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

List of which calculations are completed at B97D3 /STO-3G

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He+ Helium atom cation 2SKh
6 HeH+ Helium hydride cation 1ΣC∞v
7 He2+ helium diatomic cation 2ΣuD∞h
8 Li- Lithium atom anion 1SKh
9 K Potassium atom 2SKh
10 LiH+ lithium hydride cation 2ΣC∞v
11 KH Potassium hydride 1ΣC∞v
12 MgH magnesium monohydride 2ΣC∞v
13 ZnH+ Zinc, protonated   
14 BeH2+ Beryllium dihydride cation   
15 MgH2 magnesium dihydride 1ΣgD∞h
16 Al- Aluminum atom anion 3PKh
17 Al+ Aluminum atom cation 1SKh
18 Ga Gallium atom 2P 
19 Ga- Gallium atom anion 3POh
20 Ga+ Gallium atom cation 1S 
21 GaH Gallium monohydride 1ΣC∞v
22 GaH+ Gallium monohydride cation 2ΣC∞v
23 BH3+ boron trihydride cation 2B2C2v
24 BH3+ boron trihydride cation  C2v
25 AlH3- aluminum trihydride anion  C3v
26 BH4- borohydride anion 1A1Td
27 C Carbon atom 3P0Kh
28 Si- Silicon atom anion 4SKh
29 Ge Germanium atom 3PKh
30 Ge- Germanium anion 4SKh
31 Ge+ Germanium cation 2PKh
32 Sn Tin atom   
33 Sn+ Tin cation   
34 CH Methylidyne 2Π1/2C∞v
35 SiH Silylidyne 2ΠC∞v
36 GeH germylidene 2ΠC∞v
37 CH2- methylene anion 2B1C2v
38 GeH2 germylene 1A1C2v
39 CH3 Methyl radical 2A1D3h
40 SiH3 Silyl radical 2A1C3v
41 SiH3+ Silyl cation 1A1'D3h
42 GeH3 Germyl radical 2A1C3v
43 GeH3+ germyl cation 1A1'D3h
44 CH4 Methane 1A1Td
45 SiH2D2 silane-d2   
46 SiH4 Silane 1A1Td
47 GeH4 Germane 1A1Td
48 SnH4 Stannane   
49 SiH5+ Silane, protonated   
50 N Nitrogen atom 4SKh
51 P Phosphorus atom 4SKh
52 V+ Vanadium atom cation 5DKh
53 As Arsenic atomic 4SKh
54 As- Arsenic anion 3PKh
55 As+ Arsenic cation 3PKh
56 Sb Antimony atom   
57 PH phosphorus monohydride 3Σ-C∞v
58 AsH Arsenic monohydride 3ΣC∞v
59 SbH Antimony monohydride   
60 NH2 Amino radical 2B1C2v
61 NH2+ Amino cation 3B1C2v
62 NH2+ Amino cation 1A1C2v
63 NH3 Ammonia 1A1C3v
64 PH3 Phosphine 1A1C3v
65 PH3+ Phosphine cation 2A1C3v
66 AsH3 Arsine 1A1C3v
67 AsH3+ Arsine cation 2A1C3v
68 SbH3 Stibine   
69 AsH4+ Arsonium   
70 NH4 Ammonium radical   
71 NH4+ ammonium cation 1A1Td
72 PH4 Phosphoranyl radical   
73 PH4+ phosphonium cation   
74 O Oxygen atom 3SKh
75 S Sulfur atom   
76 Se Selenium atom 3PKh
77 Se- Selenium atom anion 2PKh
78 Se+ Selenium atom cation 4SKh
79 Te Tellurium atom   
80 Te+ Tellurium atom cation   
81 OH Hydroxyl radical 2ΠC∞v
82 OH- hydroxide anion 1ΣC∞v
83 OH+ hydoxyl cation 3ΣC∞v
84 HS- mercapto anion 1ΣC∞v
85 HS+ sulfur monohydride cation 3ΣC∞v
86 CrH Chromium hydride 6ΣC∞v
87 CrH+ Chromium hydride cation 5ΣC∞v
88 HSe Selenium monohydride 2ΠC∞v
89 HSe- selenium monohydride anion 1ΣC∞v
90 HSe+ selenium monohydride cation 3ΣC∞v
91 TeH Telluryl radical   
92 H2O Water 1A1C2v
93 H2O- water anion 2A1C2v
94 H2O- water anion 2A'Cs
95 H2O+ water cation 2B1C2v
96 HDO Water-d1 1A1C2v
97 H2S Hydrogen sulfide 1A1C2v
98 H2S+ Hydrogen sulfide cation 2B1C2v
99 H2Se Hydrogen selenide 1A1C2v
100 H2Se+ Hydrogen selenide cation 2B1C2v
101 H2Te Hydrogen Telluride   
102 H3O+ hydronium cation 1A1C3v
103 H3S+ Sulfonium cation 1A1C3v
104 H3Se+ Hydrogen Selenide, protonated 1A1C3v
105 F Fluorine atom 2PKh
106 F- Fluorine atom anion 1SKh
107 F+ Fluorine atom cation 3SKh
108 F+ Fluorine atom cation 1DKh
109 Cl Chlorine atom 2PKh
110 Cl- Chlorine atom anion 1SKh
111 Cl+ Chlorine atom cation 3PKh
112 Cl+ Chlorine atom cation 1DKh
113 Br Bromine atom 2PKh
114 Br- Bromine atom anion 1SKh
115 Br+ Bromine atom cation 3PKh
116 I- Iodine atom anion 1SKh
117 I+ Iodine atom cation 3PKh
118 HF Hydrogen fluoride 1ΣC∞v
119 HF- hydrogen fluoride anion 2ΣC∞v
120 HF+ hydrogen fluoride cation 2ΠC∞v
121 HCl Hydrogen chloride 1ΣC∞v
122 HCl- hydrogen chloride anion 2ΣC∞v
123 HCl+ hydrogen chloride cation 2ΠC∞v
124 HBr hydrogen bromide 1ΣC∞v
125 HBr- hydrogen bromide anion 2ΣC∞v
126 HBr+ hydrogen bromide cation 2ΠC∞v
127 H2Cl+ dihydrogen monochloride cation 1A1C2v
128 H2Br+ protonated hydrogen bromide 2A1C2v
129 Kr Krypton atom 1SKh
130 Kr+ Krypton cation 2PKh
131 Xe Xenon atom 1SKh
132 HeLi+ Helium Lithium cation   
133 ArH+ Argon hydride cation 1ΣC∞v
134 KrH+ Protonated Krypton 1ΣC∞v
135 XeH+ Xenon, protonated 1ΣC∞v
136 NaLi lithium sodium 1ΣC∞v
137 Na2 Sodium diatomic 1ΣgD∞h
138 Na2- sodium diatomic anion 2ΣuD∞h
139 Na2+ sodium diatomic cation 2ΣgD∞h
140 LiAl Lithium Aluminum   
141 NaAl Sodium aluminum 1ΣC∞v
142 HBBH Diborane(2) 3ΣGD∞h
143 B2H4 Diborane(4) D2d 1A1D2d
144 HBHHBH Diborane(4) C2V 1A1C2v
145 B2H6 Diborane 1AgD2h
146 B2H6+ Diborane cation   
147 CaC Calcium monocarbide   
148 BSi Boron silicide 4ΣC∞v
149 BSi Boron silicide 2ΣC∞v
150 GeC Germanium monocarbide 1ΣC∞v
151 SiGe Silicon Germanium   
152 C2H Ethynyl radical 2ΣC∞v
153 C2H- Ethynyl anion 1ΣC∞v
154 C2H2 Acetylene 1ΣgD∞h
155 C2H2+ acetylene cation 2ΠuD∞h
156 C2H2+ acetylene cation   
157 H2CC- vinylidene anion   
158 HCCH- acetylene anion   
159 HCCH- acetylene anion   
160 Si2H2 disilyne   
161 Si2H2 disilyne   
162 Si2H2 disilyne   
163 Si2H2 disilyne   
164 CH3Li methyl lithium 1A1C3v
165 C2H3 vinyl 2A'Cs
166 C2H3+ vinyl cation 1A1C2V bridging H
167 C2H3+ vinyl cation 1A1C2V HCCH2
168 C2H4 Ethylene 1AgD2h
169 C2H4+ Ethylene cation 2B3D2
170 Si2H4 Disilene   
171 Si2H4 Disilene   
172 Si2H4 Disilene   
173 C2H5 Ethyl radical 2A'Cs
174 C2H6 Ethane 1A1gD3d
175 Si2H6 disilane 1EuD3d
176 LiN Lithium Nitride 3ΣC∞v
177 LiP Lithium monophosphide   
178 LiP Lithium monophosphide   
179 MgN Magnesium Nitride   
180 MgN Magnesium Nitride   
181 GaAs Gallium arsenide 3Π 
182 GaAs Gallium arsenide 1Σ 
183 CN Cyano radical 2ΣC∞v
184 SiP Silicon monophosphide 2ΠC∞v
185 N2 Nitrogen diatomic 1ΣgD∞h
186 N2 Nitrogen diatomic   
187 N2- nitrogen diatomic anion 2ΠgD∞h
188 PN Phosphorus mononitride 1ΣC∞v
189 HCN Hydrogen cyanide 1ΣC∞v
190 HCN+ hydrogen cyanide cation 2ΠC∞v
191 HNC+ hydrogen isocyanide cation   
192 HCP+ Phosphaethyne cation   
193 NNH+ Dinitrogen monohydride cation 1ΣC∞v
194 LiNH2 lithium amide   
195 HBNH Boranimine 1ΣC∞v
196 H2NN Isodiazene   
197 N2H2+ trans-diazene cation 2AGC2h
198 CH2NH Methanimine 1A'Cs
199 CH2NH+ Methanimine cation   
200 CHNH2 aminomethylene   
201 CHNH2+ Aminocarbene cation   
202 BH2NH2 Boranamine   
203 N2H4 Hydrazine 1AC2
204 CH3NH2 methyl amine 1A'Cs
205 SiH3NH2 Silane, amino   
206 N2H5+ protonated hydrazine 1A'Cs
207 BH3PH3 borane phosphine   
208 BH3NH3 borane ammonia 1A1C3v
209 CH3NH3 methyl ammonium radical 2A1C3v
210 N2H7+ ammonia ammonium dimer   
211 LiSe Lithium monoselenide   
212 CaO Calcium monoxide 1ΣC∞v
213 CaS Calcium sulfide 1ΣC∞v
214 BO boron monoxide 2ΣC∞v
215 GaO Gallium monoxide 2ΣC∞v
216 GaS Gallium monosulfide   
217 CO Carbon monoxide 1ΣC∞v
218 CO- carbon monoxide anion 2ΠC∞v
219 CO+ carbon monoxide cation 2ΣC∞v
220 SiO Silicon monoxide 1ΣC∞v
221 SiS silicon monosulfide 1ΣC∞v
222 CSe Carbon monoselenide 1ΣC∞v
223 GeO Germanium monoxide 1ΣC∞v
224 SiSe Silicon Monoselenide   
225 SiSe+ Silicon Monoselenide cation   
226 GeSe Germanium monoselenide   
227 NO Nitric oxide 2ΠC∞v
228 NO- nitric oxide anion 3ΣC∞v
229 NO+ nitric oxide cation 1ΣC∞v
230 PO Phosphorus monoxide 2ΠC∞v
231 PS phosphorus sulfide 2ΣC∞v
232 NSe Nitrogen monoselenide 2ΠC∞v
233 AsS Arsenic monosulfide 2ΠC∞v
234 PSe Phosphorus monoselenide 2ΠC∞v
235 AsSe Arsenic monoselenide 2ΠC∞v
236 O2 Oxygen diatomic 3ΣgD∞h
237 O2- oxygen diatomic anion 2ΠD∞h
238 O2-- dioxygen dianion   
239 SO Sulfur monoxide 3ΣC∞v
240 SO Sulfur monoxide 1ΣC∞v
241 SO+ sulfur monoxide cation 2ΠC∞v
242 S2 Sulfur diatomic 3ΣgD∞h
243 SeO Selenium monoxide 3ΣC∞v
244 TeO Tellurium monoxide   
245 Se2 Selenium diatomic 3ΣgD∞h
246 Te2 Tellurium diatomic   
247 LiOH lithium hydroxide 1ΣC∞v
248 KOH Potassium hydroxide 1ΣC∞v
249 BeOH beryllium monohydroxide 2A'Cs
250 HBO Boron hydride oxide 1ΣC∞v
251 HBS hydrogen boron sulfide 1ΣC∞v
252 COH Hydroxymethylidyne   
253 HCO Formyl radical 2A'Cs
254 HCO- formyl anion 1A'Cs
255 HCO+ Formyl cation 1ΣC∞v
256 HNO Nitrosyl hydride 1A'Cs
257 HNO+ Nitrosyl hydride cation 2A'Cs
258 HO2+ Hydroperoxy cation 3A"Cs
259 HSO+ Sulfur Monoxide, S-protonated   
260 SOH Sulfur Hydroxide   
261 SOH+ Sulfur Monoxide, protonated   
262 H2CO Formaldehyde 1A1C2v
263 H2CO- formaldehyde anion 2A'Cs
264 H2CO- formaldehyde anion   
265 H2CO+ formaldehyde cation 2B2C2v
266 H2CS Thioformaldehyde 1A1C2v
267 H2CS- thioformaldehyde anion   
268 H2CS- thioformaldehyde anion   
269 H2CS+ thioformaldehyde cation 2B2C2v
270 H2CSe Selenoformaldehyde   
271 H2O2 Hydrogen peroxide 1AC2
272 H2O2 Hydrogen peroxide 1AgC2h
273 H2OO water oxide   
274 HOSH hydrogen thioperoxide   
275 H2S2 Disulfane 1AC2
276 H2S2+ hydrogen disulfide cation 2BgC2h
277 H2Se2 hydrogen diselenide   
278 CH2OH+ hydroxymethyl cation 1A'Cs
279 CH3O- methoxy anion 1A1C3v
280 NH2OH hydroxylamine 1A'Cs
281 NH2OH+ Hydroxylamine cation   
282 NH2SH Thiohydroxylamine   
283 NH2SH Thiohydroxylamine   
284 NH3S sulfidoazane   
285 CH3OH Methyl alcohol 1A'Cs
286 CH3OH+ Methyl alcohol cation 2A"Cs
287 CH3SH Methanethiol 1A'Cs
288 SiH3OH silanol   
289 NH2OH2+ protonated hydroxylamine   
290 NH3OH+ N-protonated hydroxylamine   
291 CH3SH2+ protonated methylsulfide 1A'Cs
292 H5O2+ Dihydroxonium ion 1AC2
293 LiF lithium fluoride 1ΣC∞v
294 LiCl lithium chloride 1ΣC∞v
295 NaF+ sodium fluoride cation 2ΣC∞v
296 LiBr Lithium Bromide 1ΣC∞v
297 LiI Lithium Iodide   
298 NaI Sodium Iodide   
299 LiF+ lithium fluoride cation 2ΠC∞v
300 CaBr Calcium monobromide   
301 BF Boron monofluoride 1ΣC∞v
302 AlF Aluminum monofluoride 1Σ+C∞v
303 GaF Gallium monofluoride 1ΣC∞v
304 AlBr Aluminum monobromide   
305 GaCl Gallium monochloride 1ΣGC∞v
306 AlI Aluminum monoiodide   
307 GaBr Gallium monobromide   
308 CF Fluoromethylidyne 2ΠC∞v
309 SiCl Clorosilylidyne 2ΠC∞v
310 CBr Carbon monobromide 2ΠC∞v
311 GeF Germanium monofluoride 2ΠC∞v
312 GeF+ Germanium monofluoride cation 1ΣC∞v
313 GeCl Germanium monochloride 2ΠC∞v
314 GeCl+ Germanium monochloride cation   
315 SiBr Silicon monobromide 2ΠC∞v
316 SiBr+ Silicon monobromide cation   
317 NCl nitrogen monochloride 3ΣC∞v
318 AsCl Arsenic monochloride 3ΣC∞v
319 PBr Phosphorus monobromide   
320 ClO Monochlorine monoxide 2ΠC∞v
321 ClO+ chlorine monoxide cation 3ΣC∞v
322 SF Monosulfur monofluoride 2ΠC∞v
323 SF+ sulfur monofluoride cation 3ΣC∞v
324 SCl+ sulfur monochloride cation 3ΣgC∞v
