodium Magnesium namg  
207 Be2 Beryllium diatomic be2  
208 Be2- Beryllium diatomic anion be2-  
209 Be2+ Beryllium diatomic cation be2+  
210 BeMg Beryllium Magnesium bemg  
211 Mg2 Magnesium diatomic mg2  
212 Mg2- magnesium diatomic anion mg2-  
213 Mg2+ magnesium diatomic cation mg2+  
214 Ca2 Calcium diatomic ca2  
215 LiB Lithium boride lib  
216 NaAl Sodium aluminum naal  
217 BeB Beryllium monoboride beb  
218 B2 Boron diatomic b2  
219 B2- Boron diatomic anion b2-  
220 B2+ Boron diatomic cation b2+  
221 BAl Boron Aluminum bal  
222 Al2 Aluminum diatomic al2  
223 Al2- aluminum diatomic anion al2-  
224 Al2+ aluminum diatomic cation al2+  
225 BGa Boron Gallium bga  
226 AlGa Aluminum Gallium alga  
227 Ga2 Gallium diatomic ga2  
228 LiBH4 Lithium borohydride libh4  
229 HBHHBH Diborane(4) C2V hbhhbh  
230 Al2H6 dialane al2h6  
231 Ga2H6 digallane ga2h6  
232 LiC Lithium Carbide lic  
233 BeC Beryllium Carbide bec  
234 BC boron monocarbide bc  
235 BC- boron monocarbide anion bc-  
236 BC+ boron monocarbide cation bc+  
237 AlC Aluminum carbide alc  
238 C2 Carbon diatomic c2  
239 C2- carbon diatomic anion c2-  
240 C2+ carbon diatomic cation c2+  
241 SiC silicon monocarbide sic  
242 SiC- silicon monocarbide anion sic-  
243 SiC+ silicon monocarbide cation sic+  
244 Si2 Silicon diatomic si2  
245 Si2- silcon diatomic anion si2-  
246 Si2+ silcon diatomic cation si2+  
247 GeC Germanium monocarbide gec  
248 Ge2 Germanium diatomic ge2  
249 C2H Ethynyl radical c2h  
250 C2H+ Ethynyl cation c2h+  
251 ZnCH2 Zinc methylene znch2  
252 CCH2 vinylidene vinylidene  
253 Si2H2 disilyne si2h2  
254 CuCH3 monomethyl copper cuch3  
255 ZnCH3 Zinc monomethyl znch3  
256 CH2BH methyleneborane ch2bh  
257 C2H3- vinyl anion c2h3-  
258 C2H4- Ethylene anion c2h4-  
259 CH3CH methylmethylene ch3ch  
260 CH2SiH2 silaethylene ch2sih2  
261 CH3BH2 methylborane ch3bh2  
262 C2H5- Ethyl anion c2h5-  
263 C2H5+ Ethyl cation c2h5+  
264 C2H6+ ethane cation c2h6+  
265 CH3SiH3 methyl silane ch3sih3  
266 GeH3CH3 methyl germane geh3ch3  
267 C2H7+ Ethane, protonated c2h7+  
268 LiN Lithium Nitride lin  
269 LiN+ Lithium Nitride cation lin+  
270 BeN Beryllium mononitride ben  
271 BeN- Beryllium mononitride anion ben-  
272 BeN+ Beryllium mononitride cation ben+  
273 BN- boron nitride anion bn-  
274 AlN- aluminum mononitride anion aln-  
275 AlN+ aluminum mononitride cation aln+  
276 BP Boron monophosphide bp  
277 AlP Aluminum monophosphide alp  
278 GaN Gallium mononitride gan  
279 GaP Gallium monophosphide gap  
280 GaAs Gallium arsenide gaas  
281 BN boron nitride bn  
282 BN+ boron nitride cation bn+  
283 AlN Aluminum nitride aln  
284 CN- cyanide anion cn-  
285 CN+ Cyano cation cn+  
286 CP Carbon monophosphide cp  
287 CP- carbon monophosphide anion cp-  
288 CP+ carbon monophosphide cation cp+  
289 SiN Silicon nitride sin  
290 SiN- silicon mononitride anion sin-  
291 SiN+ silicon mononitride cation sin+  
292 SiP- Silicon monophosphide anion sip-  
293 SiP+ Silicon monophosphide cation sip+  
294 TiN Titanium mononitride tin  
295 N2- nitrogen diatomic anion n2-  
296 N2+ diatomic nitrogen cation n2+  
297 PN Phosphorus mononitride pn  
298 PN- phosphorus nitride anion pn-  
299 PN+ phosphorus nitride cation pn+  
300 P2 Phosphorus diatomic p2  
301 P2- phosphorus diatomic anion p2-  
302 P2+ phosphorus diatomic cation p2+  
303 AsN Arsenic mononitride asn  
304 AsP Arsenic monophosphide asp  
305 SbN Antimony nitride sbn  
306 As2 Arsenic diatomic as2  
307 HNB hydrogen nitrogen boron hnb  
308 HNC hydrogen isocyanide hnc  
309 HCN- Hydrogen cyanide anion hcn-  
310 HCP Phosphaethyne hcp  
311 HCP+ Phosphaethyne cation hcp+  
312 NNH Dinitrogen monohydride nnh  
313 HPO Hydrogen phosphorus oxide hpo  
314 HPO+ Hydrogen phosphorus oxide cation hpo+  
315 CNH2 Aminomethylidyne radical cnh2  
316 CNH2+ N-protonated hydrogen isocyanide cnh2+  
317 H2CN Dihydrogen cyanide radical h2cn  
318 H2CN+ hydrocyanonium cation h2cn+  
319 HCNH methyleneazane hcnh  
320 HCNH+ N-protonated HCN hcnh+  
321 H2NN Isodiazene h2nn  
322 N2H2 (E)-diazene n2h2  
323 N2H2 (Z)-Diazene n2h2z  
324 CH2PH Phosphaethene ch3p  
325 CH2NH2+ methyleneamine cation ch2nh2+  
326 N2H4+ hydrazine cation n2h4+  
327 P2H4 Diphosphine p2h4  
328 CH3NH2 methyl amine ch3nh2  
329 CH3NH2+ methyl amine cation ch3nh2+  
330 CH3PH2 Methyl phosphine ch3ph2  
331 N2H5+ protonated hydrazine n2h5+  
332 BH3NH3 borane ammonia bh3nh3  
333 CH3NH3+ protonated methylamine ch3nh3+  
334 CH3PH3+ methyl phosphine, protonated ch3ph3+  
335 NH3NH3 Ammonia Dimer nh3nh3  
336 LiO lithium oxide lio  
337 LiO- lithium oxide anion lio-  
338 LiO+ lithium oxide cation lio+  
339 LiS Lithium monosulfide lis  
340 LiS+ Lithium sulfide cation lis+  
341 NaO sodium monoxide nao  
342 NaO- sodium oxide anion nao-  
343 NaO+ sodium oxide cation nao+  
344 KO Potassium monoxide ko  
345 KO+ Potassium monoxide cation ko+  
346 NaS Sodium sulfide nas  
347 CuO Copper Monoxide cuo  
348 LiSe Lithium monoselenide lise  
349 BeO beryllium oxide beo  
350 BeO- Beryllium monoxide anion beo-  
351 BeO+ Beryllium monoxide cation beo+  
352 BeS beryllium sulfide bes  
353 MgO magnesium oxide mgo  
354 MgO- magnesium oxide anion mgo-  
355 MgO+ magnesium oxide cation mgo+  
356 MgS magnesium sulfide mgs  
357 MgS- magnesium sulfide anion mgs-  
358 MgS+ magnesium sulfide cation mgs+  
359 ZnO zinc monoxide zno  
360 ZnS Zinc sulfide zns  
361 BeS- Beryllium monosulfide anion bes-  
362 BeS+ Beryllium monosulfide cation bes+  
363 BO- boron monoxide anion bo-  
364 AlO Aluminum monoxide alo  
365 AlO- Aluminum monoxide anion alo-  
366 AlO+ aluminum monoxide cation alo+  
367 BS boron sulfide bs  
368 BS- boron monosulfide anion bs-  
369 BS+ boron monosulfide cation bs+  
370 AlS Aluminum sulfide als  
371 AlS- aluminum monosulfide anion als-  
372 AlS+ aluminum monosulfide cation als+  
373 ScO Scandium monoxide sco  
374 GaO Gallium monoxide gao  
375 GaS Gallium monosulfide gas  
376 BO+ boron monoxide cation bo+  
377 CS carbon monosulfide cs  
378 CS- carbon monosulfide anion cs-  
379 CS+ carbon monosulfide cation cs+  
380 SiO Silicon monoxide sio  
381 SiO- silicon monoxide anion sio-  
382 SiO+ silicon monoxide cation sio+  
383 SiS silicon monosulfide sis  
384 SiS- silicon monosulfide anion sis-  
385 SiS+ silicon monosulfide cation sis+  
386 TiO Titanium monoxide tio  
387 CSe Carbon monoselenide cse  
388 CSe- Carbon monoselenide anion cse-  
389 CSe+ Carbon monoselenide cation cse+  
390 GeO+ Germanium monoxide cation geo+  
391 GeS Germanium monosulfide ges  
392 GeSe Germanium monoselenide gese  
393 NS Mononitrogen monosulfide ns  
394 NS- nitrogen sulfide anion ns-  
395 NS+ nitrogen sulfide cation ns+  
396 PO- phosphorus monoxide anion po-  
397 PO+ phosphorus monoxide cation po+  
398 PS- phosphorus monosulfide anion ps-  
399 PS+ phosphorus monosulfide cation ps+  
400 VO Vanadium monoxide vo  
401 AsO Arsenic monoxide aso  
402 O2- oxygen diatomic anion o2-  
403 O2-- dioxygen dianion o2--  
404 O2+ diatomic oxygen cation o2+  
405 SO Sulfur monoxide so  
406 SO- sulfur monoxide anion so-  
407 S2- sulfur diatomic anion s2-  
408 S2+ sulfur diatomic cation s2+  
409 SeO- selenium monoxide anion seo-  
410 SeO+ selenium monoxide cation seo+  
411 SeS Selenium monosulfide ses  
412 SeS- selenium monosulfide anion ses-  
413 SeS+ selenium monosulfide cation ses+  
