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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 B2PLYP=FULLultrafine /3-21G

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 H3+ hydrogen trimer cation 1A1'D3h
7 He Helium atom 1SKh
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li- Lithium atom anion 1SKh
12 K Potassium atom 2SKh
13 LiH+ lithium hydride cation 2ΣC∞v
14 KH Potassium hydride 1ΣC∞v
15 MgH magnesium monohydride 2ΣC∞v
16 ZnH+ Zinc, protonated   
17 BeH2+ Beryllium dihydride cation   
18 MgH2 magnesium dihydride 1ΣgD∞h
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 2E'D3h
30 BH3+ boron trihydride cation 2B2C2v
31 BH3+ boron trihydride cation  C2v
32 AlH3 aluminum trihydride 1A1'D3h
33 AlH3- aluminum trihydride anion  C3v
34 ScH3 Scandium trihydride 1A1'D3h
35 ScH3 Scandium trihydride 1A1C3v
36 BH4 borohydride 2B2C2v
37 BH4- borohydride anion 1A1Td
38 C Carbon atom 3P0Kh
39 Si- Silicon atom anion 4SKh
40 Ge Germanium atom 3PKh
41 Ge- Germanium anion 4SKh
42 Ge+ Germanium cation 2PKh
43 Sn+ Tin cation   
44 CH Methylidyne 2Π1/2C∞v
45 SiH Silylidyne 2ΠC∞v
46 SiH+ silicon monohydride cation 1ΣC∞v
47 GeH germylidene 2ΠC∞v
48 GeH+ Germaniun monohyrdide cation 1ΣC∞v
49 CH2 Methylene 3B1C2v
50 CH2 Methylene 3ΣGD∞h
51 CH2- methylene anion 2B1C2v
52 CH2+ methylene cation 2A1C2v
53 CH2+ methylene cation 2ΠD∞h
54 GeH2 germylene 1A1C2v
55 SiH3 Silyl radical 2A1C3v
56 SiH3+ Silyl cation 1A1'D3h
57 GeH3 Germyl radical 2A1C3v
58 GeH3+ germyl cation 1A1'D3h
59 CH4 Methane 1A1Td
60 CH4- Methane anion 2A1Td
61 CH4- Methane anion 2A1C3v
62 SiH2D2 silane-d2   
63 SiH4 Silane 1A1Td
64 SiH4+ Silane cation 2B1C2v
65 GeH4 Germane 1A1Td
66 SiH5+ Silane, protonated   
67 N Nitrogen atom 4SKh
68 V+ Vanadium atom cation 5DKh
69 As Arsenic atomic 4SKh
70 As- Arsenic anion 3PKh
71 As+ Arsenic cation 3PKh
72 NH Imidogen 1Δ+C∞v
73 PH phosphorus monohydride 3Σ-C∞v
74 AsH Arsenic monohydride 3ΣC∞v
75 NH2 Amino radical 2B1C2v
76 NH2+ Amino cation 3B1C2v
77 NH2+ Amino cation 1A1C2v
78 NH3 Ammonia 1A1C3v
79 NH3- Ammonia anion 2A1C3v
80 PH3 Phosphine 1A1C3v
81 PH3+ Phosphine cation 2A1C3v
82 AsH3 Arsine 1A1C3v
83 AsH3+ Arsine cation 2A1C3v
84 AsH4+ Arsonium   
85 NH4 Ammonium radical   
86 NH4+ ammonium cation 1A1Td
87 PH4 Phosphoranyl radical   
88 O Oxygen atom 3SKh
89 S Sulfur atom 3PKh
90 S Sulfur atom   
91 S- Sulfur atom anion 2PKh
92 S+ Sulfur atom cation 4SKh
93 Se Selenium atom 3PKh
94 Se- Selenium atom anion 2PKh
95 Se+ Selenium atom cation 4SKh
96 OH Hydroxyl radical 2ΠC∞v
97 OH- hydroxide anion 1ΣC∞v
98 OH+ hydoxyl cation 3ΣC∞v
99 HS- mercapto anion 1ΣC∞v
100 HS+ sulfur monohydride cation 3ΣC∞v
101 CrH Chromium hydride 6ΣC∞v
102 CrH+ Chromium hydride cation 5ΣC∞v
103 HSe Selenium monohydride 2ΠC∞v
104 HSe- selenium monohydride anion 1ΣC∞v
105 HSe+ selenium monohydride cation 3ΣC∞v
106 H2O Water 1A1C2v
107 H2O- water anion 2A1C2v
108 H2O- water anion 2A'Cs
109 H2O+ water cation 2B1C2v
110 HDO Water-d1 1A1C2v
111 H2S Hydrogen sulfide 1A1C2v
112 H2S+ Hydrogen sulfide cation 2B1C2v
113 H2Se Hydrogen selenide 1A1C2v
114 H2Se+ Hydrogen selenide cation 2B1C2v
115 H3O+ hydronium cation 1A1C3v
116 H3S+ Sulfonium cation 1A1C3v
117 H3Se+ Hydrogen Selenide, protonated 1A1C3v
118 F Fluorine atom 2PKh
119 F- Fluorine atom anion 1SKh
120 F+ Fluorine atom cation 3SKh
121 F+ Fluorine atom cation 1DKh
122 Cl Chlorine atom 2PKh
123 Cl- Chlorine atom anion 1SKh
124 Cl+ Chlorine atom cation 3PKh
125 Cl+ Chlorine atom cation 1DKh
126 Br Bromine atom 2PKh
127 Br- Bromine atom anion 1SKh
128 Br+ Bromine atom cation 3PKh
129 HF Hydrogen fluoride 1ΣC∞v
130 HF- hydrogen fluoride anion 2ΣC∞v
131 HF+ hydrogen fluoride cation 2ΠC∞v
132 HCl Hydrogen chloride 1ΣC∞v
133 HCl- hydrogen chloride anion 2ΣC∞v
134 HCl+ hydrogen chloride cation 2ΠC∞v
135 HBr hydrogen bromide 1ΣC∞v
136 HBr- hydrogen bromide anion 2ΣC∞v
137 HBr+ hydrogen bromide cation 2ΠC∞v
138 H2Cl+ dihydrogen monochloride cation 1A1C2v
139 H2Br+ protonated hydrogen bromide 2A1C2v
140 Ne Neon atom 1SKh
141 Ne Neon atom   
142 Kr Krypton atom 1SKh
143 Kr+ Krypton cation 2PKh
144 HeLi+ Helium Lithium cation   
145 ArH+ Argon hydride cation 1ΣC∞v
146 KrH+ Protonated Krypton 1ΣC∞v
147 H2Ar H2 Ar dimer 1ΣC∞v
148 Ni Nickel atom 3FKh
149 NaLi lithium sodium 1ΣC∞v
150 Na2 Sodium diatomic 1ΣgD∞h
151 Na2- sodium diatomic anion 2ΣuD∞h
152 Na2+ sodium diatomic cation 2ΣgD∞h
153 NaK+ Sodium Potassium diatomic cation 1
154 BeMg Beryllium Magnesium 1ΣC∞v
155 LiAl Lithium Aluminum   
156 NaAl Sodium aluminum 1ΣC∞v
157 B2+ Boron diatomic cation 2ΠD∞h
158 BAl Boron Aluminum 3ΣC∞v
159 BGa Boron Gallium 3ΣC∞v
160 AlGa Aluminum Gallium 3ΣC∞v
161 AlGa Aluminum Gallium 1ΣC∞v
162 HBBH Diborane(2) 3ΣGD∞h
163 B2H4 Diborane(4) D2d 1A1D2d
164 HBHHBH Diborane(4) C2V 1A1C2v
165 B2H6 Diborane 1AgD2h
166 B2H6+ Diborane cation   
167 CaC Calcium monocarbide   
168 BSi Boron silicide 4ΣC∞v
169 BSi Boron silicide 2ΣC∞v
170 GeC Germanium monocarbide 1ΣC∞v
171 SiGe Silicon Germanium   
172 SiGe Silicon Germanium   
173 C2H Ethynyl radical 2ΣC∞v
174 C2H- Ethynyl anion 1ΣC∞v
175 C2H2+ acetylene cation 2ΠuD∞h
176 C2H2+ acetylene cation   
177 H2CC- vinylidene anion   
178 HCCH- acetylene anion   
179 HCCH- acetylene anion   
180 Si2H2 disilyne   
181 Si2H2 disilyne   
182 Si2H2 disilyne   
183 CH3Li methyl lithium 1A1C3v
184 CH2BH methyleneborane 1A1C2v
185 C2H3 vinyl 2A'Cs
186 C2H3- vinyl anion 1A'Cs
187 C2H3+ vinyl cation 1A1C2V bridging H
188 C2H3+ vinyl cation 1A1C2V HCCH2
189 C2H4+ Ethylene cation 2B3uD2h
190 C2H4+ Ethylene cation 2B3D2
191 Si2H4 Disilene   
192 Si2H4 Disilene   
193 Si2H4 Disilene   
194 CH3BH2 methylborane 1A'Cs
195 C2H5 Ethyl radical 2A'Cs
196 C2H6 Ethane 1A1gD3d
197 C2H6+ ethane cation 2BgC2h
198 C2H6+ ethane cation 2A1gD3d
199 Si2H6 disilane 1EuD3d
200 LiN Lithium Nitride 3ΣC∞v
201 LiP Lithium monophosphide   
202 LiP Lithium monophosphide   
203 MgN Magnesium Nitride   
204 MgN Magnesium Nitride   
205 BP Boron monophosphide 3ΠC∞v
206 BP Boron monophosphide 1ΣC∞v
207 GaP Gallium monophosphide 3ΣC∞v
208 GaP Gallium monophosphide 1ΣC∞v
209 GaAs Gallium arsenide 3Π 
210 GaAs Gallium arsenide 1Σ 
211 CN Cyano radical 2ΣC∞v
212 SiP Silicon monophosphide 2ΠC∞v
213 N2 Nitrogen diatomic 1ΣgD∞h
214 N2 Nitrogen diatomic   
215 N2- nitrogen diatomic anion 2ΠgD∞h
216 PN Phosphorus mononitride 1ΣC∞v
217 HCN Hydrogen cyanide 1ΣC∞v
218 HCN+ hydrogen cyanide cation 2ΠC∞v
219 HNC+ hydrogen isocyanide cation   
220 HCP+ Phosphaethyne cation   
221 NNH+ Dinitrogen monohydride cation 1ΣC∞v
222 LiNH2 lithium amide   
223 HBNH Boranimine 1ΣC∞v
224 H2NN Isodiazene   
225 N2H2+ trans-diazene cation 2AGC2h
226 N2H2+ trans-diazene cation   
227 CH2NH Methanimine 1A'Cs
228 CH2NH+ Methanimine cation   
229 CHNH2 aminomethylene   
230 CHNH2+ Aminocarbene cation   
231 BH2NH2 Boranamine   
232 CH2NH2+ methyleneamine cation 1A1C2v
233 N2H4 Hydrazine 1AC2
234 CH3NH2 methyl amine 1A'Cs
235 SiH3NH2 Silane, amino   
236 N2H5+ protonated hydrazine 1A'Cs
237 BH3PH3 borane phosphine   
238 BH3NH3 borane ammonia 1A1C3v
239 CH3NH3 methyl ammonium radical 2A1C3v
240 CH3PH3+ methyl phosphine, protonated 1A1C3v
241 N2H7+ ammonia ammonium dimer   
242 LiSe Lithium monoselenide   
243 CaO Calcium monoxide 1ΣC∞v
244 MgS+ magnesium sulfide cation 2ΠC∞v
245 CaS Calcium sulfide 1ΣC∞v
246 BO boron monoxide 2ΣC∞v
247 GaO Gallium monoxide 2ΣC∞v
248 GaS Gallium monosulfide   
249 CO Carbon monoxide 1ΣC∞v
250 CO- carbon monoxide anion 2ΠC∞v
251 CO+ carbon monoxide cation 2ΣC∞v
252 SiO Silicon monoxide 1ΣC∞v
253 SiS silicon monosulfide 1ΣC∞v
254 CSe Carbon monoselenide 1ΣC∞v
255 GeO Germanium monoxide 1ΣC∞v
256 GeO+ Germanium monoxide cation 2ΣC∞v
257 GeS Germanium monosulfide 1ΣC∞v
258 SiSe Silicon Monoselenide   
259 SiSe+ Silicon Monoselenide cation   
260 GeSe Germanium monoselenide   
261 NO Nitric oxide 2ΠC∞v
262 NO- nitric oxide anion 3ΣC∞v
263 NO+ nitric oxide cation 1ΣC∞v
264 NS Mononitrogen monosulfide 2ΠC∞v
265 PO Phosphorus monoxide 2ΠC∞v
266 PS phosphorus sulfide 2ΣC∞v
267 NSe Nitrogen monoselenide 2ΠC∞v
268 AsS Arsenic monosulfide 2ΠC∞v
269 PSe Phosphorus monoselenide 2ΠC∞v
270 AsSe Arsenic monoselenide 2ΠC∞v
271 O2- oxygen diatomic anion 2ΠD∞h
272 SO Sulfur monoxide 3ΣC∞v
273 SO Sulfur monoxide 1ΣC∞v
274 SO+ sulfur monoxide cation 2ΠC∞v
275 S2 Sulfur diatomic 3ΣgD∞h
276 SeO Selenium monoxide 3ΣC∞v
277 Se2 Selenium diatomic 3ΣgD∞h
278 LiOH lithium hydroxide 1ΣC∞v
279 KOH Potassium hydroxide 1ΣC∞v
280 BeOH beryllium monohydroxide 2A'Cs
281 HBO Boron hydride oxide 1ΣC∞v
282 HBS hydrogen boron sulfide 1ΣC∞v
283 COH Hydroxymethylidyne   
284 COH+ Carbon Monoxide, protonated 1ΣC∞v
285 HCO Formyl radical 2A'Cs
286 HCO- formyl anion 1A'Cs
287 HCO+ Formyl cation 1ΣC∞v
288 HNO Nitrosyl hydride 1A'Cs
289 HNO+ Nitrosyl hydride cation 2A'Cs
290 NOH Hydroxyimidogen 3A"Cs
291 NOH+ O-protonated nitric oxide 2A'Cs
292 HO2+ Hydroperoxy cation 3A"Cs
293 HSO+ Sulfur Monoxide, S-protonated   
294 SOH Sulfur Hydroxide   
295 SOH+ Sulfur Monoxide, protonated   
296 H2CO- formaldehyde anion 2A'Cs
297 H2CO- formaldehyde anion   
298 H2CO+ formaldehyde cation 2B2C2v
299 H2CS Thioformaldehyde 1A1C2v
300 H2CS- thioformaldehyde anion   
301 H2CS- thioformaldehyde anion   
302 H2CS+ thioformaldehyde cation 2B2C2v
303 H2CSe Selenoformaldehyde   
304 H2NO nitroxide 2B1C2v
305 H2NO nitroxide 2A'Cs
306 H2O2 Hydrogen peroxide 1AC2
307 H2OO water oxide   
308 HOSH hydrogen thioperoxide   
309 H2S2 Disulfane 1AC2
310 H2S2+ hydrogen disulfide cation 2BgC2h
311 H2Se2 hydrogen diselenide   
312 CH2OH+ hydroxymethyl cation 1A'Cs
313 CH3O- methoxy anion 1A1C3v
314 CH3O+ Methoxy cation 3A1C3v
315 H2CSH+ Thioformaldehyde, protonated 1A'Cs
316 NH2OH hydroxylamine 1A'Cs
317 NH2OH+ Hydroxylamine cation   
318 NH2SH Thiohydroxylamine   
319 NH2SH Thiohydroxylamine   
320 NH3S sulfidoazane   
321 CH3OH Methyl alcohol 1A'Cs
322 CH3OH+ Methyl alcohol cation 2A"Cs
323 CH3SH Methanethiol 1A'Cs
324 CH3SH+ Methanethiol cation 2A"Cs
325 SiH3OH silanol   
326 NH2OH2+ protonated hydroxylamine   
327 NH3OH+ N-protonated hydroxylamine   
328 H2OH2O water dimer 1A'Cs
329 CH3SH2+ protonated methylsulfide 1A'Cs
330 H5O2+ Dihydroxonium ion 1AC2
331 LiF lithium fluoride 1ΣC∞v
332 LiCl lithium chloride 1ΣC∞v
333 LiCl+ lithium chloride cation 2ΠC∞v
334 NaF+ sodium fluoride cation 2ΣC∞v
335 LiBr Lithium Bromide 1ΣC∞v