325 BrO Bromine monoxide 2ΠC∞v
326 BrO+ Bromine monoxide cation   
327 SBr Sulfur monobromide radical   
328 SBr+ Sulfur monobromide cation   
329 SeCl Selenium monochloride 2ΠC∞v
330 IO Iodine monoxide   
331 SeBr Selenium monobromide   
332 BrCl Bromine monochloride 1ΣC∞v
333 F2 Fluorine diatomic 1ΣgD∞h
334 F2- flourine diatomic anion 2ΣuD∞h
335 F2+ flourine diatomic cation 2ΠgD∞h
336 ClF Chlorine monofluoride 1Σ+C∞v
337 ClF+ clorine monofluoride cation 2ΠC∞v
338 Cl2+ chlorine diatomic cation 2ΠgD∞h
339 BrF Bromine monofluoride 1ΣC∞v
340 Br2 Bromine diatomic 1ΣgD∞h
341 Br2- bromine diatomic anion 2ΣuD∞h
342 Br2+ bromine diatomic cation 2ΠgD∞h
343 HCF Fluoromethylene 1A'Cs
344 HCF Fluoromethylene 3A"Cs
345 HSiF fluorosilylene   
346 HSiCl Chlorosilylene   
347 HSiBr monobromosilylene   
348 HOF Hypofluorous acid 1A'Cs
349 HOCl hypochlorous acid 1A'Cs
350 HOCl+ hypochlorous acid cation   
351 HOI Hypoiodous acid   
352 F2H+ Fluorine, protonated 1A'Cs
353 ClFH+ Chlorine fluoride, F-protonated   
354 FClH+ Chlorine fluoride, Cl-protonated   
355 Cl2H+ Chlorine, protonated 1A'Cs
356 CH2Br bromomethyl radical   
357 CH2F fluoromethyl radical 2ACs
358 CH2F+ fluoromethyl cation   
359 CH2Cl+ chloromethyl cation   
360 CH2Cl chloromethyl radical 2A'Cs
361 CH2Cl chloromethyl radical 2B1C2v
362 NH2Cl chloramine 1A'Cs
363 CH3F+ methyl fluoride cation   
364 CH3F Methyl fluoride 1A1C3v
365 CH3Cl Methyl chloride 1A1C3v
366 CH3Cl+ Methyl chloride cation   
367 SiH3F monofluorosilane 1A1C3v
368 SiH3Cl chlorosilane 1A1C1
369 CH3Br methyl bromide 1A1C3v
370 GeH3F monofluorogermane   
371 GeH3Cl monochlorogermane   
372 SiH3Br bromosilane 1A1C3v
373 SiH3I Silyl Iodide   
374 NH3Cl+ protonated monochloroammonia   
375 CH3ClH+ methyl chloride, protonated   
376 NH4Cl Ammonium chloride   
377 LiNe+ Lithium Neon cation   
378 Ar2 Argon diatomic 1SgD∞h
379 C3 carbon trimer 1ΣgD∞h
380 C3 carbon trimer 1A1C2v
381 SiC2 Silicon dicarbide   
382 C3H4 cyclopropene 1A1C2v
383 CH2CCH2 allene 1A1D2d
384 CH3CCH propyne 1A'C3v
385 C3H6 Cyclopropane 1A1'D3h
386 CH2CHCH3 Propene 1A'Cs
387 C3H7 n-Propyl radical 2A"C1
388 C3H7+ cyclopropane, protonated   
389 CH3CHCH3 Isopropyl radical 2AC2
390 CH3CHCH3+ Isopropyl cation 1AC2
391 C3H8 Propane 1A1C2v
392 Si3H8 trisilane   
393 LiCN lithium cyanide 1ΣC*V LiCN
394 KCN Potassium cyanide 1ΣC∞v
395 KCN Potassium cyanide 1ΣC∞v
396 KCN Potassium cyanide 1A'Cs
397 ZnCN Zinc monocyanide 2ΣC∞v
398 ZnNC Zinc isocyanide 2ΣC∞v
399 AlCN Aluminum monocyanide   
400 AlNC Aluminum isocyanide   
401 CNN Diazocarbene   
402 N3 azide radical 2ΠgD∞h
403 N3+ azide cation 3ΣC∞v
404 HN3 hydrogen azide 1A'Cs
405 HN3+ Hydrazoic acid cation   
406 HNCNH diiminomethane 1AC2
407 HNNNH+ 1,2-Triazadienium   
408 NH2NN+ hydrazoic acid, protonated   
409 CH3CN Acetonitrile 1A1C3v
410 CH3CN- acetonitrile anion 2EC3v
411 CH3CN- acetonitrile anion 2A'Cs
412 CHNCH2 2H-Azirine   
413 CHNHCH 1H-Azirine   
414 H2CCNH Ethenimine   
415 H2CNCH methyleneaminomethylene   
416 HCCNH2 Ethynamine   
417 HCNCH2+ 2H-Azirine cation   
418 NH2CNH+ cyanamide, cn protonated   
419 NH3CN+ cyanamide, amine protonated   
420 C2H6N+ aziridine, protonated 1A1C2v
421 CH3CH2NH2 Ethylamine   
422 CH3PHCH3 dimethylphosphine 1A'Cs
423 Li2O dilithium oxide 1ΣgD∞h
424 Na2O disodium monoxide 1ΣgLinear
425 Na2O disodium monoxide 1A1C2v
426 Na2S Sodium sulfide   
427 Na2S Sodium sulfide   
428 LiO2 Lithium dioxide   
429 NaO2 Sodium superoxide   
430 NCO isocyanato radical 2ΠC∞v
431 N2O Nitrous oxide 1ΣC∞v
432 CO2 Carbon dioxide 1ΣgD∞h
433 OCS Carbonyl sulfide 1ΣC∞v
434 CS2 Carbon disulfide 1ΣgD∞h
435 GeO2 Germanium dioxide 1ΣgD∞h
436 OCSe Carbonyl selenide 1ΣC∞v
437 SCSe Carbon sulfide selenide   
438 SCTe Carbon sulfide Telluride   
439 NO2 Nitrogen dioxide 2A1C2v
440 NO2+ Nitrogen dioxide cation 1ΣGD∞h
441 NSO sulfinyl amidogen   
442 SNO Nitrogen oxide sulfide   
443 O3 Ozone 1A1Cs
444 SO2 Sulfur dioxide 1A1C2v
445 SSO Disulfur monoxide 1A'Cs
446 S3 Sulfur trimer 1A1C2v
447 S3 Sulfur trimer   
448 SeO2 Selenium dioxide 1A1C2v
449 TeO2 Tellurium Dioxide   
450 HCCO ketenyl radical 2ΠC∞v
451 HCCO ketenyl radical 2A"Cs
452 HCNO fulminic acid 1ΣC∞v
453 HNCS Isothiocyanic acid   
454 HSCN thiocyanic acid 1A'Cs
455 HOCO Hydrocarboxyl radical 1A'cis
456 HOCO Hydrocarboxyl radical 1A'trans
457 O3H+ protonated ozone 1A'Cs
458 O3H+ protonated ozone   
459 SO2H+ protonated sulfur dioxide 1A'Cs
460 C2H2O Oxirene 1A1C2v
461 CH2CO Ketene 1A1C2v
462 CH2CS Thioketene   
463 Be(OH)2 Beryllium hydroxide   
464 Be(OH)2 Beryllium hydroxide   
465 Be(OH)2 Beryllium hydroxide   
466 H2COO Dioxymethyl radical 2A'Cs
467 H2COO+ dioxymethyl cation 2A'Cs
468 HCOOH Formic acid 1A'Cs
469 HCOOH Formic acid   
470 BH3CO Borane carbonyl 1A1C3v
471 CH2COH+ ketene, protonated   
472 HOCHNH hydroxymethylimine 1A'CS H all up
473 CHSNH2 thioformamide   
474 NHCHSH Methanimidothioic acid   
475 C2H4O Ethylene oxide 1A1C2v
476 C2H4O+ ethylene oxide cation   
477 CH3CHO Acetaldehyde 1A'Cs
478 CH3CHO+ acetaldehyde cation   
479 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
480 C2H4S Thiirane 1A1C2v
481 CH2CHSH Ethenethiol   
482 CH3CHS Thioacetaldehyde 1A'C1
483 NH2CHOH+ Formamide, O-protonated   
484 CH3SSH Hydrogen methyl disulfide   
485 HSCH2SH Methanedithiol   
486 C2H4OH+ ethylene oxide, protonated 1A'Cs
487 NH2CH2OH aminomethanol   
488 CH3CH2OH Ethanol 1A'Cs
489 CH3OCH3 Dimethyl ether 1A1C2v
490 CH3CH2SH ethanethiol 1A'Cs
491 CH3CH2SH ethanethiol 1AC1
492 CH3SCH3 Dimethyl sulfide 1A1C2v
493 CH3SCH3+ dimethyl sulfide cation   
494 CH3SeCH3 dimethylselenide 1A1C2v
495 CNF iso cyanogen fluoride 1ΣC∞v
496 BrCN Cyanogen bromide 1ΣC∞v
497 ICN Cyanogen iodide 1ΣC∞v
498 FBO Boron monofluoride monoxide   
499 BeBr2 Beryllium bromide   
500 CaBr2 Calcium dibromide   
501 BF2 Boron difluoride radical 2A1C2v
502 FNO Nitrosyl fluoride 1A'Cs
503 ClNO Nitrosyl chloride 1A'Cs
504 FNS Thionitrosyl fluoride 1A'Cs
505 FSN Thiazyl fluoride 1A'Cs
506 OPCl Phosphorus oxychloride   
507 INO Nitrosyl iodide 1A'Cs
508 CF2 Difluoromethylene 1A1D∞h
509 CFCl chlorofluoromethylene 1A'Cs
510 SiF2 Silicon difluoride 1A1C2v
511 GeCl2 Germanium dichloride 1A1C2v
512 CBr2 dibromomethylene 1A1C2v
513 CBr2 dibromomethylene 3B1C2v
514 FOO+ Fluorine dioxide cation   
515 OClO Chlorine dioxide 2B1D∞h
516 OClO- Chlorine dioxide anion 1A'Cs
517 ClSO Sulfur chloride oxide 2A"Cs
518 BrOO Bromine dioxide   
519 OBrO Bromine dioxide radical 2B1C2v
520 PF2 Phosphorus difluoride   
521 PF2+ Phosphorus difluoride cation   
522 FClO chlorosyl fluoride 1A'Cs
523 ClOF Chlorine hypofluorite 1A'Cs
524 SF2 sulfur difluoride 1A1C2v
525 SeF2 Selenium difluoride   
526 SeCl2 Selenium Dichloride   
527 SBr2 Sulfur dibromide   
528 SeBr2 Selenium dibromide   
529 Br3- tribromide anion   
530 I3- triiodide   
531 SFCl Sulfur chloride fluoride   
532 HCCF Fluoroacetylene 1ΣC∞v
533 HCCBr bromoacetylene 1ΣC∞v
534 CHF2 difluoromethyl radical 2ACs
535 CHF2+ difluoromethyl cation   
536 CHFCl Chlorofluoromethyl radical   
537 CHFCl+ Chlorofluoromethyl cation   
538 CHCl2+ dichloromethyl cation   
539 CHBr2 dibromomethyl radical   
540 NHF2 difluoramine   
541 NHCl2 dichloroamine   
542 CH2F2 Methane, difluoro- 1A1C2v
543 SiH2F2 difluorosilane   
544 CH2Cl2 Methylene chloride 1A1C2v
545 CH2BrF Methane, bromofluoro- 1A'Cs
546 CH2BrCl Methane, bromochloro- 1A'Cs
547 CH2FI fluoroiodomethane   
548 CH2Br2 dibromomethane 1A1C2v
549 CH2ClI chloroiodomethane   
550 CH2BrI bromoiodomethane   
551 CH2I2 Diiodomethane   
552 CH3MgBr Methyl Magnesium Bromide   
553 CH2CHF Ethene, fluoro- 1A'Cs
554 C2H3I Vinyl iodide   
555 CH2FOH fluoromethanol   
556 CH2CH2Cl 2-chloroethyl radical 2A'Cs
557 CHClCH3 1-chloroethyl radical 2AC1
558 C2H5Br Ethyl bromide 1A'Cs
559 C2H5I Ethyl iodide   
560 XeF2 Xenon difluoride   
561 C4 Carbon tetramer 3ΣgD∞h
562 C4 Carbon tetramer   
563 C4H2+ diacetlyene cation 2ΠgD∞h
564 C4H4 Tetrahedrane   
565 C4H6 1-Methylcyclopropene 1AC1
566 CH2CHCH2CH3 1-Butene 1AC1
567 CH3CH2CH2CH3 Butane 1AgAnti
568 CH3CH2CH2CH3 Butane 1AGauche
569 As4 Arsenic tetramer 1A1Td
570 HCCCN+ Cyanoacetylene cation 2ΠC∞v
571 H2CNCN cyanamide, methylene   
572 HNCCNH Ethenediimine   
573 NH2CCNH2 Diaminoacetylene 1AC2
574 NH2CCNH2 Diaminoacetylene 1A1D2d
575 NH2CH2CN Aminoacetonitrile 1A'Cs
576 C2H5CN ethyl cyanide 1A'Cs
577 C4H6 Bicyclo[1.1.0]butane 1A1C2v
578 H2NCHCHNH2 diaminoethylene   
579 CH7N3 triaminomethane   
580 NH2CH2CH2CH3 1-Propanamine 1A'Cs
581 N(SiH3)3 trisilylamine   
582 (CH3)3NH+ protonated trimethyl amine   
583 C3H7NH3+ n-propylamine, protonated 1A'Cs
584 K2O2 dipotassium dioxide   
585 C3O Tricarbon monoxide 1ΣC∞v
586 ONNO NO dimer 1Agtrans C2H
587 ONNO NO dimer 1A1cis C2V
588 S2N2 Disulfur dinitride 1AGD2h
589 CS3-- Carbonotrithioate   
590 SO3 Sulfur trioxide 1A1'D3h
591 SO3-- Sulfate dianion   
592 S4 Sulfur tetramer   
593 S4 Sulfur tetramer   
594 S4 Sulfur tetramer   
595 TeO3 Tellurium trioxide   
596 HNO3 Nitric acid 1A'Cs
597 C3H2O Propadienal   
598 C3H2O Propadienal   
599 C2H2O2 Ethanedial 1AgC2h
600 C2H3NO Nitrosoethylene   
601 CH3NCO methylisocyante   
602 HOCH2CN cyanomethanol   
603 CH3NO2 Methane, nitro- 1A'Cs
604 H3AlO3 Aluminum hydroxide   
605 CH2CHCHO Acrolein 1A'Cs
606 CH2CHCHO Acrolein   
607 CH2C(OH)NH2 1-amino vinyl alchohol   
608 CH3C(OH)=NH Ethaninidic acid   
609 CH3CSNH2 Ethanethioamide   
610 C3H5OH Cyclopropanol 1AC1
611 C3H6O Acetone enol 1A'Cs
612 CH3CH2CHO Propanal 1A'Cs
613 CH3COCH3 Acetone 1A1C2v
614 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
615 C3H7OH 1-Propanol   
616 Li2F2 Lithium fluoride dimer   
617 FNO2 Nitryl fluoride 1A1C2v
618 FONO Nitrosyl hypofluorite 1A'CS cis
619 CF2O Carbonic difluoride 1A1C2v
620 CF2O+ Carbonic difluoride cation   
621 BF3+ boron trifluoride cation   
622 BClF2 Chlorodifluoroborane   
623 BCl3 Borane, trichloro- 1A1'D3h
624 BCl3+ Boron Trichloride cation   
625 GaF3 Gallium trifluoride 1A1'D3h
626 GaCl3 Gallium trichloride 1A1'D3h
627 CF2Cl difluorochloromethyl radical   
628 CFCl2 dichlorofluoromethyl radical   
629 CBr3 tribromomethyl radical   
630 SSCl2 Thiothionyl chloride   
631 NF3 Nitrogen trifluoride 1A1C3v
632 NCl3 nitrogen trichloride 1A1C3v
633 SbF3 Antimony Trifluoride   
634 SbCl3 Antimony Trichloride   
635 NBr3 Nitrogen Tribromide 1A1C3v