414 TeO Tellurium monoxide teo  
415 Se2 Selenium diatomic se2  
416 Se2- selenium diatomic anion se2-  
417 Se2+ selenium diatomic cation se2+  
418 Te2 Tellurium diatomic te2  
419 NaOH sodium hydroxide naoh  
420 MgOH magnesium hydroxide mgoh  
421 CaOH Calcium monohydroxide caoh  
422 HBS hydrogen boron sulfide hbs  
423 COH+ Carbon Monoxide, protonated coh+  
424 HCO Formyl radical hco  
425 HCO+ Formyl cation hco+  
426 HCS Thioformyl radical hcs  
427 HCS- Thioformyl anion hcs-  
428 HCS+ Thioformyl cation hcs+  
429 HNO Nitrosyl hydride hno  
430 HNO- Nitrosyl hydride anion hno-  
431 NOH Hydroxyimidogen noh  
432 NOH+ O-protonated nitric oxide noh+  
433 HNS Sulfur imide hns  
434 HNS- Sulfur imide anion hns-  
435 HO2 Hydroperoxy radical ho2  
436 HO2- Hydroperoxy anion ho2-  
437 HO2+ Hydroperoxy cation ho2+  
438 HS2 Thiosulfeno radical hs2  
439 HOCH hydroxycarbene hoch  
440 H2CS+ thioformaldehyde cation h2cs+  
441 H2CSe Selenoformaldehyde h2cse  
442 H2NO nitroxide h2no  
443 H2O2+ Hydrogen peroxide cation h2o2+  
444 H2S2 Disulfane h2s2  
445 H2S2+ hydrogen disulfide cation h2s2+  
446 H2Se2 hydrogen diselenide h2se2  
447 CH2OH Hydroxymethyl radical ch2oh  
448 CH3O Methoxy radical ch3o  
449 CH3O+ Methoxy cation ch3o+  
450 CH3S thiomethoxy ch3s  
451 H2CSH+ Thioformaldehyde, protonated h2csh+  
452 NH3O Ammonia Oxide nh3o  
453 H2POH Phosphinous acid h2poh  
454 H3PO Phosphine oxide h3po  
455 H3O2+ hydrogen peroxide, protonated h3o2+  
456 CH3OH- Methyl alcohol anion ch3oh-  
457 CH3SH Methanethiol ch3sh  
458 CH3SH+ Methanethiol cation ch3sh+  
459 CH3SeH Methane selenol ch3seh  
460 H2OH2O water dimer h2oh2o  
461 CH3OH2+ Methanol, protonated ch3oh2+  
462 CH3SH2+ protonated methylsulfide ch3sh2+  
463 H2ONH3 Water Ammonia Dimer h2onh3  
464 LiCl- lithium chloride anion licl-  
465 LiCl+ lithium chloride cation licl+  
466 NaF sodium fluoride naf  
467 NaF- sodium fluoride anion naf-  
468 KF Potassium Fluoride kf  
469 NaCl Sodium Chloride nacl  
470 NaCl- sodium chloride anion nacl-  
471 NaCl+ sodium chloride cation nacl+  
472 KCl Potassium Chloride kcl  
473 CuF Copper monofluoride cuf  
474 LiBr- lithium bromide anion libr-  
475 LiBr+ lithium bromide cation libr+  
476 CuCl Copper monochloride cucl  
477 NaBr Sodium Bromide nabr  
478 NaBr- sodium bromide anion nabr-  
479 NaBr+ sodium bromide cation nabr+  
480 KBr Potassium Bromide kbr  
481 LiI Lithium Iodide lii  
482 NaI Sodium Iodide nai  
483 KI Potassium Iodide ki  
484 LiF- lithium fluoride anion lif-  
485 BeF Beryllium monofluoride bef  
486 BeF- Beryllium monofluoride anion bef-  
487 BeF+ Beryllium monofluoride cation bef+  
488 BeCl beryllium monochloride becl  
489 MgF Magnesium monofluoride mgf  
490 MgF- magnesium fluoride anion mgf-  
491 MgF+ magnesium fluoride cation mgf+  
492 CaF Calcium monofluoride caf  
493 MgCl magnesium monochloride mgcl  
494 MgCl- magnesium monochloride anion mgcl-  
495 MgCl+ magnesium monochloride cation mgcl+  
496 CaCl calcium monochloride cacl  
497 TiCl Titanium Monochloride ticl  
498 ZnF Zinc monofluoride znf  
499 ZnF- Zinc monofluoride anion znf-  
500 ZnF+ Zinc monofluoride cation znf+  
501 ZnCl Zinc monochloride zncl  
502 BeCl- beryllium monochloride anion becl-  
503 BeCl+ beryllium monochloride cation becl+  
504 BF- Boron monofluoride anion bf-  
505 BF+ Boron monofluoride cation bf+  
506 AlF Aluminum monofluoride alf  
507 AlF- Aluminum monofluoride anion alf-  
508 AlF+ Aluminum monofluoride cation alf+  
509 BCl boron monochloride bcl  
510 BCl- boron monochloride anion bcl-  
511 BCl+ boron monochloride cation bcl+  
512 AlCl Aluminum monochloride alcl  
513 AlCl- aluminum monochloride anion alcl-  
514 AlCl+ aluminum monochloride cation alcl+  
515 ScF Scandium monofluoride scf  
516 BBr Boron monobromide bbr  
517 GaF Gallium monofluoride gaf  
518 GaF+ Gallium monofluoride cation gaf+  
519 GaCl Gallium monochloride gacl  
520 GaCl+ Gallium monochloride cation gacl+  
521 AlI Aluminum monoiodide ali  
522 GaBr Gallium monobromide gabr  
523 CF- carbon monofluoride anion cf-  
524 CF+ carbon monofluoride cation cf+  
525 CCl carbon monochloride ccl  
526 CCl- carbon monochloride anion ccl-  
527 CCl+ carbon monochloride cation ccl+  
528 SiF silicon monofluoride sif  
529 SiF- silicon monofluoride anion sif-  
530 SiF+ silicon monofluoride cation sif+  
531 SiCl Clorosilylidyne sicl  
532 SiCl- silicon monochloride anion sicl-  
533 SiCl+ silicon monochloride cation sicl+  
534 GeF Germanium monofluoride gef  
535 GeF+ Germanium monofluoride cation gef+  
536 GeCl Germanium monochloride gecl  
537 NF nitrogen fluoride nf  
538 NF- nitrogen monofluorine anion nf-  
539 NF+ nitrogen monofluoirde cation nf+  
540 NCl- nitrogen monochloride anion ncl-  
541 NCl+ nitrogen monochloride cation ncl+  
542 PF phosphorus monofluoride pf  
543 PF- phosphorus monofluoride anion pf-  
544 PF+ phosphorus monofluoride cation pf+  
545 PCl phosphorus chloride pcl  
546 PCl- phosphorus monochloride anion pcl-  
547 PCl+ phosphorus monochloride cation pcl+  
548 AsF Arsenic monofluoride asf  
549 NBr nitrogen monobromide nbr  
550 AsCl Arsenic monochloride ascl  
551 SbF Antimony monofluoride sbf  
552 SbCl Antimony monochloride sbcl  
553 FO Oxygen monofluoride fo  
554 FO- flourine oxide anion fo-  
555 FO+ fluorine monoxide cation fo+  
556 ClO Monochlorine monoxide clo  
557 ClO- chlorine monoxide anion clo-  
558 ClO+ chlorine monoxide cation clo+  
559 SF Monosulfur monofluoride sf  
560 SF- sulfur monofluoride anion sf-  
561 SF+ sulfur monofluoride cation sf+  
562 SCl sulfur monochloride scl  
563 SCl- sulfur monochloride anion scl-  
564 SCl+ sulfur monochloride cation scl+  
565 BrO Bromine monoxide bro  
566 BrO- Bromine monoxide anion bro-  
567 BrO+ Bromine monoxide cation bro+  
568 SeF Selenium monofluoride sef  
569 SBr Sulfur monobromide radical sbr  
570 SBr+ Sulfur monobromide cation sbr+  
571 SeCl Selenium monochloride secl  
572 IO Iodine monoxide io  
573 SeBr Selenium monobromide sebr  
574 F2- flourine diatomic anion f2-  
575 ClF- clorine monofluoride anion clf-  
576 Cl2- chlorine diatomic anion cl2-  
577 BrF- bromine fluoride anion brf-  
578 BrF+ bromine fluoride cation brf+  
579 BrCl- bromine chloride anion brcl-  
580 BrCl+ bromine chloride cation brcl+  
581 IF Iodine monofluoride if  
582 ICl Iodine monochloride icl  
583 IBr Iodine monobromide ibr  
584 I2 Iodine diatomic i2  
585 I2+ Iodine diatomic cation i2+  
586 HCCl Chloromethylene hccl  
587 HSiF fluorosilylene hsif  
588 HSiCl Chlorosilylene hsicl  
589 HSiBr monobromosilylene hsibr  
590 CHBr bromomethylene chbr  
591 HOF Hypofluorous acid hfo  
592 DOCl Hypochlorous acid-d docl  
593 HOBr Hypobromous acid hobr  
594 HOBr+ Hypobromous acid cation hobr+  
595 HOI Hypoiodous acid hoi  
596 FHF Hydrogen difluoride fhf  
597 FHF- Hydrogen difluoride anion fhf-  
598 NH2F monofluoroamine nh2f  
599 H2F2 Hydrogen fluoride dimer h2f2  
600 CD3F methylfluoride-d3 cd3f  
601 CH3F Methyl fluoride ch3f  
602 CD3Cl methyl chloride d3 cd3cl  
603 CH3Cl+ Methyl chloride cation ch3cl+  
604 SiH3F monofluorosilane sih3f  
605 GeH3F monofluorogermane geh3f  
606 GeH3Cl monochlorogermane geh3cl  
607 SiH3Br bromosilane sih3br  
608 CH3I methyl iodide ch3i  
609 SiH3I Silyl Iodide sih3i  
610 Ne2 Neon diatomic ne2  
611 Ne2+ Neon diatomic cation ne2+  
612 Ar2 Argon diatomic ar2  
613 Ar2+ Argon diatomic cation ar2+  