336 LiF+ lithium fluoride cation 2ΠC∞v
337 TiCl Titanium Monochloride 4ΣC∞v
338 ZnF Zinc monofluoride 2ΣC∞v
339 CaBr Calcium monobromide   
340 BF Boron monofluoride 1ΣC∞v
341 AlF Aluminum monofluoride 1Σ+C∞v
342 GaF Gallium monofluoride 1ΣC∞v
343 GaF+ Gallium monofluoride cation 2ΣC∞v
344 AlBr Aluminum monobromide   
345 GaCl Gallium monochloride 1ΣGC∞v
346 GaCl+ Gallium monochloride cation 2ΣC∞v
347 GaBr Gallium monobromide   
348 CF Fluoromethylidyne 2ΠC∞v
349 SiF silicon monofluoride 2ΠC∞v
350 SiF+ silicon monofluoride cation 1ΣC∞v
351 SiCl Clorosilylidyne 2ΠC∞v
352 CBr Carbon monobromide 2ΠC∞v
353 GeF Germanium monofluoride 2ΠC∞v
354 GeF+ Germanium monofluoride cation 1ΣC∞v
355 GeCl Germanium monochloride 2ΠC∞v
356 GeCl+ Germanium monochloride cation   
357 SiBr Silicon monobromide 2ΠC∞v
358 SiBr+ Silicon monobromide cation   
359 NCl nitrogen monochloride 3ΣC∞v
360 AsCl Arsenic monochloride 3ΣC∞v
361 PBr Phosphorus monobromide   
362 FO Oxygen monofluoride 2ΠC∞v
363 ClO Monochlorine monoxide 2ΠC∞v
364 ClO+ chlorine monoxide cation 3ΣC∞v
365 SF Monosulfur monofluoride 2ΠC∞v
366 SF+ sulfur monofluoride cation 3ΣC∞v
367 SCl sulfur monochloride 2ΠC∞v
368 SCl+ sulfur monochloride cation 3ΣgC∞v
369 BrO Bromine monoxide 2ΠC∞v
370 BrO+ Bromine monoxide cation   
371 SBr Sulfur monobromide radical   
372 SBr+ Sulfur monobromide cation   
373 IO Iodine monoxide   
374 SeBr Selenium monobromide   
375 BrCl Bromine monochloride 1ΣC∞v
376 F2 Fluorine diatomic 1ΣgD∞h
377 F2- flourine diatomic anion 2ΣuD∞h
378 F2+ flourine diatomic cation 2ΠgD∞h
379 ClF Chlorine monofluoride 1Σ+C∞v
380 ClF+ clorine monofluoride cation 2ΠC∞v
381 Cl2+ chlorine diatomic cation 2ΠgD∞h
382 BrF Bromine monofluoride 1ΣC∞v
383 Br2 Bromine diatomic 1ΣgD∞h
384 Br2- bromine diatomic anion 2ΣuD∞h
385 Br2+ bromine diatomic cation 2ΠgD∞h
386 HCF Fluoromethylene 1A'Cs
387 HCF Fluoromethylene 3A"Cs
388 HSiF fluorosilylene   
389 HSiCl Chlorosilylene   
390 HSiBr monobromosilylene   
391 HOF Hypofluorous acid 1A'Cs
392 HOCl hypochlorous acid 1A'Cs
393 HOCl+ hypochlorous acid cation   
394 F2H+ Fluorine, protonated 1A'Cs
395 ClFH+ Chlorine fluoride, F-protonated   
396 FClH+ Chlorine fluoride, Cl-protonated   
397 Cl2H+ Chlorine, protonated 1A'Cs
398 CH2Br bromomethyl radical   
399 CH2F fluoromethyl radical 2ACs
400 CH2F+ fluoromethyl cation   
401 CH2Cl+ chloromethyl cation   
402 CH2Cl chloromethyl radical 2A'Cs
403 CH2Cl chloromethyl radical 2B1C2v
404 NH2Cl chloramine 1A'Cs
405 CH3F+ methyl fluoride cation   
406 CH3F Methyl fluoride 1A1C3v
407 CH3Cl Methyl chloride 1A1C3v
408 CH3Cl+ Methyl chloride cation   
409 SiH3F monofluorosilane 1A1C3v
410 SiH3Cl chlorosilane 1A1C1
411 CH3Br methyl bromide 1A1C3v
412 GeH3F monofluorogermane   
413 GeH3Cl monochlorogermane   
414 SiH3Br bromosilane 1A1C3v
415 NH3Cl+ protonated monochloroammonia   
416 CH3ClH+ methyl chloride, protonated   
417 NH4Cl Ammonium chloride   
418 LiNe+ Lithium Neon cation   
419 Ar2 Argon diatomic 1SgD∞h
420 Ar2+ Argon diatomic cation 2ΣuD∞h
421 C3 carbon trimer 1ΣgD∞h
422 C3 carbon trimer 1A1C2v
423 SiC2 Silicon dicarbide   
424 C3H4 cyclopropene 1A1C2v
425 CH2CCH2 allene 1A1D2d
426 CH3CCH propyne 1A'C3v
427 CH2CHCH3 Propene 1A'Cs
428 C3H7 n-Propyl radical 2A"C1
429 C3H7+ cyclopropane, protonated   
430 CH3CHCH3 Isopropyl radical 2AC2
431 CH3CHCH3+ Isopropyl cation 1AC2
432 CH3CHCH3+ Isopropyl cation   
433 C3H8 Propane 1A1C2v
434 Si3H8 trisilane   
435 LiCN lithium cyanide 1ΣC*V LiCN
436 KCN Potassium cyanide 1ΣC∞v
437 KCN Potassium cyanide 1ΣC∞v
438 KCN Potassium cyanide 1A'Cs
439 ZnCN Zinc monocyanide 2ΣC∞v
440 ZnNC Zinc isocyanide 2ΣC∞v
441 AlCN Aluminum monocyanide   
442 AlNC Aluminum isocyanide   
443 CNN Diazocarbene   
444 N3 azide radical 2ΠgD∞h
445 N3+ azide cation 3ΣgD∞h
446 N3+ azide cation 3ΣC∞v
447 HCNN diazomethyl radical   
448 HN3 hydrogen azide 1A'Cs
449 HN3+ Hydrazoic acid cation   
450 HNCNH diiminomethane 1AC2
451 HNNNH+ 1,2-Triazadienium   
452 NH2NN+ hydrazoic acid, protonated   
453 CH3CN Acetonitrile 1A1C3v
454 CH3CN- acetonitrile anion 2EC3v
455 CH3CN- acetonitrile anion 2A'Cs
456 CHNCH2 2H-Azirine   
457 CHNHCH 1H-Azirine   
458 H2CCNH Ethenimine   
459 H2CNCH methyleneaminomethylene   
460 HCCNH2 Ethynamine   
461 HCNCH2+ 2H-Azirine cation   
462 HNCNH2+ diiminomethane, protonated 1A'Cs
463 NCNH3+ Cyanamide, protonated 1A1C3v
464 NH2CNH+ cyanamide, cn protonated   
465 NH3CN+ cyanamide, amine protonated   
466 C2H5NH+ Protonated Aziridine 1A1C2v
467 C2H6N+ aziridine, protonated 1A1C2v
468 CH3CH2NH2 Ethylamine   
469 CH3PHCH3 dimethylphosphine 1A'Cs
470 (CH3)2NH2+ dimethylammonium cation 1A1C2v
471 CH3CH2NH3+ ethylamine, protonated 1A'Cs
472 Li2O dilithium oxide 1ΣgD∞h
473 Na2O disodium monoxide 1ΣgLinear
474 Na2O disodium monoxide 1A1C2v
475 Na2S Sodium sulfide   
476 Na2S Sodium sulfide   
477 LiO2 Lithium dioxide   
478 NaO2 Sodium superoxide   
479 NCO isocyanato radical 2ΠC∞v
480 N2O Nitrous oxide 1ΣC∞v
481 N2O- Nitrous oxide anion 2A'Cs
482 OCS Carbonyl sulfide 1ΣC∞v
483 CS2 Carbon disulfide 1ΣgD∞h
484 SiS2 Silicon disulfide 1ΣGD∞h
485 GeO2 Germanium dioxide 1ΣgD∞h
486 OCSe Carbonyl selenide 1ΣC∞v
487 SCSe Carbon sulfide selenide   
488 NO2 Nitrogen dioxide 2A1C2v
489 NO2+ Nitrogen dioxide cation 1ΣGD∞h
490 NSO sulfinyl amidogen   
491 SNO Nitrogen oxide sulfide   
492 O3 Ozone 1A1Cs
493 SO2 Sulfur dioxide 1A1C2v
494 SSO Disulfur monoxide 1A'Cs
495 S3 Sulfur trimer 1A1C2v
496 S3 Sulfur trimer   
497 SeO2 Selenium dioxide 1A1C2v
498 SeO2+ Selenium dioxide cation 2A1C2v
499 HCCO ketenyl radical 2ΠC∞v
500 HCCO ketenyl radical 2A"Cs
501 HCNO fulminic acid 1ΣC∞v
502 HNCS Isothiocyanic acid   
503 HNCS Isothiocyanic acid   
504 HSCN thiocyanic acid 1A'Cs
505 HNNO+ Nitrous oxide, N-protonated 1A'Cs
506 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
507 O3H+ protonated ozone 1A'Cs
508 O3H+ protonated ozone   
509 SO2H+ protonated sulfur dioxide 1A'Cs
510 C2H2O Oxirene 1A1C2v
511 CH2CO Ketene 1A1C2v
512 CH2CS Thioketene   
513 Be(OH)2 Beryllium hydroxide   
514 Be(OH)2 Beryllium hydroxide   
515 Be(OH)2 Beryllium hydroxide   
516 NH2NO Nitrosamide 1AC1
517 NH2NO Nitrosamide   
518 H2COO Dioxymethyl radical 2A'Cs
519 H2COO+ dioxymethyl cation 2A'Cs
520 HCOOH Formic acid 1A'Cs
521 HCOOH Formic acid   
522 CH2BOH hydroxy(methylene)borane 1A'Cs
523 BH3CO Borane carbonyl 1A1C3v
524 CH3BO Borane, methyloxo- 1A1C3v
525 CH2COH+ ketene, protonated   
526 CH2NOH formaldoxime 1A'Cs
527 CH3NO nitrosomethane 1A'Cs
528 CHONH2 formamide 1A'Planar
529 CNOH3 1,2-oxaziridine 1AC1
530 CHSNH2 thioformamide   
531 NHCHSH Methanimidothioic acid   
532 C2H4O Ethylene oxide 1A1C2v
533 C2H4O+ ethylene oxide cation   
534 CH3CHO Acetaldehyde 1A'Cs
535 CH3CHO+ acetaldehyde cation   
536 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
537 C2H4S Thiirane 1A1C2v
538 CH2CHSH Ethenethiol   
539 CH3CHS Thioacetaldehyde 1A'C1
540 NH2CHOH+ Formamide, O-protonated   
541 CH3SSH Hydrogen methyl disulfide   
542 HSCH2SH Methanedithiol   
543 C2H4OH+ ethylene oxide, protonated 1A'Cs
544 CH3CHOH 1-hydroxy-ethyl radical 2AC1
545 NH2CH2OH aminomethanol   
546 CH3CH2SH ethanethiol 1A'Cs
547 CH3CH2SH ethanethiol 1AC1
548 CH3SCH3 Dimethyl sulfide 1A1C2v
549 CH3SCH3+ dimethyl sulfide cation   
550 CH3SeCH3 dimethylselenide 1A1C2v
551 CuF2 Copper difluoride 2ΠgD∞h
552 CNF iso cyanogen fluoride 1ΣC∞v
553 BrCN Cyanogen bromide 1ΣC∞v
554 FBO Boron monofluoride monoxide   
555 BeBr2 Beryllium bromide   
556 CaBr2 Calcium dibromide   
557 BF2 Boron difluoride radical 2A1C2v
558 FNO Nitrosyl fluoride 1A'Cs
559 ClNO Nitrosyl chloride 1A'Cs
560 FNS Thionitrosyl fluoride 1A'Cs
561 FSN Thiazyl fluoride 1A'Cs
562 OPCl Phosphorus oxychloride   
563 INO Nitrosyl iodide 1A'Cs
564 CF2 Difluoromethylene 1A1D∞h
565 CFCl chlorofluoromethylene 1A'Cs
566 SiF2 Silicon difluoride 1A1C2v
567 SiF2+ Silicon difluoride cation 2A1C2v
568 GeCl2 Germanium dichloride 1A1C2v
569 CBr2 dibromomethylene 1A1C2v
570 CBr2 dibromomethylene 3B1C2v
571 FOO+ Fluorine dioxide cation   
572 OClO Chlorine dioxide 2B1D∞h
573 OClO- Chlorine dioxide anion 1A'Cs
574 ClSO Sulfur chloride oxide 2A"Cs
575 BrOO Bromine dioxide   
576 OBrO Bromine dioxide radical 2B1C2v
577 PF2 Phosphorus difluoride   
578 PF2+ Phosphorus difluoride cation   
579 FClO chlorosyl fluoride 1A'Cs
580 ClOF Chlorine hypofluorite 1A'Cs
581 SF2 sulfur difluoride 1A1C2v
582 SeF2 Selenium difluoride   
583 SeCl2 Selenium Dichloride   
584 SBr2 Sulfur dibromide   
585 SeBr2 Selenium dibromide   
586 Br3- tribromide anion   
587 SFCl Sulfur chloride fluoride   
588 HCCF Fluoroacetylene 1ΣC∞v
589 HCCBr bromoacetylene 1ΣC∞v
590 CHCl2 dichloromethyl radical 2B1C2v
591 CHCl2 dichloromethyl radical 2A'Cs
592 CHF2 difluoromethyl radical 2ACs
593 CHF2+ difluoromethyl cation   
594 CHFCl Chlorofluoromethyl radical   
595 CHFCl+ Chlorofluoromethyl cation   
596 CHCl2+ dichloromethyl cation   
597 CHBr2 dibromomethyl radical   
598 NHF2 difluoramine   
599 NHCl2 dichloroamine   
600 CH2F2 Methane, difluoro- 1A1C2v
601 SiH2F2 difluorosilane   
602 CH2Cl2 Methylene chloride 1A1C2v
603 CH2BrF Methane, bromofluoro- 1A'Cs
604 CH2BrCl Methane, bromochloro- 1A'Cs
605 CH2Br2 dibromomethane 1A1C2v
606 CH2ClI chloroiodomethane   
607 SiH2Cl2 dichlorosilane 1A1C2v
608 CH3MgBr Methyl Magnesium Bromide   
609 CH2CHF Ethene, fluoro- 1A'Cs
610 C2H3I Vinyl iodide   
611 CH2FOH fluoromethanol   
612 CH2CH2Cl 2-chloroethyl radical 2A'Cs
613 CHClCH3 1-chloroethyl radical 2AC1
614 C2H5Br Ethyl bromide 1A'Cs
615 C4 Carbon tetramer 3ΣgD∞h
616 C4 Carbon tetramer   
617 C4H2+ diacetlyene cation 2ΠgD∞h
618 C4H4 Tetrahedrane   
619 C4H6 1-Methylcyclopropene 1AC1
620 CH2CHCH2CH3 1-Butene 1AC1
621 CH3CH2CH2CH3 Butane 1AgAnti
622 CH3CH2CH2CH3 Butane 1AGauche
623 C2N2 Cyanogen 1ΣgD∞h
624 As4 Arsenic tetramer 1A1Td
625 HCCCN+ Cyanoacetylene cation 2ΠC∞v
626 H2CNCN cyanamide, methylene   
627 HNCCNH Ethenediimine   
628 CH3N3 methyl azide 1A'Cs
629 NH2CCNH2 Diaminoacetylene 1AC2
630 NH2CH2CN Aminoacetonitrile 1A'Cs
631 CH3NHN2+ methyl azide, protonated 1AC1
632 C2H5CN ethyl cyanide 1A'Cs
633 H2NCHCHNH2 diaminoethylene   
634 H2NCHCHNH2 diaminoethylene   
635 CH7N3 triaminomethane   
636 C4H8 cyclobutane 1A1D2d
637 NH2CH2CH2CH3 1-Propanamine 1A'Cs
638 N(SiH3)3 trisilylamine   
639 (CH3)3NH+ protonated trimethyl amine   
