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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 wB97X-D /SDD

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li- Lithium atom anion 1SKh
11 K Potassium atom 2SKh
12 LiH+ lithium hydride cation 2ΣC∞v
13 KH Potassium hydride 1ΣC∞v
14 MgH magnesium monohydride 2ΣC∞v
15 ZnH+ Zinc, protonated   
16 BeH2+ Beryllium dihydride cation   
17 MgH2 magnesium dihydride 1ΣgD∞h
18 Al Aluminum atom 2PKh
19 Al- Aluminum atom anion 3PKh
20 Al+ Aluminum atom cation 1SKh
21 Ga Gallium atom 2P 
22 Ga- Gallium atom anion 3POh
23 Ga+ Gallium atom cation 1S 
24 BH Boron monohydride 1ΣC∞v
25 BH Boron monohydride 3ΠC∞v
26 ScH+ Scandium monohydride cation 2ΣC∞v
27 GaH Gallium monohydride 1ΣC∞v
28 GaH+ Gallium monohydride cation 2ΣC∞v
29 BH3+ boron trihydride cation 2B2C2v
30 BH3+ boron trihydride cation  C2v
31 AlH3 aluminum trihydride 1A1'D3h
32 AlH3- aluminum trihydride anion  C3v
33 BH4 borohydride 2B2C2v
34 BH4- borohydride anion 1A1Td
35 C Carbon atom 3P0Kh
36 Si- Silicon atom anion 4SKh
37 Ge Germanium atom 3PKh
38 Ge- Germanium anion 4SKh
39 Ge+ Germanium cation 2PKh
40 Sn Tin atom   
41 Sn+ Tin cation   
42 CH Methylidyne 2Π1/2C∞v
43 SiH Silylidyne 2ΠC∞v
44 SiH+ silicon monohydride cation 1ΣC∞v
45 GeH germylidene 2ΠC∞v
46 GeH+ Germaniun monohyrdide cation 1ΣC∞v
47 CH2- methylene anion 2B1C2v
48 GeH2 germylene 1A1C2v
49 CH3 Methyl radical 2A1D3h
50 SiH3 Silyl radical 2A1C3v
51 SiH3+ Silyl cation 1A1'D3h
52 GeH3 Germyl radical 2A1C3v
53 GeH3+ germyl cation 1A1'D3h
54 CH4 Methane 1A1Td
55 CH4- Methane anion 2A1Td
56 CH4- Methane anion 2A1C3v
57 SiH2D2 silane-d2   
58 SiH4 Silane 1A1Td
59 GeH4 Germane 1A1Td
60 SnH4 Stannane   
61 SiH5+ Silane, protonated   
62 N Nitrogen atom 4SKh
63 P Phosphorus atom 4SKh
64 V+ Vanadium atom cation 5DKh
65 As Arsenic atomic 4SKh
66 As- Arsenic anion 3PKh
67 As+ Arsenic cation 3PKh
68 Sb Antimony atom   
69 PH phosphorus monohydride 3Σ-C∞v
70 AsH Arsenic monohydride 3ΣC∞v
71 SbH Antimony monohydride   
72 NH2 Amino radical 2B1C2v
73 NH2+ Amino cation 3B1C2v
74 NH2+ Amino cation 1A1C2v
75 NH3 Ammonia 1A1C3v
76 NH3- Ammonia anion 2A1C3v
77 PH3 Phosphine 1A1C3v
78 PH3+ Phosphine cation 2A1C3v
79 AsH3 Arsine 1A1C3v
80 AsH3+ Arsine cation 2A1C3v
81 SbH3 Stibine   
82 AsH4+ Arsonium   
83 NH4 Ammonium radical   
84 NH4+ ammonium cation 1A1Td
85 PH4 Phosphoranyl radical   
86 PH4+ phosphonium cation   
87 O Oxygen atom 3SKh
88 S Sulfur atom 3PKh
89 S Sulfur atom   
90 S- Sulfur atom anion 2PKh
91 S+ Sulfur atom cation 4SKh
92 Se Selenium atom 3PKh
93 Se- Selenium atom anion 2PKh
94 Se+ Selenium atom cation 4SKh
95 Te Tellurium atom   
96 Te+ Tellurium atom cation   
97 OH Hydroxyl radical 2ΠC∞v
98 OH- hydroxide anion 1ΣC∞v
99 OH+ hydoxyl cation 3ΣC∞v
100 HS- mercapto anion 1ΣC∞v
101 HS+ sulfur monohydride cation 3ΣC∞v
102 CrH Chromium hydride 6ΣC∞v
103 CrH+ Chromium hydride cation 5ΣC∞v
104 HSe Selenium monohydride 2ΠC∞v
105 HSe- selenium monohydride anion 1ΣC∞v
106 HSe+ selenium monohydride cation 3ΣC∞v
107 TeH Telluryl radical   
108 H2O Water 1A1C2v
109 H2O- water anion 2A1C2v
110 H2O- water anion 2A'Cs
111 H2O+ water cation 2B1C2v
112 HDO Water-d1 1A1C2v
113 H2S Hydrogen sulfide 1A1C2v
114 H2S+ Hydrogen sulfide cation 2B1C2v
115 H2Se Hydrogen selenide 1A1C2v
116 H2Se+ Hydrogen selenide cation 2B1C2v
117 H2Te Hydrogen Telluride   
118 H3O+ hydronium cation 1A1C3v
119 H3S+ Sulfonium cation 1A1C3v
120 H3Se+ Hydrogen Selenide, protonated 1A1C3v
121 F Fluorine atom 2PKh
122 F- Fluorine atom anion 1SKh
123 F+ Fluorine atom cation 3SKh
124 F+ Fluorine atom cation 1DKh
125 Cl Chlorine atom 2PKh
126 Cl- Chlorine atom anion 1SKh
127 Cl+ Chlorine atom cation 3PKh
128 Cl+ Chlorine atom cation 1DKh
129 Br Bromine atom 2PKh
130 Br- Bromine atom anion 1SKh
131 Br+ Bromine atom cation 3PKh
132 I- Iodine atom anion 1SKh
133 I+ Iodine atom cation 3PKh
134 HF Hydrogen fluoride 1ΣC∞v
135 HF- hydrogen fluoride anion 2ΣC∞v
136 HF+ hydrogen fluoride cation 2ΠC∞v
137 HCl Hydrogen chloride 1ΣC∞v
138 HCl- hydrogen chloride anion 2ΣC∞v
139 HCl+ hydrogen chloride cation 2ΠC∞v
140 HBr hydrogen bromide 1ΣC∞v
141 HBr- hydrogen bromide anion 2ΣC∞v
142 HBr+ hydrogen bromide cation 2ΠC∞v
143 H2Cl+ dihydrogen monochloride cation 1A1C2v
144 H2Br+ protonated hydrogen bromide 2A1C2v
145 H2I+ Iodonium   
146 Ne Neon atom   
147 Kr Krypton atom 1SKh
148 Kr+ Krypton cation 2PKh
149 Xe Xenon atom 1SKh
150 HeLi+ Helium Lithium cation   
151 ArH+ Argon hydride cation 1ΣC∞v
152 KrH+ Protonated Krypton 1ΣC∞v
153 XeH+ Xenon, protonated 1ΣC∞v
154 H2Ar H2 Ar dimer 1ΣC∞v
155 NaLi lithium sodium 1ΣC∞v
156 Na2 Sodium diatomic 1ΣgD∞h
157 Na2- sodium diatomic anion 2ΣuD∞h
158 Na2+ sodium diatomic cation 2ΣgD∞h
159 NaK+ Sodium Potassium diatomic cation 1
160 BeMg Beryllium Magnesium 1ΣC∞v
161 LiAl Lithium Aluminum   
162 NaAl Sodium aluminum 1ΣC∞v
163 BAl Boron Aluminum 3ΣC∞v
164 BGa Boron Gallium 3ΣC∞v
165 AlGa Aluminum Gallium 3ΣC∞v
166 AlGa Aluminum Gallium 1ΣC∞v
167 HBBH Diborane(2) 3ΣGD∞h
168 B2H4 Diborane(4) D2d 1A1D2d
169 HBHHBH Diborane(4) C2V 1A1C2v
170 B2H6 Diborane 1AgD2h
171 B2H6+ Diborane cation   
172 CaC Calcium monocarbide   
173 BSi Boron silicide 4ΣC∞v
174 BSi Boron silicide 2ΣC∞v
175 GeC Germanium monocarbide 1ΣC∞v
176 SiGe Silicon Germanium   
177 C2H Ethynyl radical 2ΣC∞v
178 C2H- Ethynyl anion 1ΣC∞v
179 C2H2 Acetylene 1ΣgD∞h
180 C2H2+ acetylene cation 2ΠuD∞h
181 C2H2+ acetylene cation   
182 H2CC- vinylidene anion   
183 HCCH- acetylene anion   
184 HCCH- acetylene anion   
185 Si2H2 disilyne   
186 Si2H2 disilyne   
187 Si2H2 disilyne   
188 Si2H2 disilyne   
189 CH3Li methyl lithium 1A1C3v
190 CH2BH methyleneborane 1A1C2v
191 C2H3 vinyl 2A'Cs
192 C2H3- vinyl anion 1A'Cs
193 C2H3+ vinyl cation 1A1C2V bridging H
194 C2H3+ vinyl cation 1A1C2V HCCH2
195 C2H4 Ethylene 1AgD2h
196 C2H4+ Ethylene cation 2B3D2
197 Si2H4 Disilene   
198 Si2H4 Disilene   
199 Si2H4 Disilene   
200 CH3BH2 methylborane 1A'Cs
201 C2H5 Ethyl radical 2A'Cs
202 C2H6 Ethane 1A1gD3d
203 Si2H6 disilane 1EuD3d
204 LiN Lithium Nitride 3ΣC∞v
205 LiP Lithium monophosphide   
206 LiP Lithium monophosphide   
207 MgN Magnesium Nitride   
208 MgN Magnesium Nitride   
209 BP Boron monophosphide 3ΠC∞v
210 BP Boron monophosphide 1ΣC∞v
211 GaP Gallium monophosphide 3ΣC∞v
212 GaP Gallium monophosphide 1ΣC∞v
213 GaAs Gallium arsenide 3Π 
214 GaAs Gallium arsenide 1Σ 
215 CN Cyano radical 2ΣC∞v
216 SiP Silicon monophosphide 2ΠC∞v
217 N2 Nitrogen diatomic 1ΣgD∞h
218 N2 Nitrogen diatomic   
219 N2- nitrogen diatomic anion 2ΠgD∞h
220 PN Phosphorus mononitride 1ΣC∞v
221 HCN Hydrogen cyanide 1ΣC∞v
222 HCN+ hydrogen cyanide cation 2ΠC∞v
223 HNC+ hydrogen isocyanide cation   
224 HCP+ Phosphaethyne cation   
225 NNH+ Dinitrogen monohydride cation 1ΣC∞v
226 LiNH2 lithium amide   
227 HBNH Boranimine 1ΣC∞v
228 H2NN Isodiazene   
229 N2H2+ trans-diazene cation 2AGC2h
230 CH2NH Methanimine 1A'Cs
231 CH2NH+ Methanimine cation   
232 CHNH2 aminomethylene   
233 CHNH2+ Aminocarbene cation   
234 BH2NH2 Boranamine   
235 CH2NH2+ methyleneamine cation 1A1C2v
236 N2H4 Hydrazine 1AC2
237 CH3NH2 methyl amine 1A'Cs
238 SiH3NH2 Silane, amino   
239 N2H5+ protonated hydrazine 1A'Cs
240 BH3PH3 borane phosphine   
241 BH3NH3 borane ammonia 1A1C3v
242 CH3NH3 methyl ammonium radical 2A1C3v
243 CH3PH3+ methyl phosphine, protonated 1A1C3v
244 N2H7+ ammonia ammonium dimer   
245 LiSe Lithium monoselenide   
246 CaO Calcium monoxide 1ΣC∞v
247 CaS Calcium sulfide 1ΣC∞v
248 BO boron monoxide 2ΣC∞v
249 GaO Gallium monoxide 2ΣC∞v
250 GaS Gallium monosulfide   
251 CO Carbon monoxide 1ΣC∞v
252 CO- carbon monoxide anion 2ΠC∞v
253 CO+ carbon monoxide cation 2ΣC∞v
254 SiO Silicon monoxide 1ΣC∞v
255 SiS silicon monosulfide 1ΣC∞v
256 CSe Carbon monoselenide 1ΣC∞v
257 GeO Germanium monoxide 1ΣC∞v
258 GeO+ Germanium monoxide cation 2ΣC∞v
259 GeS Germanium monosulfide 1ΣC∞v
260 SiSe Silicon Monoselenide   
261 SiSe+ Silicon Monoselenide cation   
262 GeSe Germanium monoselenide   
263 NO Nitric oxide 2ΠC∞v
264 NO- nitric oxide anion 3ΣC∞v
265 NO+ nitric oxide cation 1ΣC∞v
266 NS Mononitrogen monosulfide 2ΠC∞v
267 PO Phosphorus monoxide 2ΠC∞v
268 PS phosphorus sulfide 2ΣC∞v
269 NSe Nitrogen monoselenide 2ΠC∞v
270 AsS Arsenic monosulfide 2ΠC∞v
271 PSe Phosphorus monoselenide 2ΠC∞v
272 AsSe Arsenic monoselenide 2ΠC∞v
273 O2 Oxygen diatomic 3ΣgD∞h
274 O2- oxygen diatomic anion 2ΠD∞h
275 O2-- dioxygen dianion   
276 SO Sulfur monoxide 3ΣC∞v
277 SO Sulfur monoxide 1ΣC∞v
278 SO+ sulfur monoxide cation 2ΠC∞v
279 S2 Sulfur diatomic 3ΣgD∞h
280 SeO Selenium monoxide 3ΣC∞v
281 TeO Tellurium monoxide   
282 Se2 Selenium diatomic 3ΣgD∞h
283 Te2 Tellurium diatomic   
284 LiOH lithium hydroxide 1ΣC∞v
285 KOH Potassium hydroxide 1ΣC∞v
286 BeOH beryllium monohydroxide 2A'Cs
287 HBO Boron hydride oxide 1ΣC∞v
288 HBS hydrogen boron sulfide 1ΣC∞v
289 COH Hydroxymethylidyne   
290 COH+ Carbon Monoxide, protonated 1ΣC∞v
291 HCO Formyl radical 2A'Cs
292 HCO- formyl anion 1A'Cs
293 HCO+ Formyl cation 1ΣC∞v
294 HNO Nitrosyl hydride 1A'Cs
295 HNO+ Nitrosyl hydride cation 2A'Cs
296 NOH Hydroxyimidogen 3A"Cs
297 NOH+ O-protonated nitric oxide 2A'Cs
298 HO2+ Hydroperoxy cation 3A"Cs
299 HSO+ Sulfur Monoxide, S-protonated   
300 SOH Sulfur Hydroxide   
301 SOH+ Sulfur Monoxide, protonated   
302 H2CO Formaldehyde 1A1C2v
303 H2CO- formaldehyde anion 2A'Cs
304 H2CO- formaldehyde anion   
305 H2CO+ formaldehyde cation 2B2C2v
306 H2CS Thioformaldehyde 1A1C2v
307 H2CS- thioformaldehyde anion   
308 H2CS- thioformaldehyde anion   
309 H2CS+ thioformaldehyde cation 2B2C2v
310 H2CSe Selenoformaldehyde   
311 H2NO nitroxide 2B1C2v
312 H2NO nitroxide 2A'Cs
313 H2O2 Hydrogen peroxide 1AC2
314 H2O2 Hydrogen peroxide 1AgC2h
315 H2OO water oxide   
316 HOSH hydrogen thioperoxide   
317 H2S2 Disulfane 1AC2
318 H2S2+ hydrogen disulfide cation 2BgC2h
319 H2Se2 hydrogen diselenide   
320 CH2OH+ hydroxymethyl cation 1A'Cs
321 CH3O- methoxy anion 1A1C3v
322 CH3O+ Methoxy cation 3A1C3v
323 H2CSH+ Thioformaldehyde, protonated 1A'Cs
324 NH2OH hydroxylamine 1A'Cs
325 NH2OH+ Hydroxylamine cation   
326 NH2SH Thiohydroxylamine   
327 NH2SH Thiohydroxylamine   
328 NH3S sulfidoazane   
329 CH3OH Methyl alcohol 1A'Cs
330 CH3OH+ Methyl alcohol cation 2A"Cs
331 CH3SH Methanethiol 1A'Cs