614 Li3 Lithium trimer li3  
615 Li3+ Lithium trimer cation li3+  
616 C3+ carbon trimer cation c3+  
617 SiC2 Silicon dicarbide sic2  
618 C3H3 cyclopropenyl radical cpr  
619 C3H3 Propargyl radical propargyl  
620 C3H3- Propargyl anion c3h3-  
621 C3H3+ cyclopropenyl cation cpr+  
622 C3H3+ Propargyl cation c3h3+  
623 CH2CCH2 allene allene  
624 C3H5+ Allyl cation allyl+  
625 CH3CHCH 1-propenyl radical ch3chch  
626 Zn(CH3)2 dimethyl zinc dmz  
627 C3H7+ cyclopropane, protonated c3h7+  
628 SiH2(CH3)2 dimethylsilane dms  
629 NaCN Sodium Cyanide nacn  
630 CuCN Copper cyanide cucn  
631 AlCN Aluminum monocyanide alcn  
632 AlNC Aluminum isocyanide alnc  
633 CN2 3H-Diazirin-3-ylidene cn2  
634 CNN Diazocarbene cnn  
635 NCN Cyanoimidogen ncn  
636 N3- azide anion n3-  
637 N3+ azide cation n3+  
638 HCCN cyanomethylene hccn  
639 HCNN diazomethyl radical hcnn  
640 HN3 hydrogen azide hn3  
641 CH2N2 diazirine ch2n2  
642 CH2NN diazomethane ch2nn  
643 NH2CN cyanamide cyanamide  
644 NH2NN+ hydrazoic acid, protonated nh2nn+  
645 CH3CN+ Acetonitrile cation ch3cn+  
646 CH3NC methyl isocyanide ch3nc  
647 HNCNH2+ diiminomethane, protonated hncnh2+  
648 NCNH3+ Cyanamide, protonated ncnh3+  
649 CH2CHNH vinylazine ch2chnh  
650 CH3CHN methylmethaniminyl radical ch3chn  
651 NHCHNH2 aminomethanimine cn2h4  
652 C2H5N Aziridine c2h5n  
653 CH2CHNH2 aminoethene aminoethene  
654 CH2NCH3 N-methylmethanimine nmm  
655 CH3CHNH ethanimine ethanimine  
656 NH2BHNH2 diaminoborane nh2bhnh2  
657 C2H5NH+ Protonated Aziridine c2h5nh+  
658 NH2CH2NH2 diaminomethane nh2ch2nh2  
659 CH3NHCH3 Dimethylamine ch3nhch3  
660 CH3PHCH3 dimethylphosphine ch3phch3  
661 NH2CH2NH3+ diaminoethane, protonated pdam  
662 (CH3)2NH2+ dimethylammonium cation dmam  
663 CH3CH2NH3+ ethylamine, protonated pea  
664 Li2O+ dilithium oxide cation li2o+  
665 Li2S dilithium sulfide li2s  
666 LiO2 Lithium dioxide lio2  
667 CCO Dicarbon monoxide cco  
668 CNO- fulminate cno-  
669 NCO- cyanate nco-  
670 SCN thiocyanato radical scn  
671 SCN- thiocyanide anion scn-  
672 BO2 Boron dioxide bo2  
673 BO2- Boron dioxide anion bo2-  
674 BO2+ Boron dioxide cation bo2+  
675 N2O- Nitrous oxide anion n2o-  
676 N2O+ Nitrous oxide cation n2o+  
677 NNS Nitrogen sulfide nns  
678 PPO Phosphorus oxide phosphide ppo  
679 CO2- Carbon dioxide anion co2-  
680 CO2+ Carbon dioxide cation co2+  
681 OCS+ Carbonyl sulfide cation cos+  
682 SiO2 silicon dioxide sio2  
683 CS2- Carbon disulfide anion cs2-  
684 CS2+ Carbon disulfide cation cs2+  
685 TiO2 Titanium dioxide tio2  
686 SiS2 Silicon disulfide sis2  
687 GeO2 Germanium dioxide geo2  
688 GeS2 Germanium disulfide ges2  
689 CSe2 Carbon diselenide cse2  
690 SCTe Carbon sulfide Telluride scte  
691 NO2 Nitrogen dioxide no2  
692 NO2- Nitrogen dioxide anion no2-  
693 NO2+ Nitrogen dioxide cation no2+  
694 PO2 Phosphorus dioxide po2  
695 PO2- Phosphorus dioxide anion po2-  
696 PO2+ Phosphorus dioxide cation po2+  
697 AsO2 Aresenic dioxide aso2  
698 O3 Ozone o3  
699 O3- Ozone anion o3-  
700 O3+ Ozone cation o3+  
701 SO2- Sulfur dioxide anion so2-  
702 SO2+ Sulfur dioxide cation so2+  
703 SSO Disulfur monoxide sso  
704 S3- Sulfur trimer anion s3-  
705 S3+ Sulfur trimer cation s3+  
706 SeO2+ Selenium dioxide cation seo2+  
707 TeO2 Tellurium Dioxide teo2  
708 CS2H+ Carbon disulfide, protonated cs2h+  
709 HCNO fulminic acid hcno  
710 HNCO Isocyanic acid hnco  
711 HOCN cyanic acid hocn  
712 HCO2- formate anion hco2-  
713 HNNO nitrosoazane hnno  
714 HNNO+ Nitrous oxide, N-protonated hnno+  
715 NNOH+ Nitrous Oxide, O-protonated nnoh+  
716 HCOO formate neutral radical hcoo  
717 HOCO+ Hydrocarboxyl cation hoco+  
718 HNO2 Nitrous acid hno2  
719 HNO2+ nitrous acid cation hno2+  
720 SO2H+ protonated sulfur dioxide so2h+  
721 CH2CO+ Ketene cation ch2co+  
722 HCCOH ethynol hccoh  
723 Mg(OH)2 Magnesium dihydroxide h2mgo2  
724 NH2NO Nitrosamide nh2no  
725 CH2O2 Dioxirane diox  
726 H2O3 Hydrogen trioxide h2o3  
727 HSSSH trisulfane hsssh  
728 NaOCH3 Sodium methoxide naoch3  
729 CH2BOH hydroxy(methylene)borane ch2boh  
730 BH3CO Borane carbonyl bh3co  
731 CH3BO Borane, methyloxo- ch3bo  
732 CH2CHO Vinyloxy radical ch2cho  
733 CH3CO Acetyl radical ch3co  
734 CH3CO- Acetyl anion ch3co-  
735 CH3CO+ acetyl cation ch3co+  
736 CH2NOH formaldoxime ch2noh  
737 CH3NO nitrosomethane ch3no  
738 CHONH2 formamide formamide  
739 CNOH3 1,2-oxaziridine cnoh3  
740 CH2OOH CH2OOH radical ch2ooh  
741 CH3OO methylperoxy radical ch3oo  
742 CH3OO- methylperoxy anion ch3oo-  
743 CH3OO+ methylperoxy cation ch3oo+  
744 CH2CHOH ethenol ch2choh  
745 H2CONH2+ protonated formamide h2conh2+  
746 NH3CHO+ Formamide, N-Protonated nh3cho+  
747 CH2(OH)2 methanediol ch2o2h2  
748 CH3OOH Methyl peroxide ch3ooh  
749 H2OH2CO water formaldehyde dimer h2oh2co  
750 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
751 CH3CH2O Ethoxy radical ethoxy  
752 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
753 CH3CHOH+ acetaldehyde, protonated ch3choh+  
754 CH3OCH2 methoxymethyl radical ch3och2  
755 CH3CH2OH Ethanol etoh  
756 CH3OCH3 Dimethyl ether meome  
757 CH3SCH3 Dimethyl sulfide mesme  
758 CH3SeCH3 dimethylselenide dmse  
759 CH3OHH2O methanol water dimer ch3ohh2o  
760 H2OCH3OH water methanol dimer h2och3oh  
761 CuF2 Copper difluoride cuf2  
762 ZnF2 Zinc difluoride znf2  
763 FCN Cyanogen fluoride fcn  
764 ClCN chlorocyanogen clcn  
765 ICN Cyanogen iodide icn  
766 FBO Boron monofluoride monoxide fbo  
767 BeF2 Beryllium fluoride bef2  
768 MgF2 Magnesium fluoride mgf2  
769 BeCl2 Beryllium chloride becl2  
770 MgCl2 Magnesium dichloride mgcl2  
771 CaCl2 Calcium Chloride cacl2  
772 ZnCl2 Zinc dichloride zncl2  
773 BeBr2 Beryllium bromide bebr2  
774 CaF2 Calcium difluoride caf2  
775 FCO Carbonyl fluoride fco  
776 FCO+ Carbonyl fluoride cation fco+  
777 ClCO carbonyl monochloride clco  
778 FNO Nitrosyl fluoride fno  
779 ClNO Nitrosyl chloride clno  
780 FNS Thionitrosyl fluoride fns  
781 BrNO Nitrosyl bromide brno  
782 INO Nitrosyl iodide ino  
783 CF2- Difluoromethylene anion cf2-  
784 CF2+ Difluoromethylene cation cf2+  
785 SiF2 Silicon difluoride sif2  
786 SiF2+ Silicon difluoride cation sif2+  
787 CCl2 dichloromethylene ccl2  
788 CCl2- dichloromethylene anion ccl2-  
789 CCl2+ dichloromethylene cation ccl2+  
790 SiCl2 Dichlorosilylene sicl2  
791 GeF2 Germanium difluoride gef2  
792 GeCl2 Germanium dichloride gecl2  
793 FOO Dioxygen monofluoride radical foo  
794 FOO+ Fluorine dioxide cation foo+  
795 ClOO chloroperoxy radical cloo  
796 ClOO+ chloroperoxy cation cloo+  
797 OClO Chlorine dioxide oclo  
798 OClO+ Chlorine dioxide cation oclo+  
799 ClSO Sulfur chloride oxide clso  
800 ClS2 Sulfur chloride cls2  
801 OBrO Bromine dioxide radical obro  
802 NF2 Difluoroamino radical nf2  
803 NF2+ Difluoroamino cation nf2+  
804 PF2+ Phosphorus difluoride cation pf2+  
805 F2O Difluorine monoxide f2o  
806 SF2- sulfur difluoride anion sf2-  
807 SF2+ sulfur difluoride cation sf2+  
808 Cl2O Dichlorine monoxide cl2o  
809 SCl2 Sulfur dichloride scl2  
810 SeF2 Selenium difluoride sef2  
811 BrOCl Bromine hypochlorite brocl  
812 SeCl2 Selenium Dichloride secl2  
813 SBr2 Sulfur dibromide sbr2  
814 SeBr2 Selenium dibromide sebr2  
815 BrOBr Bromine oxide brobr  
816 F3- trifluoride anion f3-  
817 Cl3- trichloride anion cl3-  
818 Br3- tribromide anion br3-  
819 I3- triiodide i3-  