636 NI3 Nitrogen triiodide   
637 PI3 Phosphorus triiodide   
638 IF3 iodone trifluoride   
639 HClO3 Chloric Acid 1A'Cs
640 HClO3 Chloric Acid 1AC1
641 CHF3 Methane, trifluoro- 1A1C3v
642 SiHF3 trifluorosilane   
643 CHCl3 Chloroform 1A1C3v
644 CHBrF2 Methane, bromodifluoro- 1A'Cs
645 CHFClBr fluorochlorobromomethane 1AC1
646 CHBrCl2 Methane, bromodichloro- 1A'Cs
647 CHF2I difluoroiodomethane   
648 CHBr2F dibromofluoromethane   
649 CHFClI fluorochloroiodomethane   
650 NF3H+ protonated nitrogen trifluoride 1A1C3v
651 AsF3H+ Arsenic trifluoride, protonated   
652 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
653 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
654 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
655 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
656 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
657 C2H4F2 1,2-difluoroethane 1AgC2H anti
658 C2H4F2 1,2-difluoroethane 1AC2 gauche
659 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
660 CH2BrCH2Cl 1-bromo-2-chloroethane   
661 CH2BrCH2Cl 1-bromo-2-chloroethane   
662 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
663 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
664 CH2CHCH2F Allyl Fluoride   
665 CH2CHCH2F Allyl Fluoride   
666 CH3CHCHF trans-1-Fluoro-1-propene   
667 CH2FCH2OH 2-fluoroethanol   
668 CH2FCH2CH3 1-Fluoropropane 1A'Cs
669 CH2FCH2CH3 1-Fluoropropane   
670 CH3CHFCH3 2-Fluoropropane 1A'Cs
671 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
672 B5H9 pentaborane9   
673 C5H4 pentatetraene   
674 C5H6 Propellane 1A1D3h
675 C5H8 Bicyclo[1.1.1]pentane   
676 C3H4N2 2H-Imidazole 1A1C2v
677 C4H5N Pyrrole 1A1C2v
678 C4H6N+ pyrrole, beta-protonated 1A'Cs
679 C3O2 Carbon suboxide 1ΣGD∞h
680 B2O3 diboron trioxide   
681 B2O3 diboron trioxide   
682 CHOOCHO diformyl ether   
683 C3H3NO Isoxazole 1A'Cs
684 C3H3NS Thiazole   
685 C4H4O Furan 1A1C2
686 CH3COCCH 3-butyn-2-one 1A'Cs
687 C4H4Se selenophene   
688 CH3SO2NH2 methanesulfonamide 1A'Cs
689 CH2CHSCHCH2 Divinyl sulfide   
690 HCOOC2H5 Ethyl formate 1A'Cs
691 C2H6O2S Dimethyl sulfone 1A1C2v
692 C4H8S Thiophene, tetrahydro- 1AC1
693 C4H10O Ethoxy ethane 1A1C2v
694 C4H10O Methyl propyl ether 1AC1
695 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
696 C4H9SH 1-Butanethiol   
697 CF3Cl Methane, chlorotrifluoro- 1A1C3v
698 CF2Cl2 difluorodichloromethane 1A1C2v
699 CF3Br Bromotrifluoromethane 1A1C3v
700 GeF4 Germanium tetrafluoride 1A1Td
701 CCl4 Carbon tetrachloride 1A1Td
702 CBrCl2F bromodichlorofluoromethane   
703 CBr2ClF dibromochlorofluoromethane   
704 CBr2Cl2 dibromodichloromethane 1A1C2v
705 CCl3I trichloroiodomethane   
706 CFClBrI fluorochlorobromoiodomethane   
707 CBr3Cl tribromochloromethane 1A1C3v
708 CF2I2 difluorodiiodomethane   
709 CBr4 Carbon tetrabromide 1A1Td
710 CCl2I2 dichlorodiiodomethane   
711 SiBr4 Silicon tetrabromide 1A1Td
712 GeBr4 Germanium tetrabromide   
713 CI4 tetraiodomethane   
714 SiI4 silicon tetraiodide   
715 SF4 Sulfur tetrafluoride 1A1C2v
716 SeF4 Selenium tetrafluoride   
717 SCl4 Sulfur tetrachloride   
718 CH2ClCCCl 1,3-dichloropropyne   
719 CHCl2CCH 3,3-dichloropropyne   
720 CHCl2CHO dichloroacetaldehyde   
721 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
722 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
723 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
724 CH2FCH2CH2F 1,3-difluoropropane   
725 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
726 XeF4 Xenon tetrafluoride   
727 C2H2N2O Furazan   
728 NH3BF3 Amminetrifluoroboron 1A1C3v
729 C6H6 Prismane   
730 C6H6 1,2,4,5-Hexatetraene 1AgC2h
731 C6H6 Benzene 1A1gD6h
732 C6H6 Benzvalene 1A1C2v
733 C6H6 Dewar Benzene   
734 C6H7+ benzene, protonated 1A1C2v
735 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
736 MgSO4 Magnesium Sulfate 1A1C2v
737 N2O4 Dinitrogen tetroxide 1AgD2d
738 C3H2O3 vinylene carbonate   
739 C2H4O4 Formic acid dimer 1AGC2h
740 C5H6O 2H-Pyran   
741 C5H6O Pentadienal   
742 C4H6O2 γ–Butyrolactone 1AC1
743 C3H6O3 1,3,5-Trioxane 1A1C1
744 C3H6S3 1,3,5-Trithiane 1A1C3v
745 C4H8O2 Ethyl acetate 1A'Cs
746 C5H10O 3-Pentanone 1A1C2v
747 C4F2 difluorobutadiyne   
748 ClCOClCO Oxalyl chloride 1AGC2h
749 C2ClF3 Ethene, chlorotrifluoro-   
750 C2Br4 tetrabromoethene   
751 SiF5- silicon pentafluoride anion   
752 PF5 Phosphorus pentafluoride 1A1'D3h
753 IF5 pentafluoroiodine   
754 CH2ClCCl3 1,1,1,2-tetrachloroethane   
755 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
756 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
757 C4H8O2 Butanoic acid 1AC1
758 C7H7 cycloheptatrienyl radical 2A2C2v
759 C7H7+ cycloheptatrienyl cation 1A1'D7h
760 CH(CN)3 tricyanomethane   
761 HN=C=C(CN)2 Dicyanoketenimine   
762 C5H4O2 furfural 1A'OCCO cis
763 C5H4O2 furfural 1A'OCCO trans
764 C7H10 Norbornene   
765 C6H12O Oxepane   
766 F2CCCF2 tetrafluoroallene   
767 SF6 Sulfur Hexafluoride 1A1GOh
768 CF3CHF2 pentafluoroethane 1A'Cs
769 C8H8 cubane 1A1GOh
770 S4N4 Tetrasulfur tetranitride   
771 C6H5CHO benzaldehyde 1A'Cs
772 C2Cl6 hexachloroethane 1A1gD3d
773 C6H4F2 1,4-difluorobenzene 1AgD2h
774 C6H4Cl2 1,4-dichlorobenzene   
775 C6H5NO nitrosobenzene 1A'Cs
776 C3F6 hexafluoropropene   
777 C8H18O 1-Octanol   
778 C10H10 bullvalene   
779 B12H12-- Dodecahydrododecaborate(2-)   
780 S2F10 disulphur decafluoride   
781 C13H10 Fluorene   
782 C14H14 Bibenzyl 1AC2
783 C6H5COC6H5 benzophenone 1AC2
784 C19H16 Triphenylmethane 1AC3

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He Helium atom he  
10 He- Helium atom anion he-  
11 HeH Helium hydride heh  
12 Li Lithium atom li  
13 Li+ Lithium atom cation li+  
14 Na Sodium atom na  
15 Na- Sodium atom anion na-  
16 Na+ Sodium atom cation na+  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu Copper atom cu  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH Lithium Hydride lih  
23 LiH- lithium hydride anion lih-  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH+ Potassium hydrogen cation kh+  
28 CuH Copper monohydride cuh  
29 Be Beryllium atom be  
30 Be- Beryllium atom anion be-  
31 Be+ Beryllium atom cation be+  
32 Mg Magnesium atom mg  
33 Mg- Magnesium atom anion mg-  
34 Mg+ Magnesium atom cation mg+  
35 Ca Calcium atom ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH- magnesium monohydride anion mgh-  
45 MgH+ magnesium monohydride cation mgh+  
46 CaH Calcium monohydride cah  
47 CaH+ Calcium monohydride cation cah+  
48 TiH Titanium monohydride tih  
49 ZnH Zinc monohydride znh  
50 BeH2 beryllium dihydride beh2  
51 CaH2 Calcium Hydride cah2  
52 ZnH2 Zinc hydride znh2  
53 B Boron atom b  
54 B- Boron atom anion b-  
55 B+ Boron atom cation b+  
56 Al Aluminum atom al  
57 Sc Scandium atom sc  
58 Sc+ Scandium cation sc+  
59 BH Boron monohydride bh  
60 BH- boron monohydride anion bh-  
61 BH+ boron monohydride cation bh+  
62 AlH aluminum monohydride alh  
63 AlH- aluminum monohydride anion alh-  
64 AlH+ aluminum monohydride cation alh+  
65 ScH Scandium monohydride sch  
66 ScH+ Scandium monohydride cation sch+  
67 BH2 boron dihydride bh2  
68 BH2- boron dihydride anion bh2-  
69 BH2+ Boron dihydride cation bh2+  
70 AlH2 aluminum dihydride alh2  
71 AlH2- aluminum dihydride anion alh2-  
72 AlH2+ aluminum dihydride cation alh2+  
73 BH3 boron trihydride bh3  
74 BH3- boron trihydride anion bh3-  
75 AlH3 aluminum trihydride alh3  
76 AlH3+ aluminum trihydride cation alh3+  
77 ScH3 Scandium trihydride sch3  
78 GaH3 Gallium trihydride gah3  
79 BH4 borohydride bh4  
80 AlH4- Aluminum tetrahydride anion alh4-  
81 C- Carbon atom anion c-  
82 C+ Carbon atom cation c+  
83 Si Silicon atom si  
84 Si+ Silicon atom cation si+  
85 Ti Titanium atom ti  
86 Ti- Titanium atom anion ti-  
87 Ti+ Titanium atom cation ti+  
88 CH- methylidyne anion ch-  
89 CH+ Methylidyne cation ch+  
90 SiH- silicon monohydride anion sih-  
91 SiH+ silicon monohydride cation sih+  
92 GeH+ Germaniun monohyrdide cation geh+  
93 CH2 Methylene ch2  
94 CH2+ methylene cation ch2+  
95 SiH2 silicon dihydride sih2  
96 SiH2- silicon dihydride anion sih2-  
97 SiH2+ silicon dihydride cation sih2+  
98 GeH2- germylene anion geh2-  
99 CH3- methyl anion ch3-  
100 CH3+ methyl cation ch3+  
101 SiH3- Silyl anion sih3-  
102 CD4 methane-d4 cd4  
103 CH2D2 methane-d2 ch2d2  
104 CH3D methane-d ch3d  
105 CH4- Methane anion ch4-  
106 CH4+ Methane cation ch4+  
107 CHD3 methane-d3 chd3  
108 SiH4+ Silane cation sih4+  
109 N- Nitrogen atom anion n-  
110 N+ Nitrogen atom cation n+  
111 P- Phosphorus atom anion p-  
112 P+ Phosphorus atom cation p+  
113 V Vanadium atom v  
114 NH Imidogen nh  
115 NH- Imidogen anion nh-  
116 NH+ imidogen cation nh+  
117 PH- phosphorus monohydride anion ph-  
118 PH+ phosphorus monohydride cation ph+  
119 AsH+ Arsenic monohydride cation ash+  
120 ND2 Amidogen-d2 nd2  
121 NH2- amino anion nh2-  
122 PH2 Phosphino radical ph2  
123 PH2- Phosphino anion ph2-  
124 PH2+ Phosphino cation ph2+  
125 AsH2 Arsenic dihydride ash2  
126 AsH2+ Arsenic dihydride cation ash2+  
127 ND3 Ammonia-d3 nd3  
128 NH3- Ammonia anion nh3-  
129 NH3+ ammonia cation nh3+  
130 O- Oxygen atom anion o-  
131 O+ Oxygen atom cation o+  
132 S Sulfur atom s  
133 S- Sulfur atom anion s-  
134 S+ Sulfur atom cation s+  
135 Cr Chromium atom cr  
136 DO Hydroxyl-d od  
137 DS Mercapto-d ds  
138 HS Mercapto radical hs  
139 D2O Deuterium oxide d2o  
140 D2S Hydrogen sulfide-d2 d2s  
141 H2S- Hydrogen sulfide anion h2s-  
142 Mn Manganese atom mn  
143 I Iodine atom iodine  
144 DF Hydrofluoric acid-d df  
145 DCl Hydrochloric acid-d dcl  
146 HI Hydrogen iodide hi  
147 HI+ Hydrogen iodide cation hi+  
148 H2F+ dihydrogen fluoride cation h2f+  
149 H2I+ Iodonium h2i+  
150 Ne Neon atom ne  
151 Ne- Neon atom anion ne-  
152 Ne+ Neon atom cation ne+  
153 Ar Argon atom ar  
154 Ar- Argon atom anion ar-  
155 Ar+ Argon atom cation ar+  
156 Fe Iron atom fe  
157 NeH neon hydrogen neh  
158 NeH+ neon hydrogen cation neh+  
159 H2Ar H2 Ar dimer h2ar  
160 Co Cobalt atom cobalt  
161 Ni Nickel atom ni  
162 Li2 Lithium diatomic li2  
163 Li2- lithium diatomic anion li2-  
164 Li2+ lithium diatomic cation li2+  
165 NaLi- lithium sodium anion lina-  
166 NaLi+ lithium sodium cation lina+  