640 C3H7NH3+ n-propylamine, protonated 1A'Cs
641 Li2O2 dilithium dioxide   
642 Na2O2 disodium dioxide   
643 K2O2 dipotassium dioxide   
644 C3O Tricarbon monoxide 1ΣC∞v
645 ONNO NO dimer 1Agtrans C2H
646 ONNO NO dimer 1A1cis C2V
647 ONNO NO dimer 1AC2
648 S2N2 Disulfur dinitride 1AGD2h
649 CS3-- Carbonotrithioate   
650 NO3- nitrate anion 1A1'D3h
651 SO3 Sulfur trioxide 1A1'D3h
652 SO3-- Sulfate dianion   
653 S4 Sulfur tetramer   
654 S4 Sulfur tetramer   
655 S4 Sulfur tetramer   
656 TeO3 Tellurium trioxide   
657 HNO3 Nitric acid 1A'Cs
658 NH2NO2 nitramide 1A'Cs
659 C3H2O Propadienal   
660 C3H2O Propadienal   
661 C2H2O2 Ethanedial 1AgC2h
662 C2H3NO Nitrosoethylene   
663 CH3NCO methylisocyante   
664 HOCH2CN cyanomethanol   
665 CH3NO2 Methane, nitro- 1A'Cs
666 H3AlO3 Aluminum hydroxide   
667 CH2CHCHO Acrolein 1A'Cs
668 CH2CHCHO Acrolein   
669 NH2CONH2 Urea 1A1C2v
670 NH2COOH2+ Carbamic acid, O-protonated 1AC1
671 NH3COOH+ protonated Carbamic acid 1A'Cs
672 CH2C(OH)NH2 1-amino vinyl alchohol   
673 CH3C(OH)=NH Ethaninidic acid   
674 CH3CHNOH Acetaldoxime 1A'CS cis
675 HCONHCH3 N-methylformamide 1A'CS cis
676 HCONHCH3 N-methylformamide 1A'CS trans
677 CH3CSNH2 Ethanethioamide   
678 CH5N2O+ urea, N-protonated 1A'Cs
679 H2NCOHNH2+ urea, protonated 1A'Cs
680 C3H5OH Cyclopropanol 1AC1
681 C3H6O Acetone enol 1A'Cs
682 C3H6O Oxetane 1A1C2v
683 C3H6O Oxetane 1A'Cs
684 CH3CH2CHO Propanal 1A'Cs
685 CH3COCH3 Acetone 3A"Cs
686 C2H6O2 1,2-Ethanediol 1AgC2h
687 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
688 CH3COHCH3+ acetone, protonated   
689 C3H7OH 1-Propanol   
690 C3H7SH 1-Propanethiol 1A'Cs
691 Li2F2 Lithium fluoride dimer   
692 FNO2 Nitryl fluoride 1A1C2v
693 FONO Nitrosyl hypofluorite 1A'CS cis
694 ClONO chlorine nitrite 1A'CS cis
695 CF2O Carbonic difluoride 1A1C2v
696 CF2O+ Carbonic difluoride cation   
697 BF3+ boron trifluoride cation   
698 BClF2 Chlorodifluoroborane   
699 BCl3 Borane, trichloro- 1A1'D3h
700 BCl3+ Boron Trichloride cation   
701 GaF3 Gallium trifluoride 1A1'D3h
702 GaCl3 Gallium trichloride 1A1'D3h
703 CF2Cl difluorochloromethyl radical   
704 SiF3 Silicon trifluoride radical 2A1C3v
705 SiF3+ Silicon trifluoride cation 1A1'D3h
706 CFCl2 dichlorofluoromethyl radical   
707 CBr3 tribromomethyl radical   
708 ClO2F Chloryl fluoride 1A'Cs
709 ClOOCl Dichlorine dioxide 1AC2
710 SSCl2 Thiothionyl chloride   
711 NF3 Nitrogen trifluoride 1A1C3v
712 NCl3 nitrogen trichloride 1A1C3v
713 AsCl3 Arsenous trichloride 1A1C3v
714 NBr3 Nitrogen Tribromide 1A1C3v
715 ClF3 Chlorine trifluoride 1A1'D3h
716 ClF3 Chlorine trifluoride 1A1C2v
717 HClO3 Chloric Acid 1A'Cs
718 HClO3 Chloric Acid 1AC1
719 CHF3 Methane, trifluoro- 1A1C3v
720 SiHF3 trifluorosilane   
721 CHBrF2 Methane, bromodifluoro- 1A'Cs
722 CHFClBr fluorochlorobromomethane 1AC1
723 CHBrCl2 Methane, bromodichloro- 1A'Cs
724 CHBr2F dibromofluoromethane   
725 NF3H+ protonated nitrogen trifluoride 1A1C3v
726 AsF3H+ Arsenic trifluoride, protonated   
727 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
728 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
729 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
730 C2H2Br2 1,1-dibromoethene   
731 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
732 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
733 C2H4F2 1,2-difluoroethane 1AgC2H anti
734 C2H4F2 1,2-difluoroethane 1AC2 gauche
735 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
736 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
737 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
738 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
739 CH2BrCH2Cl 1-bromo-2-chloroethane   
740 CH2BrCH2Cl 1-bromo-2-chloroethane   
741 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
742 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
743 CH2CHCH2F Allyl Fluoride   
744 CH2CHCH2F Allyl Fluoride   
745 CH3CHCHF trans-1-Fluoro-1-propene   
746 CH2FCH2OH 2-fluoroethanol   
747 CH2ClCH2OH 2-Chloroethanol 1A'Cs
748 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
749 CH2FCH2CH3 1-Fluoropropane 1A'Cs
750 CH2FCH2CH3 1-Fluoropropane   
751 CH3CHFCH3 2-Fluoropropane 1A'Cs
752 B5H9 pentaborane9   
753 C5H4 pentatetraene   
754 C5H6 Propellane 1A1D3h
755 C5H8 Bicyclo[1.1.1]pentane   
756 CH3CCCH2CH3 2-Pentyne   
757 C3H4N2 1H-Imidazole 1A'Cs
758 C3H4N2 1H-Pyrazole 1A'Cs
759 C3H4N2 2H-Imidazole 1A1C2v
760 C3H4N2 4H-Imidazole 1A'Cs
761 C4H5N Pyrrole 1A1C2v
762 C4H6N+ pyrrole, alpha-protonated 1A'Cs
763 C4H6N+ pyrrole, beta-protonated 1A'Cs
764 C4H6N+ pyrrole, protonated 1A1C2v
765 NH(C2H5)2 diethylamine 1A'Cs
766 C3O2 Carbon suboxide 1ΣGD∞h
767 B2O3 diboron trioxide   
768 B2O3 diboron trioxide   
769 MgCO3 Magnesium Carbonate 1A1C2v
770 BeCO3 Beryllium Carbonate 1A1C2v
771 CHOOCHO diformyl ether   
772 C3H3NO Isoxazole 1A'Cs
773 C3H3NS Thiazole   
774 CH3COCCH 3-butyn-2-one 1A'Cs
775 C4H4Se selenophene   
776 CH3OCH2CN Methoxyacetonitrile 1A'Cs
777 CH3OCH2CN Methoxyacetonitrile 1AC1
778 CH3SO2NH2 methanesulfonamide 1A'Cs
779 CH2CHSCHCH2 Divinyl sulfide   
780 HCOOC2H5 Ethyl formate 1A'Cs
781 C2H6O2S Dimethyl sulfone 1A1C2v
782 C4H8O Furan, tetrahydro- 1AC2
783 C4H8S Thiophene, tetrahydro- 1AC1
784 C4H10O Methyl propyl ether 1AC1
785 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
786 C4H9SH 1-Butanethiol   
787 CF3Cl Methane, chlorotrifluoro- 1A1C3v
788 CF2Cl2 difluorodichloromethane 1A1C2v
789 CF3Br Bromotrifluoromethane 1A1C3v
790 GeF4 Germanium tetrafluoride 1A1Td
791 CBrCl2F bromodichlorofluoromethane   
792 CBr2ClF dibromochlorofluoromethane   
793 CBr2Cl2 dibromodichloromethane 1A1C2v
794 CFBr3 fluorotribromomethane 1A1C3v
795 CBr3Cl tribromochloromethane 1A1C3v
796 CF2I2 difluorodiiodomethane   
797 CBr4 Carbon tetrabromide 1A1Td
798 SiBr4 Silicon tetrabromide 1A1Td
799 GeBr4 Germanium tetrabromide   
800 SiI4 silicon tetraiodide   
801 ClOF3 Chlorine trifluoride oxide 1A'Cs
802 SF4 Sulfur tetrafluoride 1A1C2v
803 SeF4 Selenium tetrafluoride   
804 SCl4 Sulfur tetrachloride   
805 CH2ClCCCl 1,3-dichloropropyne   
806 CHClCCHCl 1,3-dichloroallene   
807 CHCl2CCH 3,3-dichloropropyne   
808 CHCl2CHO dichloroacetaldehyde 1AC1
809 CHCl2CHO dichloroacetaldehyde   
810 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
811 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
812 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
813 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
814 CH2FCH2CH2F 1,3-difluoropropane   
815 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
816 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
817 C2H2N2O Furazan   
818 NH3BF3 Amminetrifluoroboron 1A1C3v
819 C6H6 Prismane   
820 C6H6 1,2,4,5-Hexatetraene 1AgC2h
821 C6H6 Benzene 1A1gD6h
822 C6H6 Benzvalene 1A1C2v
823 C6H6 Dewar Benzene   
824 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
825 C6H6+ Benzene cation   
826 C6H6+ Benzene cation 2B1gD2h
827 C6H10 1,5-Hexadiene 1AgC2
828 C6H10 3-Hexyne 1A1C2v
829 C6H10 3-Hexyne 1AC2
830 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
831 C4H4N2 Succinonitrile 1AgC2h
832 C5H6N+ Pyridinium 1A1C2v
833 Li2CO3 Lithium Carbonate 1A1C2v
834 MgSO4 Magnesium Sulfate 1A1C2v
835 N2O4 Dinitrogen tetroxide 1AgD2d
836 C3H2O3 vinylene carbonate   
837 C2H2O4 Oxalic Acid 1AgC2h
838 C2H4N2S2 Ethanedithioamide 1AGC2h
839 C2H4O4 Formic acid dimer 1AGC2h
840 C5H6O 2H-Pyran   
841 C5H6O Pentadienal   
842 C4H6O2 γ–Butyrolactone 1AC1
843 CH6N4S Carbonothioic dihydrazide 1AC2
844 C3H6O3 1,3,5-Trioxane 1A1C1
845 C3H6S3 1,3,5-Trithiane 1A1C3v
846 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
847 C4H8O2 Ethyl acetate 1A'Cs
848 C5H10O 3-Pentanone 1A1C2v
849 C4F2 difluorobutadiyne   
850 ClCOClCO Oxalyl chloride 1AGC2h
851 C2ClF3 Ethene, chlorotrifluoro-   
852 CF2CCl2 difluorodichloroethylene 1A1C2v
853 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
854 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
855 C2Br4 tetrabromoethene   
856 SiF5- silicon pentafluoride anion   
857 SOF4 Sulfur tetrafluoride oxide 1A1C2v
858 PF5 Phosphorus pentafluoride 1A1'D3h
859 SF5+ pentafluoro sulfur cation 1A1'D3h
860 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
861 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
862 CH2ClCCl3 1,1,1,2-tetrachloroethane   
863 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
864 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
865 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
866 C4H3ClO Furan, 2-chloro 1A'Cs
867 C4H3ClO Furan,3-chloro 1A'Cs
868 C4H8O2 Butanoic acid 1AC1
869 C7H7 cycloheptatrienyl radical 2A2C2v
870 C7H7+ cycloheptatrienyl cation 1A1'D7h
871 C7H8 Quadricyclane   
872 CH(CN)3 tricyanomethane   
873 HN=C=C(CN)2 Dicyanoketenimine   
874 C5H4O2 furfural 1A'OCCO cis
875 C5H4O2 furfural 1A'OCCO trans
876 C7H10 Norbornene   
877 C6H12O Oxepane   
878 F2CCCF2 tetrafluoroallene   
879 CF3COO- trifluoro acetate anion 1A'Cs
880 CF3COF trifluoroacetyl fluoride 1A'Cs
881 PF6 Hexafluorophosphate neutral 2B2C2v
882 SF6 Sulfur Hexafluoride 1A1GOh
883 CF3CHF2 pentafluoroethane 1A'Cs
884 C8H16 cyclooctane   
885 S4N4 Tetrasulfur tetranitride   
886 C6H5CHO benzaldehyde 1A'Cs
887 C2Cl6 hexachloroethane 1A1gD3d
888 C6H4F2 1,4-difluorobenzene 1AgD2h
889 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
890 C6H4Cl2 1,4-dichlorobenzene   
891 C6H5NO nitrosobenzene 1A'Cs
892 C9H20 Nonane 1A1C2v
893 C3F6 hexafluoropropene   
894 C8H18O 1-Octanol   
895 C10H8 naphthalene 1AgD2h
896 C10H10 bullvalene   
897 B12H12-- Dodecahydrododecaborate(2-)   
898 C12H8 biphenylene 1AgD2h
899 C12H10 biphenyl 1AD2
900 S2F10 disulphur decafluoride   
901 C13H10 Fluorene   
902 C14H14 Bibenzyl 1AC2
903 C6H5COC6H5 benzophenone 1AC2
904 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 HD Deuterium hydride hd  
7 He- Helium atom anion he-  
8 HeH Helium hydride heh  
9 Li Lithium atom li  
10 Li+ Lithium atom cation li+  
11 Na Sodium atom na  
12 Na- Sodium atom anion na-  
13 Na+ Sodium atom cation na+  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 LiH Lithium Hydride lih  
20 LiH- lithium hydride anion lih-  
21 NaH sodium hydride nah  
22 NaH- sodium hydride anion nah-  
23 NaH+ sodium hydride cation nah+  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Be Beryllium atom be  
27 Be- Beryllium atom anion be-  
28 Be+ Beryllium atom cation be+  