820 HCCF Fluoroacetylene hccf  
821 HCCF+ fluoroacetylene cation hccf+  
822 HCCCl Chloroacetylene hcccl  
823 HFCO formyl fluoride hfco  
824 HFCO+ formyl fluoride cation hfco+  
825 COHCl Formyl chloride cohcl  
826 COHBr Formyl bromide cohbr  
827 BHF2 Difluoroborane bhf2  
828 BHCl2 Borane, dichloro- bhcl2  
829 CHCl2 dichloromethyl radical chcl2  
830 CHF2 difluoromethyl radical chf2  
831 HOClO Chlorous acid hoclo  
832 CH2F2 Methane, difluoro- ch2f2  
833 CH2FCl fluorochloromethane ch2fcl  
834 CH2BrF Methane, bromofluoro- ch2fbr  
835 CH2FI fluoroiodomethane ch2fi  
836 CH2ClI chloroiodomethane ch2cli  
837 CH2BrI bromoiodomethane ch2bri  
838 CH2I2 Diiodomethane ch2i2  
839 SiH2Cl2 dichlorosilane sih2cl2  
840 CH2CHF Ethene, fluoro- ch2chf  
841 CH2CHF+ fluoroethene cation ch2chf+  
842 C2H3Cl Ethene, chloro- ch2chcl  
843 C2H3Br vinyl bromide c2h3br  
844 C2H3I Vinyl iodide c2h3i  
845 CH3OCl methyl hypochlorite ch3ocl  
846 C2H5F fluoroethane c2h5f  
847 CH3CH2Cl Ethyl chloride c2h5cl  
848 CH3SiFH2 fluoromethylsilane ch3sifh2  
849 C2H5Br Ethyl bromide etbr  
850 C2H5I Ethyl iodide c2h5i  
851 KrF2 Krypton difluoride krf2  
852 XeF2 Xenon difluoride xef2  
853 B4H10 Tetraborane(10) b4h10  
854 C4+ Carbon tetramer cation c4+  
855 C4H2 Diacetylene c4h2  
856 C2H3CCH 1-Buten-3-yne c2h3cch  
857 C4H4 cyclobutadiene cbd  
858 H2CCCCH2 Butatriene h2cccch2  
859 C4H6 1-Methylcyclopropene c3100047  
860 C4H6 Cyclobutene c822355  
861 C4H6 Methylenecyclopropane c6142730  
862 CH2CCHCH3 1,2-Butadiene butad12  
863 CH2CHCHCH2 1,3-Butadiene c106990  
864 CH3CCCH3 2-Butyne c503173  
865 CHCCH2CH3 1-Butyne c107006  
866 CH3CHCHCH2 methylallyl radical c4h7  
867 C4H8 methylcyclopropane mcp  
868 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
869 CH3CHCHCH3 2-Butene, (E)- bute2e  
870 CH3CHCHCH3 2-Butene, (Z)- bute2z  
871 B(CH3)3 trimethylborane bme3  
872 Al(CH3)3 trimethyl aluminum tma  
873 C(CH3)3 Tert-butyl radical tbutyl  
874 CH2CH(CH3)2 Isobutyl radical isobutyl  
875 CH3CHCH2CH3 2-Butyl radical butyl2  
876 CH3CH(CH3)CH3 Isobutane isobutane  
877 SiH(CH3)3 trimethylsilane trimsi  
878 Li3N trilithium nitride li3n  
879 C2N2 Cyanogen c2n2  
880 C2N2+ Cyanogen cation c2n2+  
881 P4 Phosphorus tetramer p4  
882 HCCCN Cyanoacetylene hcccn  
883 C3H3N acrylonitrile ch2chcn  
884 C3H3N+ acrylonitrile cation ch2chcn+  
885 CH3N3 methyl azide ch3n3  
886 NH2CCNH2 Diaminoacetylene daa  
887 NH2CH2CN Aminoacetonitrile aan  
888 CH3NHN2+ methyl azide, protonated ch3nhn2+  
889 C2H5CN ethyl cyanide c2h5cn  
890 CH5N3 Guanidine guanidine  
891 C4H6 Bicyclo[1.1.0]butane c157335  
892 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
893 CH6N3+ guanidinium ch6n3+  
894 C3H7N Cyclopropylamine cpram  
895 C3H7N Azetidine azet  
896 C4H8 cyclobutane cbutane  
897 C2H8N2 Ethylenediamine ethdiam  
898 CH3NHNHCH3 dimethyl hydrazine dmh  
899 CH3CH(NH2)CH3 2-Propanamine pram2  
900 N(CH3)3 Trimethylamine trimeam  
901 P(CH3)3 trimethylphosphine tmp  
902 As(CH3)3 trimethyl arsine tmas  
903 (CH3)3NH+ protonated trimethyl amine ptma  
904 C3H7NH3+ n-propylamine, protonated c3h7nh2  
905 Li2O2 dilithium dioxide li2o2  
906 Na2O2 disodium dioxide na2o2  
907 K2O2 dipotassium dioxide k2o2  
908 C3O Tricarbon monoxide c3o  
909 B2O2 Diboron dioxide b2o2  
910 CO3 Carbon trioxide co3  
911 CO3-- carbonate co3--  
912 NO3 Nitrogen trioxide no3  
913 NO3- nitrate anion no3-  
914 NO3+ nitrogen trioxide cation no3+  
915 SO3- Sulfur trioxide anion so3-  
916 SO3-- Sulfate dianion so3--  
917 SO3+ Sulfur trioxide cation so3+  
918 SeO3 selenium trioxide seo3  
919 TeO3 Tellurium trioxide teo3  
920 HCO3- bicarbonate anion hco3-  
921 HNO3 Nitric acid hno3  
922 HSO3 Hydroxysulfonyl radical hso3  
923 NH2NO2 nitramide nh2no2  
924 C2H2CO cyclopropenone c2h2co  
925 HCCCHO 2-propynal hcccho  
926 C2H2O2 Ethanedial c2h2o2  
927 C2H2O2+ Ethanedial cation c2h2o2+  
928 H2CO3 Carbonic acid h2co3  
929 H2CS3 thiocarbonic acid h2cs3  
930 H2NO3+ Nitric Acid, Protonated h2no3+  
931 H2SO3 Sulfurous acid h2so3  
932 C2H3NO Nitrosoethylene c2h3no  
933 CH3COO- acetate anion ch3coo-  
934 CH3ONO Methyl nitrite ch3ono  
935 NH2COOH Carbamic acid nh2cooh  
936 H3BO3 Boric acid h3bo3  
937 H3CO3+ carbonic acid, protonated h3co3+  
938 C3H4O 2-Propyn-1-ol c107197  
939 C3H4O allenol c9000071  
940 C3H4O Cyclopropanone cpone  
941 C3H4O Methylketene c6004440  
942 CH2CHCHO Acrolein c3h4o  
943 NH2CONH2 Urea urea  
944 NH2CONH2+ Urea cation urea+  
945 NH2CSNH2 Thiourea thiourea  
946 C2H4O2 1,3-dioxetane c2h4o2  
947 CH3COOH Acetic acid ch3cooh  
948 CH3OCHO methyl formate ch3ocho  
949 CHOCH2OH hydroxy acetaldehyde haa  
950 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
951 NH3COOH+ protonated Carbamic acid nh3cooh+  
952 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
953 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
954 HCOOHH2O Formic acid water dimer hcoohh2o  
955 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
956 CH3COCH2 Acetonyl radical ch3coch2  
957 CH3CHNOH Acetaldoxime acetaldoxime  
958 CH3CONH2 Acetamide acetamide  
959 HCONHCH3 N-methylformamide nmfa  
960 CH5N2O+ urea, N-protonated ch4n2o+  
961 H2NCOHNH2+ urea, protonated ureah+  
962 C2H5OO ethylperoxy radical c2h5oo  
963 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
964 C3H5OH Cyclopropanol cproh  
965 C3H6O 2-Propen-1-ol c107186  
966 C3H6O Acetone enol enol  
967 C3H6O Oxetane oxetane  
968 C3H6O Propylene oxide prox  
969 CH3COCH3 Acetone acetone  
970 CH3COCH3- acetone anion ch3coch3-  
971 C3H6S Thietane thietane  
972 C3H6S Thiirane, methyl- methiirane  
973 CH3CSCH3 Thioacetone ch3csch3  
974 C2H6O2 1,2-Ethanediol ethdiol  
975 CH3OOCH3 dimethylperoxide dmp  
976 CH3SOCH3 Dimethyl sulfoxide dmso  
977 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
978 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
979 CH3COHCH3+ acetone, protonated acetoneh+  
980 HOCH2CH2NH2 monoethanolamine mea  
981 C3H7OH 1-Propanol proh  
982 CH3CHOHCH3 Isopropyl alcohol isoproh  
983 CH3OC2H5 Ethane, methoxy- etome  
984 C3H7SH 1-Propanethiol prsh  
985 CH3CHSHCH3 2-Propanethiol isoprsh  
986 CH3SCH2CH3 Ethane, (methylthio)- etsme  
987 H2OCH3OCH3 water dimethylether dimer h2och3och3  
988 Na2F2 Sodium Fluoride Dimer na2f2  
989 Na2Cl2 Disodium dichloride na2cl2  
990 C2F2 difluoroacetylene c2f2  
991 C2Cl2 dichloroacetylene c2cl2  
992 C2Cl2+ dichloroacetylene cation c2cl2+  
993 FNO2 Nitryl fluoride fno2  
994 FONO Nitrosyl hypofluorite fono  
995 ClNO2 Nitryl chloride clno2  
996 ClONO chlorine nitrite clono  
997 BrONO Bromine nitrite brono  
998 N2F2 (Z)-Difluorodiazene n2f2_z  
999 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1000 CF2O Carbonic difluoride f2co  
1001 COFCl Carbonic chloride fluoride cofcl  
1002 CCl2O Phosgene cl2co  
1003 Cl2CS Thiophosgene cl2cs  
1004 COBr2 Carbonic dibromide cobr2  
1005 BF3- Borane, trifluoro- anion bf3-  
1006 BClF2 Chlorodifluoroborane bclf2  
1007 AlF2Cl Aluminum chloride difluoride alclf2  
1008 ScF3 Scandium trifluoride ScF3  
1009 AlFCl2 Aluminum dichloride fluoride alcl2f  
1010 GaF3 Gallium trifluoride gaf3  
1011 AlCl3 Aluminum trichloride alcl3  
1012 GaCl3 Gallium trichloride gacl3  
1013 BBr3 Boron tribromide bbr3  
1014 AlBr3 Aluminum Bromide albr3  
1015 ClO3 Chlorine trioxide clo3  
1016 ClO3- chlorate anion clo3-  
1017 BrO3- Bromate anion bro3-  
1018 CF3 Trifluoromethyl radical cf3  