167 LiK Lithium Potassium lik  
168 NaK Sodium Potassium nak  
169 NaK+ Sodium Potassium diatomic cation nak+  
170 K2 Potassium diatomic k2  
171 Cu2 Copper diatomic cu2  
172 LiBe Lithium Beryllium libe  
173 LiMg Lithium magnesium limg  
174 NaBe Sodium Beryllium nabe  
175 NaMg Sodium Magnesium namg  
176 Be2 Beryllium diatomic be2  
177 Be2- Beryllium diatomic anion be2-  
178 Be2+ Beryllium diatomic cation be2+  
179 BeMg Beryllium Magnesium bemg  
180 Mg2 Magnesium diatomic mg2  
181 Mg2- magnesium diatomic anion mg2-  
182 Mg2+ magnesium diatomic cation mg2+  
183 Ca2 Calcium diatomic ca2  
184 LiB Lithium boride lib  
185 BeB Beryllium monoboride beb  
186 B2 Boron diatomic b2  
187 B2- Boron diatomic anion b2-  
188 B2+ Boron diatomic cation b2+  
189 BAl Boron Aluminum bal  
190 Al2 Aluminum diatomic al2  
191 Al2- aluminum diatomic anion al2-  
192 Al2+ aluminum diatomic cation al2+  
193 BGa Boron Gallium bga  
194 AlGa Aluminum Gallium alga  
195 Ga2 Gallium diatomic ga2  
196 LiBH4 Lithium borohydride libh4  
197 Al2H6 dialane al2h6  
198 Ga2H6 digallane ga2h6  
199 LiC Lithium Carbide lic  
200 BeC Beryllium Carbide bec  
201 BC boron monocarbide bc  
202 BC- boron monocarbide anion bc-  
203 BC+ boron monocarbide cation bc+  
204 AlC Aluminum carbide alc  
205 C2 Carbon diatomic c2  
206 C2- carbon diatomic anion c2-  
207 C2+ carbon diatomic cation c2+  
208 SiC silicon monocarbide sic  
209 SiC- silicon monocarbide anion sic-  
210 SiC+ silicon monocarbide cation sic+  
211 Si2 Silicon diatomic si2  
212 Si2- silcon diatomic anion si2-  
213 Si2+ silcon diatomic cation si2+  
214 Ge2 Germanium diatomic ge2  
215 C2H+ Ethynyl cation c2h+  
216 ZnCH2 Zinc methylene znch2  
217 CCH2 vinylidene vinylidene  
218 CuCH3 monomethyl copper cuch3  
219 ZnCH3 Zinc monomethyl znch3  
220 CH2BH methyleneborane ch2bh  
221 C2H3- vinyl anion c2h3-  
222 C2H4- Ethylene anion c2h4-  
223 CH3CH methylmethylene ch3ch  
224 CH2SiH2 silaethylene ch2sih2  
225 CH3BH2 methylborane ch3bh2  
226 C2H5- Ethyl anion c2h5-  
227 C2H5+ Ethyl cation c2h5+  
228 C2H6+ ethane cation c2h6+  
229 CH3SiH3 methyl silane ch3sih3  
230 GeH3CH3 methyl germane geh3ch3  
231 C2H7+ Ethane, protonated c2h7+  
232 LiN+ Lithium Nitride cation lin+  
233 BeN Beryllium mononitride ben  
234 BeN- Beryllium mononitride anion ben-  
235 BeN+ Beryllium mononitride cation ben+  
236 BN- boron nitride anion bn-  
237 AlN- aluminum mononitride anion aln-  
238 AlN+ aluminum mononitride cation aln+  
239 BP Boron monophosphide bp  
240 AlP Aluminum monophosphide alp  
241 GaN Gallium mononitride gan  
242 GaP Gallium monophosphide gap  
243 BN boron nitride bn  
244 BN+ boron nitride cation bn+  
245 AlN Aluminum nitride aln  
246 CN- cyanide anion cn-  
247 CN+ Cyano cation cn+  
248 CP Carbon monophosphide cp  
249 CP- carbon monophosphide anion cp-  
250 CP+ carbon monophosphide cation cp+  
251 SiN Silicon nitride sin  
252 SiN- silicon mononitride anion sin-  
253 SiN+ silicon mononitride cation sin+  
254 SiP- Silicon monophosphide anion sip-  
255 SiP+ Silicon monophosphide cation sip+  
256 TiN Titanium mononitride tin  
257 N2+ diatomic nitrogen cation n2+  
258 PN- phosphorus nitride anion pn-  
259 PN+ phosphorus nitride cation pn+  
260 P2 Phosphorus diatomic p2  
261 P2- phosphorus diatomic anion p2-  
262 P2+ phosphorus diatomic cation p2+  
263 AsN Arsenic mononitride asn  
264 AsP Arsenic monophosphide asp  
265 SbN Antimony nitride sbn  
266 As2 Arsenic diatomic as2  
267 HNB hydrogen nitrogen boron hnb  
268 HNC hydrogen isocyanide hnc  
269 HCN- Hydrogen cyanide anion hcn-  
270 HCP Phosphaethyne hcp  
271 NNH Dinitrogen monohydride nnh  
272 HPO Hydrogen phosphorus oxide hpo  
273 HPO+ Hydrogen phosphorus oxide cation hpo+  
274 CNH2 Aminomethylidyne radical cnh2  
275 CNH2+ N-protonated hydrogen isocyanide cnh2+  
276 H2CN Dihydrogen cyanide radical h2cn  
277 H2CN+ hydrocyanonium cation h2cn+  
278 HCNH methyleneazane hcnh  
279 HCNH+ N-protonated HCN hcnh+  
280 N2H2 (E)-diazene n2h2  
281 N2H2 (Z)-Diazene n2h2z  
282 CH2PH Phosphaethene ch3p  
283 CH2NH2+ methyleneamine cation ch2nh2+  
284 N2H4+ hydrazine cation n2h4+  
285 P2H4 Diphosphine p2h4  
286 CH3NH2+ methyl amine cation ch3nh2+  
287 CH3PH2 Methyl phosphine ch3ph2  
288 CH3NH3+ protonated methylamine ch3nh3+  
289 CH3PH3+ methyl phosphine, protonated ch3ph3+  
290 NH3NH3 Ammonia Dimer nh3nh3  
291 LiO lithium oxide lio  
292 LiO- lithium oxide anion lio-  
293 LiO+ lithium oxide cation lio+  
294 LiS Lithium monosulfide lis  
295 LiS+ Lithium sulfide cation lis+  
296 NaO sodium monoxide nao  
297 NaO- sodium oxide anion nao-  
298 NaO+ sodium oxide cation nao+  
299 KO Potassium monoxide ko  
300 KO+ Potassium monoxide cation ko+  
301 NaS Sodium sulfide nas  
302 CuO Copper Monoxide cuo  
303 BeO beryllium oxide beo  
304 BeO- Beryllium monoxide anion beo-  
305 BeO+ Beryllium monoxide cation beo+  
306 BeS beryllium sulfide bes  
307 MgO magnesium oxide mgo  
308 MgO- magnesium oxide anion mgo-  
309 MgO+ magnesium oxide cation mgo+  
310 MgS magnesium sulfide mgs  
311 MgS- magnesium sulfide anion mgs-  
312 MgS+ magnesium sulfide cation mgs+  
313 ZnO zinc monoxide zno  
314 ZnS Zinc sulfide zns  
315 BeS- Beryllium monosulfide anion bes-  
316 BeS+ Beryllium monosulfide cation bes+  
317 BO- boron monoxide anion bo-  
318 AlO Aluminum monoxide alo  
319 AlO- Aluminum monoxide anion alo-  
320 AlO+ aluminum monoxide cation alo+  
321 BS boron sulfide bs  
322 BS- boron monosulfide anion bs-  
323 BS+ boron monosulfide cation bs+  
324 AlS Aluminum sulfide als  
325 AlS- aluminum monosulfide anion als-  
326 AlS+ aluminum monosulfide cation als+  
327 ScO Scandium monoxide sco  
328 BO+ boron monoxide cation bo+  
329 CS carbon monosulfide cs  
330 CS- carbon monosulfide anion cs-  
331 CS+ carbon monosulfide cation cs+  
332 SiO- silicon monoxide anion sio-  
333 SiO+ silicon monoxide cation sio+  
334 SiS- silicon monosulfide anion sis-  
335 SiS+ silicon monosulfide cation sis+  
336 TiO Titanium monoxide tio  
337 CSe- Carbon monoselenide anion cse-  
338 CSe+ Carbon monoselenide cation cse+  
339 GeO+ Germanium monoxide cation geo+  
340 GeS Germanium monosulfide ges  
341 NS Mononitrogen monosulfide ns  
342 NS- nitrogen sulfide anion ns-  
343 NS+ nitrogen sulfide cation ns+  
344 PO- phosphorus monoxide anion po-  
345 PO+ phosphorus monoxide cation po+  
346 PS- phosphorus monosulfide anion ps-  
347 PS+ phosphorus monosulfide cation ps+  
348 VO Vanadium monoxide vo  
349 AsO Arsenic monoxide aso  
350 O2+ diatomic oxygen cation o2+  
351 SO- sulfur monoxide anion so-  
352 S2- sulfur diatomic anion s2-  
353 S2+ sulfur diatomic cation s2+  
354 SeO- selenium monoxide anion seo-  
355 SeO+ selenium monoxide cation seo+  
356 SeS Selenium monosulfide ses  
357 SeS- selenium monosulfide anion ses-  
358 SeS+ selenium monosulfide cation ses+  
359 Se2- selenium diatomic anion se2-  
360 Se2+ selenium diatomic cation se2+  
361 NaOH sodium hydroxide naoh  
362 MgOH magnesium hydroxide mgoh  
363 CaOH Calcium monohydroxide caoh  
364 COH+ Carbon Monoxide, protonated coh+  
365 HCS Thioformyl radical hcs  
366 HCS- Thioformyl anion hcs-  
367 HCS+ Thioformyl cation hcs+  
368 HNO- Nitrosyl hydride anion hno-  
369 NOH Hydroxyimidogen noh  
370 NOH+ O-protonated nitric oxide noh+  
371 HNS Sulfur imide hns  
372 HNS- Sulfur imide anion hns-  
373 HO2 Hydroperoxy radical ho2  
374 HO2- Hydroperoxy anion ho2-  
375 HS2 Thiosulfeno radical hs2  
376 HOCH hydroxycarbene hoch  
377 H2NO nitroxide h2no  
378 H2O2+ Hydrogen peroxide cation h2o2+  
379 CH2OH Hydroxymethyl radical ch2oh  
380 CH3O Methoxy radical ch3o  
381 CH3O+ Methoxy cation ch3o+  
382 CH3S thiomethoxy ch3s  
383 H2CSH+ Thioformaldehyde, protonated h2csh+  
384 NH3O Ammonia Oxide nh3o  
385 H2POH Phosphinous acid h2poh  
386 H3PO Phosphine oxide h3po  
387 H3O2+ hydrogen peroxide, protonated h3o2+  
388 CH3OH- Methyl alcohol anion ch3oh-  
389 CH3SH+ Methanethiol cation ch3sh+  
390 CH3SeH Methane selenol ch3seh  
391 H2OH2O water dimer h2oh2o  
392 CH3OH2+ Methanol, protonated ch3oh2+  
393 H2ONH3 Water Ammonia Dimer h2onh3  
394 LiCl- lithium chloride anion licl-  
395 LiCl+ lithium chloride cation licl+  
396 NaF sodium fluoride naf  
397 NaF- sodium fluoride anion naf-  
398 KF Potassium Fluoride kf  
399 NaCl Sodium Chloride nacl  
400 NaCl- sodium chloride anion nacl-  
401 NaCl+ sodium chloride cation nacl+  
402 KCl Potassium Chloride kcl  
403 CuF Copper monofluoride cuf  
404 LiBr- lithium bromide anion libr-  
405 LiBr+ lithium bromide cation libr+  
406 CuCl Copper monochloride cucl  
407 NaBr Sodium Bromide nabr  
408 NaBr- sodium bromide anion nabr-  
409 NaBr+ sodium bromide cation nabr+  
410 KBr Potassium Bromide kbr  
411 KI Potassium Iodide ki  
412 LiF- lithium fluoride anion lif-  
413 BeF Beryllium monofluoride bef  
414 BeF- Beryllium monofluoride anion bef-  
415 BeF+ Beryllium monofluoride cation bef+  
416 BeCl beryllium monochloride becl  
417 MgF Magnesium monofluoride mgf  
418 MgF- magnesium fluoride anion mgf-  
419 MgF+ magnesium fluoride cation mgf+  
420 CaF Calcium monofluoride caf  
421 MgCl magnesium monochloride mgcl  
422 MgCl- magnesium monochloride anion mgcl-  
423 MgCl+ magnesium monochloride cation mgcl+  
424 CaCl calcium monochloride cacl  
425 TiCl Titanium Monochloride ticl  
426 ZnF Zinc monofluoride znf  
427 ZnF- Zinc monofluoride anion znf-  
428 ZnF+ Zinc monofluoride cation znf+  
429 ZnCl Zinc monochloride zncl  
430 BeCl- beryllium monochloride anion becl-  
431 BeCl+ beryllium monochloride cation becl+  
432 BF- Boron monofluoride anion bf-  
433 BF+ Boron monofluoride cation bf+  
434 AlF- Aluminum monofluoride anion alf-  
435 AlF+ Aluminum monofluoride cation alf+  
436 BCl boron monochloride bcl  
437 BCl- boron monochloride anion bcl-  
438 BCl+ boron monochloride cation bcl+  
439 AlCl Aluminum monochloride alcl  
440 AlCl- aluminum monochloride anion alcl-  
441 AlCl+ aluminum monochloride cation alcl+  
442 ScF Scandium monofluoride scf  
443 BBr Boron monobromide bbr  
444 GaF+ Gallium monofluoride cation gaf+  
445 GaCl+ Gallium monochloride cation gacl+  
446 CF- carbon monofluoride anion cf-  