29 Mg Magnesium atom mg  
30 Mg- Magnesium atom anion mg-  
31 Mg+ Magnesium atom cation mg+  
32 Ca Calcium atom ca  
33 Ca- Calcium atom anion ca-  
34 Ca+ Calcium atom cation ca+  
35 Zn Zinc atom zn  
36 Zn- Zinc atom anion zn-  
37 Zn+ Zinc atom cation zn+  
38 BeH beryllium monohydride beh  
39 BeH- berylium monohydride anion beh-  
40 BeH+ beryllium monohydride cation beh+  
41 MgH- magnesium monohydride anion mgh-  
42 MgH+ magnesium monohydride cation mgh+  
43 CaH Calcium monohydride cah  
44 CaH+ Calcium monohydride cation cah+  
45 TiH Titanium monohydride tih  
46 ZnH Zinc monohydride znh  
47 BeH2 beryllium dihydride beh2  
48 CaH2 Calcium Hydride cah2  
49 ZnH2 Zinc hydride znh2  
50 B Boron atom b  
51 B- Boron atom anion b-  
52 B+ Boron atom cation b+  
53 Al Aluminum atom al  
54 Sc Scandium atom sc  
55 Sc+ Scandium cation sc+  
56 BH- boron monohydride anion bh-  
57 BH+ boron monohydride cation bh+  
58 AlH aluminum monohydride alh  
59 AlH- aluminum monohydride anion alh-  
60 AlH+ aluminum monohydride cation alh+  
61 ScH Scandium monohydride sch  
62 BH2 boron dihydride bh2  
63 BH2- boron dihydride anion bh2-  
64 BH2+ Boron dihydride cation bh2+  
65 AlH2 aluminum dihydride alh2  
66 AlH2- aluminum dihydride anion alh2-  
67 AlH2+ aluminum dihydride cation alh2+  
68 BH3 boron trihydride bh3  
69 BH3- boron trihydride anion bh3-  
70 AlH3+ aluminum trihydride cation alh3+  
71 GaH3 Gallium trihydride gah3  
72 AlH4- Aluminum tetrahydride anion alh4-  
73 C- Carbon atom anion c-  
74 C+ Carbon atom cation c+  
75 Si Silicon atom si  
76 Si+ Silicon atom cation si+  
77 Ti Titanium atom ti  
78 Ti- Titanium atom anion ti-  
79 Ti+ Titanium atom cation ti+  
80 Sn Tin atom sn  
81 CH- methylidyne anion ch-  
82 CH+ Methylidyne cation ch+  
83 SiH- silicon monohydride anion sih-  
84 SiH2 silicon dihydride sih2  
85 SiH2- silicon dihydride anion sih2-  
86 SiH2+ silicon dihydride cation sih2+  
87 GeH2- germylene anion geh2-  
88 CH3 Methyl radical ch3  
89 CH3- methyl anion ch3-  
90 CH3+ methyl cation ch3+  
91 SiH3- Silyl anion sih3-  
92 CD4 methane-d4 cd4  
93 CH2D2 methane-d2 ch2d2  
94 CH3D methane-d ch3d  
95 CH4+ Methane cation ch4+  
96 CHD3 methane-d3 chd3  
97 SnH4 Stannane snh4  
98 N- Nitrogen atom anion n-  
99 N+ Nitrogen atom cation n+  
100 P Phosphorus atom p  
101 P- Phosphorus atom anion p-  
102 P+ Phosphorus atom cation p+  
103 V Vanadium atom v  
104 Sb Antimony atom sb  
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 SbH Antimony monohydride sbh  
112 ND2 Amidogen-d2 nd2  
113 NH2- amino anion nh2-  
114 PH2 Phosphino radical ph2  
115 PH2- Phosphino anion ph2-  
116 PH2+ Phosphino cation ph2+  
117 AsH2 Arsenic dihydride ash2  
118 AsH2+ Arsenic dihydride cation ash2+  
119 ND3 Ammonia-d3 nd3  
120 NH3+ ammonia cation nh3+  
121 SbH3 Stibine sbh3  
122 PH4+ phosphonium cation ph4+  
123 O- Oxygen atom anion o-  
124 O+ Oxygen atom cation o+  
125 Cr Chromium atom cr  
126 Te Tellurium atom te  
127 Te+ Tellurium atom cation te+  
128 DO Hydroxyl-d od  
129 DS Mercapto-d ds  
130 HS Mercapto radical hs  
131 TeH Telluryl radical teh  
132 D2O Deuterium oxide d2o  
133 D2S Hydrogen sulfide-d2 d2s  
134 H2S- Hydrogen sulfide anion h2s-  
135 H2Te Hydrogen Telluride h2te  
136 Mn Manganese atom mn  
137 I Iodine atom iodine  
138 I- Iodine atom anion iodine-  
139 I+ Iodine atom cation iodine+  
140 DF Hydrofluoric acid-d df  
141 DCl Hydrochloric acid-d dcl  
142 HI Hydrogen iodide hi  
143 HI+ Hydrogen iodide cation hi+  
144 H2F+ dihydrogen fluoride cation h2f+  
145 H2I+ Iodonium h2i+  
146 Ne- Neon atom anion ne-  
147 Ne+ Neon atom cation ne+  
148 Ar Argon atom ar  
149 Ar- Argon atom anion ar-  
150 Ar+ Argon atom cation ar+  
151 Fe Iron atom fe  
152 Xe Xenon atom xe  
153 NeH neon hydrogen neh  
154 NeH+ neon hydrogen cation neh+  
155 XeH+ Xenon, protonated xeh+  
156 Co Cobalt atom cobalt  
157 Li2 Lithium diatomic li2  
158 Li2- lithium diatomic anion li2-  
159 Li2+ lithium diatomic cation li2+  
160 NaLi- lithium sodium anion lina-  
161 NaLi+ lithium sodium cation lina+  
162 LiK Lithium Potassium lik  
163 NaK Sodium Potassium nak  
164 K2 Potassium diatomic k2  
165 Cu2 Copper diatomic cu2  
166 LiBe Lithium Beryllium libe  
167 LiMg Lithium magnesium limg  
168 NaBe Sodium Beryllium nabe  
169 NaMg Sodium Magnesium namg  
170 Be2 Beryllium diatomic be2  
171 Be2- Beryllium diatomic anion be2-  
172 Be2+ Beryllium diatomic cation be2+  
173 Mg2 Magnesium diatomic mg2  
174 Mg2- magnesium diatomic anion mg2-  
175 Mg2+ magnesium diatomic cation mg2+  
176 Ca2 Calcium diatomic ca2  
177 LiB Lithium boride lib  
178 BeB Beryllium monoboride beb  
179 B2 Boron diatomic b2  
180 B2- Boron diatomic anion b2-  
181 Al2 Aluminum diatomic al2  
182 Al2- aluminum diatomic anion al2-  
183 Al2+ aluminum diatomic cation al2+  
184 Ga2 Gallium diatomic ga2  
185 LiBH4 Lithium borohydride libh4  
186 Al2H6 dialane al2h6  
187 Ga2H6 digallane ga2h6  
188 LiC Lithium Carbide lic  
189 BeC Beryllium Carbide bec  
190 BC boron monocarbide bc  
191 BC- boron monocarbide anion bc-  
192 BC+ boron monocarbide cation bc+  
193 AlC Aluminum carbide alc  
194 C2 Carbon diatomic c2  
195 C2- carbon diatomic anion c2-  
196 C2+ carbon diatomic cation c2+  
197 SiC silicon monocarbide sic  
198 SiC- silicon monocarbide anion sic-  
199 SiC+ silicon monocarbide cation sic+  
200 Si2 Silicon diatomic si2  
201 Si2- silcon diatomic anion si2-  
202 Si2+ silcon diatomic cation si2+  
203 Ge2 Germanium diatomic ge2  
204 C2H+ Ethynyl cation c2h+  
205 ZnCH2 Zinc methylene znch2  
206 C2H2 Acetylene c2h2  
207 CCH2 vinylidene vinylidene  
208 CuCH3 monomethyl copper cuch3  
209 ZnCH3 Zinc monomethyl znch3  
210 C2H4 Ethylene c2h4  
211 C2H4- Ethylene anion c2h4-  
212 CH3CH methylmethylene ch3ch  
213 CH2SiH2 silaethylene ch2sih2  
214 C2H5- Ethyl anion c2h5-  
215 C2H5+ Ethyl cation c2h5+  
216 CH3SiH3 methyl silane ch3sih3  
217 GeH3CH3 methyl germane geh3ch3  
218 C2H7+ Ethane, protonated c2h7+  
219 LiN+ Lithium Nitride cation lin+  
220 BeN Beryllium mononitride ben  
221 BeN- Beryllium mononitride anion ben-  
222 BeN+ Beryllium mononitride cation ben+  
223 BN- boron nitride anion bn-  
224 AlN- aluminum mononitride anion aln-  
225 AlN+ aluminum mononitride cation aln+  
226 AlP Aluminum monophosphide alp  
227 GaN Gallium mononitride gan  
228 BN boron nitride bn  
229 BN+ boron nitride cation bn+  
230 AlN Aluminum nitride aln  
231 CN- cyanide anion cn-  
232 CN+ Cyano cation cn+  
233 CP Carbon monophosphide cp  
234 CP- carbon monophosphide anion cp-  
235 CP+ carbon monophosphide cation cp+  
236 SiN Silicon nitride sin  
237 SiN- silicon mononitride anion sin-  
238 SiN+ silicon mononitride cation sin+  
239 SiP- Silicon monophosphide anion sip-  
240 SiP+ Silicon monophosphide cation sip+  
241 TiN Titanium mononitride tin  
242 N2+ diatomic nitrogen cation n2+  
243 PN- phosphorus nitride anion pn-  
244 PN+ phosphorus nitride cation pn+  
245 P2 Phosphorus diatomic p2  
246 P2- phosphorus diatomic anion p2-  
247 P2+ phosphorus diatomic cation p2+  
248 AsN Arsenic mononitride asn  
249 AsP Arsenic monophosphide asp  
250 SbN Antimony nitride sbn  
251 As2 Arsenic diatomic as2  
252 HNB hydrogen nitrogen boron hnb  
253 HNC hydrogen isocyanide hnc  
254 HCN- Hydrogen cyanide anion hcn-  
255 HCP Phosphaethyne hcp  
256 NNH Dinitrogen monohydride nnh  
257 HPO Hydrogen phosphorus oxide hpo  
258 HPO+ Hydrogen phosphorus oxide cation hpo+  
259 CNH2 Aminomethylidyne radical cnh2  
260 CNH2+ N-protonated hydrogen isocyanide cnh2+  
261 H2CN Dihydrogen cyanide radical h2cn  
262 H2CN+ hydrocyanonium cation h2cn+  
263 HCNH methyleneazane hcnh  
264 HCNH+ N-protonated HCN hcnh+  
265 N2H2 (E)-diazene n2h2  
266 N2H2 (Z)-Diazene n2h2z  
267 CH2PH Phosphaethene ch3p  
268 N2H4+ hydrazine cation n2h4+  
269 P2H4 Diphosphine p2h4  
270 CH3NH2+ methyl amine cation ch3nh2+  
271 CH3PH2 Methyl phosphine ch3ph2  
272 CH3NH3+ protonated methylamine ch3nh3+  
273 NH3NH3 Ammonia Dimer nh3nh3  
274 LiO lithium oxide lio  
275 LiO- lithium oxide anion lio-  
276 LiO+ lithium oxide cation lio+  
277 LiS Lithium monosulfide lis  
278 LiS+ Lithium sulfide cation lis+  
279 NaO sodium monoxide nao  
280 NaO- sodium oxide anion nao-  
281 NaO+ sodium oxide cation nao+  
282 KO Potassium monoxide ko  
283 KO+ Potassium monoxide cation ko+  
284 NaS Sodium sulfide nas  
285 CuO Copper Monoxide cuo  
286 BeO beryllium oxide beo  
287 BeO- Beryllium monoxide anion beo-  
288 BeO+ Beryllium monoxide cation beo+  
289 BeS beryllium sulfide bes  
290 MgO magnesium oxide mgo  
291 MgO- magnesium oxide anion mgo-  
292 MgO+ magnesium oxide cation mgo+  
293 MgS magnesium sulfide mgs  
294 MgS- magnesium sulfide anion mgs-  
295 ZnO zinc monoxide zno  
296 ZnS Zinc sulfide zns  
297 BeS- Beryllium monosulfide anion bes-  
298 BeS+ Beryllium monosulfide cation bes+  
299 BO- boron monoxide anion bo-  
300 AlO Aluminum monoxide alo  
301 AlO- Aluminum monoxide anion alo-  
302 AlO+ aluminum monoxide cation alo+  
303 BS boron sulfide bs  
304 BS- boron monosulfide anion bs-  
305 BS+ boron monosulfide cation bs+  
306 AlS Aluminum sulfide als  
307 AlS- aluminum monosulfide anion als-  
308 AlS+ aluminum monosulfide cation als+  
309 ScO Scandium monoxide sco  
310 BO+ boron monoxide cation bo+  
311 CS carbon monosulfide cs  
312 CS- carbon monosulfide anion cs-  
313 CS+ carbon monosulfide cation cs+  
314 SiO- silicon monoxide anion sio-  
315 SiO+ silicon monoxide cation sio+  
316 SiS- silicon monosulfide anion sis-  
317 SiS+ silicon monosulfide cation sis+  
318 TiO Titanium monoxide tio  
319 CSe- Carbon monoselenide anion cse-  
320 CSe+ Carbon monoselenide cation cse+  
321 NS- nitrogen sulfide anion ns-  
322 NS+ nitrogen sulfide cation ns+  
323 PO- phosphorus monoxide anion po-  
324 PO+ phosphorus monoxide cation po+  
325 PS- phosphorus monosulfide anion ps-  
326 PS+ phosphorus monosulfide cation ps+  
327 VO Vanadium monoxide vo  
328 AsO Arsenic monoxide aso  
329 O2 Oxygen diatomic o2  
330 O2-- dioxygen dianion o2--  
331 O2+ diatomic oxygen cation o2+  
332 SO- sulfur monoxide anion so-  
333 S2- sulfur diatomic anion s2-  
334 S2+ sulfur diatomic cation s2+  
335 SeO- selenium monoxide anion seo-  