1019 CF3- Trifluoromethyl anion cf3-  
1020 CF3+ Trifluoromethyl cation cf3+  
1021 SiF3 Silicon trifluoride radical sif3  
1022 SiF3+ Silicon trifluoride cation sif3+  
1023 CCl3 Trichloromethyl radical ccl3  
1024 CCl3- Trichloromethyl anion ccl3-  
1025 CCl3+ Trichloromethyl cation ccl3+  
1026 SiCl3 trichlorosilyl radical sicl3  
1027 SiCl3+ trichlorosilyl cation sicl3+  
1028 FOOF Perfluoroperoxide foof  
1029 F2SO Thionyl Fluoride f2so  
1030 ClOOCl Dichlorine dioxide cloocl  
1031 FSSF Difluorodisulfane fssf  
1032 S2F2 Thio-thionyl fluoride s2f2  
1033 SOCl2 thionyl chloride socl2  
1034 SeOCl2 selenium oxychloride seocl2  
1035 NF3 Nitrogen trifluoride nf3  
1036 NF3- Nitrogen trifluoride anion nf3-  
1037 NF3+ Nitrogen trifluoride cation nf3+  
1038 PF3 Phosphorus trifluoride pf3  
1039 AsF3 Arsenic trifluoride asf3  
1040 PCl3 Phosphorus trichloride pcl3  
1041 SbF3 Antimony Trifluoride sbf3  
1042 AsCl3 Arsenous trichloride ascl3  
1043 SbCl3 Antimony Trichloride sbcl3  
1044 PBr3 Phosphorus tribromide pbr3  
1045 AsBr3 Arsenic tribromide asbr3  
1046 NI3 Nitrogen triiodide ni3  
1047 PI3 Phosphorus triiodide pi3  
1048 ClSSCl Disulfur dichloride s2cl2  
1049 SF3 Sulfur trifluoride sf3  
1050 ClF3 Chlorine trifluoride clf3  
1051 BrF3 Bromine trifluoride brf3  
1052 IF3 iodone trifluoride if3  
1053 CHF3 Methane, trifluoro- chf3  
1054 CHF2Cl difluorochloromethane chf2cl  
1055 CHFCl2 fluorodichloromethane chfcl2  
1056 CDCl3 trichloromethane-d cdcl3  
1057 CHCl3 Chloroform chcl3  
1058 SiHCl3 Trichlorosilane sihcl3  
1059 CHFClBr fluorochlorobromomethane chfclbr  
1060 CHBrCl2 Methane, bromodichloro- chbrcl2  
1061 CHF2I difluoroiodomethane chf2i  
1062 CHFClI fluorochloroiodomethane chfcli  
1063 CHCl2I dichloroiodomethane chcl2i  
1064 CHClBr2 Methane, dibromochloro- chclbr2  
1065 CHBr3 bromoform chbr3  
1066 CHI3 Iodoform chi3  
1067 NF3H+ protonated nitrogen trifluoride nf3h+  
1068 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1069 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1070 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1071 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1072 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1073 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1074 C2H2Br2 1,1-dibromoethene c2h2br2  
1075 CH2FCHO Fluoroacetaldehyde ch2fcho  
1076 CH3COF Acetyl fluoride ch3cof  
1077 CH2ClCHO chloroacetaldehyde ch2clcho  
1078 CH3COCl Acetyl Chloride ch3cocl  
1079 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1080 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1081 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1082 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1083 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1084 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1085 CH2CFCH3 2-fluoropropene 2fpro  
1086 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1087 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1088 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1089 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1090 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1091 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1092 CH3CHClCH3 Propane, 2-chloro- prcl2  
1093 CH3CH2CH2Br n-propyl bromide prbr  
1094 CH3CHBrCH3 i-propyl bromide iprbr  
1095 C3H9O+ trimethyl oxonium cation c3h9o+  
1096 C5H5 cyclopentadienyl radical c5h5  
1097 C5H5- cylopentadienyl anion c5h5-  
1098 C5H6 1,3-Cyclopentadiene c542927  
1099 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1100 C5H6 3-Penten-1-yne, (E)- c2004695  
1101 C5H6 3-Penten-1-yne, (Z)- c1574409  
1102 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1103 C5H6 Cyclopropylacetylene c6746947  
1104 C5H7 1,3-pentadienyl radical pdyl  
1105 C5H7 cyclopentenyl radical cpyl  
1106 C5H8 1,2-Butadiene, 3-methyl- c598254  
1107 C5H8 1,2-Pentadiene c591957  
1108 C5H8 1,3-Butadiene, 2-methyl- c78795  
1109 C5H8 1,3-Pentadiene, (E)- c2004708  
1110 C5H8 1,3-Pentadiene, (Z)- c1574410  
1111 C5H8 1,4-Pentadiene c591935  
1112 C5H8 1-pentyne a1pentyne  
1113 C5H8 2,3-Pentadiene c591968  
1114 C5H8 Cyclobutane, methylene- c1120565  
1115 C5H8 Cyclopentene c142290  
1116 C5H8 Ethenylcyclopropane c693867  
1117 CH3CCCH2CH3 2-Pentyne 2pentyne  
1118 C5H10 1-Butene, 2-methyl- c563462  
1119 C5H10 2-Butene, 2-methyl- c513359  
1120 C5H10 2-Pentene, (E)- c646048  
1121 C5H10 2-Pentene, (Z)- c627203  
1122 C5H10 Cyclopentane c287923  
1123 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1124 CH2CHCH2CH2CH3 1-pentene pentene  
1125 C5H11 2-Methylbut-2-yl radical c4348350  
1126 C5H12 Butane, 2-methyl- buta2  
1127 C5H12 Pentane pentane  
1128 C5H12 Propane, 2,2-dimethyl- neopentane  
1129 Si(CH3)4 tetramethylsilane tms  
1130 N2O3 Dinitrogen trioxide n2o3  
1131 C3H2N2 Malononitrile c3h2n2  
1132 CH2N4 1H-Tetrazole 1htz  
1133 C3H3N2 imidazolyl radical im  
1134 C3H3N2- imidizolyl anion im-  
1135 C2H3N3 1H-1,2,4-Triazole c288880  
1136 C4H4N pyrrolide radical c4h4n  
1137 C4H4N- pyrrolide anion c4h4n-  
1138 C3H4N2 1H-Imidazole 1himidaz  
1139 C3H4N2 1H-Pyrazole 1hpyraz  
1140 C3H4N2 4H-Imidazole imid4h  
1141 C4H5N (E)-2-Butenenitrile c627269  
1142 C4H5N (Z)-2-Butenenitrile c1190767  
1143 C4H5N 2H-pyrrole pyrrole2  
1144 C4H5N 3H-pyrrole pyrrole3  
1145 C4H5N Cyclopropanecarbonitrile c5500210  
1146 CH2CHCH2CN Allylcyanide ch2chch2cn  
1147 C4H6N+ pyrrole, alpha-protonated appyr  
1148 C4H6N+ pyrrole, beta-protonated bppyr  
1149 C4H6N+ pyrrole, protonated ppyr  
1150 C3H6N2 3-Aminopropionitrile c151188  
1151 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1152 CH3CH2CH2CN Butanenitrile c109740  
1153 C5H8 Bicyclo[2.1.0]pentane c185944  
1154 C5H8 Spiropentane c157404  
1155 C4H9N Cyclobutylamine cbam  
1156 C4H9N Pyrrolidine pyrrolidine  
1157 C3H10N2 1,2-Diaminopropane diampr12  
1158 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1159 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1160 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1161 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1162 NH(C2H5)2 diethylamine dea  
1163 NC4H12+ tetramethyl ammonium cation nc4h12+  
1164 C3O2+ Carbon suboxide cation c3o2+  
1165 B2O3 diboron trioxide b2o3  
1166 MgCO3 Magnesium Carbonate mgco3  
1167 BeCO3 Beryllium Carbonate beco3  
1168 CaCO3 Calcium Carbonate caco3  
1169 ONONO Nitrosyl nitrite onono  
1170 PO4--- phosphate po4---  
1171 SO4-- sulfate so4--  
1172 HOONO2 peroxy nitric acid hoono2  
1173 HSO4- bisulfate anion hso4-  
1174 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1175 C3H2O2 Propiolic acid c3h2o2  
1176 CHOCOOH oxo acetic acid oaa  
1177 H2SO4 Sulfuric acid h2so4  
1178 H2SeO4 Selenic acid h2seo4  
1179 C3H3NO Isoxazole isox  
1180 C3H3NO Oxazole oxazole  
1181 CH3C(O)OO acetyl peroxy radical ch3coo2  
1182 CH3NO3 Methyl nitrate ch3no3  
1183 H3PO4 Phosphoric Acid h3po4  
1184 C4H4O Furan furan  
1185 C4H4O+ Furan cation furan+  
1186 C4H4S Thiophene furans  
1187 C3H4O2 β–Propiolactone beta  
1188 C3H4O2 2-Propenoic acid propenoic2  
1189 C3H4O2 Methyl glyoxal megly  
1190 C3H4O2 propanedial propanedial  
1191 C3H4O2 propenalol propenalol  
1192 HOCHCCHOH allenediol aldiol  
1193 C2H4O3 1,2,3-trioxolane c2h4o3  
1194 C2H4O3 trioxolane124 triox  
1195 HOCH2COOH Hydroxyacetic acid hac  
1196 CH2CHCONH2 Acrylamide c79061  
1197 CH3OCH2CN Methoxyacetonitrile c1738369  
1198 CH5N3S Hydrazinecarbothioamide c79196  