332 CH3SH+ Methanethiol cation 2A"Cs
333 SiH3OH silanol   
334 NH2OH2+ protonated hydroxylamine   
335 NH3OH+ N-protonated hydroxylamine   
336 H2OH2O water dimer 1A'Cs
337 CH3SH2+ protonated methylsulfide 1A'Cs
338 H5O2+ Dihydroxonium ion 1AC2
339 LiF lithium fluoride 1ΣC∞v
340 LiCl lithium chloride 1ΣC∞v
341 NaF+ sodium fluoride cation 2ΣC∞v
342 LiBr Lithium Bromide 1ΣC∞v
343 LiI Lithium Iodide   
344 NaI Sodium Iodide   
345 LiF+ lithium fluoride cation 2ΠC∞v
346 TiCl Titanium Monochloride 4ΣC∞v
347 ZnF Zinc monofluoride 2ΣC∞v
348 CaBr Calcium monobromide   
349 BF Boron monofluoride 1ΣC∞v
350 AlF Aluminum monofluoride 1Σ+C∞v
351 GaF Gallium monofluoride 1ΣC∞v
352 GaF+ Gallium monofluoride cation 2ΣC∞v
353 AlBr Aluminum monobromide   
354 GaCl Gallium monochloride 1ΣGC∞v
355 GaCl+ Gallium monochloride cation 2ΣC∞v
356 AlI Aluminum monoiodide   
357 GaBr Gallium monobromide   
358 CF Fluoromethylidyne 2ΠC∞v
359 SiF silicon monofluoride 2ΠC∞v
360 SiF+ silicon monofluoride cation 1ΣC∞v
361 SiCl Clorosilylidyne 2ΠC∞v
362 CBr Carbon monobromide 2ΠC∞v
363 GeF Germanium monofluoride 2ΠC∞v
364 GeF+ Germanium monofluoride cation 1ΣC∞v
365 GeCl Germanium monochloride 2ΠC∞v
366 GeCl+ Germanium monochloride cation   
367 SiBr Silicon monobromide 2ΠC∞v
368 SiBr+ Silicon monobromide cation   
369 NCl nitrogen monochloride 3ΣC∞v
370 AsCl Arsenic monochloride 3ΣC∞v
371 PBr Phosphorus monobromide   
372 FO Oxygen monofluoride 2ΠC∞v
373 ClO Monochlorine monoxide 2ΠC∞v
374 ClO+ chlorine monoxide cation 3ΣC∞v
375 SF Monosulfur monofluoride 2ΠC∞v
376 SF+ sulfur monofluoride cation 3ΣC∞v
377 SCl+ sulfur monochloride cation 3ΣgC∞v
378 BrO Bromine monoxide 2ΠC∞v
379 BrO+ Bromine monoxide cation   
380 SBr Sulfur monobromide radical   
381 SBr+ Sulfur monobromide cation   
382 SeCl Selenium monochloride 2ΠC∞v
383 IO Iodine monoxide   
384 SeBr Selenium monobromide   
385 BrCl Bromine monochloride 1ΣC∞v
386 F2 Fluorine diatomic 1ΣgD∞h
387 F2- flourine diatomic anion 2ΣuD∞h
388 F2+ flourine diatomic cation 2ΠgD∞h
389 ClF Chlorine monofluoride 1Σ+C∞v
390 ClF+ clorine monofluoride cation 2ΠC∞v
391 Cl2+ chlorine diatomic cation 2ΠgD∞h
392 BrF Bromine monofluoride 1ΣC∞v
393 Br2 Bromine diatomic 1ΣgD∞h
394 Br2- bromine diatomic anion 2ΣuD∞h
395 Br2+ bromine diatomic cation 2ΠgD∞h
396 HCF Fluoromethylene 1A'Cs
397 HCF Fluoromethylene 3A"Cs
398 HSiF fluorosilylene   
399 HSiCl Chlorosilylene   
400 HSiBr monobromosilylene   
401 HOF Hypofluorous acid 1A'Cs
402 HOCl hypochlorous acid 1A'Cs
403 HOCl+ hypochlorous acid cation   
404 HOI Hypoiodous acid   
405 F2H+ Fluorine, protonated 1A'Cs
406 ClFH+ Chlorine fluoride, F-protonated   
407 FClH+ Chlorine fluoride, Cl-protonated   
408 Cl2H+ Chlorine, protonated 1A'Cs
409 CH2Br bromomethyl radical   
410 CH2F fluoromethyl radical 2ACs
411 CH2F+ fluoromethyl cation   
412 CH2Cl+ chloromethyl cation   
413 CH2Cl chloromethyl radical 2A'Cs
414 CH2Cl chloromethyl radical 2B1C2v
415 NH2Cl chloramine 1A'Cs
416 CH3F+ methyl fluoride cation   
417 CH3F Methyl fluoride 1A1C3v
418 CH3Cl Methyl chloride 1A1C3v
419 CH3Cl+ Methyl chloride cation   
420 SiH3F monofluorosilane 1A1C3v
421 SiH3Cl chlorosilane 1A1C1
422 CH3Br methyl bromide 1A1C3v
423 GeH3F monofluorogermane   
424 GeH3Cl monochlorogermane   
425 SiH3Br bromosilane 1A1C3v
426 SiH3I Silyl Iodide   
427 NH3Cl+ protonated monochloroammonia   
428 CH3ClH+ methyl chloride, protonated   
429 NH4Cl Ammonium chloride   
430 LiNe+ Lithium Neon cation   
431 Ar2 Argon diatomic 1SgD∞h
432 Ar2+ Argon diatomic cation 2ΣuD∞h
433 C3 carbon trimer 1ΣgD∞h
434 C3 carbon trimer 1A1C2v
435 SiC2 Silicon dicarbide   
436 C3H4 cyclopropene 1A1C2v
437 CH2CCH2 allene 1A1D2d
438 CH3CCH propyne 1A'C3v
439 C3H6 Cyclopropane 1A1'D3h
440 CH2CHCH3 Propene 1A'Cs
441 C3H7 n-Propyl radical 2A"C1
442 C3H7+ cyclopropane, protonated   
443 CH3CHCH3 Isopropyl radical 2AC2
444 CH3CHCH3+ Isopropyl cation 1AC2
445 C3H8 Propane 1A1C2v
446 Si3H8 trisilane   
447 LiCN lithium cyanide 1ΣC*V LiCN
448 KCN Potassium cyanide 1ΣC∞v
449 KCN Potassium cyanide 1ΣC∞v
450 KCN Potassium cyanide 1A'Cs
451 ZnCN Zinc monocyanide 2ΣC∞v
452 ZnNC Zinc isocyanide 2ΣC∞v
453 AlCN Aluminum monocyanide   
454 AlNC Aluminum isocyanide   
455 CNN Diazocarbene   
456 N3 azide radical 2ΠgD∞h
457 N3+ azide cation 3ΣgD∞h
458 N3+ azide cation 3ΣC∞v
459 HN3 hydrogen azide 1A'Cs
460 HN3+ Hydrazoic acid cation   
461 HNCNH diiminomethane 1AC2
462 HNNNH+ 1,2-Triazadienium   
463 NH2NN+ hydrazoic acid, protonated   
464 CH3CN Acetonitrile 1A1C3v
465 CH3CN- acetonitrile anion 2EC3v
466 CH3CN- acetonitrile anion 2A'Cs
467 CHNCH2 2H-Azirine   
468 CHNHCH 1H-Azirine   
469 H2CCNH Ethenimine   
470 H2CNCH methyleneaminomethylene   
471 HCCNH2 Ethynamine   
472 HCNCH2+ 2H-Azirine cation   
473 HNCNH2+ diiminomethane, protonated 1A'Cs
474 NCNH3+ Cyanamide, protonated 1A1C3v
475 NH2CNH+ cyanamide, cn protonated   
476 NH3CN+ cyanamide, amine protonated   
477 C2H5NH+ Protonated Aziridine 1A1C2v
478 C2H6N+ aziridine, protonated 1A1C2v
479 CH3CH2NH2 Ethylamine   
480 CH3PHCH3 dimethylphosphine 1A'Cs
481 (CH3)2NH2+ dimethylammonium cation 1A1C2v
482 CH3CH2NH3+ ethylamine, protonated 1A'Cs
483 Li2O dilithium oxide 1ΣgD∞h
484 Na2O disodium monoxide 1ΣgLinear
485 Na2O disodium monoxide 1A1C2v
486 Na2S Sodium sulfide   
487 Na2S Sodium sulfide   
488 LiO2 Lithium dioxide   
489 NaO2 Sodium superoxide   
490 NCO isocyanato radical 2ΠC∞v
491 N2O Nitrous oxide 1ΣC∞v
492 N2O- Nitrous oxide anion 2A'Cs
493 CO2 Carbon dioxide 1ΣgD∞h
494 OCS Carbonyl sulfide 1ΣC∞v
495 CS2 Carbon disulfide 1ΣgD∞h
496 GeO2 Germanium dioxide 1ΣgD∞h
497 OCSe Carbonyl selenide 1ΣC∞v
498 SCSe Carbon sulfide selenide   
499 SCTe Carbon sulfide Telluride   
500 NO2 Nitrogen dioxide 2A1C2v
501 NO2+ Nitrogen dioxide cation 1ΣGD∞h
502 NSO sulfinyl amidogen   
503 SNO Nitrogen oxide sulfide   
504 O3 Ozone 1A1Cs
505 SO2 Sulfur dioxide 1A1C2v
506 SSO Disulfur monoxide 1A'Cs
507 S3 Sulfur trimer 1A1C2v
508 S3 Sulfur trimer   
509 SeO2 Selenium dioxide 1A1C2v
510 SeO2+ Selenium dioxide cation 2A1C2v
511 TeO2 Tellurium Dioxide   
512 HCCO ketenyl radical 2ΠC∞v
513 HCCO ketenyl radical 2A"Cs
514 HCNO fulminic acid 1ΣC∞v
515 HNCS Isothiocyanic acid   
516 HNCS Isothiocyanic acid   
517 HSCN thiocyanic acid 1A'Cs
518 HNNO+ Nitrous oxide, N-protonated 1A'Cs
519 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
520 HOCO Hydrocarboxyl radical 1A'cis
521 HOCO Hydrocarboxyl radical 1A'trans
522 O3H+ protonated ozone 1A'Cs
523 O3H+ protonated ozone   
524 SO2H+ protonated sulfur dioxide 1A'Cs
525 C2H2O Oxirene 1A1C2v
526 CH2CO Ketene 1A1C2v
527 CH2CS Thioketene   
528 Be(OH)2 Beryllium hydroxide   
529 Be(OH)2 Beryllium hydroxide   
530 Be(OH)2 Beryllium hydroxide   
531 H2COO Dioxymethyl radical 2A'Cs
532 H2COO+ dioxymethyl cation 2A'Cs
533 HCOOH Formic acid 1A'Cs
534 HCOOH Formic acid   
535 CH2BOH hydroxy(methylene)borane 1A'Cs
536 BH3CO Borane carbonyl 1A1C3v
537 CH3BO Borane, methyloxo- 1A1C3v
538 CH2COH+ ketene, protonated   
539 CH2NOH formaldoxime 1A'Cs
540 CH3NO nitrosomethane 1A'Cs
541 CNOH3 1,2-oxaziridine 1AC1
542 HOCHNH hydroxymethylimine 1A'CS H all up
543 CHSNH2 thioformamide   
544 NHCHSH Methanimidothioic acid   
545 C2H4O Ethylene oxide 1A1C2v
546 C2H4O+ ethylene oxide cation   
547 CH3CHO Acetaldehyde 1A'Cs
548 CH3CHO+ acetaldehyde cation   
549 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
550 C2H4S Thiirane 1A1C2v
551 CH2CHSH Ethenethiol   
552 CH3CHS Thioacetaldehyde 1A'C1
553 NH2CHOH+ Formamide, O-protonated   
554 CH3SSH Hydrogen methyl disulfide   
555 HSCH2SH Methanedithiol   
556 C2H4OH+ ethylene oxide, protonated 1A'Cs
557 CH3CHOH 1-hydroxy-ethyl radical 2AC1
558 CH3CHOH+ acetaldehyde, protonated 1A'Cs
559 NH2CH2OH aminomethanol   
560 CH3CH2OH Ethanol 1A'Cs
561 CH3OCH3 Dimethyl ether 1A1C2v
562 CH3CH2SH ethanethiol 1A'Cs
563 CH3CH2SH ethanethiol 1AC1
564 CH3SCH3 Dimethyl sulfide 1A1C2v
565 CH3SCH3+ dimethyl sulfide cation   
566 CH3SeCH3 dimethylselenide 1A1C2v
567 CNF iso cyanogen fluoride 1ΣC∞v
568 BrCN Cyanogen bromide 1ΣC∞v
569 ICN Cyanogen iodide 1ΣC∞v
570 FBO Boron monofluoride monoxide   
571 BeBr2 Beryllium bromide   
572 CaBr2 Calcium dibromide   
573 BF2 Boron difluoride radical 2A1C2v
574 FNO Nitrosyl fluoride 1A'Cs
575 ClNO Nitrosyl chloride 1A'Cs
576 FNS Thionitrosyl fluoride 1A'Cs
577 FSN Thiazyl fluoride 1A'Cs
578 OPCl Phosphorus oxychloride   
579 INO Nitrosyl iodide 1A'Cs
580 CF2 Difluoromethylene 1A1D∞h
581 CFCl chlorofluoromethylene 1A'Cs
582 SiF2 Silicon difluoride 1A1C2v
583 SiF2+ Silicon difluoride cation 2A1C2v
584 GeCl2 Germanium dichloride 1A1C2v
585 CBr2 dibromomethylene 1A1C2v
586 CBr2 dibromomethylene 3B1C2v
587 FOO+ Fluorine dioxide cation   
588 OClO Chlorine dioxide 2B1D∞h
589 OClO- Chlorine dioxide anion 1A'Cs
590 ClSO Sulfur chloride oxide 2A"Cs
591 BrOO Bromine dioxide   
592 OBrO Bromine dioxide radical 2B1C2v
593 PF2 Phosphorus difluoride   
594 PF2+ Phosphorus difluoride cation   
595 FClO chlorosyl fluoride 1A'Cs
596 ClOF Chlorine hypofluorite 1A'Cs
597 SF2 sulfur difluoride 1A1C2v
598 SeF2 Selenium difluoride   
599 SeCl2 Selenium Dichloride   
600 SBr2 Sulfur dibromide   
601 SeBr2 Selenium dibromide   
602 Br3- tribromide anion   
603 I3- triiodide   
604 SFCl Sulfur chloride fluoride   
605 HCCF Fluoroacetylene 1ΣC∞v
606 HCCBr bromoacetylene 1ΣC∞v
607 CHCl2 dichloromethyl radical 2B1C2v
608 CHCl2 dichloromethyl radical 2A'Cs
609 CHF2 difluoromethyl radical 2ACs
610 CHF2+ difluoromethyl cation   
611 CHFCl Chlorofluoromethyl radical   
612 CHFCl+ Chlorofluoromethyl cation   
613 CHCl2+ dichloromethyl cation   
614 CHBr2 dibromomethyl radical   
615 NHF2 difluoramine   
616 NHCl2 dichloroamine   
617 CH2F2 Methane, difluoro- 1A1C2v
618 SiH2F2 difluorosilane   
619 CH2Cl2 Methylene chloride 1A1C2v
620 CH2BrF Methane, bromofluoro- 1A'Cs
621 CH2BrCl Methane, bromochloro- 1A'Cs
622 CH2FI fluoroiodomethane   
623 CH2Br2 dibromomethane 1A1C2v
624 CH2ClI chloroiodomethane   
625 CH2BrI bromoiodomethane   
626 CH2I2 Diiodomethane   
627 SiH2Cl2 dichlorosilane 1A1C2v
628 CH3MgBr Methyl Magnesium Bromide   
629 CH2CHF Ethene, fluoro- 1A'Cs
630 C2H3I Vinyl iodide   
631 CH2FOH fluoromethanol   
632 CH2CH2Cl 2-chloroethyl radical 2A'Cs
633 CHClCH3 1-chloroethyl radical 2AC1
634 C2H5Br Ethyl bromide 1A'Cs