336 SeO+ selenium monoxide cation seo+  
337 SeS Selenium monosulfide ses  
338 SeS- selenium monosulfide anion ses-  
339 SeS+ selenium monosulfide cation ses+  
340 TeO Tellurium monoxide teo  
341 Se2- selenium diatomic anion se2-  
342 Se2+ selenium diatomic cation se2+  
343 Te2 Tellurium diatomic te2  
344 NaOH sodium hydroxide naoh  
345 MgOH magnesium hydroxide mgoh  
346 CaOH Calcium monohydroxide caoh  
347 HCS Thioformyl radical hcs  
348 HCS- Thioformyl anion hcs-  
349 HCS+ Thioformyl cation hcs+  
350 HNO- Nitrosyl hydride anion hno-  
351 HNS Sulfur imide hns  
352 HNS- Sulfur imide anion hns-  
353 HO2 Hydroperoxy radical ho2  
354 HO2- Hydroperoxy anion ho2-  
355 HS2 Thiosulfeno radical hs2  
356 H2CO Formaldehyde h2co  
357 HOCH hydroxycarbene hoch  
358 H2O2+ Hydrogen peroxide cation h2o2+  
359 CH2OH Hydroxymethyl radical ch2oh  
360 CH3O Methoxy radical ch3o  
361 CH3S thiomethoxy ch3s  
362 NH3O Ammonia Oxide nh3o  
363 H2POH Phosphinous acid h2poh  
364 H3PO Phosphine oxide h3po  
365 H3O2+ hydrogen peroxide, protonated h3o2+  
366 CH3OH- Methyl alcohol anion ch3oh-  
367 CH3SeH Methane selenol ch3seh  
368 CH3OH2+ Methanol, protonated ch3oh2+  
369 H2ONH3 Water Ammonia Dimer h2onh3  
370 LiCl- lithium chloride anion licl-  
371 NaF sodium fluoride naf  
372 NaF- sodium fluoride anion naf-  
373 KF Potassium Fluoride kf  
374 NaCl Sodium Chloride nacl  
375 NaCl- sodium chloride anion nacl-  
376 NaCl+ sodium chloride cation nacl+  
377 KCl Potassium Chloride kcl  
378 CuF Copper monofluoride cuf  
379 LiBr- lithium bromide anion libr-  
380 LiBr+ lithium bromide cation libr+  
381 CuCl Copper monochloride cucl  
382 NaBr Sodium Bromide nabr  
383 NaBr- sodium bromide anion nabr-  
384 NaBr+ sodium bromide cation nabr+  
385 KBr Potassium Bromide kbr  
386 LiI Lithium Iodide lii  
387 NaI Sodium Iodide nai  
388 KI Potassium Iodide ki  
389 LiF- lithium fluoride anion lif-  
390 BeF Beryllium monofluoride bef  
391 BeF- Beryllium monofluoride anion bef-  
392 BeF+ Beryllium monofluoride cation bef+  
393 BeCl beryllium monochloride becl  
394 MgF Magnesium monofluoride mgf  
395 MgF- magnesium fluoride anion mgf-  
396 MgF+ magnesium fluoride cation mgf+  
397 CaF Calcium monofluoride caf  
398 MgCl magnesium monochloride mgcl  
399 MgCl- magnesium monochloride anion mgcl-  
400 MgCl+ magnesium monochloride cation mgcl+  
401 CaCl calcium monochloride cacl  
402 ZnF- Zinc monofluoride anion znf-  
403 ZnF+ Zinc monofluoride cation znf+  
404 ZnCl Zinc monochloride zncl  
405 BeCl- beryllium monochloride anion becl-  
406 BeCl+ beryllium monochloride cation becl+  
407 BF- Boron monofluoride anion bf-  
408 BF+ Boron monofluoride cation bf+  
409 AlF- Aluminum monofluoride anion alf-  
410 AlF+ Aluminum monofluoride cation alf+  
411 BCl boron monochloride bcl  
412 BCl- boron monochloride anion bcl-  
413 BCl+ boron monochloride cation bcl+  
414 AlCl Aluminum monochloride alcl  
415 AlCl- aluminum monochloride anion alcl-  
416 AlCl+ aluminum monochloride cation alcl+  
417 ScF Scandium monofluoride scf  
418 BBr Boron monobromide bbr  
419 AlI Aluminum monoiodide ali  
420 CF- carbon monofluoride anion cf-  
421 CF+ carbon monofluoride cation cf+  
422 CCl carbon monochloride ccl  
423 CCl- carbon monochloride anion ccl-  
424 CCl+ carbon monochloride cation ccl+  
425 SiF- silicon monofluoride anion sif-  
426 SiCl- silicon monochloride anion sicl-  
427 SiCl+ silicon monochloride cation sicl+  
428 NF nitrogen fluoride nf  
429 NF- nitrogen monofluorine anion nf-  
430 NF+ nitrogen monofluoirde cation nf+  
431 NCl- nitrogen monochloride anion ncl-  
432 NCl+ nitrogen monochloride cation ncl+  
433 PF phosphorus monofluoride pf  
434 PF- phosphorus monofluoride anion pf-  
435 PF+ phosphorus monofluoride cation pf+  
436 PCl phosphorus chloride pcl  
437 PCl- phosphorus monochloride anion pcl-  
438 PCl+ phosphorus monochloride cation pcl+  
439 AsF Arsenic monofluoride asf  
440 NBr nitrogen monobromide nbr  
441 SbF Antimony monofluoride sbf  
442 SbCl Antimony monochloride sbcl  
443 FO- flourine oxide anion fo-  
444 FO+ fluorine monoxide cation fo+  
445 ClO- chlorine monoxide anion clo-  
446 SF- sulfur monofluoride anion sf-  
447 SCl- sulfur monochloride anion scl-  
448 BrO- Bromine monoxide anion bro-  
449 SeF Selenium monofluoride sef  
450 SeCl Selenium monochloride secl  
451 ClF- clorine monofluoride anion clf-  
452 Cl2 Chlorine diatomic cl2  
453 Cl2- chlorine diatomic anion cl2-  
454 BrF- bromine fluoride anion brf-  
455 BrF+ bromine fluoride cation brf+  
456 BrCl- bromine chloride anion brcl-  
457 BrCl+ bromine chloride cation brcl+  
458 IF Iodine monofluoride if  
459 ICl Iodine monochloride icl  
460 IBr Iodine monobromide ibr  
461 I2 Iodine diatomic i2  
462 I2+ Iodine diatomic cation i2+  
463 HCCl Chloromethylene hccl  
464 CHBr bromomethylene chbr  
465 DOCl Hypochlorous acid-d docl  
466 HOBr Hypobromous acid hobr  
467 HOBr+ Hypobromous acid cation hobr+  
468 HOI Hypoiodous acid hoi  
469 FHF Hydrogen difluoride fhf  
470 FHF- Hydrogen difluoride anion fhf-  
471 NH2F monofluoroamine nh2f  
472 H2F2 Hydrogen fluoride dimer h2f2  
473 CD3F methylfluoride-d3 cd3f  
474 CD3Cl methyl chloride d3 cd3cl  
475 CH3I methyl iodide ch3i  
476 SiH3I Silyl Iodide sih3i  
477 Ne2 Neon diatomic ne2  
478 Ne2+ Neon diatomic cation ne2+  
479 Li3 Lithium trimer li3  
480 Li3+ Lithium trimer cation li3+  
481 C3+ carbon trimer cation c3+  
482 C3H3 cyclopropenyl radical cpr  
483 C3H3 Propargyl radical propargyl  
484 C3H3- Propargyl anion c3h3-  
485 C3H3+ cyclopropenyl cation cpr+  
486 C3H3+ Propargyl cation c3h3+  
487 C3H5 Allyl radical allyl  
488 C3H5+ Allyl cation allyl+  
489 CH3CHCH 1-propenyl radical ch3chch  
490 Zn(CH3)2 dimethyl zinc dmz  
491 C3H6 Cyclopropane c3h6  
492 SiH2(CH3)2 dimethylsilane dms  
493 NaCN Sodium Cyanide nacn  
494 CuCN Copper cyanide cucn  
495 CN2 3H-Diazirin-3-ylidene cn2  
496 NCN Cyanoimidogen ncn  
497 N3- azide anion n3-  
498 HCCN cyanomethylene hccn  
499 CH2N2 diazirine ch2n2  
500 CH2NN diazomethane ch2nn  
501 NH2CN cyanamide cyanamide  
502 CH3CN+ Acetonitrile cation ch3cn+  
503 CH3NC methyl isocyanide ch3nc  
504 CH2CHNH vinylazine ch2chnh  
505 CH3CHN methylmethaniminyl radical ch3chn  
506 NHCHNH2 aminomethanimine cn2h4  
507 C2H5N Aziridine c2h5n  
508 CH2CHNH2 aminoethene aminoethene  
509 CH2NCH3 N-methylmethanimine nmm  
510 CH3CHNH ethanimine ethanimine  
511 NH2BHNH2 diaminoborane nh2bhnh2  
512 NH2CH2NH2 diaminomethane nh2ch2nh2  
513 CH3NHCH3 Dimethylamine ch3nhch3  
514 NH2CH2NH3+ diaminoethane, protonated pdam  
515 Li2O+ dilithium oxide cation li2o+  
516 Li2S dilithium sulfide li2s  
517 CCO Dicarbon monoxide cco  
518 CNO- fulminate cno-  
519 NCO- cyanate nco-  
520 SCN thiocyanato radical scn  
521 SCN- thiocyanide anion scn-  
522 BO2 Boron dioxide bo2  
523 BO2- Boron dioxide anion bo2-  
524 BO2+ Boron dioxide cation bo2+  
525 N2O+ Nitrous oxide cation n2o+  
526 NNS Nitrogen sulfide nns  
527 PPO Phosphorus oxide phosphide ppo  
528 CO2 Carbon dioxide co2  
529 CO2- Carbon dioxide anion co2-  
530 CO2+ Carbon dioxide cation co2+  
531 OCS+ Carbonyl sulfide cation cos+  
532 SiO2 silicon dioxide sio2  
533 CS2- Carbon disulfide anion cs2-  
534 CS2+ Carbon disulfide cation cs2+  
535 TiO2 Titanium dioxide tio2  
536 GeS2 Germanium disulfide ges2  
537 CSe2 Carbon diselenide cse2  
538 SCTe Carbon sulfide Telluride scte  
539 NO2- Nitrogen dioxide anion no2-  
540 PO2 Phosphorus dioxide po2  
541 PO2- Phosphorus dioxide anion po2-  
542 PO2+ Phosphorus dioxide cation po2+  
543 AsO2 Aresenic dioxide aso2  
544 O3- Ozone anion o3-  
545 O3+ Ozone cation o3+  
546 SO2- Sulfur dioxide anion so2-  
547 SO2+ Sulfur dioxide cation so2+  
548 S3- Sulfur trimer anion s3-  
549 S3+ Sulfur trimer cation s3+  
550 TeO2 Tellurium Dioxide teo2  
551 CS2H+ Carbon disulfide, protonated cs2h+  
552 HNCO Isocyanic acid hnco  
553 HOCN cyanic acid hocn  
554 HCO2- formate anion hco2-  
555 HNNO nitrosoazane hnno  
556 HCOO formate neutral radical hcoo  
557 HOCO Hydrocarboxyl radical hoco  
558 HOCO+ Hydrocarboxyl cation hoco+  
559 HNO2 Nitrous acid hno2  
560 HNO2+ nitrous acid cation hno2+  
561 CH2CO+ Ketene cation ch2co+  
562 HCCOH ethynol hccoh  
563 Mg(OH)2 Magnesium dihydroxide h2mgo2  
564 CH2O2 Dioxirane diox  
565 H2O3 Hydrogen trioxide h2o3  
566 HSSSH trisulfane hsssh  
567 NaOCH3 Sodium methoxide naoch3  
568 CH2CHO Vinyloxy radical ch2cho  
569 CH3CO Acetyl radical ch3co  
570 CH3CO- Acetyl anion ch3co-  
571 CH3CO+ acetyl cation ch3co+  
572 HOCHNH hydroxymethylimine hochnh  
573 CH2OOH CH2OOH radical ch2ooh  
574 CH3OO methylperoxy radical ch3oo  
575 CH3OO- methylperoxy anion ch3oo-  
576 CH3OO+ methylperoxy cation ch3oo+  
577 CH2CHOH ethenol ch2choh  
578 H2CONH2+ protonated formamide h2conh2+  
579 NH3CHO+ Formamide, N-Protonated nh3cho+  
580 CH2(OH)2 methanediol ch2o2h2  
581 CH3OOH Methyl peroxide ch3ooh  
582 H2OH2CO water formaldehyde dimer h2oh2co  
583 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
584 CH3CH2O Ethoxy radical ethoxy  
585 CH3CHOH+ acetaldehyde, protonated ch3choh+  
586 CH3OCH2 methoxymethyl radical ch3och2  
587 CH3CH2OH Ethanol etoh  
588 CH3OCH3 Dimethyl ether meome  
589 CH3OHH2O methanol water dimer ch3ohh2o  
590 H2OCH3OH water methanol dimer h2och3oh  
591 ZnF2 Zinc difluoride znf2  
592 FCN Cyanogen fluoride fcn  
593 ClCN chlorocyanogen clcn  
594 ICN Cyanogen iodide icn  
595 BeF2 Beryllium fluoride bef2  
596 MgF2 Magnesium fluoride mgf2  
597 BeCl2 Beryllium chloride becl2  
598 MgCl2 Magnesium dichloride mgcl2  
599 CaCl2 Calcium Chloride cacl2  
600 ZnCl2 Zinc dichloride zncl2  
601 CaF2 Calcium difluoride caf2  
602 FCO Carbonyl fluoride fco  
603 FCO+ Carbonyl fluoride cation fco+  
604 ClCO carbonyl monochloride clco  
605 BrNO Nitrosyl bromide brno  
606 CF2- Difluoromethylene anion cf2-  
607 CF2+ Difluoromethylene cation cf2+  
608 CCl2 dichloromethylene ccl2  
609 CCl2- dichloromethylene anion ccl2-  
610 CCl2+ dichloromethylene cation ccl2+  
611 SiCl2 Dichlorosilylene sicl2  
612 GeF2 Germanium difluoride gef2  
613 FOO Dioxygen monofluoride radical foo  
614 ClOO chloroperoxy radical cloo  
615 ClOO+ chloroperoxy cation cloo+  
616 OClO+ Chlorine dioxide cation oclo+  