1199 H2NCH2COOH Glycine glycine  
1200 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1201 C4H6O cis-2-butenal butenal2c  
1202 C4H6O Cyclobutanone cbutone  
1203 C4H6O Furan, 2,3-dihydro- furan23h  
1204 C4H6O Furan, 2,5-dihydro- furan25h  
1205 CH2CHOCHCH2 Vinyl ether vinylether  
1206 CHOCHCHCH3 2-Butenal butenal2  
1207 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1208 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1209 CH2CHSCHCH2 Divinyl sulfide divis  
1210 C2H6N2O Urea, methyl- c598505  
1211 C3H6O2 1,3-Dioxolane dioxolane  
1212 CH3CH2COOH Propanoic Acid propanoic  
1213 CH3COOCH3 methyl acetate aame  
1214 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1215 C3H7NO dimethylformamide dmf  
1216 C3H7NO Propanamide propanam  
1217 C2H3OC2H5 Ethene, ethoxy- c109922  
1218 C4H8O Cyclobutanol c2919235  
1219 C4H8O Furan, tetrahydro- thf  
1220 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1221 CH3COCH2CH3 2-Butanone buta2one  
1222 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1223 CHOCH2CH2CH3 Butanal butanal  
1224 C3H8O2 1,3-Propanediol c504632  
1225 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1226 C3H8O2 Methane, dimethoxy- c109875  
1227 C3H8O2 Propylene glycol c57556  
1228 C3H8S2 1,3-Propanedithiol c109808  
1229 C4H10O 1-Butanol butanol1  
1230 C4H10O 1-Propanol, 2-methyl- c78831  
1231 C4H10O 2-Butanol, (.+/-.)- butanol2  
1232 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1233 C4H10O Ethoxy ethane etoet  
1234 C4H10O Propane, 2-methoxy- c598538  
1235 C4H10O+ 1-Butanol cation butanol1+  
1236 C2H5SC2H5 Diethyl sulfide etset  
1237 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1238 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1239 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1240 FNO3 Fluorine nitrate fno3  
1241 ClONO2 Chlorine nitrate clono2  
1242 BrONO2 Bromine nitrate brono2  
1243 TiCl4 Titanium tetrachloride ticl4  
1244 ClO4- perchlorate anion clo4-  
1245 BF4- tetrafluoroboron anion bf4-  
1246 ClFO3 Perchloryl fluoride clfo3  
1247 SO2F2 Sulfuryl fluoride so2f2  
1248 SO2Cl2 Sulfuryl chloride so2cl2  
1249 F3NO Nitrogen trifluoride oxide f3no  
1250 F3PO Phosphoryl fluoride pf3o  
1251 Cl3PO Phosphoryl chloride pcl3o  
1252 CF4 Carbon tetrafluoride cf4  
1253 CF3Cl Methane, chlorotrifluoro- cf3cl  
1254 SiF4 Silicon tetrafluoride sif4  
1255 CF2Cl2 difluorodichloromethane cf2cl2  
1256 TiF4 Titanium tetrafluoride tif4  
1257 CFCl3 Trichloromonofluoromethane cfcl3  
1258 GeF4 Germanium tetrafluoride gef4  
1259 CCl4 Carbon tetrachloride ccl4  
1260 CCl4+ Carbon tetrachloride cation ccl4+  
1261 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1262 SiCl4 Silane, tetrachloro- sicl4  
1263 CF3I trifluoroiodomethane cf3i  
1264 CBrCl3 Methane, bromotrichloro- cbrcl3  
1265 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1266 GeCl4 Germanium Tetrachloride gecl4  
1267 CCl3I trichloroiodomethane ccl3i  
1268 CFBr3 fluorotribromomethane cfbr3  
1269 CFClBrI fluorochlorobromoiodomethane cfclbri  
1270 CBr3Cl tribromochloromethane cbr3cl  
1271 CF2I2 difluorodiiodomethane cf2i2  
1272 CBr4 Carbon tetrabromide cbr4  
1273 CCl2I2 dichlorodiiodomethane ccl2i2  
1274 SiBr4 Silicon tetrabromide sibr4  
1275 CBr3I tribromoiododmethane cbr3i  
1276 GeBr4 Germanium tetrabromide gebr4  
1277 CI4 tetraiodomethane ci4  
1278 SiI4 silicon tetraiodide sii4  
1279 ClOF3 Chlorine trifluoride oxide clof3  
1280 SF4 Sulfur tetrafluoride sf4  
1281 SCl4 Sulfur tetrachloride scl4  
1282 C2HF3 Trifluoroethylene c2hf3  
1283 C2HF3+ Trifluoroethylene cation c2hf3+  
1284 CHClCCl2 Trichloroethylene chclccl2  
1285 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1286 HClO4 perchloric acid hclo4  
1287 HSO3F Fluorosulfonic acid hso3f  
1288 CF3OH trifluoromethanol cf3oh  
1289 CHClCCHCl 1,3-dichloroallene chclcchcl  
1290 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1291 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1292 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1293 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1294 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1295 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1296 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1297 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1298 NH3BCl3 Amminetrichloroboron nh3bcl3  
1299 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1300 C3H5ClO Oxirane, (chloromethyl)- c106898  
1301 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1302 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1303 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1304 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1305 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1306 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1307 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1308 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1309 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1310 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1311 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1312 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1313 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1314 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1315 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1316 C4H9F 1-fluorobutane butaf1  
1317 CH3CHFCH2CH3 2-fluorobutane butaf2  
1318 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1319 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1320 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1321 XeF4 Xenon tetrafluoride xef4  
1322 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1323 NH3BF3 Amminetrifluoroboron nh3bf3  
1324 C6H2 hexatriyne c6h2  
1325 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1326 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1327 C6H4 Benzyne benzyne  
1328 C6H5 phenyl phenyl  
1329 C6H5- phenyl anion phenyl-  
1330 C6H6 2,4-Hexadiyne hexadiyne  
1331 C6H6 3,4-Dimethylenecyclobutene cb34m  
1332 C6H6 Benzene benzene  
1333 C6H6 Hexa-1,5-diene-3-yne hdy153  
1334 C6H6 Trimethylenecycopropane tmcp  
1335 C6H6+ Benzene cation c6h6+  
1336 C6H7+ benzene, protonated c6h7+  
1337 C6H8 (E)-hexa-1,3,5-triene c821078  
1338 C6H8 (E)-hexa-2,3,4-triene c59660650  
1339 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1340 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1341 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1342 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1343 C6H8 3-Methylenecyclopentene c930267  
1344 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1345 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1346 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1347 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1348 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1349 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1350 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1351 C6H10 1,5-Hexadiene c592427  
1352 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1353 C6H10 1-Hexyne hexyne1  
1354 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1355 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1356 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1357 C6H10 2-Hexyne c764352  
1358 C6H10 3-Hexyne hexyne3  
1359 C6H10 cyclohexene cyclohexene  
1360 C6H10 Cyclopentene, 1-methyl- c693890  
1361 C6H10 Cyclopentene, 3-methyl- c1120623  
