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List of which calculations are completed at CCSD /cc-pVQZ

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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 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 Li Lithium atom 2SKh
11 Li- Lithium atom anion 1SKh
12 Na Sodium atom 2SKh
13 LiH Lithium Hydride 1ΣC∞v
14 LiH+ lithium hydride cation 2ΣC∞v
15 NaH sodium hydride 1ΣC∞v
16 NaH+ sodium hydride cation 2ΣC∞v
17 Be Beryllium atom 1SKh
18 Be+ Beryllium atom cation 2SKh
19 Mg Magnesium atom 1SKh
20 Mg+ Magnesium atom cation 2SKh
21 BeH beryllium monohydride 2ΣC∞v
22 MgH magnesium monohydride 2ΣC∞v
23 CaH Calcium monohydride 2ΣC∞v
24 CaH+ Calcium monohydride cation 2ΣC∞v
25 TiH Titanium monohydride 4ΦC∞v
26 ZnH+ Zinc, protonated   
27 BeH2 beryllium dihydride 1ΣgD∞h
28 BeH2+ Beryllium dihydride cation 2ΣC∞v
29 BeH2+ Beryllium dihydride cation 2ΣuD∞h
30 BeH2+ Beryllium dihydride cation   
31 MgH2 magnesium dihydride 1ΣgD∞h
32 B Boron atom 2PKh
33 B Boron atom 4PKh
34 B+ Boron atom cation 1SKh
35 Al Aluminum atom 2PKh
36 Al- Aluminum atom anion 3PKh
37 Al+ Aluminum atom cation 1SKh
38 Sc Scandium atom 2DKh
39 Sc+ Scandium cation 3DKh
40 Ga Gallium atom 2P 
41 Ga- Gallium atom anion 3POh
42 Ga+ Gallium atom cation 1S 
43 BH Boron monohydride 1ΣC∞v
44 BH Boron monohydride 3ΠC∞v
45 BH- boron monohydride anion 4ΣC∞v
46 ScH Scandium monohydride 1ΣC∞v
47 GaH Gallium monohydride 1ΣC∞v
48 GaH+ Gallium monohydride cation 2ΣC∞v
49 BH2- boron dihydride anion 3B1C2v
50 BH2- boron dihydride anion 1A1C2v
51 BH2+ Boron dihydride cation 1ΣgD∞h
52 BH3 boron trihydride 1A1'D3h
53 BH3+ boron trihydride cation 2B2C2v
54 BH3+ boron trihydride cation  C2v
55 AlH3 aluminum trihydride 1A1'D3h
56 AlH3- aluminum trihydride anion  C3v
57 ScH3 Scandium trihydride 1A1'D3h
58 ScH3 Scandium trihydride 1A1C3v
59 GaH3 Gallium trihydride 1A1'D3h
60 BH4 borohydride 2B2C2v
61 BH4- borohydride anion 1A1Td
62 C Carbon atom 3P0Kh
63 C Carbon atom 3P1Kh
64 C- Carbon atom anion 2DKh
65 C+ Carbon atom cation 2PKh
66 Si Silicon atom 3PKh
67 Si Silicon atom 1SKh
68 Si- Silicon atom anion 4SKh
69 Si+ Silicon atom cation 2PKh
70 Ge Germanium atom 3PKh
71 Ge- Germanium anion 4SKh
72 Ge+ Germanium cation 2PKh
73 CH Methylidyne 2Π1/2C∞v
74 SiH Silylidyne 2ΠC∞v
75 SiH- silicon monohydride anion 3ΣC∞v
76 SiH+ silicon monohydride cation 1ΣC∞v
77 GeH germylidene 2ΠC∞v
78 GeH+ Germaniun monohyrdide cation 1ΣC∞v
79 CH2 Methylene 3B1C2v
80 CH2 Methylene 3ΣGD∞h
81 CH2 Methylene 1A1C2v