635 C2H5I Ethyl iodide   
636 XeF2 Xenon difluoride   
637 C4 Carbon tetramer 3ΣgD∞h
638 C4 Carbon tetramer   
639 C4H2+ diacetlyene cation 2ΠgD∞h
640 C4H4 Tetrahedrane   
641 C4H6 1-Methylcyclopropene 1AC1
642 CH2CHCH2CH3 1-Butene 1AC1
643 CH3CH2CH2CH3 Butane 1AgAnti
644 CH3CH2CH2CH3 Butane 1AGauche
645 C2N2 Cyanogen 1ΣgD∞h
646 As4 Arsenic tetramer 1A1Td
647 HCCCN+ Cyanoacetylene cation 2ΠC∞v
648 H2CNCN cyanamide, methylene   
649 HNCCNH Ethenediimine   
650 CH3N3 methyl azide 1A'Cs
651 NH2CCNH2 Diaminoacetylene 1AC2
652 NH2CCNH2 Diaminoacetylene 1A1D2d
653 NH2CH2CN Aminoacetonitrile 1A'Cs
654 CH3NHN2+ methyl azide, protonated 1AC1
655 C2H5CN ethyl cyanide 1A'Cs
656 C4H6 Bicyclo[1.1.0]butane 1A1C2v
657 H2NCHCHNH2 diaminoethylene   
658 CH7N3 triaminomethane   
659 C4H8 cyclobutane 1A1D2d
660 NH2CH2CH2CH3 1-Propanamine 1A'Cs
661 N(SiH3)3 trisilylamine   
662 (CH3)3NH+ protonated trimethyl amine   
663 C3H7NH3+ n-propylamine, protonated 1A'Cs
664 K2O2 dipotassium dioxide   
665 C3O Tricarbon monoxide 1ΣC∞v
666 ONNO NO dimer 1Agtrans C2H
667 ONNO NO dimer 1A1cis C2V
668 S2N2 Disulfur dinitride 1AGD2h
669 CS3-- Carbonotrithioate   
670 NO3- nitrate anion 1A1'D3h
671 SO3 Sulfur trioxide 1A1'D3h
672 SO3-- Sulfate dianion   
673 S4 Sulfur tetramer   
674 S4 Sulfur tetramer   
675 S4 Sulfur tetramer   
676 TeO3 Tellurium trioxide   
677 HNO3 Nitric acid 1A'Cs
678 NH2NO2 nitramide 1A'Cs
679 C3H2O Propadienal   
680 C3H2O Propadienal   
681 C2H2O2 Ethanedial 1AgC2h
682 C2H3NO Nitrosoethylene   
683 CH3NCO methylisocyante   
684 HOCH2CN cyanomethanol   
685 CH3NO2 Methane, nitro- 1A'Cs
686 H3AlO3 Aluminum hydroxide   
687 CH2CHCHO Acrolein 1A'Cs
688 CH2CHCHO Acrolein   
689 NH2CONH2 Urea 1A1C2v
690 NH2COOH2+ Carbamic acid, O-protonated 1AC1
691 NH3COOH+ protonated Carbamic acid 1A'Cs
692 CH2C(OH)NH2 1-amino vinyl alchohol   
693 CH3C(OH)=NH Ethaninidic acid   
694 CH3CHNOH Acetaldoxime 1A'CS cis
695 HCONHCH3 N-methylformamide 1A'CS cis
696 HCONHCH3 N-methylformamide 1A'CS trans
697 CH3CSNH2 Ethanethioamide   
698 CH5N2O+ urea, N-protonated 1A'Cs
699 H2NCOHNH2+ urea, protonated 1A'Cs
700 C3H5OH Cyclopropanol 1AC1
701 C3H6O Acetone enol 1A'Cs
702 CH3CH2CHO Propanal 1A'Cs
703 CH3COCH3 Acetone 1A1C2v
704 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
705 C3H7OH 1-Propanol   
706 Li2F2 Lithium fluoride dimer   
707 FNO2 Nitryl fluoride 1A1C2v
708 FONO Nitrosyl hypofluorite 1A'CS cis
709 ClONO chlorine nitrite 1A'CS cis
710 CF2O Carbonic difluoride 1A1C2v
711 CF2O+ Carbonic difluoride cation   
712 BF3+ boron trifluoride cation   
713 BClF2 Chlorodifluoroborane   
714 BCl3 Borane, trichloro- 1A1'D3h
715 BCl3+ Boron Trichloride cation   
716 GaF3 Gallium trifluoride 1A1'D3h
717 GaCl3 Gallium trichloride 1A1'D3h
718 CF2Cl difluorochloromethyl radical   
719 SiF3 Silicon trifluoride radical 2A1C3v
720 SiF3+ Silicon trifluoride cation 1A1'D3h
721 CFCl2 dichlorofluoromethyl radical   
722 CBr3 tribromomethyl radical   
723 ClO2F Chloryl fluoride 1A'Cs
724 ClOOCl Dichlorine dioxide 1AC2
725 SSCl2 Thiothionyl chloride   
726 NF3 Nitrogen trifluoride 1A1C3v
727 NCl3 nitrogen trichloride 1A1C3v
728 SbF3 Antimony Trifluoride   
729 AsCl3 Arsenous trichloride 1A1C3v
730 SbCl3 Antimony Trichloride   
731 NBr3 Nitrogen Tribromide 1A1C3v
732 NI3 Nitrogen triiodide   
733 PI3 Phosphorus triiodide   
734 ClF3 Chlorine trifluoride 1A1'D3h
735 ClF3 Chlorine trifluoride 1A1C2v
736 IF3 iodone trifluoride   
737 HClO3 Chloric Acid 1A'Cs
738 HClO3 Chloric Acid 1AC1
739 CHF3 Methane, trifluoro- 1A1C3v
740 SiHF3 trifluorosilane   
741 CHCl3 Chloroform 1A1C3v
742 CHBrF2 Methane, bromodifluoro- 1A'Cs
743 CHFClBr fluorochlorobromomethane 1AC1
744 CHBrCl2 Methane, bromodichloro- 1A'Cs
745 CHF2I difluoroiodomethane   
746 CHBr2F dibromofluoromethane   
747 CHFClI fluorochloroiodomethane   
748 NF3H+ protonated nitrogen trifluoride 1A1C3v
749 AsF3H+ Arsenic trifluoride, protonated   
750 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
751 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
752 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
753 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
754 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
755 C2H4F2 1,2-difluoroethane 1AgC2H anti
756 C2H4F2 1,2-difluoroethane 1AC2 gauche
757 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
758 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
759 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
760 CH2BrCH2Cl 1-bromo-2-chloroethane   
761 CH2BrCH2Cl 1-bromo-2-chloroethane   
762 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
763 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
764 CH2CHCH2F Allyl Fluoride   
765 CH2CHCH2F Allyl Fluoride   
766 CH3CHCHF trans-1-Fluoro-1-propene   
767 CH2FCH2OH 2-fluoroethanol   
768 CH2ClCH2OH 2-Chloroethanol 1A'Cs
769 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
770 CH2FCH2CH3 1-Fluoropropane 1A'Cs
771 CH2FCH2CH3 1-Fluoropropane   
772 CH3CHFCH3 2-Fluoropropane 1A'Cs
773 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
774 B5H9 pentaborane9   
775 C5H4 pentatetraene   
776 C5H6 Propellane 1A1D3h
777 C5H8 Bicyclo[1.1.1]pentane   
778 C3H4N2 1H-Imidazole 1A'Cs
779 C3H4N2 2H-Imidazole 1A1C2v
780 C3H4N2 4H-Imidazole 1A'Cs
781 C4H5N Pyrrole 1A1C2v
782 C4H6N+ pyrrole, alpha-protonated 1A'Cs
783 C4H6N+ pyrrole, beta-protonated 1A'Cs
784 C4H6N+ pyrrole, protonated 1A1C2v
785 NH(C2H5)2 diethylamine 1A'Cs
786 C3O2 Carbon suboxide 1ΣGD∞h
787 B2O3 diboron trioxide   
788 B2O3 diboron trioxide   
789 MgCO3 Magnesium Carbonate 1A1C2v
790 BeCO3 Beryllium Carbonate 1A1C2v
791 CHOOCHO diformyl ether   
792 C3H3NO Isoxazole 1A'Cs
793 C3H3NS Thiazole   
794 C4H4O Furan 1A1C2
795 CH3COCCH 3-butyn-2-one 1A'Cs
796 C4H4Se selenophene   
797 CH3OCH2CN Methoxyacetonitrile 1A'Cs
798 CH3OCH2CN Methoxyacetonitrile 1AC1
799 CH3SO2NH2 methanesulfonamide 1A'Cs
800 CH2CHSCHCH2 Divinyl sulfide   
801 HCOOC2H5 Ethyl formate 1A'Cs
802 C2H6O2S Dimethyl sulfone 1A1C2v
803 C4H8S Thiophene, tetrahydro- 1AC1
804 C4H10O Ethoxy ethane 1A1C2v
805 C4H10O Methyl propyl ether 1AC1
806 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
807 C4H9SH 1-Butanethiol   
808 CF3Cl Methane, chlorotrifluoro- 1A1C3v
809 CF2Cl2 difluorodichloromethane 1A1C2v
810 CF3Br Bromotrifluoromethane 1A1C3v
811 GeF4 Germanium tetrafluoride 1A1Td
812 CCl4 Carbon tetrachloride 1A1Td
813 CBrCl2F bromodichlorofluoromethane   
814 CBr2ClF dibromochlorofluoromethane   
815 CBr2Cl2 dibromodichloromethane 1A1C2v
816 CCl3I trichloroiodomethane   
817 CFBr3 fluorotribromomethane 1A1C3v
818 CFClBrI fluorochlorobromoiodomethane   
819 CBr3Cl tribromochloromethane 1A1C3v
820 CF2I2 difluorodiiodomethane   
821 CBr4 Carbon tetrabromide 1A1Td
822 CCl2I2 dichlorodiiodomethane   
823 SiBr4 Silicon tetrabromide 1A1Td
824 GeBr4 Germanium tetrabromide   
825 CI4 tetraiodomethane   
826 SiI4 silicon tetraiodide   
827 ClOF3 Chlorine trifluoride oxide 1A'Cs
828 SF4 Sulfur tetrafluoride 1A1C2v
829 SeF4 Selenium tetrafluoride   
830 SCl4 Sulfur tetrachloride   
831 CH2ClCCCl 1,3-dichloropropyne   
832 CHCl2CCH 3,3-dichloropropyne   
833 CHCl2CHO dichloroacetaldehyde   
834 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
835 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
836 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
837 CH2FCH2CH2F 1,3-difluoropropane   
838 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
839 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
840 XeF4 Xenon tetrafluoride   
841 C2H2N2O Furazan   
842 NH3BF3 Amminetrifluoroboron 1A1C3v
843 C6H6 Prismane   
844 C6H6 1,2,4,5-Hexatetraene 1AgC2h
845 C6H6 Benzene 1A1gD6h
846 C6H6 Benzvalene 1A1C2v
847 C6H6 Dewar Benzene   
848 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
849 C6H7+ benzene, protonated 1A1C2v
850 C6H10 3-Hexyne 1A1C2v
851 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
852 MgSO4 Magnesium Sulfate 1A1C2v
853 N2O4 Dinitrogen tetroxide 1AgD2d
854 C3H2O3 vinylene carbonate   
855 C2H2O4 Oxalic Acid 1AgC2h
856 C2H4N2S2 Ethanedithioamide 1AGC2h
857 C2H4O4 Formic acid dimer 1AGC2h
858 C5H6O 2H-Pyran   
859 C5H6O Pentadienal   
860 C4H6O2 γ–Butyrolactone 1AC1
861 C3H6O3 1,3,5-Trioxane 1A1C1
862 C3H6S3 1,3,5-Trithiane 1A1C3v
863 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
864 C4H8O2 Ethyl acetate 1A'Cs
865 C5H10O 3-Pentanone 1A1C2v
866 C4F2 difluorobutadiyne   
867 ClCOClCO Oxalyl chloride 1AGC2h
868 C2ClF3 Ethene, chlorotrifluoro-   
869 CF2CCl2 difluorodichloroethylene 1A1C2v
870 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
871 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
872 C2Br4 tetrabromoethene   
873 SiF5- silicon pentafluoride anion   
874 SOF4 Sulfur tetrafluoride oxide 1A1C2v
875 PF5 Phosphorus pentafluoride 1A1'D3h
876 SF5+ pentafluoro sulfur cation 1A1'D3h
877 IF5 pentafluoroiodine   
878 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
879 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
880 CH2ClCCl3 1,1,1,2-tetrachloroethane   
881 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
882 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
883 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
884 C4H3ClO Furan, 2-chloro 1A'Cs
885 C4H3ClO Furan,3-chloro 1A'Cs
886 C4H8O2 Butanoic acid 1AC1
887 C7H7 cycloheptatrienyl radical 2A2C2v
888 C7H7+ cycloheptatrienyl cation 1A1'D7h
889 CH(CN)3 tricyanomethane   
890 HN=C=C(CN)2 Dicyanoketenimine   
891 C5H4O2 furfural 1A'OCCO cis
892 C5H4O2 furfural 1A'OCCO trans
893 C7H10 Norbornene   
894 C6H12O Oxepane   
895 F2CCCF2 tetrafluoroallene   
896 CF3COO- trifluoro acetate anion 1A'Cs
897 CF3COF trifluoroacetyl fluoride 1A'Cs
898 PF6 Hexafluorophosphate neutral 2B2C2v
899 SF6 Sulfur Hexafluoride 1A1GOh
900 CF3CHF2 pentafluoroethane 1A'Cs
901 C8H8 cubane 1A1GOh
902 S4N4 Tetrasulfur tetranitride   
903 C6H5CHO benzaldehyde 1A'Cs
904 C2Cl6 hexachloroethane 1A1gD3d
905 C6H4F2 1,4-difluorobenzene 1AgD2h
906 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
907 C6H4Cl2 1,4-dichlorobenzene   
908 C6H5NO nitrosobenzene 1A'Cs
909 C9H20 Nonane 1A1C2v
910 C3F6 hexafluoropropene   
911 C8H18O 1-Octanol   
912 C10H8 naphthalene 1AgD2h
913 C10H10 bullvalene   
914 B12H12-- Dodecahydrododecaborate(2-)   
915 C12H8 biphenylene 1AgD2h