617 ClS2 Sulfur chloride cls2  
618 NF2 Difluoroamino radical nf2  
619 NF2+ Difluoroamino cation nf2+  
620 F2O Difluorine monoxide f2o  
621 SF2- sulfur difluoride anion sf2-  
622 SF2+ sulfur difluoride cation sf2+  
623 Cl2O Dichlorine monoxide cl2o  
624 SCl2 Sulfur dichloride scl2  
625 BrOCl Bromine hypochlorite brocl  
626 BrOBr Bromine oxide brobr  
627 F3- trifluoride anion f3-  
628 Cl3- trichloride anion cl3-  
629 I3- triiodide i3-  
630 HCCF+ fluoroacetylene cation hccf+  
631 HCCCl Chloroacetylene hcccl  
632 HFCO formyl fluoride hfco  
633 HFCO+ formyl fluoride cation hfco+  
634 COHCl Formyl chloride cohcl  
635 COHBr Formyl bromide cohbr  
636 BHF2 Difluoroborane bhf2  
637 BHCl2 Borane, dichloro- bhcl2  
638 HOClO Chlorous acid hoclo  
639 CH2FCl fluorochloromethane ch2fcl  
640 CH2FI fluoroiodomethane ch2fi  
641 CH2BrI bromoiodomethane ch2bri  
642 CH2I2 Diiodomethane ch2i2  
643 CH2CHF+ fluoroethene cation ch2chf+  
644 C2H3Cl Ethene, chloro- ch2chcl  
645 C2H3Br vinyl bromide c2h3br  
646 CH3OCl methyl hypochlorite ch3ocl  
647 C2H5F fluoroethane c2h5f  
648 CH3CH2Cl Ethyl chloride c2h5cl  
649 CH3SiFH2 fluoromethylsilane ch3sifh2  
650 C2H5I Ethyl iodide c2h5i  
651 KrF2 Krypton difluoride krf2  
652 XeF2 Xenon difluoride xef2  
653 B4H10 Tetraborane(10) b4h10  
654 C4+ Carbon tetramer cation c4+  
655 C4H2 Diacetylene c4h2  
656 C2H3CCH 1-Buten-3-yne c2h3cch  
657 C4H4 cyclobutadiene cbd  
658 H2CCCCH2 Butatriene h2cccch2  
659 C4H6 Cyclobutene c822355  
660 C4H6 Methylenecyclopropane c6142730  
661 CH2CCHCH3 1,2-Butadiene butad12  
662 CH2CHCHCH2 1,3-Butadiene c106990  
663 CH3CCCH3 2-Butyne c503173  
664 CHCCH2CH3 1-Butyne c107006  
665 CH3CHCHCH2 methylallyl radical c4h7  
666 C4H8 methylcyclopropane mcp  
667 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
668 CH3CHCHCH3 2-Butene, (E)- bute2e  
669 CH3CHCHCH3 2-Butene, (Z)- bute2z  
670 B(CH3)3 trimethylborane bme3  
671 Al(CH3)3 trimethyl aluminum tma  
672 C(CH3)3 Tert-butyl radical tbutyl  
673 CH2CH(CH3)2 Isobutyl radical isobutyl  
674 CH3CHCH2CH3 2-Butyl radical butyl2  
675 CH3CH(CH3)CH3 Isobutane isobutane  
676 SiH(CH3)3 trimethylsilane trimsi  
677 Li3N trilithium nitride li3n  
678 C2N2+ Cyanogen cation c2n2+  
679 P4 Phosphorus tetramer p4  
680 HCCCN Cyanoacetylene hcccn  
681 C3H3N acrylonitrile ch2chcn  
682 C3H3N+ acrylonitrile cation ch2chcn+  
683 CH5N3 Guanidine guanidine  
684 C4H6 Bicyclo[1.1.0]butane c157335  
685 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
686 CH6N3+ guanidinium ch6n3+  
687 C3H7N Cyclopropylamine cpram  
688 C3H7N Azetidine azet  
689 C2H8N2 Ethylenediamine ethdiam  
690 CH3NHNHCH3 dimethyl hydrazine dmh  
691 CH3CH(NH2)CH3 2-Propanamine pram2  
692 N(CH3)3 Trimethylamine trimeam  
693 P(CH3)3 trimethylphosphine tmp  
694 As(CH3)3 trimethyl arsine tmas  
695 B2O2 Diboron dioxide b2o2  
696 CO3 Carbon trioxide co3  
697 CO3-- carbonate co3--  
698 NO3 Nitrogen trioxide no3  
699 NO3+ nitrogen trioxide cation no3+  
700 SO3- Sulfur trioxide anion so3-  
701 SO3+ Sulfur trioxide cation so3+  
702 SeO3 selenium trioxide seo3  
703 HCO3- bicarbonate anion hco3-  
704 HSO3 Hydroxysulfonyl radical hso3  
705 C2H2CO cyclopropenone c2h2co  
706 HCCCHO 2-propynal hcccho  
707 C2H2O2+ Ethanedial cation c2h2o2+  
708 H2CO3 Carbonic acid h2co3  
709 H2CS3 thiocarbonic acid h2cs3  
710 H2NO3+ Nitric Acid, Protonated h2no3+  
711 H2SO3 Sulfurous acid h2so3  
712 CH3COO- acetate anion ch3coo-  
713 CH3ONO Methyl nitrite ch3ono  
714 NH2COOH Carbamic acid nh2cooh  
715 H3BO3 Boric acid h3bo3  
716 H3CO3+ carbonic acid, protonated h3co3+  
717 C3H4O 2-Propyn-1-ol c107197  
718 C3H4O allenol c9000071  
719 C3H4O Cyclopropanone cpone  
720 C3H4O Methylketene c6004440  
721 NH2CONH2+ Urea cation urea+  
722 NH2CSNH2 Thiourea thiourea  
723 C2H4O2 1,3-dioxetane c2h4o2  
724 CH3COOH Acetic acid ch3cooh  
725 CH3OCHO methyl formate ch3ocho  
726 CHOCH2OH hydroxy acetaldehyde haa  
727 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
728 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
729 HCOOHH2O Formic acid water dimer hcoohh2o  
730 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
731 CH3COCH2 Acetonyl radical ch3coch2  
732 CH3CONH2 Acetamide acetamide  
733 C2H5OO ethylperoxy radical c2h5oo  
734 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
735 C3H6O 2-Propen-1-ol c107186  
736 C3H6O Propylene oxide prox  
737 CH3COCH3 Acetone acetone  
738 CH3COCH3- acetone anion ch3coch3-  
739 C3H6S Thietane thietane  
740 C3H6S Thiirane, methyl- methiirane  
741 CH3CSCH3 Thioacetone ch3csch3  
742 CH3OOCH3 dimethylperoxide dmp  
743 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
744 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
745 HOCH2CH2NH2 monoethanolamine mea  
746 CH3CHOHCH3 Isopropyl alcohol isoproh  
747 CH3OC2H5 Ethane, methoxy- etome  
748 CH3CHSHCH3 2-Propanethiol isoprsh  
749 CH3SCH2CH3 Ethane, (methylthio)- etsme  
750 H2OCH3OCH3 water dimethylether dimer h2och3och3  
751 Na2F2 Sodium Fluoride Dimer na2f2  
752 Na2Cl2 Disodium dichloride na2cl2  
753 C2F2 difluoroacetylene c2f2  
754 C2Cl2 dichloroacetylene c2cl2  
755 C2Cl2+ dichloroacetylene cation c2cl2+  
756 ClNO2 Nitryl chloride clno2  
757 BrONO Bromine nitrite brono  
758 N2F2 (Z)-Difluorodiazene n2f2_z  
759 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
760 COFCl Carbonic chloride fluoride cofcl  
761 CCl2O Phosgene cl2co  
762 Cl2CS Thiophosgene cl2cs  
763 COBr2 Carbonic dibromide cobr2  
764 BF3 Borane, trifluoro- bf3  
765 BF3- Borane, trifluoro- anion bf3-  
766 AlF3 Aluminum trifluoride alf3  
767 AlF2Cl Aluminum chloride difluoride alclf2  
768 ScF3 Scandium trifluoride ScF3  
769 AlFCl2 Aluminum dichloride fluoride alcl2f  
770 AlCl3 Aluminum trichloride alcl3  
771 BBr3 Boron tribromide bbr3  
772 AlBr3 Aluminum Bromide albr3  
773 ClO3 Chlorine trioxide clo3  
774 ClO3- chlorate anion clo3-  
775 BrO3- Bromate anion bro3-  
776 CF3 Trifluoromethyl radical cf3  
777 CF3- Trifluoromethyl anion cf3-  
778 CF3+ Trifluoromethyl cation cf3+  
779 CCl3 Trichloromethyl radical ccl3  
780 CCl3- Trichloromethyl anion ccl3-  
781 CCl3+ Trichloromethyl cation ccl3+  
782 SiCl3 trichlorosilyl radical sicl3  
783 SiCl3+ trichlorosilyl cation sicl3+  
784 FOOF Perfluoroperoxide foof  
785 F2SO Thionyl Fluoride f2so  
786 FSSF Difluorodisulfane fssf  
787 S2F2 Thio-thionyl fluoride s2f2  
788 SOCl2 thionyl chloride socl2  
789 SeOCl2 selenium oxychloride seocl2  
790 NF3- Nitrogen trifluoride anion nf3-  
791 NF3+ Nitrogen trifluoride cation nf3+  
792 PF3 Phosphorus trifluoride pf3  
793 AsF3 Arsenic trifluoride asf3  
794 PCl3 Phosphorus trichloride pcl3  
795 SbF3 Antimony Trifluoride sbf3  
796 SbCl3 Antimony Trichloride sbcl3  
797 PBr3 Phosphorus tribromide pbr3  
798 AsBr3 Arsenic tribromide asbr3  
799 NI3 Nitrogen triiodide ni3  
800 PI3 Phosphorus triiodide pi3  
801 ClSSCl Disulfur dichloride s2cl2  
802 SF3 Sulfur trifluoride sf3  
803 BrF3 Bromine trifluoride brf3  
804 IF3 iodone trifluoride if3  
805 CHF2Cl difluorochloromethane chf2cl  
806 CHFCl2 fluorodichloromethane chfcl2  
807 CDCl3 trichloromethane-d cdcl3  
808 CHCl3 Chloroform chcl3  
809 SiHCl3 Trichlorosilane sihcl3  
810 CHF2I difluoroiodomethane chf2i  
811 CHFClI fluorochloroiodomethane chfcli  
812 CHCl2I dichloroiodomethane chcl2i  
813 CHClBr2 Methane, dibromochloro- chclbr2  
814 CHBr3 bromoform chbr3  
815 CHI3 Iodoform chi3  
816 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
817 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
818 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
819 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
820 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
821 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
822 CH2FCHO Fluoroacetaldehyde ch2fcho  
823 CH3COF Acetyl fluoride ch3cof  
824 CH2ClCHO chloroacetaldehyde ch2clcho  
825 CH3COCl Acetyl Chloride ch3cocl  
826 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
827 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
828 CH2CFCH3 2-fluoropropene 2fpro  
829 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
830 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
831 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
832 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
833 CH3CHClCH3 Propane, 2-chloro- prcl2  
834 CH3CH2CH2Br n-propyl bromide prbr  
835 CH3CHBrCH3 i-propyl bromide iprbr  
836 C3H9O+ trimethyl oxonium cation c3h9o+  
837 C5H5 cyclopentadienyl radical c5h5  
838 C5H5- cylopentadienyl anion c5h5-  
839 C5H6 1,3-Cyclopentadiene c542927  
840 C5H6 1-Buten-3-yne, 2-methyl- c78808  
841 C5H6 3-Penten-1-yne, (E)- c2004695  
842 C5H6 3-Penten-1-yne, (Z)- c1574409  
843 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
844 C5H6 Cyclopropylacetylene c6746947  
845 C5H7 1,3-pentadienyl radical pdyl  
846 C5H7 cyclopentenyl radical cpyl  
847 C5H8 1,2-Butadiene, 3-methyl- c598254  
848 C5H8 1,2-Pentadiene c591957  
849 C5H8 1,3-Butadiene, 2-methyl- c78795  
850 C5H8 1,3-Pentadiene, (E)- c2004708  
851 C5H8 1,3-Pentadiene, (Z)- c1574410  
852 C5H8 1,4-Pentadiene c591935  
853 C5H8 1-pentyne a1pentyne  
854 C5H8 2,3-Pentadiene c591968  
855 C5H8 Cyclobutane, methylene- c1120565  
856 C5H8 Cyclopentene c142290  
857 C5H8 Ethenylcyclopropane c693867  
858 C5H10 1-Butene, 2-methyl- c563462  
859 C5H10 2-Butene, 2-methyl- c513359  
860 C5H10 2-Pentene, (E)- c646048  
861 C5H10 2-Pentene, (Z)- c627203  
862 C5H10 Cyclopentane c287923  
863 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
864 CH2CHCH2CH2CH3 1-pentene pentene  
865 C5H11 2-Methylbut-2-yl radical c4348350  
866 C5H12 Butane, 2-methyl- buta2  
867 C5H12 Pentane pentane  
868 C5H12 Propane, 2,2-dimethyl- neopentane  
869 Si(CH3)4 tetramethylsilane tms  
870 N2O3 Dinitrogen trioxide n2o3  
871 C3H2N2 Malononitrile c3h2n2  
872 CH2N4 1H-Tetrazole 1htz  
873 C3H3N2 imidazolyl radical im  
874 C3H3N2- imidizolyl anion im-  
875 C2H3N3 1H-1,2,4-Triazole c288880  
876 C4H4N pyrrolide radical c4h4n  
877 C4H4N- pyrrolide anion c4h4n-  
878 C4H5N (E)-2-Butenenitrile c627269  
879 C4H5N (Z)-2-Butenenitrile c1190767  
880 C4H5N 2H-pyrrole pyrrole2  
881 C4H5N 3H-pyrrole pyrrole3  
882 C4H5N Cyclopropanecarbonitrile c5500210  