82 CH2- methylene anion 2B1C2v
83 CH2+ methylene cation 2A1C2v
84 CH2+ methylene cation 2ΠD∞h
85 SiH2 silicon dihydride 3B1C2v
86 GeH2 germylene 1A1C2v
87 GeH2- germylene anion 2B1C2v
88 CH3 Methyl radical 2A1D3h
89 CH3- methyl anion 1A1C3v
90 CH3+ methyl cation 1A1'D3h
91 SiH3 Silyl radical 2A1C3v
92 SiH3+ Silyl cation 1A1'D3h
93 GeH3 Germyl radical 2A1C3v
94 GeH3+ germyl cation 1A1'D3h
95 CD4 methane-d4 1A1Td
96 CH2D2 methane-d2 1A1C2v
97 CH3D methane-d 1A1C3v
98 CH4 Methane 1A1Td
99 CH4- Methane anion 2A1Td
100 CH4- Methane anion 2A1C3v
101 CHD3 methane-d3 1A1C3v
102 SiH2D2 silane-d2   
103 SiH4 Silane 1A1Td
104 GeH4 Germane 1A1Td
105 SiH5+ Silane, protonated   
106 N Nitrogen atom 4SKh
107 N Nitrogen atom 2DKh
108 N+ Nitrogen atom cation 3PKh
109 P Phosphorus atom 4SKh
110 V Vanadium atom 4FKh
111 V+ Vanadium atom cation 5DKh
112 As Arsenic atomic 4SKh
113 As- Arsenic anion 3PKh
114 As+ Arsenic cation 3PKh
115 PH phosphorus monohydride 3Σ-C∞v
116 AsH Arsenic monohydride 3ΣC∞v
117 AsH Arsenic monohydride 1ΣC∞v
118 AsH+ Arsenic monohydride cation 2ΠC∞v
119 NH2 Amino radical 2B1C2v
120 NH2+ Amino cation 3B1C2v
121 NH2+ Amino cation 1A1C2v
122 AsH2+ Arsenic dihydride cation 1A1C2v
123 NH3 Ammonia 1A1C3v
124 NH3- Ammonia anion 2A1C3v
125 NH3+ ammonia cation 2A2"D3h
126 PH3 Phosphine 1A1C3v
127 PH3+ Phosphine cation 2A1C3v
128 AsH3+ Arsine cation 2A1C3v
129 AsH4+ Arsonium   
130 NH4 Ammonium radical   
131 NH4+ ammonium cation 1A1Td
132 PH4 Phosphoranyl radical   
133 PH4+ phosphonium cation   
134 O Oxygen atom 3SKh
135 O+ Oxygen atom cation 4SKh
136 S Sulfur atom 3PKh
137 S Sulfur atom   
138 S- Sulfur atom anion 2PKh
139 S+ Sulfur atom cation 4SKh
140 Se Selenium atom 3PKh
141 Se- Selenium atom anion 2PKh
142 Se+ Selenium atom cation 4SKh
143 OH Hydroxyl radical 2ΠC∞v
144 OH- hydroxide anion 1ΣC∞v
145 OH+ hydoxyl cation 3ΣC∞v
146 HS Mercapto radical 2ΠC∞v
147 HS- mercapto anion 1ΣC∞v
148 HS+ sulfur monohydride cation 3ΣC∞v
149 CrH+ Chromium hydride cation 5ΣC∞v
150 HSe Selenium monohydride 2ΠC∞v
151 HSe- selenium monohydride anion 1ΣC∞v
152 HSe+ selenium monohydride cation 3ΣC∞v
153 H2O Water 1A1C2v
154 H2O- water anion 2A1C2v
155 H2O- water anion 2A'Cs
156 H2O+ water cation 2B1C2v
157 HDO Water-d1 1A1C2v
158 H2S Hydrogen sulfide 1A1C2v
159 H2S- Hydrogen sulfide anion 2A'Cs
160 H2S+ Hydrogen sulfide cation 2B1C2v
161 H2Se Hydrogen selenide 1A1C2v
162 H2Se+ Hydrogen selenide cation 2B1C2v
163 H3O+ hydronium cation 1A1C3v
164 H3S+ Sulfonium cation 1A1C3v
165 H3Se+ Hydrogen Selenide, protonated 1A1C3v
166 F Fluorine atom 2PKh