916 S2F10 disulphur decafluoride   
917 C13H10 Fluorene   
918 C14H14 Bibenzyl 1AC2
919 C6H5COC6H5 benzophenone 1AC2
920 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 anion he-  
10 HeH Helium hydride heh  
11 Li Lithium atom li  
12 Li+ Lithium atom cation li+  
13 Na Sodium atom na  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH Lithium Hydride lih  
22 LiH- lithium hydride anion lih-  
23 NaH sodium hydride nah  
24 NaH- sodium hydride anion nah-  
25 NaH+ sodium hydride cation nah+  
26 KH+ Potassium hydrogen cation kh+  
27 CuH Copper monohydride cuh  
28 Be Beryllium atom be  
29 Be- Beryllium atom anion be-  
30 Be+ Beryllium atom cation be+  
31 Mg Magnesium atom mg  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH beryllium monohydride beh  
41 BeH- berylium monohydride anion beh-  
42 BeH+ beryllium monohydride cation beh+  
43 MgH- magnesium monohydride anion mgh-  
44 MgH+ magnesium monohydride cation mgh+  
45 CaH Calcium monohydride cah  
46 CaH+ Calcium monohydride cation cah+  
47 TiH Titanium monohydride tih  
48 ZnH Zinc monohydride znh  
49 BeH2 beryllium dihydride beh2  
50 CaH2 Calcium Hydride cah2  
51 ZnH2 Zinc hydride znh2  
52 B Boron atom b  
53 B- Boron atom anion b-  
54 B+ Boron atom cation b+  
55 Sc Scandium atom sc  
56 Sc+ Scandium cation sc+  
57 BH- boron monohydride anion bh-  
58 BH+ boron monohydride cation bh+  
59 AlH aluminum monohydride alh  
60 AlH- aluminum monohydride anion alh-  
61 AlH+ aluminum monohydride cation alh+  
62 ScH Scandium monohydride sch  
63 BH2 boron dihydride bh2  
64 BH2- boron dihydride anion bh2-  
65 BH2+ Boron dihydride cation bh2+  
66 AlH2 aluminum dihydride alh2  
67 AlH2- aluminum dihydride anion alh2-  
68 AlH2+ aluminum dihydride cation alh2+  
69 BH3 boron trihydride bh3  
70 BH3- boron trihydride anion bh3-  
71 AlH3+ aluminum trihydride cation alh3+  
72 ScH3 Scandium trihydride sch3  
73 GaH3 Gallium trihydride gah3  
74 AlH4- Aluminum tetrahydride anion alh4-  
75 C- Carbon atom anion c-  
76 C+ Carbon atom cation c+  
77 Si Silicon atom si  
78 Si+ Silicon atom cation si+  
79 Ti Titanium atom ti  
80 Ti- Titanium atom anion ti-  
81 Ti+ Titanium atom cation ti+  
82 CH- methylidyne anion ch-  
83 CH+ Methylidyne cation ch+  
84 SiH- silicon monohydride anion sih-  
85 CH2 Methylene ch2  
86 CH2+ methylene cation ch2+  
87 SiH2 silicon dihydride sih2  
88 SiH2- silicon dihydride anion sih2-  
89 SiH2+ silicon dihydride cation sih2+  
90 GeH2- germylene anion geh2-  
91 CH3- methyl anion ch3-  
92 CH3+ methyl cation ch3+  
93 SiH3- Silyl anion sih3-  
94 CD4 methane-d4 cd4  
95 CH2D2 methane-d2 ch2d2  
96 CH3D methane-d ch3d  
97 CH4+ Methane cation ch4+  
98 CHD3 methane-d3 chd3  
99 SiH4+ Silane cation sih4+  
100 N- Nitrogen atom anion n-  
101 N+ Nitrogen atom cation n+  
102 P- Phosphorus atom anion p-  
103 P+ Phosphorus atom cation p+  
104 V Vanadium atom v  
105 NH Imidogen nh  
106 NH- Imidogen anion nh-  
107 NH+ imidogen cation nh+  
108 PH- phosphorus monohydride anion ph-  
109 PH+ phosphorus monohydride cation ph+  
110 AsH+ Arsenic monohydride cation ash+  
111 ND2 Amidogen-d2 nd2  
112 NH2- amino anion nh2-  
113 PH2 Phosphino radical ph2  
114 PH2- Phosphino anion ph2-  
115 PH2+ Phosphino cation ph2+  
116 AsH2 Arsenic dihydride ash2  
117 AsH2+ Arsenic dihydride cation ash2+  
118 ND3 Ammonia-d3 nd3  
119 NH3+ ammonia cation nh3+  
120 O- Oxygen atom anion o-  
121 O+ Oxygen atom cation o+  
122 Cr Chromium atom cr  
123 DO Hydroxyl-d od  
124 DS Mercapto-d ds  
125 HS Mercapto radical hs  
126 D2O Deuterium oxide d2o  
127 D2S Hydrogen sulfide-d2 d2s  
128 H2S- Hydrogen sulfide anion h2s-  
129 Mn Manganese atom mn  
130 I Iodine atom iodine  
131 DF Hydrofluoric acid-d df  
132 DCl Hydrochloric acid-d dcl  
133 HI Hydrogen iodide hi  
134 HI+ Hydrogen iodide cation hi+  
135 H2F+ dihydrogen fluoride cation h2f+  
136 Ne Neon atom ne  
137 Ne- Neon atom anion ne-  
138 Ne+ Neon atom cation ne+  
139 Ar Argon atom ar  
140 Ar- Argon atom anion ar-  
141 Ar+ Argon atom cation ar+  
142 Fe Iron atom fe  
143 NeH neon hydrogen neh  
144 NeH+ neon hydrogen cation neh+  
145 Co Cobalt atom cobalt  
146 Ni Nickel atom ni  
147 Li2 Lithium diatomic li2  
148 Li2- lithium diatomic anion li2-  
149 Li2+ lithium diatomic cation li2+  
150 NaLi- lithium sodium anion lina-  
151 NaLi+ lithium sodium cation lina+  
152 LiK Lithium Potassium lik  
153 NaK Sodium Potassium nak  
154 K2 Potassium diatomic k2  
155 Cu2 Copper diatomic cu2  
156 LiBe Lithium Beryllium libe  
157 LiMg Lithium magnesium limg  
158 NaBe Sodium Beryllium nabe  
159 NaMg Sodium Magnesium namg  
160 Be2 Beryllium diatomic be2  
161 Be2- Beryllium diatomic anion be2-  
162 Be2+ Beryllium diatomic cation be2+  
163 Mg2 Magnesium diatomic mg2  
164 Mg2- magnesium diatomic anion mg2-  
165 Mg2+ magnesium diatomic cation mg2+  
166 Ca2 Calcium diatomic ca2  
167 LiB Lithium boride lib  
168 BeB Beryllium monoboride beb  
169 B2 Boron diatomic b2  
170 B2- Boron diatomic anion b2-  
171 B2+ Boron diatomic cation b2+  
172 Al2 Aluminum diatomic al2  
173 Al2- aluminum diatomic anion al2-  
174 Al2+ aluminum diatomic cation al2+  
175 Ga2 Gallium diatomic ga2  
176 LiBH4 Lithium borohydride libh4  
177 Al2H6 dialane al2h6  
178 Ga2H6 digallane ga2h6  
179 LiC Lithium Carbide lic  
180 BeC Beryllium Carbide bec  
181 BC boron monocarbide bc  
182 BC- boron monocarbide anion bc-  
183 BC+ boron monocarbide cation bc+  
184 AlC Aluminum carbide alc  
185 C2 Carbon diatomic c2  
186 C2- carbon diatomic anion c2-  
187 C2+ carbon diatomic cation c2+  
188 SiC silicon monocarbide sic  
189 SiC- silicon monocarbide anion sic-  
190 SiC+ silicon monocarbide cation sic+  
191 Si2 Silicon diatomic si2  
192 Si2- silcon diatomic anion si2-  
193 Si2+ silcon diatomic cation si2+  
194 Ge2 Germanium diatomic ge2  
195 C2H+ Ethynyl cation c2h+  
196 ZnCH2 Zinc methylene znch2  
197 CCH2 vinylidene vinylidene  
198 CuCH3 monomethyl copper cuch3  
199 ZnCH3 Zinc monomethyl znch3  
200 C2H4- Ethylene anion c2h4-  
201 CH3CH methylmethylene ch3ch  
202 CH2SiH2 silaethylene ch2sih2  
203 C2H5- Ethyl anion c2h5-  
204 C2H5+ Ethyl cation c2h5+  
205 C2H6+ ethane cation c2h6+  
206 CH3SiH3 methyl silane ch3sih3  
207 GeH3CH3 methyl germane geh3ch3  
208 C2H7+ Ethane, protonated c2h7+  
209 LiN+ Lithium Nitride cation lin+  
210 BeN Beryllium mononitride ben  
211 BeN- Beryllium mononitride anion ben-  
212 BeN+ Beryllium mononitride cation ben+  
213 BN- boron nitride anion bn-  
214 AlN- aluminum mononitride anion aln-  
215 AlN+ aluminum mononitride cation aln+  
216 AlP Aluminum monophosphide alp  
217 GaN Gallium mononitride gan  
218 BN boron nitride bn  
219 BN+ boron nitride cation bn+  
220 AlN Aluminum nitride aln  
221 CN- cyanide anion cn-  
222 CN+ Cyano cation cn+  
223 CP Carbon monophosphide cp  
224 CP- carbon monophosphide anion cp-  
225 CP+ carbon monophosphide cation cp+  
226 SiN Silicon nitride sin  
227 SiN- silicon mononitride anion sin-  
228 SiN+ silicon mononitride cation sin+  
229 SiP- Silicon monophosphide anion sip-  
230 SiP+ Silicon monophosphide cation sip+  
231 TiN Titanium mononitride tin  
232 N2+ diatomic nitrogen cation n2+  
233 PN- phosphorus nitride anion pn-  
234 PN+ phosphorus nitride cation pn+  
235 P2 Phosphorus diatomic p2  
236 P2- phosphorus diatomic anion p2-  
237 P2+ phosphorus diatomic cation p2+  
238 AsN Arsenic mononitride asn  
239 AsP Arsenic monophosphide asp  
240 SbN Antimony nitride sbn  
241 As2 Arsenic diatomic as2  
242 HNB hydrogen nitrogen boron hnb  
243 HNC hydrogen isocyanide hnc  
244 HCN- Hydrogen cyanide anion hcn-  
245 HCP Phosphaethyne hcp  
246 NNH Dinitrogen monohydride nnh  
247 HPO Hydrogen phosphorus oxide hpo  
248 HPO+ Hydrogen phosphorus oxide cation hpo+  
249 CNH2 Aminomethylidyne radical cnh2  
250 CNH2+ N-protonated hydrogen isocyanide cnh2+  
251 H2CN Dihydrogen cyanide radical h2cn  
252 H2CN+ hydrocyanonium cation h2cn+  
253 HCNH methyleneazane hcnh  
254 HCNH+ N-protonated HCN hcnh+  
255 N2H2 (E)-diazene n2h2  
256 N2H2 (Z)-Diazene n2h2z  
257 CH2PH Phosphaethene ch3p  
258 N2H4+ hydrazine cation n2h4+  
259 P2H4 Diphosphine p2h4  
260 CH3NH2+ methyl amine cation ch3nh2+  
261 CH3PH2 Methyl phosphine ch3ph2  
262 CH3NH3+ protonated methylamine ch3nh3+  
263 NH3NH3 Ammonia Dimer nh3nh3  
264 LiO lithium oxide lio  
265 LiO- lithium oxide anion lio-  
266 LiO+ lithium oxide cation lio+  
267 LiS Lithium monosulfide lis  
268 LiS+ Lithium sulfide cation lis+  
269 NaO sodium monoxide nao  
270 NaO- sodium oxide anion nao-  
271 NaO+ sodium oxide cation nao+  
272 KO Potassium monoxide ko  
273 KO+ Potassium monoxide cation ko+  
274 NaS Sodium sulfide nas  
275 CuO Copper Monoxide cuo  
276 BeO beryllium oxide beo  
277 BeO- Beryllium monoxide anion beo-  
278 BeO+ Beryllium monoxide cation beo+  
279 BeS beryllium sulfide bes  
280 MgO magnesium oxide mgo  
281 MgO- magnesium oxide anion mgo-  
282 MgO+ magnesium oxide cation mgo+  
283 MgS magnesium sulfide mgs  
284 MgS- magnesium sulfide anion mgs-  
285 MgS+ magnesium sulfide cation mgs+  
286 ZnO zinc monoxide zno  
287 ZnS Zinc sulfide zns  
288 BeS- Beryllium monosulfide anion bes-  
289 BeS+ Beryllium monosulfide cation bes+  
290 BO- boron monoxide anion bo-  
291 AlO Aluminum monoxide alo  
292 AlO- Aluminum monoxide anion alo-  
293 AlO+ aluminum monoxide cation alo+  
294 BS boron sulfide bs  
295 BS- boron monosulfide anion bs-  
296 BS+ boron monosulfide cation bs+  
297 AlS Aluminum sulfide als  
298 AlS- aluminum monosulfide anion als-  
299 AlS+ aluminum monosulfide cation als+  
300 ScO Scandium monoxide sco  
301 BO+ boron monoxide cation bo+  
302 CS carbon monosulfide cs  
303 CS- carbon monosulfide anion cs-  
304 CS+ carbon monosulfide cation cs+  
305 SiO- silicon monoxide anion sio-  
306 SiO+ silicon monoxide cation sio+  
307 SiS- silicon monosulfide anion sis-  
308 SiS+ silicon monosulfide cation sis+  
309 TiO Titanium monoxide tio  
310 CSe- Carbon monoselenide anion cse-  
311 CSe+ Carbon monoselenide cation cse+  
312 NS- nitrogen sulfide anion ns-  
313 NS+ nitrogen sulfide cation ns+  
314 PO- phosphorus monoxide anion po-  