1362 C6H10 Cyclopentene, 4-methyl- c1759815  
1363 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1364 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1365 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1366 C6H12 (E)-2-Hexene e2hexene  
1367 C6H12 (E)-3-methylpent-2-ene c616126  
1368 C6H12 (E)-hex-3-ene e3hexene  
1369 C6H12 (Z)-3-methylpent-2-ene c922623  
1370 C6H12 (Z)-hex-2-ene z2hexene  
1371 C6H12 (Z)-hex-3-ene z3hexene  
1372 C6H12 2,3-dimethylbut-1-ene c563780  
1373 C6H12 2,3-dimethyl-but-2-ene tmeet  
1374 C6H12 3-methylenepentane c760214  
1375 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1376 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1377 C6H12 Cyclohexane cyclohexane  
1378 C6H12 Cyclopentane, methyl- c96377  
1379 C6H12 Ethylcyclobutane c4806615  
1380 C6H12 hex-1-ene hexene1  
1381 C6H14 Butane, 2,2-dimethyl- buta22  
1382 C6H14 Butane, 2,3-dimethyl- buta23  
1383 C6H14 Hexane hexane  
1384 C6H14 Pentane, 2-methyl- penta2  
1385 C6H14 Pentane, 3-methyl- penta3  
1386 C4N2 2-Butynedinitrile c4n2  
1387 C4H2N2 Fumaronitrile c4h2n2  
1388 C2H2N4 sym-tetrazine ttz  
1389 C3H3N3 1,3,5-Triazine triazine135  
1390 CH3N5 5-Aminotetrazole c4418615  
1391 C4H4N2 1,3-Diazine diazine13  
1392 C4H4N2 Pyrazine pyrazine  
1393 C4H4N2 Pyridazine pyridazine  
1394 C4H4N2 Succinonitrile c110612  
1395 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1396 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1397 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1398 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1399 C5H5N E-2,4-pentadienenitrile bdcn  
1400 C5H5N Pyridine pyridine  
1401 B3N3H6 borazine borazine  
1402 C6H6 Fulvene fulvene  
1403 C5H6N+ Pyridinium c5h6n  
1404 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1405 C5H7N (E)-2-Pentenenitrile c26294984  
1406 C5H7N (E)-3-Pentenenitrile c16529661  
1407 C5H7N (Z)-2-Pentenenitrile c25899507  
1408 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1409 C5H7N Cyclobutanecarbonitrile c4426113  
1410 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1411 C5H9N Butanenitrile, 2-methyl- c18936179  
1412 C5H9N Pentanenitrile c110598  
1413 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1414 C6H10 Bicyclo[3.1.0]hexane c285585  
1415 C5H11N Cyclopentanamine cypentam  
1416 C5H11N Piperidine piper  
1417 C4H12N2 1,2-Butanediamine c4426486  
1418 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1419 Li2CO3 Lithium Carbonate li2co3  
1420 Na2CO3 Sodium Carbonate na2co3  
1421 C2O4-- oxalate anion c2o4  
1422 MgSO4 Magnesium Sulfate mgso4  
1423 N2O4 Dinitrogen tetroxide n2o4  
1424 C3H2O3 vinylene carbonate vica  
1425 C2H2O4 Oxalic Acid oxalic  
1426 C2H3NO3 Oxamic acid oxamic  
1427 C4H4O2 2(5H)-Furanone furanone  
1428 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1429 C2H4N2O2 Oxalamide oxalamide  
1430 C2H4N2S2 Ethanedithioamide c79403  
1431 C2H4CO3 Ethylene carbonate etco3  
1432 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1433 C3H4S3 1,3-Dithiolane-2-thione c822388  
1434 C2H4O4 Formic acid dimer fadimer  
1435 C4H5NO 3-Methylisoxazole isox3m  
1436 C4H5NO Isoxazole, 5-methyl- c5765446  
1437 C4H5NS 4-Methylthiazole c693958  
1438 C2H5NO3 Nitric acid, ethyl ester c625581  
1439 C5H6O 2-methylfuran furan2m  
1440 C5H6O 3-Methylfuran furan3m  
1441 C5H6S Thiophene, 2-methyl- c554143  
1442 C5H6S Thiophene, 3-methyl- c616444  
1443 C4H6O2 2,3-Butanedione c431038  
1444 C4H6O2 2-Propenoic acid, methyl ester c96333  
1445 C4H6O2 Crotonic Acid crot  
1446 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1447 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1448 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1449 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1450 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1451 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1452 C4H6OS Vinyl sulfoxide c1115157  
1453 CH6N4S Carbonothioic dihydrazide thiacarb  
1454 C2H6N2O2 (E)-Azodioxymethane c37765154  
1455 C2H6N2O2 Dimethylnitroamine c4164287  
1456 C3H6S3 1,3,5-Trithiane c3h6s3  
1457 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1458 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1459 C4H7NO 2-Pyrrolidinone c616455  
1460 C4H7NO Ethoxyacetonitrile etoaccn  
1461 C4H7NO Methacrylamide c79390  
1462 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1463 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1464 C3H7ONO Propyl nitrite prono  
1465 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1466 CH3CH(NH2)COOH Alanine alanine  
1467 CH3NHCH2COOH Sarcosine sarcosine  
1468 NH2CH2CH2COOH β–alanine betaalanine  
1469 NH2COOC2H5 Urethane urethane  
1470 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1471 C5H8O Cyclopentanone c120923  
1472 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1473 C5H8O Methyl cyclopropyl ketone c765435  
1474 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1475 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1476 NH2CONHC2H5 Urea, ethyl- c625525  
1477 C4H8O2 1,3-Dioxane dioxan13  
1478 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1479 C4H8O2 1,4-Dioxane dioxan14  
1480 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1481 C4H8O2 Ethyl acetate c141786  
1482 C4H8OS s-Ethyl thioacetate c625605  
1483 C3H8O3 1,2,3-Propanetriol glycerin  
1484 C3H8O2S (Methylsulfonyl)ethane c594434  
1485 C4H9NO Butanamide c541355  
1486 C4H9NO Propanamide, 2-methyl- c563837  
1487 C5H10O 2-Butanone, 3-methyl- c563804  
1488 C5H10O 2H-Pyran, tetrahydro- c142687  
1489 C5H10O 2-methylbutyraldehyde 2meba  
1490 C5H10O 2-Pentanone mpk  
1491 C5H10O Cyclopentanol c96413  
1492 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1493 C5H10O Pentanal pal  
1494 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1495 C5H10S 3-Ethylthio-1-propene c5296628  
1496 C5H10S Cyclopentanethiol c1679078  
1497 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1498 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1499 C4H10O2 1,1-Dimethoxyethane c534156  
1500 C4H10O2 1,3-Butanediol budiol13  
1501 C4H10O2 1,4-Butanediol budiol14  
1502 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1503 C4H10OS Diethyl sulfoxide c70291  
1504 C4H10S2 1,4-Butanedithiol budisl14  
1505 C4H11NO Diethylhydroxylamine c3710847  
1506 C5H12O 1-Butanol, 2-methyl- c137326  
1507 C5H12O 1-Butanol, 3-methyl- c123513  
1508 C5H12O 1-Pentanol pentanol1  
1509 C5H12O 2-Butanol, 3-methyl- c598754  
1510 C5H12O 2-Pentanol peol2  
1511 C5H12O 3-Pentanol pentan3ol  
1512 C5H12O Butane, 1-methoxy- meobu  
1513 C5H12O Propane, 1-ethoxy- proet  
1514 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1515 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1516 C5H12S 1-Butanethiol, 3-methyl- c541311  
1517 C5H12S 1-Pentanethiol c110667  
1518 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1519 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1520 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1521 C5H12S Butane, 1-(methylthio)- c628295  
1522 C5H12S Ethyl propyl sulfide c4110503  
1523 C5H12S Propane, 2-(ethylthio)- c5145993  
1524 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1525 ClCOClCO Oxalyl chloride oxcl  
1526 CF3CN Acetonitrile, trifluoro- cf3cn  
1527 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1528 B2F4 Diboron tetrafluoride b2f4  
1529 B2Cl4 Diboron tetrachloride b2cl4  