167 F- Fluorine atom anion 1SKh
168 F+ Fluorine atom cation 3SKh
169 F+ Fluorine atom cation 1DKh
170 Cl Chlorine atom 2PKh
171 Cl- Chlorine atom anion 1SKh
172 Cl+ Chlorine atom cation 3PKh
173 Cl+ Chlorine atom cation 1DKh
174 Br Bromine atom 2PKh
175 Br- Bromine atom anion 1SKh
176 Br+ Bromine atom cation 3PKh
177 HF Hydrogen fluoride 1ΣC∞v
178 HF- hydrogen fluoride anion 2ΣC∞v
179 HF+ hydrogen fluoride cation 2ΠC∞v
180 HCl Hydrogen chloride 1ΣC∞v
181 HCl- hydrogen chloride anion 2ΣC∞v
182 HCl+ hydrogen chloride cation 2ΠC∞v
183 HBr hydrogen bromide 1ΣC∞v
184 HBr- hydrogen bromide anion 2ΣC∞v
185 HBr+ hydrogen bromide cation 2ΠC∞v
186 H2Cl+ dihydrogen monochloride cation 1A1C2v
187 H2Br+ protonated hydrogen bromide 2A1C2v
188 Ne Neon atom 1SKh
189 Ne Neon atom   
190 Ne+ Neon atom cation 2PKh
191 Ar Argon atom 1SKh
192 Kr Krypton atom 1SKh
193 Kr+ Krypton cation 2PKh
194 HeLi+ Helium Lithium cation   
195 NeH neon hydrogen 2ΣC∞v
196 ArH+ Argon hydride cation 1ΣC∞v
197 KrH+ Protonated Krypton 1ΣC∞v
198 H2Ar H2 Ar dimer 1ΣC∞v
199 Li2 Lithium diatomic 1ΣgD∞v
200 NaLi lithium sodium 1ΣC∞v
201 Na2 Sodium diatomic 1ΣgD∞h
202 Na2- sodium diatomic anion 2ΣuD∞h
203 Na2+ sodium diatomic cation 2ΣgD∞h
204 Be2 Beryllium diatomic 1ΣgD∞h
205 Be2 Beryllium diatomic 3ΠgD∞h
206 BeMg Beryllium Magnesium 1ΣC∞v
207 Mg2 Magnesium diatomic 1ΣgD∞h
208 Ca2 Calcium diatomic 1ΣGD∞h
209 LiB Lithium boride 3ΠC∞v
210 LiAl Lithium Aluminum   
211 NaAl Sodium aluminum 1ΣC∞v
212 BeB Beryllium monoboride 2ΠC∞v
213 B2 Boron diatomic 3ΣgD∞h
214 B2 Boron diatomic 1ΣgD∞h
215 B2 Boron diatomic 5ΣuD∞h
216 B2+ Boron diatomic cation 2ΠD∞h
217 BAl Boron Aluminum 3ΣC∞v
218 AlGa Aluminum Gallium 3ΣC∞v
219 AlGa Aluminum Gallium 1ΣC∞v
220 Ga2 Gallium diatomic 3Piu 
221 HBBH Diborane(2) 3ΣGD∞h
222 LiBH4 Lithium borohydride 1A1C3v
223 B2H4 Diborane(4) D2d 1A1D2d
224 HBHHBH Diborane(4) C2V 1A1C2v
225 B2H6 Diborane 1AgD2h
226 B2H6+ Diborane cation   
227 Al2H6 dialane 1AGD2h
228 Ga2H6 digallane 1AGD2h
229 LiC Lithium Carbide 4ΣC∞v
230 BeC Beryllium Carbide 3Σ-C∞v
231 BeC Beryllium Carbide   
232 CaC Calcium monocarbide   
233 BC boron monocarbide 4Σ-C∞v
234 AlC Aluminum carbide 4ΣC∞v
235 BSi Boron silicide 4ΣC∞v
236 BSi Boron silicide 2ΣC∞v
237 C2 Carbon diatomic 1Σg+D∞h
238 C2 Carbon diatomic 3Σg- 
239 C2+ carbon diatomic cation 4ΣgD∞h
240 SiC silicon monocarbide 3ΣC∞v
241 SiC silicon monocarbide 1ΣC∞v
242 GeC Germanium monocarbide 1ΣC∞v
243 SiGe Silicon Germanium   
244 C2H Ethynyl radical 2ΣC∞v
245 C2H- Ethynyl anion 1ΣC∞v