315 PO+ phosphorus monoxide cation po+  
316 PS- phosphorus monosulfide anion ps-  
317 PS+ phosphorus monosulfide cation ps+  
318 VO Vanadium monoxide vo  
319 AsO Arsenic monoxide aso  
320 O2+ diatomic oxygen cation o2+  
321 SO- sulfur monoxide anion so-  
322 S2- sulfur diatomic anion s2-  
323 S2+ sulfur diatomic cation s2+  
324 SeO- selenium monoxide anion seo-  
325 SeO+ selenium monoxide cation seo+  
326 SeS Selenium monosulfide ses  
327 SeS- selenium monosulfide anion ses-  
328 SeS+ selenium monosulfide cation ses+  
329 Se2- selenium diatomic anion se2-  
330 Se2+ selenium diatomic cation se2+  
331 NaOH sodium hydroxide naoh  
332 MgOH magnesium hydroxide mgoh  
333 CaOH Calcium monohydroxide caoh  
334 HCS Thioformyl radical hcs  
335 HCS- Thioformyl anion hcs-  
336 HCS+ Thioformyl cation hcs+  
337 HNO- Nitrosyl hydride anion hno-  
338 HNS Sulfur imide hns  
339 HNS- Sulfur imide anion hns-  
340 HO2 Hydroperoxy radical ho2  
341 HO2- Hydroperoxy anion ho2-  
342 HS2 Thiosulfeno radical hs2  
343 HOCH hydroxycarbene hoch  
344 H2O2+ Hydrogen peroxide cation h2o2+  
345 CH2OH Hydroxymethyl radical ch2oh  
346 CH3O Methoxy radical ch3o  
347 CH3S thiomethoxy ch3s  
348 NH3O Ammonia Oxide nh3o  
349 H2POH Phosphinous acid h2poh  
350 H3PO Phosphine oxide h3po  
351 H3O2+ hydrogen peroxide, protonated h3o2+  
352 CH3OH- Methyl alcohol anion ch3oh-  
353 CH3SeH Methane selenol ch3seh  
354 CH3OH2+ Methanol, protonated ch3oh2+  
355 H2ONH3 Water Ammonia Dimer h2onh3  
356 LiCl- lithium chloride anion licl-  
357 LiCl+ lithium chloride cation licl+  
358 NaF sodium fluoride naf  
359 NaF- sodium fluoride anion naf-  
360 KF Potassium Fluoride kf  
361 NaCl Sodium Chloride nacl  
362 NaCl- sodium chloride anion nacl-  
363 NaCl+ sodium chloride cation nacl+  
364 KCl Potassium Chloride kcl  
365 CuF Copper monofluoride cuf  
366 LiBr- lithium bromide anion libr-  
367 LiBr+ lithium bromide cation libr+  
368 CuCl Copper monochloride cucl  
369 NaBr Sodium Bromide nabr  
370 NaBr- sodium bromide anion nabr-  
371 NaBr+ sodium bromide cation nabr+  
372 KBr Potassium Bromide kbr  
373 KI Potassium Iodide ki  
374 LiF- lithium fluoride anion lif-  
375 BeF Beryllium monofluoride bef  
376 BeF- Beryllium monofluoride anion bef-  
377 BeF+ Beryllium monofluoride cation bef+  
378 BeCl beryllium monochloride becl  
379 MgF Magnesium monofluoride mgf  
380 MgF- magnesium fluoride anion mgf-  
381 MgF+ magnesium fluoride cation mgf+  
382 CaF Calcium monofluoride caf  
383 MgCl magnesium monochloride mgcl  
384 MgCl- magnesium monochloride anion mgcl-  
385 MgCl+ magnesium monochloride cation mgcl+  
386 CaCl calcium monochloride cacl  
387 ZnF- Zinc monofluoride anion znf-  
388 ZnF+ Zinc monofluoride cation znf+  
389 ZnCl Zinc monochloride zncl  
390 BeCl- beryllium monochloride anion becl-  
391 BeCl+ beryllium monochloride cation becl+  
392 BF- Boron monofluoride anion bf-  
393 BF+ Boron monofluoride cation bf+  
394 AlF- Aluminum monofluoride anion alf-  
395 AlF+ Aluminum monofluoride cation alf+  
396 BCl boron monochloride bcl  
397 BCl- boron monochloride anion bcl-  
398 BCl+ boron monochloride cation bcl+  
399 AlCl Aluminum monochloride alcl  
400 AlCl- aluminum monochloride anion alcl-  
401 AlCl+ aluminum monochloride cation alcl+  
402 ScF Scandium monofluoride scf  
403 BBr Boron monobromide bbr  
404 CF- carbon monofluoride anion cf-  
405 CF+ carbon monofluoride cation cf+  
406 CCl carbon monochloride ccl  
407 CCl- carbon monochloride anion ccl-  
408 CCl+ carbon monochloride cation ccl+  
409 SiF- silicon monofluoride anion sif-  
410 SiCl- silicon monochloride anion sicl-  
411 SiCl+ silicon monochloride cation sicl+  
412 NF nitrogen fluoride nf  
413 NF- nitrogen monofluorine anion nf-  
414 NF+ nitrogen monofluoirde cation nf+  
415 NCl- nitrogen monochloride anion ncl-  
416 NCl+ nitrogen monochloride cation ncl+  
417 PF phosphorus monofluoride pf  
418 PF- phosphorus monofluoride anion pf-  
419 PF+ phosphorus monofluoride cation pf+  
420 PCl phosphorus chloride pcl  
421 PCl- phosphorus monochloride anion pcl-  
422 PCl+ phosphorus monochloride cation pcl+  
423 AsF Arsenic monofluoride asf  
424 NBr nitrogen monobromide nbr  
425 SbF Antimony monofluoride sbf  
426 SbCl Antimony monochloride sbcl  
427 FO- flourine oxide anion fo-  
428 FO+ fluorine monoxide cation fo+  
429 ClO- chlorine monoxide anion clo-  
430 SF- sulfur monofluoride anion sf-  
431 SCl sulfur monochloride scl  
432 SCl- sulfur monochloride anion scl-  
433 BrO- Bromine monoxide anion bro-  
434 SeF Selenium monofluoride sef  
435 ClF- clorine monofluoride anion clf-  
436 Cl2 Chlorine diatomic cl2  
437 Cl2- chlorine diatomic anion cl2-  
438 BrF- bromine fluoride anion brf-  
439 BrF+ bromine fluoride cation brf+  
440 BrCl- bromine chloride anion brcl-  
441 BrCl+ bromine chloride cation brcl+  
442 IF Iodine monofluoride if  
443 ICl Iodine monochloride icl  
444 IBr Iodine monobromide ibr  
445 I2 Iodine diatomic i2  
446 I2+ Iodine diatomic cation i2+  
447 HCCl Chloromethylene hccl  
448 CHBr bromomethylene chbr  
449 DOCl Hypochlorous acid-d docl  
450 HOBr Hypobromous acid hobr  
451 HOBr+ Hypobromous acid cation hobr+  
452 FHF Hydrogen difluoride fhf  
453 FHF- Hydrogen difluoride anion fhf-  
454 NH2F monofluoroamine nh2f  
455 H2F2 Hydrogen fluoride dimer h2f2  
456 CD3F methylfluoride-d3 cd3f  
457 CD3Cl methyl chloride d3 cd3cl  
458 CH3I methyl iodide ch3i  
459 Ne2 Neon diatomic ne2  
460 Ne2+ Neon diatomic cation ne2+  
461 Li3 Lithium trimer li3  
462 Li3+ Lithium trimer cation li3+  
463 C3+ carbon trimer cation c3+  
464 C3H3 cyclopropenyl radical cpr  
465 C3H3 Propargyl radical propargyl  
466 C3H3- Propargyl anion c3h3-  
467 C3H3+ cyclopropenyl cation cpr+  
468 C3H3+ Propargyl cation c3h3+  
469 C3H5 Allyl radical allyl  
470 C3H5+ Allyl cation allyl+  
471 CH3CHCH 1-propenyl radical ch3chch  
472 Zn(CH3)2 dimethyl zinc dmz  
473 SiH2(CH3)2 dimethylsilane dms  
474 NaCN Sodium Cyanide nacn  
475 CuCN Copper cyanide cucn  
476 CN2 3H-Diazirin-3-ylidene cn2  
477 NCN Cyanoimidogen ncn  
478 N3- azide anion n3-  
479 HCCN cyanomethylene hccn  
480 HCNN diazomethyl radical hcnn  
481 CH2N2 diazirine ch2n2  
482 CH2NN diazomethane ch2nn  
483 NH2CN cyanamide cyanamide  
484 CH3CN+ Acetonitrile cation ch3cn+  
485 CH3NC methyl isocyanide ch3nc  
486 CH2CHNH vinylazine ch2chnh  
487 CH3CHN methylmethaniminyl radical ch3chn  
488 NHCHNH2 aminomethanimine cn2h4  
489 C2H5N Aziridine c2h5n  
490 CH2CHNH2 aminoethene aminoethene  
491 CH2NCH3 N-methylmethanimine nmm  
492 CH3CHNH ethanimine ethanimine  
493 NH2BHNH2 diaminoborane nh2bhnh2  
494 NH2CH2NH2 diaminomethane nh2ch2nh2  
495 CH3NHCH3 Dimethylamine ch3nhch3  
496 NH2CH2NH3+ diaminoethane, protonated pdam  
497 Li2O+ dilithium oxide cation li2o+  
498 Li2S dilithium sulfide li2s  
499 CCO Dicarbon monoxide cco  
500 CNO- fulminate cno-  
501 NCO- cyanate nco-  
502 SCN thiocyanato radical scn  
503 SCN- thiocyanide anion scn-  
504 BO2 Boron dioxide bo2  
505 BO2- Boron dioxide anion bo2-  
506 BO2+ Boron dioxide cation bo2+  
507 N2O+ Nitrous oxide cation n2o+  
508 NNS Nitrogen sulfide nns  
509 PPO Phosphorus oxide phosphide ppo  
510 CO2- Carbon dioxide anion co2-  
511 CO2+ Carbon dioxide cation co2+  
512 OCS+ Carbonyl sulfide cation cos+  
513 SiO2 silicon dioxide sio2  
514 CS2- Carbon disulfide anion cs2-  
515 CS2+ Carbon disulfide cation cs2+  
516 TiO2 Titanium dioxide tio2  
517 SiS2 Silicon disulfide sis2  
518 GeS2 Germanium disulfide ges2  
519 CSe2 Carbon diselenide cse2  
520 NO2- Nitrogen dioxide anion no2-  
521 PO2 Phosphorus dioxide po2  
522 PO2- Phosphorus dioxide anion po2-  
523 PO2+ Phosphorus dioxide cation po2+  
524 AsO2 Aresenic dioxide aso2  
525 O3- Ozone anion o3-  
526 O3+ Ozone cation o3+  
527 SO2- Sulfur dioxide anion so2-  
528 SO2+ Sulfur dioxide cation so2+  
529 S3- Sulfur trimer anion s3-  
530 S3+ Sulfur trimer cation s3+  
531 CS2H+ Carbon disulfide, protonated cs2h+  
532 HNCO Isocyanic acid hnco  
533 HOCN cyanic acid hocn  
534 HCO2- formate anion hco2-  
535 HNNO nitrosoazane hnno  
536 HCOO formate neutral radical hcoo  
537 HOCO+ Hydrocarboxyl cation hoco+  
538 HNO2 Nitrous acid hno2  
539 HNO2+ nitrous acid cation hno2+  
540 CH2CO+ Ketene cation ch2co+  
541 HCCOH ethynol hccoh  
542 Mg(OH)2 Magnesium dihydroxide h2mgo2  
543 NH2NO Nitrosamide nh2no  
544 CH2O2 Dioxirane diox  
545 H2O3 Hydrogen trioxide h2o3  
546 HSSSH trisulfane hsssh  
547 NaOCH3 Sodium methoxide naoch3  
548 CH2CHO Vinyloxy radical ch2cho  
549 CH3CO Acetyl radical ch3co  
550 CH3CO- Acetyl anion ch3co-  
551 CH3CO+ acetyl cation ch3co+  
552 CHONH2 formamide formamide  
553 CH2OOH CH2OOH radical ch2ooh  
554 CH3OO methylperoxy radical ch3oo  
555 CH3OO- methylperoxy anion ch3oo-  
556 CH3OO+ methylperoxy cation ch3oo+  
557 CH2CHOH ethenol ch2choh  
558 H2CONH2+ protonated formamide h2conh2+  
559 NH3CHO+ Formamide, N-Protonated nh3cho+  
560 CH2(OH)2 methanediol ch2o2h2  
561 CH3OOH Methyl peroxide ch3ooh  
562 H2OH2CO water formaldehyde dimer h2oh2co  
563 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
564 CH3CH2O Ethoxy radical ethoxy  
565 CH3OCH2 methoxymethyl radical ch3och2  
566 CH3OHH2O methanol water dimer ch3ohh2o  
567 H2OCH3OH water methanol dimer h2och3oh  
568 CuF2 Copper difluoride cuf2  
569 ZnF2 Zinc difluoride znf2  
570 FCN Cyanogen fluoride fcn  
571 ClCN chlorocyanogen clcn  
572 BeF2 Beryllium fluoride bef2  
573 MgF2 Magnesium fluoride mgf2  
574 BeCl2 Beryllium chloride becl2  
575 MgCl2 Magnesium dichloride mgcl2  
576 CaCl2 Calcium Chloride cacl2  
577 ZnCl2 Zinc dichloride zncl2  
578 CaF2 Calcium difluoride caf2  
579 FCO Carbonyl fluoride fco  
580 FCO+ Carbonyl fluoride cation fco+  
581 ClCO carbonyl monochloride clco  
582 BrNO Nitrosyl bromide brno  
583 CF2- Difluoromethylene anion cf2-  
584 CF2+ Difluoromethylene cation cf2+  
585 CCl2 dichloromethylene ccl2  
586 CCl2- dichloromethylene anion ccl2-  
587 CCl2+ dichloromethylene cation ccl2+  
588 SiCl2 Dichlorosilylene sicl2  
589 GeF2 Germanium difluoride gef2  
590 FOO Dioxygen monofluoride radical foo  
591 ClOO chloroperoxy radical cloo  
592 ClOO+ chloroperoxy cation cloo+  
593 OClO+ Chlorine dioxide cation oclo+  