447 CF+ carbon monofluoride cation cf+  
448 CCl carbon monochloride ccl  
449 CCl- carbon monochloride anion ccl-  
450 CCl+ carbon monochloride cation ccl+  
451 SiF silicon monofluoride sif  
452 SiF- silicon monofluoride anion sif-  
453 SiF+ silicon monofluoride cation sif+  
454 SiCl- silicon monochloride anion sicl-  
455 SiCl+ silicon monochloride cation sicl+  
456 NF nitrogen fluoride nf  
457 NF- nitrogen monofluorine anion nf-  
458 NF+ nitrogen monofluoirde cation nf+  
459 NCl- nitrogen monochloride anion ncl-  
460 NCl+ nitrogen monochloride cation ncl+  
461 PF phosphorus monofluoride pf  
462 PF- phosphorus monofluoride anion pf-  
463 PF+ phosphorus monofluoride cation pf+  
464 PCl phosphorus chloride pcl  
465 PCl- phosphorus monochloride anion pcl-  
466 PCl+ phosphorus monochloride cation pcl+  
467 AsF Arsenic monofluoride asf  
468 NBr nitrogen monobromide nbr  
469 SbF Antimony monofluoride sbf  
470 SbCl Antimony monochloride sbcl  
471 FO Oxygen monofluoride fo  
472 FO- flourine oxide anion fo-  
473 FO+ fluorine monoxide cation fo+  
474 ClO- chlorine monoxide anion clo-  
475 SF- sulfur monofluoride anion sf-  
476 SCl sulfur monochloride scl  
477 SCl- sulfur monochloride anion scl-  
478 BrO- Bromine monoxide anion bro-  
479 SeF Selenium monofluoride sef  
480 ClF- clorine monofluoride anion clf-  
481 Cl2 Chlorine diatomic cl2  
482 Cl2- chlorine diatomic anion cl2-  
483 BrF- bromine fluoride anion brf-  
484 BrF+ bromine fluoride cation brf+  
485 BrCl- bromine chloride anion brcl-  
486 BrCl+ bromine chloride cation brcl+  
487 IF Iodine monofluoride if  
488 ICl Iodine monochloride icl  
489 IBr Iodine monobromide ibr  
490 I2 Iodine diatomic i2  
491 I2+ Iodine diatomic cation i2+  
492 HCCl Chloromethylene hccl  
493 CHBr bromomethylene chbr  
494 DOCl Hypochlorous acid-d docl  
495 HOBr Hypobromous acid hobr  
496 HOBr+ Hypobromous acid cation hobr+  
497 FHF Hydrogen difluoride fhf  
498 FHF- Hydrogen difluoride anion fhf-  
499 NH2F monofluoroamine nh2f  
500 H2F2 Hydrogen fluoride dimer h2f2  
501 CD3F methylfluoride-d3 cd3f  
502 CD3Cl methyl chloride d3 cd3cl  
503 CH3I methyl iodide ch3i  
504 Ne2 Neon diatomic ne2  
505 Ne2+ Neon diatomic cation ne2+  
506 Ar2+ Argon diatomic cation ar2+  
507 Li3 Lithium trimer li3  
508 Li3+ Lithium trimer cation li3+  
509 C3+ carbon trimer cation c3+  
510 C3H3 cyclopropenyl radical cpr  
511 C3H3 Propargyl radical propargyl  
512 C3H3- Propargyl anion c3h3-  
513 C3H3+ cyclopropenyl cation cpr+  
514 C3H3+ Propargyl cation c3h3+  
515 C3H5 Allyl radical allyl  
516 C3H5+ Allyl cation allyl+  
517 CH3CHCH 1-propenyl radical ch3chch  
518 Zn(CH3)2 dimethyl zinc dmz  
519 SiH2(CH3)2 dimethylsilane dms  
520 NaCN Sodium Cyanide nacn  
521 CuCN Copper cyanide cucn  
522 CN2 3H-Diazirin-3-ylidene cn2  
523 NCN Cyanoimidogen ncn  
524 N3- azide anion n3-  
525 HCCN cyanomethylene hccn  
526 HCNN diazomethyl radical hcnn  
527 CH2N2 diazirine ch2n2  
528 CH2NN diazomethane ch2nn  
529 NH2CN cyanamide cyanamide  
530 CH3CN+ Acetonitrile cation ch3cn+  
531 CH3NC methyl isocyanide ch3nc  
532 HNCNH2+ diiminomethane, protonated hncnh2+  
533 NCNH3+ Cyanamide, protonated ncnh3+  
534 CH2CHNH vinylazine ch2chnh  
535 CH3CHN methylmethaniminyl radical ch3chn  
536 NHCHNH2 aminomethanimine cn2h4  
537 C2H5N Aziridine c2h5n  
538 CH2CHNH2 aminoethene aminoethene  
539 CH2NCH3 N-methylmethanimine nmm  
540 CH3CHNH ethanimine ethanimine  
541 NH2BHNH2 diaminoborane nh2bhnh2  
542 C2H5NH+ Protonated Aziridine c2h5nh+  
543 NH2CH2NH2 diaminomethane nh2ch2nh2  
544 CH3NHCH3 Dimethylamine ch3nhch3  
545 NH2CH2NH3+ diaminoethane, protonated pdam  
546 (CH3)2NH2+ dimethylammonium cation dmam  
547 CH3CH2NH3+ ethylamine, protonated pea  
548 Li2O+ dilithium oxide cation li2o+  
549 Li2S dilithium sulfide li2s  
550 CCO Dicarbon monoxide cco  
551 CNO- fulminate cno-  
552 NCO- cyanate nco-  
553 SCN thiocyanato radical scn  
554 SCN- thiocyanide anion scn-  
555 BO2 Boron dioxide bo2  
556 BO2- Boron dioxide anion bo2-  
557 BO2+ Boron dioxide cation bo2+  
558 N2O- Nitrous oxide anion n2o-  
559 N2O+ Nitrous oxide cation n2o+  
560 NNS Nitrogen sulfide nns  
561 PPO Phosphorus oxide phosphide ppo  
562 CO2- Carbon dioxide anion co2-  
563 CO2+ Carbon dioxide cation co2+  
564 OCS+ Carbonyl sulfide cation cos+  
565 SiO2 silicon dioxide sio2  
566 CS2- Carbon disulfide anion cs2-  
567 CS2+ Carbon disulfide cation cs2+  
568 TiO2 Titanium dioxide tio2  
569 SiS2 Silicon disulfide sis2  
570 GeS2 Germanium disulfide ges2  
571 CSe2 Carbon diselenide cse2  
572 NO2- Nitrogen dioxide anion no2-  
573 PO2 Phosphorus dioxide po2  
574 PO2- Phosphorus dioxide anion po2-  
575 PO2+ Phosphorus dioxide cation po2+  
576 AsO2 Aresenic dioxide aso2  
577 O3- Ozone anion o3-  
578 O3+ Ozone cation o3+  
579 SO2- Sulfur dioxide anion so2-  
580 SO2+ Sulfur dioxide cation so2+  
581 S3- Sulfur trimer anion s3-  
582 S3+ Sulfur trimer cation s3+  
583 SeO2+ Selenium dioxide cation seo2+  
584 CS2H+ Carbon disulfide, protonated cs2h+  
585 HNCO Isocyanic acid hnco  
586 HOCN cyanic acid hocn  
587 HCO2- formate anion hco2-  
588 HNNO nitrosoazane hnno  
589 HNNO+ Nitrous oxide, N-protonated hnno+  
590 NNOH+ Nitrous Oxide, O-protonated nnoh+  
591 HCOO formate neutral radical hcoo  
592 HOCO+ Hydrocarboxyl cation hoco+  
593 HNO2 Nitrous acid hno2  
594 HNO2+ nitrous acid cation hno2+  
595 CH2CO+ Ketene cation ch2co+  
596 HCCOH ethynol hccoh  
597 Mg(OH)2 Magnesium dihydroxide h2mgo2  
598 NH2NO Nitrosamide nh2no  
599 CH2O2 Dioxirane diox  
600 H2O3 Hydrogen trioxide h2o3  
601 HSSSH trisulfane hsssh  
602 NaOCH3 Sodium methoxide naoch3  
603 CH2BOH hydroxy(methylene)borane ch2boh  
604 CH3BO Borane, methyloxo- ch3bo  
605 CH2CHO Vinyloxy radical ch2cho  
606 CH3CO Acetyl radical ch3co  
607 CH3CO- Acetyl anion ch3co-  
608 CH3CO+ acetyl cation ch3co+  
609 CH2NOH formaldoxime ch2noh  
610 CH3NO nitrosomethane ch3no  
611 CHONH2 formamide formamide  
612 CNOH3 1,2-oxaziridine cnoh3  
613 CH2OOH CH2OOH radical ch2ooh  
614 CH3OO methylperoxy radical ch3oo  
615 CH3OO- methylperoxy anion ch3oo-  
616 CH3OO+ methylperoxy cation ch3oo+  
617 CH2CHOH ethenol ch2choh  
618 H2CONH2+ protonated formamide h2conh2+  
619 NH3CHO+ Formamide, N-Protonated nh3cho+  
620 CH2(OH)2 methanediol ch2o2h2  
621 CH3OOH Methyl peroxide ch3ooh  
622 H2OH2CO water formaldehyde dimer h2oh2co  
623 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
624 CH3CH2O Ethoxy radical ethoxy  
625 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
626 CH3CHOH+ acetaldehyde, protonated ch3choh+  
627 CH3OCH2 methoxymethyl radical ch3och2  
628 CH3OHH2O methanol water dimer ch3ohh2o  
629 H2OCH3OH water methanol dimer h2och3oh  
630 CuF2 Copper difluoride cuf2  
631 ZnF2 Zinc difluoride znf2  
632 FCN Cyanogen fluoride fcn  
633 ClCN chlorocyanogen clcn  
634 BeF2 Beryllium fluoride bef2  
635 MgF2 Magnesium fluoride mgf2  
636 BeCl2 Beryllium chloride becl2  
637 MgCl2 Magnesium dichloride mgcl2  
638 CaCl2 Calcium Chloride cacl2  
639 ZnCl2 Zinc dichloride zncl2  
640 CaF2 Calcium difluoride caf2  
641 FCO Carbonyl fluoride fco  
642 FCO+ Carbonyl fluoride cation fco+  
643 ClCO carbonyl monochloride clco  
644 BrNO Nitrosyl bromide brno  
645 CF2- Difluoromethylene anion cf2-  
646 CF2+ Difluoromethylene cation cf2+  
647 SiF2+ Silicon difluoride cation sif2+  
648 CCl2 dichloromethylene ccl2  
649 CCl2- dichloromethylene anion ccl2-  
650 CCl2+ dichloromethylene cation ccl2+  
651 SiCl2 Dichlorosilylene sicl2  
652 GeF2 Germanium difluoride gef2  
653 FOO Dioxygen monofluoride radical foo  
654 ClOO chloroperoxy radical cloo  
655 ClOO+ chloroperoxy cation cloo+  
656 OClO+ Chlorine dioxide cation oclo+  
657 ClS2 Sulfur chloride cls2  
658 NF2 Difluoroamino radical nf2  
659 NF2+ Difluoroamino cation nf2+  
660 F2O Difluorine monoxide f2o  
661 SF2- sulfur difluoride anion sf2-  
662 SF2+ sulfur difluoride cation sf2+  
663 Cl2O Dichlorine monoxide cl2o  
664 SCl2 Sulfur dichloride scl2  
665 BrOCl Bromine hypochlorite brocl  
666 BrOBr Bromine oxide brobr  
667 F3- trifluoride anion f3-  
668 Cl3- trichloride anion cl3-  
669 HCCF+ fluoroacetylene cation hccf+  
670 HCCCl Chloroacetylene hcccl  
671 HFCO formyl fluoride hfco  
672 HFCO+ formyl fluoride cation hfco+  
673 COHCl Formyl chloride cohcl  
674 COHBr Formyl bromide cohbr  
675 BHF2 Difluoroborane bhf2  
676 BHCl2 Borane, dichloro- bhcl2  
677 CHCl2 dichloromethyl radical chcl2  
678 HOClO Chlorous acid hoclo  
679 CH2FCl fluorochloromethane ch2fcl  
680 SiH2Cl2 dichlorosilane sih2cl2  
681 CH2CHF+ fluoroethene cation ch2chf+  
682 C2H3Cl Ethene, chloro- ch2chcl  
683 C2H3Br vinyl bromide c2h3br  
684 CH3OCl methyl hypochlorite ch3ocl  
685 C2H5F fluoroethane c2h5f  
686 CH3CH2Cl Ethyl chloride c2h5cl  
687 CH3SiFH2 fluoromethylsilane ch3sifh2  
688 KrF2 Krypton difluoride krf2  
689 B4H10 Tetraborane(10) b4h10  
690 C4+ Carbon tetramer cation c4+  
691 C4H2 Diacetylene c4h2  
692 C2H3CCH 1-Buten-3-yne c2h3cch  
693 C4H4 cyclobutadiene cbd  
694 H2CCCCH2 Butatriene h2cccch2  
695 C4H6 Cyclobutene c822355  
696 C4H6 Methylenecyclopropane c6142730  
697 CH2CCHCH3 1,2-Butadiene butad12  
698 CH2CHCHCH2 1,3-Butadiene c106990  
699 CH3CCCH3 2-Butyne c503173  
700 CHCCH2CH3 1-Butyne c107006  
701 CH3CHCHCH2 methylallyl radical c4h7  
702 C4H8 methylcyclopropane mcp  
703 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
704 CH3CHCHCH3 2-Butene, (E)- bute2e  
705 CH3CHCHCH3 2-Butene, (Z)- bute2z  
706 B(CH3)3 trimethylborane bme3  
707 Al(CH3)3 trimethyl aluminum tma  
708 C(CH3)3 Tert-butyl radical tbutyl  
709 CH2CH(CH3)2 Isobutyl radical isobutyl  
710 CH3CHCH2CH3 2-Butyl radical butyl2  
711 CH3CH(CH3)CH3 Isobutane isobutane  
712 SiH(CH3)3 trimethylsilane trimsi  
713 Li3N trilithium nitride li3n  
714 C2N2 Cyanogen c2n2  
715 C2N2+ Cyanogen cation c2n2+  
716 P4 Phosphorus tetramer p4  
717 HCCCN Cyanoacetylene hcccn  
718 C3H3N acrylonitrile ch2chcn  
719 C3H3N+ acrylonitrile cation ch2chcn+  
720 CH3N3 methyl azide ch3n3  
721 CH3NHN2+ methyl azide, protonated ch3nhn2+  
722 CH5N3 Guanidine guanidine  
723 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
724 CH6N3+ guanidinium ch6n3+  
725 C3H7N Cyclopropylamine cpram  