883 CH2CHCH2CN Allylcyanide ch2chch2cn  
884 C3H6N2 3-Aminopropionitrile c151188  
885 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
886 CH3CH2CH2CN Butanenitrile c109740  
887 C5H8 Bicyclo[2.1.0]pentane c185944  
888 C5H8 Spiropentane c157404  
889 C4H9N Cyclobutylamine cbam  
890 C4H9N Pyrrolidine pyrrolidine  
891 C3H10N2 1,2-Diaminopropane diampr12  
892 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
893 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
894 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
895 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
896 NC4H12+ tetramethyl ammonium cation nc4h12+  
897 C3O2+ Carbon suboxide cation c3o2+  
898 CaCO3 Calcium Carbonate caco3  
899 ONONO Nitrosyl nitrite onono  
900 PO4--- phosphate po4---  
901 SO4-- sulfate so4--  
902 HOONO2 peroxy nitric acid hoono2  
903 HSO4- bisulfate anion hso4-  
904 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
905 C3H2O2 Propiolic acid c3h2o2  
906 CHOCOOH oxo acetic acid oaa  
907 H2SO4 Sulfuric acid h2so4  
908 H2SeO4 Selenic acid h2seo4  
909 C3H3NO Oxazole oxazole  
910 CH3C(O)OO acetyl peroxy radical ch3coo2  
911 CH3NO3 Methyl nitrate ch3no3  
912 H3PO4 Phosphoric Acid h3po4  
913 C4H4O Furan furan  
914 C4H4O+ Furan cation furan+  
915 C4H4S Thiophene furans  
916 C3H4O2 β–Propiolactone beta  
917 C3H4O2 2-Propenoic acid propenoic2  
918 C3H4O2 Methyl glyoxal megly  
919 C3H4O2 propanedial propanedial  
920 C3H4O2 propenalol propenalol  
921 HOCHCCHOH allenediol aldiol  
922 C2H4O3 1,2,3-trioxolane c2h4o3  
923 C2H4O3 trioxolane124 triox  
924 HOCH2COOH Hydroxyacetic acid hac  
925 CH2CHCONH2 Acrylamide c79061  
926 CH5N3S Hydrazinecarbothioamide c79196  
927 H2NCH2COOH Glycine glycine  
928 C4H6O cis-2-butenal butenal2c  
929 C4H6O Cyclobutanone cbutone  
930 C4H6O Furan, 2,3-dihydro- furan23h  
931 C4H6O Furan, 2,5-dihydro- furan25h  
932 CH2CHOCHCH2 Vinyl ether vinylether  
933 CHOCHCHCH3 2-Butenal butenal2  
934 C4H6S Thiophene, 2,3-dihydro- thiop23h  
935 C4H6S Thiophene, 2,5-dihydro- thiop25h  
936 C2H6N2O Urea, methyl- c598505  
937 C3H6O2 1,3-Dioxolane dioxolane  
938 CH3CH2COOH Propanoic Acid propanoic  
939 CH3COOCH3 methyl acetate aame  
940 CH3SSSCH3 dimethyl trisulfide c2h6s3  
941 C3H7NO dimethylformamide dmf  
942 C3H7NO Propanamide propanam  
943 C2H3OC2H5 Ethene, ethoxy- c109922  
944 C4H8O Cyclobutanol c2919235  
945 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
946 CH3COCH2CH3 2-Butanone buta2one  
947 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
948 CHOCH2CH2CH3 Butanal butanal  
949 C3H8O2 1,3-Propanediol c504632  
950 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
951 C3H8O2 Methane, dimethoxy- c109875  
952 C3H8O2 Propylene glycol c57556  
953 C3H8S2 1,3-Propanedithiol c109808  
954 C4H10O 1-Butanol butanol1  
955 C4H10O 1-Propanol, 2-methyl- c78831  
956 C4H10O 2-Butanol, (.+/-.)- butanol2  
957 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
958 C4H10O Ethoxy ethane etoet  
959 C4H10O Propane, 2-methoxy- c598538  
960 C4H10O+ 1-Butanol cation butanol1+  
961 C2H5SC2H5 Diethyl sulfide etset  
962 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
963 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
964 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
965 FNO3 Fluorine nitrate fno3  
966 ClONO2 Chlorine nitrate clono2  
967 BrONO2 Bromine nitrate brono2  
968 TiCl4 Titanium tetrachloride ticl4  
969 ClO4- perchlorate anion clo4-  
970 BF4- tetrafluoroboron anion bf4-  
971 ClFO3 Perchloryl fluoride clfo3  
972 SO2F2 Sulfuryl fluoride so2f2  
973 SO2Cl2 Sulfuryl chloride so2cl2  
974 F3NO Nitrogen trifluoride oxide f3no  
975 F3PO Phosphoryl fluoride pf3o  
976 Cl3PO Phosphoryl chloride pcl3o  
977 CF4 Carbon tetrafluoride cf4  
978 SiF4 Silicon tetrafluoride sif4  
979 TiF4 Titanium tetrafluoride tif4  
980 CFCl3 Trichloromonofluoromethane cfcl3  
981 CCl4 Carbon tetrachloride ccl4  
982 CCl4+ Carbon tetrachloride cation ccl4+  
983 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
984 SiCl4 Silane, tetrachloro- sicl4  
985 CF3I trifluoroiodomethane cf3i  
986 CBrCl3 Methane, bromotrichloro- cbrcl3  
987 CBr2F2 Methane, dibromodifluoro- cbr2f2  
988 GeCl4 Germanium Tetrachloride gecl4  
989 CCl3I trichloroiodomethane ccl3i  
990 CFClBrI fluorochlorobromoiodomethane cfclbri  
991 CCl2I2 dichlorodiiodomethane ccl2i2  
992 CBr3I tribromoiododmethane cbr3i  
993 CI4 tetraiodomethane ci4  
994 C2HF3 Trifluoroethylene c2hf3  
995 C2HF3+ Trifluoroethylene cation c2hf3+  
996 CHClCCl2 Trichloroethylene chclccl2  
997 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
998 HClO4 perchloric acid hclo4  
999 HSO3F Fluorosulfonic acid hso3f  
1000 CF3OH trifluoromethanol cf3oh  
1001 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1002 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1003 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1004 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1005 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1006 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1007 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1008 NH3BCl3 Amminetrichloroboron nh3bcl3  
1009 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1010 C3H5ClO Oxirane, (chloromethyl)- c106898  
1011 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1012 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1013 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1014 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1015 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1016 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1017 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1018 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1019 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1020 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1021 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1022 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1023 C4H9F 1-fluorobutane butaf1  
1024 CH3CHFCH2CH3 2-fluorobutane butaf2  
1025 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1026 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1027 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1028 XeF4 Xenon tetrafluoride xef4  
1029 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1030 C6H2 hexatriyne c6h2  
1031 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1032 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1033 C6H4 Benzyne benzyne  
1034 C6H5 phenyl phenyl  
1035 C6H5- phenyl anion phenyl-  
1036 C6H6 2,4-Hexadiyne hexadiyne  
1037 C6H6 3,4-Dimethylenecyclobutene cb34m  
1038 C6H6 Trimethylenecycopropane tmcp  
1039 C6H7+ benzene, protonated c6h7+  
1040 C6H8 (E)-hexa-1,3,5-triene c821078  
1041 C6H8 (E)-hexa-2,3,4-triene c59660650  
1042 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1043 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1044 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1045 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1046 C6H8 3-Methylenecyclopentene c930267  
1047 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1048 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1049 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1050 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1051 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1052 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1053 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1054 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1055 C6H10 1-Hexyne hexyne1  
1056 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1057 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1058 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1059 C6H10 2-Hexyne c764352  
1060 C6H10 cyclohexene cyclohexene  
1061 C6H10 Cyclopentene, 1-methyl- c693890  
1062 C6H10 Cyclopentene, 3-methyl- c1120623  
1063 C6H10 Cyclopentene, 4-methyl- c1759815  
1064 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1065 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1066 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1067 C6H12 (E)-2-Hexene e2hexene  
1068 C6H12 (E)-3-methylpent-2-ene c616126  
1069 C6H12 (E)-hex-3-ene e3hexene  
1070 C6H12 (Z)-3-methylpent-2-ene c922623  
1071 C6H12 (Z)-hex-2-ene z2hexene  
1072 C6H12 (Z)-hex-3-ene z3hexene  
1073 C6H12 2,3-dimethylbut-1-ene c563780  
1074 C6H12 2,3-dimethyl-but-2-ene tmeet  
1075 C6H12 3-methylenepentane c760214  
1076 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1077 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1078 C6H12 Cyclohexane cyclohexane  
1079 C6H12 Cyclopentane, methyl- c96377  
1080 C6H12 Ethylcyclobutane c4806615  
1081 C6H12 hex-1-ene hexene1  
1082 C6H14 Butane, 2,2-dimethyl- buta22  
1083 C6H14 Butane, 2,3-dimethyl- buta23  
1084 C6H14 Hexane hexane  
1085 C6H14 Pentane, 2-methyl- penta2  
1086 C6H14 Pentane, 3-methyl- penta3  
1087 C4N2 2-Butynedinitrile c4n2  
1088 C4H2N2 Fumaronitrile c4h2n2  
1089 C2H2N4 sym-tetrazine ttz  
1090 C3H3N3 1,3,5-Triazine triazine135  
1091 CH3N5 5-Aminotetrazole c4418615  
1092 C4H4N2 1,3-Diazine diazine13  
1093 C4H4N2 Pyrazine pyrazine  
1094 C4H4N2 Pyridazine pyridazine  
1095 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1096 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1097 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1098 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1099 C5H5N E-2,4-pentadienenitrile bdcn  
1100 C5H5N Pyridine pyridine  
1101 B3N3H6 borazine borazine  
1102 C6H6 Fulvene fulvene  
1103 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1104 C5H7N (E)-2-Pentenenitrile c26294984  
1105 C5H7N (E)-3-Pentenenitrile c16529661  
1106 C5H7N (Z)-2-Pentenenitrile c25899507  
1107 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1108 C5H7N Cyclobutanecarbonitrile c4426113  
1109 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1110 C5H9N Butanenitrile, 2-methyl- c18936179  
1111 C5H9N Pentanenitrile c110598  
1112 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1113 C6H10 Bicyclo[3.1.0]hexane c285585  
1114 C5H11N Cyclopentanamine cypentam  
1115 C5H11N Piperidine piper  
1116 C4H12N2 1,2-Butanediamine c4426486  
1117 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1118 Na2CO3 Sodium Carbonate na2co3  