246 C2H2 Acetylene 1ΣgD∞h
247 C2H2+ acetylene cation 2ΠuD∞h
248 C2H2+ acetylene cation   
249 CCH2 vinylidene 3B2C2v
250 H2CC- vinylidene anion   
251 HCCH- acetylene anion   
252 HCCH- acetylene anion   
253 Si2H2 disilyne   
254 Si2H2 disilyne   
255 Si2H2 disilyne   
256 Si2H2 disilyne   
257 CH3Li methyl lithium 1A1C3v
258 CH2BH methyleneborane 1A1C2v
259 C2H3 vinyl 2A'Cs
260 C2H3- vinyl anion 1A'Cs
261 C2H3+ vinyl cation 1A1C2V bridging H
262 C2H3+ vinyl cation 1A1C2V HCCH2
263 C2H4 Ethylene 1AgD2h
264 C2H4+ Ethylene cation 2B3D2
265 Si2H4 Disilene   
266 Si2H4 Disilene   
267 Si2H4 Disilene   
268 CH3BH2 methylborane 1A'Cs
269 C2H5 Ethyl radical 2A'Cs
270 C2H5- Ethyl anion 1A'Cs
271 C2H6 Ethane 1A1gD3d
272 C2H6 Ethane 1A1'D3h
273 Si2H6 disilane 1EuD3d
274 LiN Lithium Nitride 3ΣC∞v
275 LiP Lithium monophosphide   
276 LiP Lithium monophosphide   
277 BeN Beryllium mononitride 4ΣC∞v
278 BeN Beryllium mononitride 2ΠC∞v
279 BeN+ Beryllium mononitride cation 3ΣC∞v
280 BeN+ Beryllium mononitride cation 1ΣC∞v
281 MgN Magnesium Nitride   
282 MgN Magnesium Nitride   
283 BP Boron monophosphide 3ΠC∞v
284 BP Boron monophosphide 1ΣC∞v
285 AlP Aluminum monophosphide 3ΣC∞v
286 AlP Aluminum monophosphide 3ΠC∞v
287 AlP Aluminum monophosphide 1ΣC∞v
288 GaN Gallium mononitride 3ΠC∞v
289 GaN Gallium mononitride 1ΣC∞v
290 GaP Gallium monophosphide 1ΣC∞v
291 GaAs Gallium arsenide 3Π 
292 GaAs Gallium arsenide 1Σ 
293 BN boron nitride 3ΠC∞v
294 BN boron nitride 1ΣC∞v
295 CN Cyano radical 2ΣC∞v
296 CN- cyanide anion 1ΣC∞v
297 SiP Silicon monophosphide 2ΠC∞v
298 N2 Nitrogen diatomic 1ΣgD∞h
299 N2 Nitrogen diatomic   
300 N2- nitrogen diatomic anion 2ΠgD∞h
301 N2+ diatomic nitrogen cation 2ΣgD∞h
302 PN Phosphorus mononitride 1ΣC∞v
303 P2 Phosphorus diatomic 1ΣgD∞h
304 AsN Arsenic mononitride 1ΣC∞v
305 AsP Arsenic monophosphide 1ΣC∞v
306 HCN Hydrogen cyanide 1ΣC∞v
307 HCN+ hydrogen cyanide cation 2ΠC∞v
308 HNC+ hydrogen isocyanide cation   
309 HCP+ Phosphaethyne cation   
310 NNH+ Dinitrogen monohydride cation 1ΣC∞v
311 LiNH2 lithium amide   
312 HBNH Boranimine 1ΣC∞v
313 CNH2 Aminomethylidyne radical 2B2C2v
314 H2CN Dihydrogen cyanide radical 2B2C2v
315 HCNH methyleneazane 2A'CS cis
316 HCNH methyleneazane 2A'CS trans
317 H2NN Isodiazene   
318 N2H2 (E)-diazene 1AgC2h
319 N2H2 (Z)-Diazene 1A1C2v
320 N2H2+ trans-diazene cation 2AGC2h
321 CH2NH Methanimine 1A'Cs
322 CH2NH+ Methanimine cation   
323 CHNH2 aminomethylene   
324 CHNH2+ Aminocarbene cation   
325 CH2PH Phosphaethene 1A'Cs
326 BH2NH2 Boranamine   