726 C3H7N Azetidine azet  
727 C4H8 cyclobutane cbutane  
728 C2H8N2 Ethylenediamine ethdiam  
729 CH3NHNHCH3 dimethyl hydrazine dmh  
730 CH3CH(NH2)CH3 2-Propanamine pram2  
731 N(CH3)3 Trimethylamine trimeam  
732 P(CH3)3 trimethylphosphine tmp  
733 As(CH3)3 trimethyl arsine tmas  
734 Li2O2 dilithium dioxide li2o2  
735 Na2O2 disodium dioxide na2o2  
736 B2O2 Diboron dioxide b2o2  
737 CO3 Carbon trioxide co3  
738 CO3-- carbonate co3--  
739 NO3 Nitrogen trioxide no3  
740 NO3- nitrate anion no3-  
741 NO3+ nitrogen trioxide cation no3+  
742 SO3- Sulfur trioxide anion so3-  
743 SO3+ Sulfur trioxide cation so3+  
744 SeO3 selenium trioxide seo3  
745 HCO3- bicarbonate anion hco3-  
746 HSO3 Hydroxysulfonyl radical hso3  
747 NH2NO2 nitramide nh2no2  
748 C2H2CO cyclopropenone c2h2co  
749 HCCCHO 2-propynal hcccho  
750 C2H2O2+ Ethanedial cation c2h2o2+  
751 H2CO3 Carbonic acid h2co3  
752 H2CS3 thiocarbonic acid h2cs3  
753 H2NO3+ Nitric Acid, Protonated h2no3+  
754 H2SO3 Sulfurous acid h2so3  
755 CH3COO- acetate anion ch3coo-  
756 CH3ONO Methyl nitrite ch3ono  
757 NH2COOH Carbamic acid nh2cooh  
758 H3BO3 Boric acid h3bo3  
759 H3CO3+ carbonic acid, protonated h3co3+  
760 C3H4O 2-Propyn-1-ol c107197  
761 C3H4O allenol c9000071  
762 C3H4O Cyclopropanone cpone  
763 C3H4O Methylketene c6004440  
764 NH2CONH2 Urea urea  
765 NH2CONH2+ Urea cation urea+  
766 NH2CSNH2 Thiourea thiourea  
767 C2H4O2 1,3-dioxetane c2h4o2  
768 CH3COOH Acetic acid ch3cooh  
769 CH3OCHO methyl formate ch3ocho  
770 CHOCH2OH hydroxy acetaldehyde haa  
771 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
772 NH3COOH+ protonated Carbamic acid nh3cooh+  
773 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
774 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
775 HCOOHH2O Formic acid water dimer hcoohh2o  
776 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
777 CH3COCH2 Acetonyl radical ch3coch2  
778 CH3CHNOH Acetaldoxime acetaldoxime  
779 CH3CONH2 Acetamide acetamide  
780 HCONHCH3 N-methylformamide nmfa  
781 CH5N2O+ urea, N-protonated ch4n2o+  
782 H2NCOHNH2+ urea, protonated ureah+  
783 C2H5OO ethylperoxy radical c2h5oo  
784 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
785 C3H6O 2-Propen-1-ol c107186  
786 C3H6O Oxetane oxetane  
787 C3H6O Propylene oxide prox  
788 CH3COCH3- acetone anion ch3coch3-  
789 C3H6S Thietane thietane  
790 C3H6S Thiirane, methyl- methiirane  
791 CH3CSCH3 Thioacetone ch3csch3  
792 C2H6O2 1,2-Ethanediol ethdiol  
793 CH3OOCH3 dimethylperoxide dmp  
794 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
795 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
796 CH3COHCH3+ acetone, protonated acetoneh+  
797 HOCH2CH2NH2 monoethanolamine mea  
798 CH3CHOHCH3 Isopropyl alcohol isoproh  
799 CH3OC2H5 Ethane, methoxy- etome  
800 C3H7SH 1-Propanethiol prsh  
801 CH3CHSHCH3 2-Propanethiol isoprsh  
802 CH3SCH2CH3 Ethane, (methylthio)- etsme  
803 H2OCH3OCH3 water dimethylether dimer h2och3och3  
804 Na2F2 Sodium Fluoride Dimer na2f2  
805 Na2Cl2 Disodium dichloride na2cl2  
806 C2F2 difluoroacetylene c2f2  
807 C2Cl2 dichloroacetylene c2cl2  
808 C2Cl2+ dichloroacetylene cation c2cl2+  
809 ClNO2 Nitryl chloride clno2  
810 ClONO chlorine nitrite clono  
811 BrONO Bromine nitrite brono  
812 N2F2 (Z)-Difluorodiazene n2f2_z  
813 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
814 COFCl Carbonic chloride fluoride cofcl  
815 CCl2O Phosgene cl2co  
816 Cl2CS Thiophosgene cl2cs  
817 COBr2 Carbonic dibromide cobr2  
818 BF3 Borane, trifluoro- bf3  
819 BF3- Borane, trifluoro- anion bf3-  
820 AlF3 Aluminum trifluoride alf3  
821 AlF2Cl Aluminum chloride difluoride alclf2  
822 ScF3 Scandium trifluoride ScF3  
823 AlFCl2 Aluminum dichloride fluoride alcl2f  
824 AlCl3 Aluminum trichloride alcl3  
825 BBr3 Boron tribromide bbr3  
826 AlBr3 Aluminum Bromide albr3  
827 ClO3 Chlorine trioxide clo3  
828 ClO3- chlorate anion clo3-  
829 BrO3- Bromate anion bro3-  
830 CF3 Trifluoromethyl radical cf3  
831 CF3- Trifluoromethyl anion cf3-  
832 CF3+ Trifluoromethyl cation cf3+  
833 SiF3 Silicon trifluoride radical sif3  
834 SiF3+ Silicon trifluoride cation sif3+  
835 CCl3 Trichloromethyl radical ccl3  
836 CCl3- Trichloromethyl anion ccl3-  
837 CCl3+ Trichloromethyl cation ccl3+  
838 SiCl3 trichlorosilyl radical sicl3  
839 SiCl3+ trichlorosilyl cation sicl3+  
840 FOOF Perfluoroperoxide foof  
841 ClO2F Chloryl fluoride clo2f  
842 F2SO Thionyl Fluoride f2so  
843 ClOOCl Dichlorine dioxide cloocl  
844 FSSF Difluorodisulfane fssf  
845 S2F2 Thio-thionyl fluoride s2f2  
846 SOCl2 thionyl chloride socl2  
847 SeOCl2 selenium oxychloride seocl2  
848 NF3- Nitrogen trifluoride anion nf3-  
849 NF3+ Nitrogen trifluoride cation nf3+  
850 PF3 Phosphorus trifluoride pf3  
851 AsF3 Arsenic trifluoride asf3  
852 PCl3 Phosphorus trichloride pcl3  
853 AsCl3 Arsenous trichloride ascl3  
854 PBr3 Phosphorus tribromide pbr3  
855 AsBr3 Arsenic tribromide asbr3  
856 ClSSCl Disulfur dichloride s2cl2  
857 SF3 Sulfur trifluoride sf3  
858 ClF3 Chlorine trifluoride clf3  
859 BrF3 Bromine trifluoride brf3  
860 CHF2Cl difluorochloromethane chf2cl  
861 CHFCl2 fluorodichloromethane chfcl2  
862 CDCl3 trichloromethane-d cdcl3  
863 SiHCl3 Trichlorosilane sihcl3  
864 CHCl2I dichloroiodomethane chcl2i  
865 CHClBr2 Methane, dibromochloro- chclbr2  
866 CHBr3 bromoform chbr3  
867 CHI3 Iodoform chi3  
868 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
869 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
870 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
871 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
872 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
873 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
874 C2H2Br2 1,1-dibromoethene c2h2br2  
875 CH2FCHO Fluoroacetaldehyde ch2fcho  
876 CH3COF Acetyl fluoride ch3cof  
877 CH2ClCHO chloroacetaldehyde ch2clcho  
878 CH3COCl Acetyl Chloride ch3cocl  
879 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
880 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
881 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
882 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
883 CH2CFCH3 2-fluoropropene 2fpro  
884 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
885 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
886 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
887 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
888 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
889 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
890 CH3CH2CH2Br n-propyl bromide prbr  
891 CH3CHBrCH3 i-propyl bromide iprbr  
892 C3H9O+ trimethyl oxonium cation c3h9o+  
893 C5H5 cyclopentadienyl radical c5h5  
894 C5H5- cylopentadienyl anion c5h5-  
895 C5H6 1,3-Cyclopentadiene c542927  
896 C5H6 1-Buten-3-yne, 2-methyl- c78808  
897 C5H6 3-Penten-1-yne, (E)- c2004695  
898 C5H6 3-Penten-1-yne, (Z)- c1574409  
899 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
900 C5H6 Cyclopropylacetylene c6746947  
901 C5H7 1,3-pentadienyl radical pdyl  
902 C5H7 cyclopentenyl radical cpyl  
903 C5H8 1,2-Butadiene, 3-methyl- c598254  
904 C5H8 1,2-Pentadiene c591957  
905 C5H8 1,3-Butadiene, 2-methyl- c78795  
906 C5H8 1,3-Pentadiene, (E)- c2004708  
907 C5H8 1,3-Pentadiene, (Z)- c1574410  
908 C5H8 1,4-Pentadiene c591935  
909 C5H8 1-pentyne a1pentyne  
910 C5H8 2,3-Pentadiene c591968  
911 C5H8 Cyclobutane, methylene- c1120565  
912 C5H8 Cyclopentene c142290  
913 C5H8 Ethenylcyclopropane c693867  
914 CH3CCCH2CH3 2-Pentyne 2pentyne  
915 C5H10 1-Butene, 2-methyl- c563462  
916 C5H10 2-Butene, 2-methyl- c513359  
917 C5H10 2-Pentene, (E)- c646048  
918 C5H10 2-Pentene, (Z)- c627203  
919 C5H10 Cyclopentane c287923  
920 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
921 CH2CHCH2CH2CH3 1-pentene pentene  
922 C5H11 2-Methylbut-2-yl radical c4348350  
923 C5H12 Butane, 2-methyl- buta2  
924 C5H12 Pentane pentane  
925 C5H12 Propane, 2,2-dimethyl- neopentane  
926 Si(CH3)4 tetramethylsilane tms  
927 N2O3 Dinitrogen trioxide n2o3  
928 C3H2N2 Malononitrile c3h2n2  
929 CH2N4 1H-Tetrazole 1htz  
930 C3H3N2 imidazolyl radical im  
931 C3H3N2- imidizolyl anion im-  
932 C2H3N3 1H-1,2,4-Triazole c288880  
933 C4H4N pyrrolide radical c4h4n  
934 C4H4N- pyrrolide anion c4h4n-  
935 C3H4N2 1H-Imidazole 1himidaz  
936 C3H4N2 1H-Pyrazole 1hpyraz  
937 C3H4N2 4H-Imidazole imid4h  
938 C4H5N (E)-2-Butenenitrile c627269  
939 C4H5N (Z)-2-Butenenitrile c1190767  
940 C4H5N 2H-pyrrole pyrrole2  
941 C4H5N 3H-pyrrole pyrrole3  
942 C4H5N Cyclopropanecarbonitrile c5500210  
943 CH2CHCH2CN Allylcyanide ch2chch2cn  
944 C4H6N+ pyrrole, alpha-protonated appyr  
945 C4H6N+ pyrrole, protonated ppyr  
946 C3H6N2 3-Aminopropionitrile c151188  
947 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
948 CH3CH2CH2CN Butanenitrile c109740  
949 C5H8 Bicyclo[2.1.0]pentane c185944  
950 C5H8 Spiropentane c157404  
951 C4H9N Cyclobutylamine cbam  
952 C4H9N Pyrrolidine pyrrolidine  
953 C3H10N2 1,2-Diaminopropane diampr12  
954 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
955 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
956 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
957 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
958 NH(C2H5)2 diethylamine dea  
959 NC4H12+ tetramethyl ammonium cation nc4h12+  
960 C3O2+ Carbon suboxide cation c3o2+  
961 MgCO3 Magnesium Carbonate mgco3  
962 BeCO3 Beryllium Carbonate beco3  
963 CaCO3 Calcium Carbonate caco3  
964 ONONO Nitrosyl nitrite onono  
965 PO4--- phosphate po4---  
966 SO4-- sulfate so4--  
967 HOONO2 peroxy nitric acid hoono2  
968 HSO4- bisulfate anion hso4-  
969 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
970 C3H2O2 Propiolic acid c3h2o2  
971 CHOCOOH oxo acetic acid oaa  
972 H2SO4 Sulfuric acid h2so4  
973 H2SeO4 Selenic acid h2seo4  
974 C3H3NO Oxazole oxazole  
975 CH3C(O)OO acetyl peroxy radical ch3coo2  
976 CH3NO3 Methyl nitrate ch3no3  
977 H3PO4 Phosphoric Acid h3po4  
978 C4H4O+ Furan cation furan+  
979 C4H4S Thiophene furans  
980 C3H4O2 β–Propiolactone beta  
981 C3H4O2 2-Propenoic acid propenoic2  
982 C3H4O2 Methyl glyoxal megly  
983 C3H4O2 propanedial propanedial  