594 ClS2 Sulfur chloride cls2  
595 NF2 Difluoroamino radical nf2  
596 NF2+ Difluoroamino cation nf2+  
597 F2O Difluorine monoxide f2o  
598 SF2- sulfur difluoride anion sf2-  
599 SF2+ sulfur difluoride cation sf2+  
600 Cl2O Dichlorine monoxide cl2o  
601 SCl2 Sulfur dichloride scl2  
602 BrOCl Bromine hypochlorite brocl  
603 BrOBr Bromine oxide brobr  
604 F3- trifluoride anion f3-  
605 Cl3- trichloride anion cl3-  
606 HCCF+ fluoroacetylene cation hccf+  
607 HCCCl Chloroacetylene hcccl  
608 HFCO formyl fluoride hfco  
609 HFCO+ formyl fluoride cation hfco+  
610 COHCl Formyl chloride cohcl  
611 COHBr Formyl bromide cohbr  
612 BHF2 Difluoroborane bhf2  
613 BHCl2 Borane, dichloro- bhcl2  
614 HOClO Chlorous acid hoclo  
615 CH2FCl fluorochloromethane ch2fcl  
616 CH2CHF+ fluoroethene cation ch2chf+  
617 C2H3Cl Ethene, chloro- ch2chcl  
618 C2H3Br vinyl bromide c2h3br  
619 CH3OCl methyl hypochlorite ch3ocl  
620 C2H5F fluoroethane c2h5f  
621 CH3CH2Cl Ethyl chloride c2h5cl  
622 CH3SiFH2 fluoromethylsilane ch3sifh2  
623 KrF2 Krypton difluoride krf2  
624 B4H10 Tetraborane(10) b4h10  
625 C4+ Carbon tetramer cation c4+  
626 C4H2 Diacetylene c4h2  
627 C2H3CCH 1-Buten-3-yne c2h3cch  
628 C4H4 cyclobutadiene cbd  
629 H2CCCCH2 Butatriene h2cccch2  
630 C4H6 Cyclobutene c822355  
631 C4H6 Methylenecyclopropane c6142730  
632 CH2CCHCH3 1,2-Butadiene butad12  
633 CH2CHCHCH2 1,3-Butadiene c106990  
634 CH3CCCH3 2-Butyne c503173  
635 CHCCH2CH3 1-Butyne c107006  
636 CH3CHCHCH2 methylallyl radical c4h7  
637 C4H8 methylcyclopropane mcp  
638 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
639 CH3CHCHCH3 2-Butene, (E)- bute2e  
640 CH3CHCHCH3 2-Butene, (Z)- bute2z  
641 B(CH3)3 trimethylborane bme3  
642 Al(CH3)3 trimethyl aluminum tma  
643 C(CH3)3 Tert-butyl radical tbutyl  
644 CH2CH(CH3)2 Isobutyl radical isobutyl  
645 CH3CHCH2CH3 2-Butyl radical butyl2  
646 CH3CH(CH3)CH3 Isobutane isobutane  
647 SiH(CH3)3 trimethylsilane trimsi  
648 Li3N trilithium nitride li3n  
649 C2N2+ Cyanogen cation c2n2+  
650 P4 Phosphorus tetramer p4  
651 HCCCN Cyanoacetylene hcccn  
652 C3H3N acrylonitrile ch2chcn  
653 C3H3N+ acrylonitrile cation ch2chcn+  
654 CH5N3 Guanidine guanidine  
655 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
656 CH6N3+ guanidinium ch6n3+  
657 C3H7N Cyclopropylamine cpram  
658 C3H7N Azetidine azet  
659 C2H8N2 Ethylenediamine ethdiam  
660 CH3NHNHCH3 dimethyl hydrazine dmh  
661 CH3CH(NH2)CH3 2-Propanamine pram2  
662 N(CH3)3 Trimethylamine trimeam  
663 P(CH3)3 trimethylphosphine tmp  
664 As(CH3)3 trimethyl arsine tmas  
665 Li2O2 dilithium dioxide li2o2  
666 Na2O2 disodium dioxide na2o2  
667 B2O2 Diboron dioxide b2o2  
668 CO3 Carbon trioxide co3  
669 CO3-- carbonate co3--  
670 NO3 Nitrogen trioxide no3  
671 NO3+ nitrogen trioxide cation no3+  
672 SO3- Sulfur trioxide anion so3-  
673 SO3+ Sulfur trioxide cation so3+  
674 SeO3 selenium trioxide seo3  
675 HCO3- bicarbonate anion hco3-  
676 HSO3 Hydroxysulfonyl radical hso3  
677 C2H2CO cyclopropenone c2h2co  
678 HCCCHO 2-propynal hcccho  
679 C2H2O2+ Ethanedial cation c2h2o2+  
680 H2CO3 Carbonic acid h2co3  
681 H2CS3 thiocarbonic acid h2cs3  
682 H2NO3+ Nitric Acid, Protonated h2no3+  
683 H2SO3 Sulfurous acid h2so3  
684 CH3COO- acetate anion ch3coo-  
685 CH3ONO Methyl nitrite ch3ono  
686 NH2COOH Carbamic acid nh2cooh  
687 H3BO3 Boric acid h3bo3  
688 H3CO3+ carbonic acid, protonated h3co3+  
689 C3H4O 2-Propyn-1-ol c107197  
690 C3H4O allenol c9000071  
691 C3H4O Cyclopropanone cpone  
692 C3H4O Methylketene c6004440  
693 NH2CONH2+ Urea cation urea+  
694 NH2CSNH2 Thiourea thiourea  
695 C2H4O2 1,3-dioxetane c2h4o2  
696 CH3COOH Acetic acid ch3cooh  
697 CH3OCHO methyl formate ch3ocho  
698 CHOCH2OH hydroxy acetaldehyde haa  
699 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
700 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
701 HCOOHH2O Formic acid water dimer hcoohh2o  
702 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
703 CH3COCH2 Acetonyl radical ch3coch2  
704 CH3CONH2 Acetamide acetamide  
705 C2H5OO ethylperoxy radical c2h5oo  
706 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
707 C3H6O 2-Propen-1-ol c107186  
708 C3H6O Oxetane oxetane  
709 C3H6O Propylene oxide prox  
710 CH3COCH3- acetone anion ch3coch3-  
711 C3H6S Thietane thietane  
712 C3H6S Thiirane, methyl- methiirane  
713 CH3CSCH3 Thioacetone ch3csch3  
714 C2H6O2 1,2-Ethanediol ethdiol  
715 CH3OOCH3 dimethylperoxide dmp  
716 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
717 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
718 CH3COHCH3+ acetone, protonated acetoneh+  
719 HOCH2CH2NH2 monoethanolamine mea  
720 CH3CHOHCH3 Isopropyl alcohol isoproh  
721 CH3OC2H5 Ethane, methoxy- etome  
722 C3H7SH 1-Propanethiol prsh  
723 CH3CHSHCH3 2-Propanethiol isoprsh  
724 CH3SCH2CH3 Ethane, (methylthio)- etsme  
725 H2OCH3OCH3 water dimethylether dimer h2och3och3  
726 Na2F2 Sodium Fluoride Dimer na2f2  
727 Na2Cl2 Disodium dichloride na2cl2  
728 C2F2 difluoroacetylene c2f2  
729 C2Cl2 dichloroacetylene c2cl2  
730 C2Cl2+ dichloroacetylene cation c2cl2+  
731 ClNO2 Nitryl chloride clno2  
732 BrONO Bromine nitrite brono  
733 N2F2 (Z)-Difluorodiazene n2f2_z  
734 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
735 COFCl Carbonic chloride fluoride cofcl  
736 CCl2O Phosgene cl2co  
737 Cl2CS Thiophosgene cl2cs  
738 COBr2 Carbonic dibromide cobr2  
739 BF3 Borane, trifluoro- bf3  
740 BF3- Borane, trifluoro- anion bf3-  
741 AlF3 Aluminum trifluoride alf3  
742 AlF2Cl Aluminum chloride difluoride alclf2  
743 ScF3 Scandium trifluoride ScF3  
744 AlFCl2 Aluminum dichloride fluoride alcl2f  
745 AlCl3 Aluminum trichloride alcl3  
746 BBr3 Boron tribromide bbr3  
747 AlBr3 Aluminum Bromide albr3  
748 ClO3 Chlorine trioxide clo3  
749 ClO3- chlorate anion clo3-  
750 BrO3- Bromate anion bro3-  
751 CF3 Trifluoromethyl radical cf3  
752 CF3- Trifluoromethyl anion cf3-  
753 CF3+ Trifluoromethyl cation cf3+  
754 CCl3 Trichloromethyl radical ccl3  
755 CCl3- Trichloromethyl anion ccl3-  
756 CCl3+ Trichloromethyl cation ccl3+  
757 SiCl3 trichlorosilyl radical sicl3  
758 SiCl3+ trichlorosilyl cation sicl3+  
759 FOOF Perfluoroperoxide foof  
760 F2SO Thionyl Fluoride f2so  
761 FSSF Difluorodisulfane fssf  
762 S2F2 Thio-thionyl fluoride s2f2  
763 SOCl2 thionyl chloride socl2  
764 SeOCl2 selenium oxychloride seocl2  
765 NF3- Nitrogen trifluoride anion nf3-  
766 NF3+ Nitrogen trifluoride cation nf3+  
767 PF3 Phosphorus trifluoride pf3  
768 AsF3 Arsenic trifluoride asf3  
769 PCl3 Phosphorus trichloride pcl3  
770 PBr3 Phosphorus tribromide pbr3  
771 AsBr3 Arsenic tribromide asbr3  
772 ClSSCl Disulfur dichloride s2cl2  
773 SF3 Sulfur trifluoride sf3  
774 BrF3 Bromine trifluoride brf3  
775 CHF2Cl difluorochloromethane chf2cl  
776 CHFCl2 fluorodichloromethane chfcl2  
777 CDCl3 trichloromethane-d cdcl3  
778 SiHCl3 Trichlorosilane sihcl3  
779 CHCl2I dichloroiodomethane chcl2i  
780 CHClBr2 Methane, dibromochloro- chclbr2  
781 CHBr3 bromoform chbr3  
782 CHI3 Iodoform chi3  
783 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
784 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
785 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
786 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
787 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
788 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
789 C2H2Br2 1,1-dibromoethene c2h2br2  
790 CH2FCHO Fluoroacetaldehyde ch2fcho  
791 CH3COF Acetyl fluoride ch3cof  
792 CH2ClCHO chloroacetaldehyde ch2clcho  
793 CH3COCl Acetyl Chloride ch3cocl  
794 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
795 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
796 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
797 CH2CFCH3 2-fluoropropene 2fpro  
798 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
799 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
800 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
801 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
802 CH3CH2CH2Br n-propyl bromide prbr  
803 CH3CHBrCH3 i-propyl bromide iprbr  
804 C3H9O+ trimethyl oxonium cation c3h9o+  
805 C5H5 cyclopentadienyl radical c5h5  
806 C5H5- cylopentadienyl anion c5h5-  
807 C5H6 1,3-Cyclopentadiene c542927  
808 C5H6 1-Buten-3-yne, 2-methyl- c78808  
809 C5H6 3-Penten-1-yne, (E)- c2004695  
810 C5H6 3-Penten-1-yne, (Z)- c1574409  
811 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
812 C5H6 Cyclopropylacetylene c6746947  
813 C5H7 1,3-pentadienyl radical pdyl  
814 C5H7 cyclopentenyl radical cpyl  
815 C5H8 1,2-Butadiene, 3-methyl- c598254  
816 C5H8 1,2-Pentadiene c591957  
817 C5H8 1,3-Butadiene, 2-methyl- c78795  
818 C5H8 1,3-Pentadiene, (E)- c2004708  
819 C5H8 1,3-Pentadiene, (Z)- c1574410  
820 C5H8 1,4-Pentadiene c591935  
821 C5H8 1-pentyne a1pentyne  
822 C5H8 2,3-Pentadiene c591968  
823 C5H8 Cyclobutane, methylene- c1120565  
824 C5H8 Cyclopentene c142290  
825 C5H8 Ethenylcyclopropane c693867  
826 CH3CCCH2CH3 2-Pentyne 2pentyne  
827 C5H10 1-Butene, 2-methyl- c563462  
828 C5H10 2-Butene, 2-methyl- c513359  
829 C5H10 2-Pentene, (E)- c646048  
830 C5H10 2-Pentene, (Z)- c627203  
831 C5H10 Cyclopentane c287923  
832 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
833 CH2CHCH2CH2CH3 1-pentene pentene  
834 C5H11 2-Methylbut-2-yl radical c4348350  
835 C5H12 Butane, 2-methyl- buta2  
836 C5H12 Pentane pentane  
837 C5H12 Propane, 2,2-dimethyl- neopentane  
838 Si(CH3)4 tetramethylsilane tms  
839 N2O3 Dinitrogen trioxide n2o3  
840 C3H2N2 Malononitrile c3h2n2  
841 CH2N4 1H-Tetrazole 1htz  
842 C3H3N2 imidazolyl radical im  
843 C3H3N2- imidizolyl anion im-  
844 C2H3N3 1H-1,2,4-Triazole c288880  
845 C4H4N pyrrolide radical c4h4n  
846 C4H4N- pyrrolide anion c4h4n-  
847 C3H4N2 1H-Pyrazole 1hpyraz  
848 C4H5N (E)-2-Butenenitrile c627269  
849 C4H5N (Z)-2-Butenenitrile c1190767  
850 C4H5N 2H-pyrrole pyrrole2  
851 C4H5N 3H-pyrrole pyrrole3  
852 C4H5N Cyclopropanecarbonitrile c5500210  
853 CH2CHCH2CN Allylcyanide ch2chch2cn  
854 C3H6N2 3-Aminopropionitrile c151188  
855 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