327 CH2NH2+ methyleneamine cation 1A1C2v
328 N2H4 Hydrazine 1AC2
329 N2H4+ hydrazine cation 2AGC2h
330 CH3NH2 methyl amine 1A'Cs
331 CH3NH2+ methyl amine cation 2A'Cs
332 SiH3NH2 Silane, amino   
333 N2H5+ protonated hydrazine 1A'Cs
334 BH3PH3 borane phosphine   
335 BH3NH3 borane ammonia 1A1C3v
336 CH3NH3 methyl ammonium radical 2A1C3v
337 CH3PH3+ methyl phosphine, protonated 1A1C3v
338 NH3NH3 Ammonia Dimer 1AgC2h
339 NH3NH3 Ammonia Dimer 1A'Cs
340 N2H7+ ammonia ammonium dimer   
341 LiO lithium oxide 2ΣC∞v
342 LiS Lithium monosulfide 2ΠC∞v
343 LiS+ Lithium sulfide cation 3ΣC∞v
344 NaO sodium monoxide 2ΣC∞v
345 NaS Sodium sulfide 2ΠC∞v
346 LiSe Lithium monoselenide   
347 BeO beryllium oxide 1ΣC∞v
348 BeO+ Beryllium monoxide cation 2ΠC∞v
349 CaO Calcium monoxide 1ΣC∞v
350 BO boron monoxide 2ΣC∞v
351 ScO Scandium monoxide 2ΣC∞v
352 GaO Gallium monoxide 2ΣC∞v
353 GaS Gallium monosulfide   
354 CO Carbon monoxide 1ΣC∞v
355 CO- carbon monoxide anion 2ΠC∞v
356 CO+ carbon monoxide cation 2ΣC∞v
357 SiO Silicon monoxide 1ΣC∞v
358 SiS silicon monosulfide 1ΣC∞v
359 TiO Titanium monoxide 3ΔC∞v
360 CSe Carbon monoselenide 1ΣC∞v
361 GeO Germanium monoxide 1ΣC∞v
362 GeO+ Germanium monoxide cation 2ΣC∞v
363 GeS Germanium monosulfide 1ΣC∞v
364 SiSe Silicon Monoselenide   
365 SiSe+ Silicon Monoselenide cation   
366 GeSe Germanium monoselenide   
367 NO Nitric oxide 2ΠC∞v
368 NO- nitric oxide anion 3ΣC∞v
369 NO+ nitric oxide cation 1ΣC∞v
370 NS Mononitrogen monosulfide 2ΠC∞v
371 NS- nitrogen sulfide anion 3ΣC∞v
372 PO Phosphorus monoxide 2ΠC∞v
373 PS phosphorus sulfide 2ΣC∞v
374 VO Vanadium monoxide 4Σ- 
375 NSe Nitrogen monoselenide 2ΠC∞v
376 AsS Arsenic monosulfide 2ΠC∞v
377 PSe Phosphorus monoselenide 2ΠC∞v
378 AsSe Arsenic monoselenide 2ΠC∞v
379 O2 Oxygen diatomic 3ΣgD∞h
380 O2 Oxygen diatomic 1ΔgD∞h
381 O2- oxygen diatomic anion 2ΠD∞h
382 O2-- dioxygen dianion   
383 O2+ diatomic oxygen cation 2ΠgD∞h
384 SO Sulfur monoxide 3ΣC∞v
385 SO Sulfur monoxide 1ΣC∞v
386 SO+ sulfur monoxide cation 2ΠC∞v
387 S2 Sulfur diatomic 3ΣgD∞h
388 SeO Selenium monoxide 3ΣC∞v
389 Se2 Selenium diatomic 3ΣgD∞h
390 LiOH lithium hydroxide 1ΣC∞v
391 BeOH beryllium monohydroxide 2A'Cs
392 BeOH beryllium monohydroxide 2ΣC∞v
393 HBO Boron hydride oxide 1ΣC∞v
394 HBS hydrogen boron sulfide 1ΣC∞v
395 COH Hydroxymethylidyne   
396 COH+ Carbon Monoxide, protonated 1ΣC∞v
397 HCO Formyl radical 2A'Cs
398 HCO- formyl anion 1A'Cs
399 HCO+ Formyl cation 1ΣC∞v
400 HNO Nitrosyl hydride 1A'Cs
401 HNO+ Nitrosyl hydride cation 2A'Cs
402 NOH Hydroxyimidogen 3A"Cs