984 C3H4O2 propenalol propenalol  
985 HOCHCCHOH allenediol aldiol  
986 C2H4O3 1,2,3-trioxolane c2h4o3  
987 C2H4O3 trioxolane124 triox  
988 HOCH2COOH Hydroxyacetic acid hac  
989 CH2CHCONH2 Acrylamide c79061  
990 CH3OCH2CN Methoxyacetonitrile c1738369  
991 CH5N3S Hydrazinecarbothioamide c79196  
992 H2NCH2COOH Glycine glycine  
993 C4H6O cis-2-butenal butenal2c  
994 C4H6O Cyclobutanone cbutone  
995 C4H6O Furan, 2,3-dihydro- furan23h  
996 C4H6O Furan, 2,5-dihydro- furan25h  
997 CH2CHOCHCH2 Vinyl ether vinylether  
998 CHOCHCHCH3 2-Butenal butenal2  
999 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1000 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1001 C2H6N2O Urea, methyl- c598505  
1002 C3H6O2 1,3-Dioxolane dioxolane  
1003 CH3CH2COOH Propanoic Acid propanoic  
1004 CH3COOCH3 methyl acetate aame  
1005 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1006 C3H7NO dimethylformamide dmf  
1007 C3H7NO Propanamide propanam  
1008 C2H3OC2H5 Ethene, ethoxy- c109922  
1009 C4H8O Cyclobutanol c2919235  
1010 C4H8O Furan, tetrahydro- thf  
1011 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1012 CH3COCH2CH3 2-Butanone buta2one  
1013 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1014 CHOCH2CH2CH3 Butanal butanal  
1015 C3H8O2 1,3-Propanediol c504632  
1016 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1017 C3H8O2 Methane, dimethoxy- c109875  
1018 C3H8O2 Propylene glycol c57556  
1019 C3H8S2 1,3-Propanedithiol c109808  
1020 C4H10O 1-Butanol butanol1  
1021 C4H10O 1-Propanol, 2-methyl- c78831  
1022 C4H10O 2-Butanol, (.+/-.)- butanol2  
1023 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1024 C4H10O Propane, 2-methoxy- c598538  
1025 C4H10O+ 1-Butanol cation butanol1+  
1026 C2H5SC2H5 Diethyl sulfide etset  
1027 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1028 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1029 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1030 FNO3 Fluorine nitrate fno3  
1031 ClONO2 Chlorine nitrate clono2  
1032 BrONO2 Bromine nitrate brono2  
1033 TiCl4 Titanium tetrachloride ticl4  
1034 ClO4- perchlorate anion clo4-  
1035 BF4- tetrafluoroboron anion bf4-  
1036 ClFO3 Perchloryl fluoride clfo3  
1037 SO2F2 Sulfuryl fluoride so2f2  
1038 SO2Cl2 Sulfuryl chloride so2cl2  
1039 F3NO Nitrogen trifluoride oxide f3no  
1040 F3PO Phosphoryl fluoride pf3o  
1041 Cl3PO Phosphoryl chloride pcl3o  
1042 CF4 Carbon tetrafluoride cf4  
1043 SiF4 Silicon tetrafluoride sif4  
1044 TiF4 Titanium tetrafluoride tif4  
1045 CFCl3 Trichloromonofluoromethane cfcl3  
1046 CCl4+ Carbon tetrachloride cation ccl4+  
1047 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1048 SiCl4 Silane, tetrachloro- sicl4  
1049 CF3I trifluoroiodomethane cf3i  
1050 CBrCl3 Methane, bromotrichloro- cbrcl3  
1051 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1052 GeCl4 Germanium Tetrachloride gecl4  
1053 CFBr3 fluorotribromomethane cfbr3  
1054 CBr3I tribromoiododmethane cbr3i  
1055 ClOF3 Chlorine trifluoride oxide clof3  
1056 C2HF3 Trifluoroethylene c2hf3  
1057 C2HF3+ Trifluoroethylene cation c2hf3+  
1058 CHClCCl2 Trichloroethylene chclccl2  
1059 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1060 HClO4 perchloric acid hclo4  
1061 HSO3F Fluorosulfonic acid hso3f  
1062 CF3OH trifluoromethanol cf3oh  
1063 CHClCCHCl 1,3-dichloroallene chclcchcl  
1064 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1065 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1066 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1067 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1068 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1069 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1070 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1071 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1072 NH3BCl3 Amminetrichloroboron nh3bcl3  
1073 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1074 C3H5ClO Oxirane, (chloromethyl)- c106898  
1075 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1076 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1077 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1078 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1079 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1080 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1081 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1082 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1083 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1084 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1085 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1086 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1087 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1088 C4H9F 1-fluorobutane butaf1  
1089 CH3CHFCH2CH3 2-fluorobutane butaf2  
1090 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1091 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1092 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1093 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1094 C6H2 hexatriyne c6h2  
1095 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1096 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1097 C6H4 Benzyne benzyne  
1098 C6H5 phenyl phenyl  
1099 C6H5- phenyl anion phenyl-  
1100 C6H6 2,4-Hexadiyne hexadiyne  
1101 C6H6 3,4-Dimethylenecyclobutene cb34m  
1102 C6H6 Hexa-1,5-diene-3-yne hdy153  
1103 C6H6 Trimethylenecycopropane tmcp  
1104 C6H6+ Benzene cation c6h6+  
1105 C6H8 (E)-hexa-1,3,5-triene c821078  
1106 C6H8 (E)-hexa-2,3,4-triene c59660650  
1107 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1108 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1109 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1110 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1111 C6H8 3-Methylenecyclopentene c930267  
1112 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1113 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1114 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1115 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1116 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1117 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1118 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1119 C6H10 1,5-Hexadiene c592427  
1120 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1121 C6H10 1-Hexyne hexyne1  
1122 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1123 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1124 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1125 C6H10 2-Hexyne c764352  
1126 C6H10 3-Hexyne hexyne3  
1127 C6H10 cyclohexene cyclohexene  
1128 C6H10 Cyclopentene, 1-methyl- c693890  
1129 C6H10 Cyclopentene, 3-methyl- c1120623  
1130 C6H10 Cyclopentene, 4-methyl- c1759815  
1131 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1132 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1133 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1134 C6H12 (E)-2-Hexene e2hexene  
1135 C6H12 (E)-3-methylpent-2-ene c616126  
1136 C6H12 (E)-hex-3-ene e3hexene  
1137 C6H12 (Z)-3-methylpent-2-ene c922623  
1138 C6H12 (Z)-hex-2-ene z2hexene  
1139 C6H12 (Z)-hex-3-ene z3hexene  
1140 C6H12 2,3-dimethylbut-1-ene c563780  
1141 C6H12 2,3-dimethyl-but-2-ene tmeet  
1142 C6H12 3-methylenepentane c760214  
1143 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1144 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1145 C6H12 Cyclohexane cyclohexane  
1146 C6H12 Cyclopentane, methyl- c96377  
1147 C6H12 Ethylcyclobutane c4806615  
1148 C6H12 hex-1-ene hexene1  
1149 C6H14 Butane, 2,2-dimethyl- buta22  
1150 C6H14 Butane, 2,3-dimethyl- buta23  
1151 C6H14 Hexane hexane  
1152 C6H14 Pentane, 2-methyl- penta2  
1153 C6H14 Pentane, 3-methyl- penta3  
1154 C4N2 2-Butynedinitrile c4n2  
1155 C4H2N2 Fumaronitrile c4h2n2  
1156 C2H2N4 sym-tetrazine ttz  
1157 C3H3N3 1,3,5-Triazine triazine135  
1158 CH3N5 5-Aminotetrazole c4418615  
1159 C4H4N2 1,3-Diazine diazine13  
1160 C4H4N2 Pyrazine pyrazine  
1161 C4H4N2 Pyridazine pyridazine  
1162 C4H4N2 Succinonitrile c110612  
1163 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1164 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1165 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1166 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1167 C5H5N E-2,4-pentadienenitrile bdcn  
1168 C5H5N Pyridine pyridine  
1169 B3N3H6 borazine borazine  
1170 C6H6 Fulvene fulvene  
1171 C5H6N+ Pyridinium c5h6n  
1172 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1173 C5H7N (E)-2-Pentenenitrile c26294984  
1174 C5H7N (E)-3-Pentenenitrile c16529661  
1175 C5H7N (Z)-2-Pentenenitrile c25899507  
1176 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1177 C5H7N Cyclobutanecarbonitrile c4426113  
1178 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1179 C5H9N Butanenitrile, 2-methyl- c18936179  
1180 C5H9N Pentanenitrile c110598  
1181 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1182 C6H10 Bicyclo[3.1.0]hexane c285585  
1183 C5H11N Cyclopentanamine cypentam  
1184 C5H11N Piperidine piper  
1185 C4H12N2 1,2-Butanediamine c4426486  
1186 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1187 Li2CO3 Lithium Carbonate li2co3  
1188 Na2CO3 Sodium Carbonate na2co3  
1189 C2O4-- oxalate anion c2o4  
1190 C2H2O4 Oxalic Acid oxalic  
1191 C2H3NO3 Oxamic acid oxamic  
1192 C4H4O2 2(5H)-Furanone furanone  
1193 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1194 C2H4N2O2 Oxalamide oxalamide  
1195 C2H4N2S2 Ethanedithioamide c79403  
1196 C2H4CO3 Ethylene carbonate etco3  
1197 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1198 C3H4S3 1,3-Dithiolane-2-thione c822388  
1199 C4H5NO 3-Methylisoxazole isox3m  
1200 C4H5NO Isoxazole, 5-methyl- c5765446  
1201 C4H5NS 4-Methylthiazole c693958  
1202 C2H5NO3 Nitric acid, ethyl ester c625581  
1203 C5H6O 2-methylfuran furan2m  
1204 C5H6O 3-Methylfuran furan3m  
1205 C5H6S Thiophene, 2-methyl- c554143  
1206 C5H6S Thiophene, 3-methyl- c616444  
1207 C4H6O2 2,3-Butanedione c431038  
1208 C4H6O2 2-Propenoic acid, methyl ester c96333  
1209 C4H6O2 Crotonic Acid crot  