856 CH3CH2CH2CN Butanenitrile c109740  
857 C5H8 Bicyclo[2.1.0]pentane c185944  
858 C5H8 Spiropentane c157404  
859 C4H9N Cyclobutylamine cbam  
860 C4H9N Pyrrolidine pyrrolidine  
861 C3H10N2 1,2-Diaminopropane diampr12  
862 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
863 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
864 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
865 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
866 NC4H12+ tetramethyl ammonium cation nc4h12+  
867 C3O2+ Carbon suboxide cation c3o2+  
868 CaCO3 Calcium Carbonate caco3  
869 ONONO Nitrosyl nitrite onono  
870 PO4--- phosphate po4---  
871 SO4-- sulfate so4--  
872 HOONO2 peroxy nitric acid hoono2  
873 HSO4- bisulfate anion hso4-  
874 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
875 C3H2O2 Propiolic acid c3h2o2  
876 CHOCOOH oxo acetic acid oaa  
877 H2SO4 Sulfuric acid h2so4  
878 H2SeO4 Selenic acid h2seo4  
879 C3H3NO Oxazole oxazole  
880 CH3C(O)OO acetyl peroxy radical ch3coo2  
881 CH3NO3 Methyl nitrate ch3no3  
882 H3PO4 Phosphoric Acid h3po4  
883 C4H4O+ Furan cation furan+  
884 C4H4S Thiophene furans  
885 C3H4O2 β–Propiolactone beta  
886 C3H4O2 2-Propenoic acid propenoic2  
887 C3H4O2 Methyl glyoxal megly  
888 C3H4O2 propanedial propanedial  
889 C3H4O2 propenalol propenalol  
890 HOCHCCHOH allenediol aldiol  
891 C2H4O3 1,2,3-trioxolane c2h4o3  
892 C2H4O3 trioxolane124 triox  
893 HOCH2COOH Hydroxyacetic acid hac  
894 CH2CHCONH2 Acrylamide c79061  
895 CH5N3S Hydrazinecarbothioamide c79196  
896 H2NCH2COOH Glycine glycine  
897 C4H6O cis-2-butenal butenal2c  
898 C4H6O Cyclobutanone cbutone  
899 C4H6O Furan, 2,3-dihydro- furan23h  
900 C4H6O Furan, 2,5-dihydro- furan25h  
901 CH2CHOCHCH2 Vinyl ether vinylether  
902 CHOCHCHCH3 2-Butenal butenal2  
903 C4H6S Thiophene, 2,3-dihydro- thiop23h  
904 C4H6S Thiophene, 2,5-dihydro- thiop25h  
905 C2H6N2O Urea, methyl- c598505  
906 C3H6O2 1,3-Dioxolane dioxolane  
907 CH3CH2COOH Propanoic Acid propanoic  
908 CH3COOCH3 methyl acetate aame  
909 CH3SSSCH3 dimethyl trisulfide c2h6s3  
910 C3H7NO dimethylformamide dmf  
911 C3H7NO Propanamide propanam  
912 C2H3OC2H5 Ethene, ethoxy- c109922  
913 C4H8O Cyclobutanol c2919235  
914 C4H8O Furan, tetrahydro- thf  
915 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
916 CH3COCH2CH3 2-Butanone buta2one  
917 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
918 CHOCH2CH2CH3 Butanal butanal  
919 C3H8O2 1,3-Propanediol c504632  
920 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
921 C3H8O2 Methane, dimethoxy- c109875  
922 C3H8O2 Propylene glycol c57556  
923 C3H8S2 1,3-Propanedithiol c109808  
924 C4H10O 1-Butanol butanol1  
925 C4H10O 1-Propanol, 2-methyl- c78831  
926 C4H10O 2-Butanol, (.+/-.)- butanol2  
927 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
928 C4H10O Propane, 2-methoxy- c598538  
929 C4H10O+ 1-Butanol cation butanol1+  
930 C2H5SC2H5 Diethyl sulfide etset  
931 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
932 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
933 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
934 FNO3 Fluorine nitrate fno3  
935 ClONO2 Chlorine nitrate clono2  
936 BrONO2 Bromine nitrate brono2  
937 TiCl4 Titanium tetrachloride ticl4  
938 ClO4- perchlorate anion clo4-  
939 BF4- tetrafluoroboron anion bf4-  
940 ClFO3 Perchloryl fluoride clfo3  
941 SO2F2 Sulfuryl fluoride so2f2  
942 SO2Cl2 Sulfuryl chloride so2cl2  
943 F3NO Nitrogen trifluoride oxide f3no  
944 F3PO Phosphoryl fluoride pf3o  
945 Cl3PO Phosphoryl chloride pcl3o  
946 CF4 Carbon tetrafluoride cf4  
947 SiF4 Silicon tetrafluoride sif4  
948 TiF4 Titanium tetrafluoride tif4  
949 CFCl3 Trichloromonofluoromethane cfcl3  
950 CCl4+ Carbon tetrachloride cation ccl4+  
951 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
952 SiCl4 Silane, tetrachloro- sicl4  
953 CF3I trifluoroiodomethane cf3i  
954 CBrCl3 Methane, bromotrichloro- cbrcl3  
955 CBr2F2 Methane, dibromodifluoro- cbr2f2  
956 GeCl4 Germanium Tetrachloride gecl4  
957 CBr3I tribromoiododmethane cbr3i  
958 C2HF3 Trifluoroethylene c2hf3  
959 C2HF3+ Trifluoroethylene cation c2hf3+  
960 CHClCCl2 Trichloroethylene chclccl2  
961 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
962 HClO4 perchloric acid hclo4  
963 HSO3F Fluorosulfonic acid hso3f  
964 CF3OH trifluoromethanol cf3oh  
965 CHClCCHCl 1,3-dichloroallene chclcchcl  
966 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
967 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
968 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
969 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
970 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
971 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
972 SiCl3CH3 methyltrichlorosilane sicl3ch3  
973 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
974 NH3BCl3 Amminetrichloroboron nh3bcl3  
975 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
976 C3H5ClO Oxirane, (chloromethyl)- c106898  
977 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
978 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
979 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
980 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
981 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
982 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
983 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
984 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
985 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
986 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
987 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
988 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
989 C4H9F 1-fluorobutane butaf1  
990 CH3CHFCH2CH3 2-fluorobutane butaf2  
991 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
992 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
993 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
994 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
995 C6H2 hexatriyne c6h2  
996 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
997 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
998 C6H4 Benzyne benzyne  
999 C6H5 phenyl phenyl  
1000 C6H5- phenyl anion phenyl-  
1001 C6H6 2,4-Hexadiyne hexadiyne  
1002 C6H6 3,4-Dimethylenecyclobutene cb34m  
1003 C6H6 Trimethylenecycopropane tmcp  
1004 C6H6+ Benzene cation c6h6+  
1005 C6H8 (E)-hexa-1,3,5-triene c821078  
1006 C6H8 (E)-hexa-2,3,4-triene c59660650  
1007 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1008 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1009 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1010 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1011 C6H8 3-Methylenecyclopentene c930267  
1012 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1013 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1014 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1015 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1016 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1017 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1018 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1019 C6H10 1,5-Hexadiene c592427  
1020 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1021 C6H10 1-Hexyne hexyne1  
1022 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1023 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1024 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1025 C6H10 2-Hexyne c764352  
1026 C6H10 cyclohexene cyclohexene  
1027 C6H10 Cyclopentene, 1-methyl- c693890  
1028 C6H10 Cyclopentene, 3-methyl- c1120623  
1029 C6H10 Cyclopentene, 4-methyl- c1759815  
1030 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1031 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1032 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1033 C6H12 (E)-2-Hexene e2hexene  
1034 C6H12 (E)-3-methylpent-2-ene c616126  
1035 C6H12 (E)-hex-3-ene e3hexene  
1036 C6H12 (Z)-3-methylpent-2-ene c922623  
1037 C6H12 (Z)-hex-2-ene z2hexene  
1038 C6H12 (Z)-hex-3-ene z3hexene  
1039 C6H12 2,3-dimethylbut-1-ene c563780  
1040 C6H12 2,3-dimethyl-but-2-ene tmeet  
1041 C6H12 3-methylenepentane c760214  
1042 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1043 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1044 C6H12 Cyclohexane cyclohexane  
1045 C6H12 Cyclopentane, methyl- c96377  
1046 C6H12 Ethylcyclobutane c4806615  
1047 C6H12 hex-1-ene hexene1  
1048 C6H14 Butane, 2,2-dimethyl- buta22  
1049 C6H14 Butane, 2,3-dimethyl- buta23  
1050 C6H14 Hexane hexane  
1051 C6H14 Pentane, 2-methyl- penta2  
1052 C6H14 Pentane, 3-methyl- penta3  
1053 C4N2 2-Butynedinitrile c4n2  
1054 C4H2N2 Fumaronitrile c4h2n2  
1055 C2H2N4 sym-tetrazine ttz  
1056 C3H3N3 1,3,5-Triazine triazine135  
1057 CH3N5 5-Aminotetrazole c4418615  
1058 C4H4N2 1,3-Diazine diazine13  
1059 C4H4N2 Pyrazine pyrazine  
1060 C4H4N2 Pyridazine pyridazine  
1061 C4H4N2 Succinonitrile c110612  
1062 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1063 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1064 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1065 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1066 C5H5N E-2,4-pentadienenitrile bdcn  
1067 C5H5N Pyridine pyridine  
1068 B3N3H6 borazine borazine  
1069 C6H6 Fulvene fulvene  
1070 C5H6N+ Pyridinium c5h6n  
1071 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1072 C5H7N (E)-2-Pentenenitrile c26294984  
1073 C5H7N (E)-3-Pentenenitrile c16529661  
1074 C5H7N (Z)-2-Pentenenitrile c25899507  
1075 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1076 C5H7N Cyclobutanecarbonitrile c4426113  
1077 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1078 C5H9N Butanenitrile, 2-methyl- c18936179  
1079 C5H9N Pentanenitrile c110598  
1080 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1081 C6H10 Bicyclo[3.1.0]hexane c285585  
1082 C5H11N Cyclopentanamine cypentam  
1083 C5H11N Piperidine piper  
1084 C4H12N2 1,2-Butanediamine c4426486  
1085 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1086 Li2CO3 Lithium Carbonate li2co3  
1087 Na2CO3 Sodium Carbonate na2co3  
1088 C2O4-- oxalate anion c2o4  
1089 C2H3NO3 Oxamic acid oxamic  
1090 C4H4O2 2(5H)-Furanone furanone  