1119 C2O4-- oxalate anion c2o4  
1120 C2H3NO3 Oxamic acid oxamic  
1121 C4H4O2 2(5H)-Furanone furanone  
1122 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1123 C2H4N2O2 Oxalamide oxalamide  
1124 C2H4CO3 Ethylene carbonate etco3  
1125 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1126 C3H4S3 1,3-Dithiolane-2-thione c822388  
1127 C4H5NO 3-Methylisoxazole isox3m  
1128 C4H5NO Isoxazole, 5-methyl- c5765446  
1129 C4H5NS 4-Methylthiazole c693958  
1130 C2H5NO3 Nitric acid, ethyl ester c625581  
1131 C5H6O 2-methylfuran furan2m  
1132 C5H6O 3-Methylfuran furan3m  
1133 C5H6S Thiophene, 2-methyl- c554143  
1134 C5H6S Thiophene, 3-methyl- c616444  
1135 C4H6O2 2,3-Butanedione c431038  
1136 C4H6O2 2-Propenoic acid, methyl ester c96333  
1137 C4H6O2 Crotonic Acid crot  
1138 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1139 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1140 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1141 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1142 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1143 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1144 C4H6OS Vinyl sulfoxide c1115157  
1145 C2H6N2O2 (E)-Azodioxymethane c37765154  
1146 C2H6N2O2 Dimethylnitroamine c4164287  
1147 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1148 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1149 C4H7NO 2-Pyrrolidinone c616455  
1150 C4H7NO Ethoxyacetonitrile etoaccn  
1151 C4H7NO Methacrylamide c79390  
1152 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1153 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1154 C3H7ONO Propyl nitrite prono  
1155 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1156 CH3CH(NH2)COOH Alanine alanine  
1157 CH3NHCH2COOH Sarcosine sarcosine  
1158 NH2CH2CH2COOH β–alanine betaalanine  
1159 NH2COOC2H5 Urethane urethane  
1160 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1161 C5H8O Cyclopentanone c120923  
1162 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1163 C5H8O Methyl cyclopropyl ketone c765435  
1164 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1165 NH2CONHC2H5 Urea, ethyl- c625525  
1166 C4H8O2 1,3-Dioxane dioxan13  
1167 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1168 C4H8O2 1,4-Dioxane dioxan14  
1169 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1170 C4H8OS s-Ethyl thioacetate c625605  
1171 C3H8O3 1,2,3-Propanetriol glycerin  
1172 C3H8O2S (Methylsulfonyl)ethane c594434  
1173 C4H9NO Butanamide c541355  
1174 C4H9NO Propanamide, 2-methyl- c563837  
1175 C5H10O 2-Butanone, 3-methyl- c563804  
1176 C5H10O 2H-Pyran, tetrahydro- c142687  
1177 C5H10O 2-methylbutyraldehyde 2meba  
1178 C5H10O 2-Pentanone mpk  
1179 C5H10O Cyclopentanol c96413  
1180 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1181 C5H10O Pentanal pal  
1182 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1183 C5H10S 3-Ethylthio-1-propene c5296628  
1184 C5H10S Cyclopentanethiol c1679078  
1185 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1186 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1187 C4H10O2 1,1-Dimethoxyethane c534156  
1188 C4H10O2 1,3-Butanediol budiol13  
1189 C4H10O2 1,4-Butanediol budiol14  
1190 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1191 C4H10OS Diethyl sulfoxide c70291  
1192 C4H10S2 1,4-Butanedithiol budisl14  
1193 C4H11NO Diethylhydroxylamine c3710847  
1194 C5H12O 1-Butanol, 2-methyl- c137326  
1195 C5H12O 1-Butanol, 3-methyl- c123513  
1196 C5H12O 1-Pentanol pentanol1  
1197 C5H12O 2-Butanol, 3-methyl- c598754  
1198 C5H12O 2-Pentanol peol2  
1199 C5H12O 3-Pentanol pentan3ol  
1200 C5H12O Butane, 1-methoxy- meobu  
1201 C5H12O Propane, 1-ethoxy- proet  
1202 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1203 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1204 C5H12S 1-Butanethiol, 3-methyl- c541311  
1205 C5H12S 1-Pentanethiol c110667  
1206 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1207 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1208 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1209 C5H12S Butane, 1-(methylthio)- c628295  
1210 C5H12S Ethyl propyl sulfide c4110503  
1211 C5H12S Propane, 2-(ethylthio)- c5145993  
1212 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1213 CF3CN Acetonitrile, trifluoro- cf3cn  
1214 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1215 B2F4 Diboron tetrafluoride b2f4  
1216 B2Cl4 Diboron tetrachloride b2cl4  
1217 C2F4 Tetrafluoroethylene c2f4  
1218 C2F4+ Tetrafluoroethylene cation c2f4+  
1219 C2FCl3 fluorotrichloroethene c2fcl3  
1220 C2Cl4 Tetrachloroethylene c2cl4  
1221 CF3OF Trifluoromethylhypofluorite cf3of  
1222 AsF5 Arsenic pentafluoride asf5  
1223 PCl5 Phosphorus pentachloride pcl5  
1224 SF5 Sulfur pentafluoride sf5  
1225 SbCl5 Antimony pentachloride sbcl5  
1226 BrF5 bromine pentafluoride brf5  
1227 ClF5 chlorinepentafluoride clf5  
1228 IF5 pentafluoroiodine if5  
1229 CF3CHO trifluoroacetaldehyde cf3cho  
1230 CCl3CHO trichloroacetaldehyde ccl3cho  
1231 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1232 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1233 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1234 CF3COOH trifluoroacetic acid cf3cooh  
1235 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1236 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1237 C4H8Cl2 1,4-Dichlorobutane c110565  
1238 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1239 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1240 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1241 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1242 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1243 C5H11Cl Pentane, 1-chloro- pencl1  
1244 C6H5CH2 benzyl radical benzyl  
1245 C6H5CH3 toluene toluene  
1246 C7H8 cycloheptatriene cht  
1247 C7H8 Norbornadiene norbor  
1248 C7H12 Norbornane nor  
1249 C7H14 cycloheptane c7h14  
1250 C7H16 2-methylhexane 2mhex  
1251 C7H16 3-methylhexane hex3m  
1252 C7H16 heptane heptane  
1253 C6H7N 2-Methylpyridine mp  
1254 C6H5NH2 aniline aniline  
1255 C6H13N 2-Methylpiperidine pip2m  
1256 C6H13N cyclohexanamine cham  
1257 C6H15N triethylamine tea  
1258 N2O5 Dinitrogen pentoxide n2o5  
1259 C4H2O3 Maleic Anhydride malan  
1260 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1261 C6H5O phenoxy radical phenoxy  
1262 C5H5NO 2(1H)-Pyridinone c72762006  
1263 C5H5NO 2(3H)-Pyridinone c9000048  
1264 C5H5NO 2(5H)-Pyridinone c9000037  
1265 C5H5NO 2-Pyridinol c109104  
1266 C5H5NO 3(2H)-Pyridinone c9000004  
1267 C5H5NO 3(4H)-Pyridinone c9000026  
1268 C5H5NO 3(6H)-Pyridinone c9000015  
1269 C5H5NO 3-Pyridinol c109002  
1270 C5H5NO 4(1H)-Pryidinone c9000060  
1271 C5H5NO 4(3H)-Pryidinone c9000059  
1272 C5H5NO 4-Pyridinol c626642  
1273 C6H5OH phenol phenol  
1274 C6H6O 2,4-Cyclohexadienone c24599573  
1275 C6H6O 2,5-Cyclohexadienone c5664335  
1276 C6H5SH Benzenethiol phsh  
1277 HO2CCHNH2CH2OH Serine serine  
1278 C5H8O2 Acetylacetone acac  
1279 C4H8O2S Sulfolane sulfolane  
1280 CH(C2H3)3 trivinyl methane tvm  
1281 C6H10O cyclohexanone chexo  
1282 C6H12O hexanal c6h12o  
1283 C3H7OC3H7 di-n-propyl ether propr  
1284 CF3COCl trifluoroacetyl chloride cf3cocl  
1285 PF6- Hexafluorophosphate ion pf6-  
1286 SeF6 Selenium hexafluoride sef6  
1287 SF5Cl sulfur chloropentafluoride sf5cl  
1288 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1289 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1290 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1291 CCl3CHCl2 pentachloroethane ccl3chcl2  
1292 C6H5F Fluorobenzene bzf  
1293 C6H5Cl chlorobenzene bzcl  
1294 C6H5Br bromobenzene bzbr  
1295 C8H6 Calicene calicene  
1296 C6H5CCH phenylacetylene phac  
1297 C8H6 benzocyclobutadiene bcbd  
1298 C8H6 Pentalene pentalene  
1299 C6H5CHCH2 Styrene styrene  
1300 C8H8 cubane cubane  
1301 C8H8 cyclooctatetraene cot  
1302 C6H5CH2CH3 Ethylbenzene etbz  
1303 CH3C6H4CH3 meta-xylene mxylene  
1304 CH3C6H4CH3 paraxylene pxylene  
1305 C8H14 Bicyclo[2.2.2]octane bico222  
1306 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1307 C8H18 Octane c8h18  
1308 C6H5CN phenyl cyanide phcn  
1309 C6H12N2 Triethylenediamine ted  
1310 C4O4-- squarate dianion c4o4--  
1311 S8 Octasulfur s8  
1312 C6H4O2 parabenzoquinone pbq  
1313 C4H4N2O2 Uracil uracil  
1314 C6H5OCH3 Anisole anisole  
1315 C5H9NO2 Proline proline  
1316 C6H12O2 Methyl pivalate c598981  
1317 C6H12O2 Hexanoic acid hexa  
1318 C4F4 tetrafluorcyclobutadiene c4f4  
1319 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1320 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1321 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1322 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1323 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1324 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1325 C2F6 hexafluoroethane c2f6  
1326 IF7 Iodine heptafluoride if7  
1327 C6H4F2 metadifluorobenzene mdfb  
1328 C6H4F2 orthodifluorobenzene odfb  
1329 C6H4Cl2 1,3-dichlorobenzene dcb13  
1330 C9H8 Indene indene  
1331 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1332 C9H12 n-propyl benzene prbz  
1333 C(CN)4 tetracyanomethane c5n4  
1334 C5H4N4 purine purine  
1335 C8H7N Indole indole  
1336 C3H3N3O3 cyanuric acid cyanuric  
1337 C6H5NO2 Nitrobenzene c6h5no2  
1338 C6H5COOH benzoic acid benzo  
1339 CH3COC6H5 acetophenone acph  
1340 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1341 C6H3F3 Benzene trifluoride 123 bzf3a  
1342 C10H8 Azulene azu  
1343 C10H16 adamantane adamantane  
1344 C6N4 Tetracyanoethylene tcne  
1345 C6N4- tetracyanoethylene anion tcne-  
1346 C10H22 Decane decane  
1347 C4F6 perfluorobutadiene c4f6  
1348 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1349 C3F8 perfluoropropane c3f8  
1350 Fe(CO)5 Iron pentacarbonyl ipc  
1351 Fe(C5H5)2 ferrocene fecp2  
1352 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1353 C12H8 Acenaphthylene acenaph  
1354 C12H10 Heptalene heptalene  
1355 C6H12O6 Inositol inositol  
1356 C6F6 hexafluorobenzene c6f6  
1357 C14H10 Anthracene anth  
1358 C14H10 Phenanthrene phenanthrene  
1359 C12H10N2 azobenzene azobenzene  
1360 C16H10 Pyrene pyrene  
1361 C18H12 Tetracene tetracene  
1362 C24H12 Coronene coronene  
1363 C60 Buckminsterfullerene c60