1210 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1211 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1212 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1213 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1214 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1215 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1216 C4H6OS Vinyl sulfoxide c1115157  
1217 CH6N4S Carbonothioic dihydrazide thiacarb  
1218 C2H6N2O2 (E)-Azodioxymethane c37765154  
1219 C2H6N2O2 Dimethylnitroamine c4164287  
1220 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1221 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1222 C4H7NO 2-Pyrrolidinone c616455  
1223 C4H7NO Ethoxyacetonitrile etoaccn  
1224 C4H7NO Methacrylamide c79390  
1225 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1226 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1227 C3H7ONO Propyl nitrite prono  
1228 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1229 CH3CH(NH2)COOH Alanine alanine  
1230 CH3NHCH2COOH Sarcosine sarcosine  
1231 NH2CH2CH2COOH β–alanine betaalanine  
1232 NH2COOC2H5 Urethane urethane  
1233 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1234 C5H8O Cyclopentanone c120923  
1235 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1236 C5H8O Methyl cyclopropyl ketone c765435  
1237 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1238 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1239 NH2CONHC2H5 Urea, ethyl- c625525  
1240 C4H8O2 1,3-Dioxane dioxan13  
1241 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1242 C4H8O2 1,4-Dioxane dioxan14  
1243 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1244 C4H8OS s-Ethyl thioacetate c625605  
1245 C3H8O3 1,2,3-Propanetriol glycerin  
1246 C3H8O2S (Methylsulfonyl)ethane c594434  
1247 C4H9NO Butanamide c541355  
1248 C4H9NO Propanamide, 2-methyl- c563837  
1249 C5H10O 2-Butanone, 3-methyl- c563804  
1250 C5H10O 2H-Pyran, tetrahydro- c142687  
1251 C5H10O 2-methylbutyraldehyde 2meba  
1252 C5H10O 2-Pentanone mpk  
1253 C5H10O Cyclopentanol c96413  
1254 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1255 C5H10O Pentanal pal  
1256 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1257 C5H10S 3-Ethylthio-1-propene c5296628  
1258 C5H10S Cyclopentanethiol c1679078  
1259 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1260 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1261 C4H10O2 1,1-Dimethoxyethane c534156  
1262 C4H10O2 1,3-Butanediol budiol13  
1263 C4H10O2 1,4-Butanediol budiol14  
1264 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1265 C4H10OS Diethyl sulfoxide c70291  
1266 C4H10S2 1,4-Butanedithiol budisl14  
1267 C4H11NO Diethylhydroxylamine c3710847  
1268 C5H12O 1-Butanol, 2-methyl- c137326  
1269 C5H12O 1-Butanol, 3-methyl- c123513  
1270 C5H12O 1-Pentanol pentanol1  
1271 C5H12O 2-Butanol, 3-methyl- c598754  
1272 C5H12O 2-Pentanol peol2  
1273 C5H12O 3-Pentanol pentan3ol  
1274 C5H12O Butane, 1-methoxy- meobu  
1275 C5H12O Propane, 1-ethoxy- proet  
1276 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1277 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1278 C5H12S 1-Butanethiol, 3-methyl- c541311  
1279 C5H12S 1-Pentanethiol c110667  
1280 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1281 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1282 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1283 C5H12S Butane, 1-(methylthio)- c628295  
1284 C5H12S Ethyl propyl sulfide c4110503  
1285 C5H12S Propane, 2-(ethylthio)- c5145993  
1286 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1287 CF3CN Acetonitrile, trifluoro- cf3cn  
1288 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1289 B2F4 Diboron tetrafluoride b2f4  
1290 B2Cl4 Diboron tetrachloride b2cl4  
1291 C2F4 Tetrafluoroethylene c2f4  
1292 C2F4+ Tetrafluoroethylene cation c2f4+  
1293 CF2CCl2 difluorodichloroethylene cf2ccl2  
1294 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1295 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1296 C2FCl3 fluorotrichloroethene c2fcl3  
1297 C2Cl4 Tetrachloroethylene c2cl4  
1298 CF3OF Trifluoromethylhypofluorite cf3of  
1299 SOF4 Sulfur tetrafluoride oxide sof4  
1300 AsF5 Arsenic pentafluoride asf5  
1301 PCl5 Phosphorus pentachloride pcl5  
1302 SF5 Sulfur pentafluoride sf5  
1303 SF5+ pentafluoro sulfur cation sf5+  
1304 SbCl5 Antimony pentachloride sbcl5  
1305 BrF5 bromine pentafluoride brf5  
1306 ClF5 chlorinepentafluoride clf5  
1307 CF3CHO trifluoroacetaldehyde cf3cho  
1308 CCl3CHO trichloroacetaldehyde ccl3cho  
1309 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1310 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1311 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1312 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1313 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1314 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1315 CF3COOH trifluoroacetic acid cf3cooh  
1316 C4H3ClO Furan, 2-chloro fur2cl  
1317 C4H3ClO Furan,3-chloro fur3cl  
1318 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1319 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1320 C4H8Cl2 1,4-Dichlorobutane c110565  
1321 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1322 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1323 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1324 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1325 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1326 C5H11Cl Pentane, 1-chloro- pencl1  
1327 C6H5CH2 benzyl radical benzyl  
1328 C6H5CH3 toluene toluene  
1329 C7H8 cycloheptatriene cht  
1330 C7H8 Norbornadiene norbor  
1331 C7H8 Quadricyclane qucy  
1332 C7H12 Norbornane nor  
1333 C7H14 cycloheptane c7h14  
1334 C7H16 2-methylhexane 2mhex  
1335 C7H16 3-methylhexane hex3m  
1336 C7H16 heptane heptane  
1337 C6H7N 2-Methylpyridine mp  
1338 C6H5NH2 aniline aniline  
1339 C6H13N 2-Methylpiperidine pip2m  
1340 C6H13N cyclohexanamine cham  
1341 C6H15N triethylamine tea  
1342 N2O5 Dinitrogen pentoxide n2o5  
1343 C4H2O3 Maleic Anhydride malan  
1344 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1345 C6H5O phenoxy radical phenoxy  
1346 C5H5NO 2(1H)-Pyridinone c72762006  
1347 C5H5NO 2(3H)-Pyridinone c9000048  
1348 C5H5NO 2(5H)-Pyridinone c9000037  
1349 C5H5NO 2-Pyridinol c109104  
1350 C5H5NO 3(2H)-Pyridinone c9000004  
1351 C5H5NO 3(4H)-Pyridinone c9000026  
1352 C5H5NO 3(6H)-Pyridinone c9000015  
1353 C5H5NO 3-Pyridinol c109002  
1354 C5H5NO 4(1H)-Pryidinone c9000060  
1355 C5H5NO 4(3H)-Pryidinone c9000059  
1356 C5H5NO 4-Pyridinol c626642  
1357 C6H5OH phenol phenol  
1358 C6H6O 2,4-Cyclohexadienone c24599573  
1359 C6H6O 2,5-Cyclohexadienone c5664335  
1360 C6H5SH Benzenethiol phsh  
1361 HO2CCHNH2CH2OH Serine serine  
1362 C5H8O2 Acetylacetone acac  
1363 C4H8O2S Sulfolane sulfolane  
1364 CH(C2H3)3 trivinyl methane tvm  
1365 C6H10O cyclohexanone chexo  
1366 C6H12O hexanal c6h12o  
1367 C3H7OC3H7 di-n-propyl ether propr  
1368 CF3COO- trifluoro acetate anion cf3coo-  
1369 CF3COF trifluoroacetyl fluoride cf3cof  
1370 CF3COCl trifluoroacetyl chloride cf3cocl  
1371 PF6 Hexafluorophosphate neutral pf6  
1372 PF6- Hexafluorophosphate ion pf6-  
1373 SeF6 Selenium hexafluoride sef6  
1374 SF5Cl sulfur chloropentafluoride sf5cl  
1375 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1376 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1377 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1378 CCl3CHCl2 pentachloroethane ccl3chcl2  
1379 C6H5F Fluorobenzene bzf  
1380 C6H5Cl chlorobenzene bzcl  
1381 C6H5Br bromobenzene bzbr  
1382 C8H6 Calicene calicene  
1383 C6H5CCH phenylacetylene phac  
1384 C8H6 benzocyclobutadiene bcbd  
1385 C8H6 Pentalene pentalene  
1386 C6H5CHCH2 Styrene styrene  
1387 C8H8 cyclooctatetraene cot  
1388 C6H5CH2CH3 Ethylbenzene etbz  
1389 CH3C6H4CH3 meta-xylene mxylene  
1390 CH3C6H4CH3 paraxylene pxylene  
1391 C8H14 Bicyclo[2.2.2]octane bico222  
1392 C8H16 cyclooctane cyclooct  
1393 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1394 C8H18 Octane c8h18  
1395 C6H5CN phenyl cyanide phcn  
1396 C6H12N2 Triethylenediamine ted  
1397 C4O4-- squarate dianion c4o4--  
1398 S8 Octasulfur s8  
1399 C6H4O2 parabenzoquinone pbq  
1400 C4H4N2O2 Uracil uracil  
1401 C6H5OCH3 Anisole anisole  
1402 C5H9NO2 Proline proline  
1403 C6H12O2 Methyl pivalate c598981  
1404 C6H12O2 Hexanoic acid hexa  
1405 C4F4 tetrafluorcyclobutadiene c4f4  
1406 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1407 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1408 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1409 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1410 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1411 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1412 C2F6 hexafluoroethane c2f6  
1413 IF7 Iodine heptafluoride if7  
1414 C6H4F2 metadifluorobenzene mdfb  
1415 C6H4F2 orthodifluorobenzene odfb  
1416 C6H4Cl2 1,2-dichlorobenzene dcb12  
1417 C6H4Cl2 1,3-dichlorobenzene dcb13  
1418 C9H8 Indene indene  
1419 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1420 C9H12 n-propyl benzene prbz  
1421 C9H20 Nonane nonane  
1422 C(CN)4 tetracyanomethane c5n4  
1423 C5H4N4 purine purine  
1424 C8H7N Indole indole  
1425 C3H3N3O3 cyanuric acid cyanuric  
1426 C6H5NO2 Nitrobenzene c6h5no2  
1427 C6H5COOH benzoic acid benzo  
1428 CH3COC6H5 acetophenone acph  
1429 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1430 C6H3F3 Benzene trifluoride 123 bzf3a  
1431 C10H8 Azulene azu  
1432 C10H8 naphthalene naph  
1433 C10H16 adamantane adamantane  
1434 C6N4 Tetracyanoethylene tcne  
1435 C6N4- tetracyanoethylene anion tcne-  
1436 C10H22 Decane decane  
1437 C4F6 perfluorobutadiene c4f6  
1438 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1439 C3F8 perfluoropropane c3f8  
1440 Fe(CO)5 Iron pentacarbonyl ipc  
1441 Fe(C5H5)2 ferrocene fecp2  
1442 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1443 C12H8 Acenaphthylene acenaph  
1444 C12H8 biphenylene biph  
1445 C12H10 biphenyl biphenyl  
1446 C12H10 Heptalene heptalene  
1447 C6H12O6 Inositol inositol  
1448 C6F6 hexafluorobenzene c6f6  
1449 C14H10 Anthracene anth  
1450 C14H10 Phenanthrene phenanthrene  
1451 C12H10N2 azobenzene azobenzene  
1452 C16H10 Pyrene pyrene  
1453 C18H12 Tetracene tetracene  
1454 C24H12 Coronene coronene  
1455 C60 Buckminsterfullerene c60