1091 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1092 C2H4N2O2 Oxalamide oxalamide  
1093 C2H4CO3 Ethylene carbonate etco3  
1094 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1095 C3H4S3 1,3-Dithiolane-2-thione c822388  
1096 C4H5NO 3-Methylisoxazole isox3m  
1097 C4H5NO Isoxazole, 5-methyl- c5765446  
1098 C4H5NS 4-Methylthiazole c693958  
1099 C2H5NO3 Nitric acid, ethyl ester c625581  
1100 C5H6O 2-methylfuran furan2m  
1101 C5H6O 3-Methylfuran furan3m  
1102 C5H6S Thiophene, 2-methyl- c554143  
1103 C5H6S Thiophene, 3-methyl- c616444  
1104 C4H6O2 2,3-Butanedione c431038  
1105 C4H6O2 2-Propenoic acid, methyl ester c96333  
1106 C4H6O2 Crotonic Acid crot  
1107 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1108 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1109 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1110 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1111 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1112 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1113 C4H6OS Vinyl sulfoxide c1115157  
1114 CH6N4S Carbonothioic dihydrazide thiacarb  
1115 C2H6N2O2 (E)-Azodioxymethane c37765154  
1116 C2H6N2O2 Dimethylnitroamine c4164287  
1117 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1118 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1119 C4H7NO 2-Pyrrolidinone c616455  
1120 C4H7NO Ethoxyacetonitrile etoaccn  
1121 C4H7NO Methacrylamide c79390  
1122 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1123 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1124 C3H7ONO Propyl nitrite prono  
1125 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1126 CH3CH(NH2)COOH Alanine alanine  
1127 CH3NHCH2COOH Sarcosine sarcosine  
1128 NH2CH2CH2COOH β–alanine betaalanine  
1129 NH2COOC2H5 Urethane urethane  
1130 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1131 C5H8O Cyclopentanone c120923  
1132 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1133 C5H8O Methyl cyclopropyl ketone c765435  
1134 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1135 NH2CONHC2H5 Urea, ethyl- c625525  
1136 C4H8O2 1,3-Dioxane dioxan13  
1137 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1138 C4H8O2 1,4-Dioxane dioxan14  
1139 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1140 C4H8OS s-Ethyl thioacetate c625605  
1141 C3H8O3 1,2,3-Propanetriol glycerin  
1142 C3H8O2S (Methylsulfonyl)ethane c594434  
1143 C4H9NO Butanamide c541355  
1144 C4H9NO Propanamide, 2-methyl- c563837  
1145 C5H10O 2-Butanone, 3-methyl- c563804  
1146 C5H10O 2H-Pyran, tetrahydro- c142687  
1147 C5H10O 2-methylbutyraldehyde 2meba  
1148 C5H10O 2-Pentanone mpk  
1149 C5H10O Cyclopentanol c96413  
1150 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1151 C5H10O Pentanal pal  
1152 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1153 C5H10S 3-Ethylthio-1-propene c5296628  
1154 C5H10S Cyclopentanethiol c1679078  
1155 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1156 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1157 C4H10O2 1,1-Dimethoxyethane c534156  
1158 C4H10O2 1,3-Butanediol budiol13  
1159 C4H10O2 1,4-Butanediol budiol14  
1160 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1161 C4H10OS Diethyl sulfoxide c70291  
1162 C4H10S2 1,4-Butanedithiol budisl14  
1163 C4H11NO Diethylhydroxylamine c3710847  
1164 C5H12O 1-Butanol, 2-methyl- c137326  
1165 C5H12O 1-Butanol, 3-methyl- c123513  
1166 C5H12O 1-Pentanol pentanol1  
1167 C5H12O 2-Butanol, 3-methyl- c598754  
1168 C5H12O 2-Pentanol peol2  
1169 C5H12O 3-Pentanol pentan3ol  
1170 C5H12O Butane, 1-methoxy- meobu  
1171 C5H12O Propane, 1-ethoxy- proet  
1172 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1173 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1174 C5H12S 1-Butanethiol, 3-methyl- c541311  
1175 C5H12S 1-Pentanethiol c110667  
1176 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1177 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1178 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1179 C5H12S Butane, 1-(methylthio)- c628295  
1180 C5H12S Ethyl propyl sulfide c4110503  
1181 C5H12S Propane, 2-(ethylthio)- c5145993  
1182 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1183 CF3CN Acetonitrile, trifluoro- cf3cn  
1184 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1185 B2F4 Diboron tetrafluoride b2f4  
1186 B2Cl4 Diboron tetrachloride b2cl4  
1187 C2F4 Tetrafluoroethylene c2f4  
1188 C2F4+ Tetrafluoroethylene cation c2f4+  
1189 C2FCl3 fluorotrichloroethene c2fcl3  
1190 C2Cl4 Tetrachloroethylene c2cl4  
1191 CF3OF Trifluoromethylhypofluorite cf3of  
1192 AsF5 Arsenic pentafluoride asf5  
1193 PCl5 Phosphorus pentachloride pcl5  
1194 SF5 Sulfur pentafluoride sf5  
1195 SbCl5 Antimony pentachloride sbcl5  
1196 BrF5 bromine pentafluoride brf5  
1197 ClF5 chlorinepentafluoride clf5  
1198 CF3CHO trifluoroacetaldehyde cf3cho  
1199 CCl3CHO trichloroacetaldehyde ccl3cho  
1200 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1201 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1202 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1203 CF3COOH trifluoroacetic acid cf3cooh  
1204 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1205 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1206 C4H8Cl2 1,4-Dichlorobutane c110565  
1207 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1208 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1209 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1210 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1211 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1212 C5H11Cl Pentane, 1-chloro- pencl1  
1213 C6H5CH2 benzyl radical benzyl  
1214 C6H5CH3 toluene toluene  
1215 C7H8 cycloheptatriene cht  
1216 C7H8 Norbornadiene norbor  
1217 C7H8 Quadricyclane qucy  
1218 C7H12 Norbornane nor  
1219 C7H14 cycloheptane c7h14  
1220 C7H16 2-methylhexane 2mhex  
1221 C7H16 3-methylhexane hex3m  
1222 C7H16 heptane heptane  
1223 C6H7N 2-Methylpyridine mp  
1224 C6H5NH2 aniline aniline  
1225 C6H13N 2-Methylpiperidine pip2m  
1226 C6H13N cyclohexanamine cham  
1227 C6H15N triethylamine tea  
1228 N2O5 Dinitrogen pentoxide n2o5  
1229 C4H2O3 Maleic Anhydride malan  
1230 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1231 C6H5O phenoxy radical phenoxy  
1232 C5H5NO 2(1H)-Pyridinone c72762006  
1233 C5H5NO 2(3H)-Pyridinone c9000048  
1234 C5H5NO 2(5H)-Pyridinone c9000037  
1235 C5H5NO 2-Pyridinol c109104  
1236 C5H5NO 3(2H)-Pyridinone c9000004  
1237 C5H5NO 3(4H)-Pyridinone c9000026  
1238 C5H5NO 3(6H)-Pyridinone c9000015  
1239 C5H5NO 3-Pyridinol c109002  
1240 C5H5NO 4(1H)-Pryidinone c9000060  
1241 C5H5NO 4(3H)-Pryidinone c9000059  
1242 C5H5NO 4-Pyridinol c626642  
1243 C6H5OH phenol phenol  
1244 C6H6O 2,4-Cyclohexadienone c24599573  
1245 C6H6O 2,5-Cyclohexadienone c5664335  
1246 C6H5SH Benzenethiol phsh  
1247 HO2CCHNH2CH2OH Serine serine  
1248 C5H8O2 Acetylacetone acac  
1249 C4H8O2S Sulfolane sulfolane  
1250 CH(C2H3)3 trivinyl methane tvm  
1251 C6H10O cyclohexanone chexo  
1252 C6H12O hexanal c6h12o  
1253 C3H7OC3H7 di-n-propyl ether propr  
1254 CF3COCl trifluoroacetyl chloride cf3cocl  
1255 PF6- Hexafluorophosphate ion pf6-  
1256 SeF6 Selenium hexafluoride sef6  
1257 SF5Cl sulfur chloropentafluoride sf5cl  
1258 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1259 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1260 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1261 CCl3CHCl2 pentachloroethane ccl3chcl2  
1262 C6H5F Fluorobenzene bzf  
1263 C6H5Cl chlorobenzene bzcl  
1264 C6H5Br bromobenzene bzbr  
1265 C8H6 Calicene calicene  
1266 C6H5CCH phenylacetylene phac  
1267 C8H6 benzocyclobutadiene bcbd  
1268 C8H6 Pentalene pentalene  
1269 C6H5CHCH2 Styrene styrene  
1270 C8H8 cyclooctatetraene cot  
1271 C6H5CH2CH3 Ethylbenzene etbz  
1272 CH3C6H4CH3 meta-xylene mxylene  
1273 CH3C6H4CH3 paraxylene pxylene  
1274 C8H14 Bicyclo[2.2.2]octane bico222  
1275 C8H16 cyclooctane cyclooct  
1276 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1277 C8H18 Octane c8h18  
1278 C6H5CN phenyl cyanide phcn  
1279 C6H12N2 Triethylenediamine ted  
1280 C4O4-- squarate dianion c4o4--  
1281 S8 Octasulfur s8  
1282 C6H4O2 parabenzoquinone pbq  
1283 C4H4N2O2 Uracil uracil  
1284 C6H5OCH3 Anisole anisole  
1285 C5H9NO2 Proline proline  
1286 C6H12O2 Methyl pivalate c598981  
1287 C6H12O2 Hexanoic acid hexa  
1288 C4F4 tetrafluorcyclobutadiene c4f4  
1289 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1290 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1291 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1292 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1293 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1294 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1295 C2F6 hexafluoroethane c2f6  
1296 IF7 Iodine heptafluoride if7  
1297 C6H4F2 metadifluorobenzene mdfb  
1298 C6H4F2 orthodifluorobenzene odfb  
1299 C6H4Cl2 1,3-dichlorobenzene dcb13  
1300 C9H8 Indene indene  
1301 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1302 C9H12 n-propyl benzene prbz  
1303 C(CN)4 tetracyanomethane c5n4  
1304 C5H4N4 purine purine  
1305 C8H7N Indole indole  
1306 C3H3N3O3 cyanuric acid cyanuric  
1307 C6H5NO2 Nitrobenzene c6h5no2  
1308 C6H5COOH benzoic acid benzo  
1309 CH3COC6H5 acetophenone acph  
1310 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1311 C6H3F3 Benzene trifluoride 123 bzf3a  
1312 C10H8 Azulene azu  
1313 C10H16 adamantane adamantane  
1314 C6N4 Tetracyanoethylene tcne  
1315 C6N4- tetracyanoethylene anion tcne-  
1316 C10H22 Decane decane  
1317 C4F6 perfluorobutadiene c4f6  
1318 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1319 C3F8 perfluoropropane c3f8  
1320 Fe(CO)5 Iron pentacarbonyl ipc  
1321 Fe(C5H5)2 ferrocene fecp2  
1322 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1323 C12H8 Acenaphthylene acenaph  
1324 C12H10 biphenyl biphenyl  
1325 C12H10 Heptalene heptalene  
1326 C6H12O6 Inositol inositol  
1327 C6F6 hexafluorobenzene c6f6  
1328 C14H10 Anthracene anth  
1329 C14H10 Phenanthrene phenanthrene  
1330 C12H10N2 azobenzene azobenzene  
1331 C16H10 Pyrene pyrene  
1332 C18H12 Tetracene tetracene  
1333 C24H12 Coronene coronene  
1334 C60 Buckminsterfullerene c60