1530 C2F4 Tetrafluoroethylene c2f4  
1531 C2F4+ Tetrafluoroethylene cation c2f4+  
1532 CF2CCl2 difluorodichloroethylene cf2ccl2  
1533 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1534 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1535 C2FCl3 fluorotrichloroethene c2fcl3  
1536 C2Cl4 Tetrachloroethylene c2cl4  
1537 CF3OF Trifluoromethylhypofluorite cf3of  
1538 SOF4 Sulfur tetrafluoride oxide sof4  
1539 PF5 Phosphorus pentafluoride pf5  
1540 AsF5 Arsenic pentafluoride asf5  
1541 PCl5 Phosphorus pentachloride pcl5  
1542 SF5 Sulfur pentafluoride sf5  
1543 SF5+ pentafluoro sulfur cation sf5+  
1544 SbCl5 Antimony pentachloride sbcl5  
1545 BrF5 bromine pentafluoride brf5  
1546 ClF5 chlorinepentafluoride clf5  
1547 IF5 pentafluoroiodine if5  
1548 CF3CHO trifluoroacetaldehyde cf3cho  
1549 CCl3CHO trichloroacetaldehyde ccl3cho  
1550 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1551 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1552 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1553 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1554 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1555 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1556 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1557 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1558 CF3COOH trifluoroacetic acid cf3cooh  
1559 C4H3ClO Furan, 2-chloro fur2cl  
1560 C4H3ClO Furan,3-chloro fur3cl  
1561 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1562 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1563 C4H8Cl2 1,4-Dichlorobutane c110565  
1564 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1565 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1566 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1567 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1568 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1569 C5H11Cl Pentane, 1-chloro- pencl1  
1570 C4H8O2 Butanoic acid bua  
1571 C6H5CH2 benzyl radical benzyl  
1572 C6H5CH3 toluene toluene  
1573 C7H8 cycloheptatriene cht  
1574 C7H8 Norbornadiene norbor  
1575 C7H8 Quadricyclane qucy  
1576 C7H12 Norbornane nor  
1577 C7H14 cycloheptane c7h14  
1578 C7H16 2-methylhexane 2mhex  
1579 C7H16 3-methylhexane hex3m  
1580 C7H16 heptane heptane  
1581 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1582 C6H7N 2-Methylpyridine mp  
1583 C6H5NH2 aniline aniline  
1584 C6H13N 2-Methylpiperidine pip2m  
1585 C6H13N cyclohexanamine cham  
1586 C6H15N triethylamine tea  
1587 N2O5 Dinitrogen pentoxide n2o5  
1588 C4H2O3 Maleic Anhydride malan  
1589 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1590 C5H4O2 furfural furfural  
1591 C6H5O phenoxy radical phenoxy  
1592 C5H5NO 2(1H)-Pyridinone c72762006  
1593 C5H5NO 2(3H)-Pyridinone c9000048  
1594 C5H5NO 2(5H)-Pyridinone c9000037  
1595 C5H5NO 2-Pyridinol c109104  
1596 C5H5NO 3(2H)-Pyridinone c9000004  
1597 C5H5NO 3(4H)-Pyridinone c9000026  
1598 C5H5NO 3(6H)-Pyridinone c9000015  
1599 C5H5NO 3-Pyridinol c109002  
1600 C5H5NO 4(1H)-Pryidinone c9000060  
1601 C5H5NO 4(3H)-Pryidinone c9000059  
1602 C5H5NO 4-Pyridinol c626642  
1603 C6H5OH phenol phenol  
1604 C6H6O 2,4-Cyclohexadienone c24599573  
1605 C6H6O 2,5-Cyclohexadienone c5664335  
1606 C6H5SH Benzenethiol phsh  
1607 HO2CCHNH2CH2OH Serine serine  
1608 C5H8O2 Acetylacetone acac  
1609 C4H8O2S Sulfolane sulfolane  
1610 C7H10 Norbornene norbornene  
1611 CH(C2H3)3 trivinyl methane tvm  
1612 C6H10O cyclohexanone chexo  
1613 C6H12O hexanal c6h12o  
1614 C6H12O Oxepane oxepane  
1615 C3H7OC3H7 di-n-propyl ether propr  
1616 CF3COO- trifluoro acetate anion cf3coo-  
1617 CF3COF trifluoroacetyl fluoride cf3cof  
1618 CF3COCl trifluoroacetyl chloride cf3cocl  
1619 PF6 Hexafluorophosphate neutral pf6  
1620 PF6- Hexafluorophosphate ion pf6-  
1621 SeF6 Selenium hexafluoride sef6  
1622 SF5Cl sulfur chloropentafluoride sf5cl  
1623 CF3CHF2 pentafluoroethane cf3chf2  
1624 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1625 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1626 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1627 CCl3CHCl2 pentachloroethane ccl3chcl2  
1628 C6H5F Fluorobenzene bzf  
1629 C6H5Cl chlorobenzene bzcl  
1630 C6H5Br bromobenzene bzbr  
1631 C8H6 Calicene calicene  
1632 C6H5CCH phenylacetylene phac  
1633 C8H6 benzocyclobutadiene bcbd  
1634 C8H6 Pentalene pentalene  
1635 C6H5CHCH2 Styrene styrene  
1636 C8H8 cubane cubane  
1637 C8H8 cyclooctatetraene cot  
1638 C6H5CH2CH3 Ethylbenzene etbz  
1639 CH3C6H4CH3 meta-xylene mxylene  
1640 CH3C6H4CH3 paraxylene pxylene  
1641 C8H14 Bicyclo[2.2.2]octane bico222  
1642 C8H16 cyclooctane cyclooct  
1643 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1644 C8H18 Octane c8h18  
1645 C6H5CN phenyl cyanide phcn  
1646 C6H12N2 Triethylenediamine ted  
1647 C4O4-- squarate dianion c4o4--  
1648 S8 Octasulfur s8  
1649 C6H4O2 parabenzoquinone pbq  
1650 C4H4N2O2 Uracil uracil  
1651 C6H5CHO benzaldehyde benzal  
1652 C6H5OCH3 Anisole anisole  
1653 C5H9NO2 Proline proline  
1654 C6H12O2 Methyl pivalate c598981  
1655 C6H12O2 Hexanoic acid hexa  
1656 C4F4 tetrafluorcyclobutadiene c4f4  
1657 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1658 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1659 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1660 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1661 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1662 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1663 C2F6 hexafluoroethane c2f6  
1664 C2Cl6 hexachloroethane c2cl6  
1665 IF7 Iodine heptafluoride if7  
1666 C6H4F2 metadifluorobenzene mdfb  
1667 C6H4F2 orthodifluorobenzene odfb  
1668 C6H4Cl2 1,2-dichlorobenzene dcb12  
1669 C6H4Cl2 1,3-dichlorobenzene dcb13  
1670 C9H8 Indene indene  
1671 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1672 C9H12 n-propyl benzene prbz  
1673 C9H20 Nonane nonane  
1674 C(CN)4 tetracyanomethane c5n4  
1675 C5H4N4 purine purine  
1676 C8H7N Indole indole  
1677 C3H3N3O3 cyanuric acid cyanuric  
1678 C6H5NO2 Nitrobenzene c6h5no2  
1679 C6H5COOH benzoic acid benzo  
1680 CH3COC6H5 acetophenone acph  
1681 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1682 C6H3F3 Benzene trifluoride 123 bzf3a  
1683 C8H18O 1-Octanol octanol  
1684 C10H8 Azulene azu  
1685 C10H8 naphthalene naph  
1686 C10H10 bullvalene bullv  
1687 C10H16 adamantane adamantane  
1688 C6N4 Tetracyanoethylene tcne  
1689 C6N4- tetracyanoethylene anion tcne-  
1690 C10H22 Decane decane  
1691 C4F6 perfluorobutadiene c4f6  
1692 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1693 C3F8 perfluoropropane c3f8  
1694 Fe(CO)5 Iron pentacarbonyl ipc  
1695 Fe(C5H5)2 ferrocene fecp2  
1696 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1697 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1698 C12H8 Acenaphthylene acenaph  
1699 C12H8 biphenylene biph  
1700 C12H10 biphenyl biphenyl  
1701 C12H10 Heptalene heptalene  
1702 C6H12O6 Inositol inositol  
1703 C6F6 hexafluorobenzene c6f6  
1704 S2F10 disulphur decafluoride s2f10  
1705 C13H10 Fluorene fluorene  
1706 C14H10 Anthracene anth  
1707 C14H10 Phenanthrene phenanthrene  
1708 C14H14 Bibenzyl bibenzyl  
1709 C12H10N2 azobenzene azobenzene  
1710 C6H5COC6H5 benzophenone benzophenone  
1711 C16H10 Pyrene pyrene  
1712 C18H12 Tetracene tetracene  
1713 C19H16 Triphenylmethane tpm  
1714 C24H12 Coronene coronene  
1715 C60 Buckminsterfullerene c60