403 NOH+ O-protonated nitric oxide 2A'Cs
404 HO2 Hydroperoxy radical 2A"Cs
405 HO2+ Hydroperoxy cation 3A"Cs
406 HSO+ Sulfur Monoxide, S-protonated   
407 SOH Sulfur Hydroxide   
408 SOH+ Sulfur Monoxide, protonated   
409 HS2 Thiosulfeno radical 2A"Cs
410 H2CO Formaldehyde 1A1C2v
411 H2CO- formaldehyde anion 2A'Cs
412 H2CO- formaldehyde anion   
413 H2CO+ formaldehyde cation 2B2C2v
414 HOCH hydroxycarbene 1A'CS trans
415 HOCH hydroxycarbene 1A'CS cis
416 H2CS Thioformaldehyde 1A1C2v
417 H2CS- thioformaldehyde anion   
418 H2CS- thioformaldehyde anion   
419 H2CS+ thioformaldehyde cation 2B2C2v
420 H2CSe Selenoformaldehyde   
421 H2NO nitroxide 2B1C2v
422 H2NO nitroxide 2A'Cs
423 H2O2 Hydrogen peroxide 1AC2
424 H2O2 Hydrogen peroxide 1AgC2h
425 H2O2+ Hydrogen peroxide cation 2BgC2h
426 H2O2+ Hydrogen peroxide cation 2A1C2v
427 H2OO water oxide   
428 HOSH hydrogen thioperoxide   
429 H2S2 Disulfane 1AC2
430 H2S2+ hydrogen disulfide cation 2BgC2h
431 H2Se2 hydrogen diselenide   
432 CH2OH Hydroxymethyl radical 2AC1
433 CH2OH+ hydroxymethyl cation 1A'Cs
434 CH3O- methoxy anion 1A1C3v
435 CH3O+ Methoxy cation 3A1C3v
436 H2CSH+ Thioformaldehyde, protonated 1A'Cs
437 NH2OH hydroxylamine 1A'Cs
438 NH2OH+ Hydroxylamine cation   
439 NH3O Ammonia Oxide 1A1C3v
440 H2POH Phosphinous acid 1A1'CS trans
441 H2POH Phosphinous acid 1A1'CS cis
442 H3PO Phosphine oxide 1A1C3v
443 NH2SH Thiohydroxylamine   
444 CH3OH Methyl alcohol 1A'Cs
445 CH3OH- Methyl alcohol anion 2A'Cs
446 CH3OH+ Methyl alcohol cation 2A"Cs
447 CH3SH Methanethiol 1A'Cs
448 CH3SH+ Methanethiol cation 2A"Cs
449 SiH3OH silanol   
450 NH2OH2+ protonated hydroxylamine   
451 NH3OH+ N-protonated hydroxylamine   
452 H2OH2O water dimer 1A'Cs
453 H5O2+ Dihydroxonium ion 1AC2
454 LiF lithium fluoride 1ΣC∞v
455 LiCl lithium chloride 1ΣC∞v
456 NaF sodium fluoride 1ΣC∞v
457 NaF+ sodium fluoride cation 2ΣC∞v
458 NaCl Sodium Chloride 1ΣC∞v
459 LiBr Lithium Bromide 1ΣC∞v
460 LiF+ lithium fluoride cation 2ΠC∞v
461 BeF- Beryllium monofluoride anion 1ΣC∞v
462 MgF+ magnesium fluoride cation 1ΣC∞v
463 ZnF Zinc monofluoride 2ΣC∞v
464 CaBr Calcium monobromide   
465 BF Boron monofluoride 1ΣC∞v
466 AlF Aluminum monofluoride 1Σ+C∞v
467 AlCl Aluminum monochloride 1ΣC∞v
468 ScF Scandium monofluoride 1ΣC∞v
469 BBr Boron monobromide 1ΣC∞v
470 GaF Gallium monofluoride 1ΣC∞v
471 GaF+ Gallium monofluoride cation 2ΣC∞v
472 AlBr Aluminum monobromide   
473 GaCl Gallium monochloride 1ΣGC∞v
474 GaCl+ Gallium monochloride cation 2ΣC∞v
475 GaBr Gallium monobromide   
476 CF Fluoromethylidyne 2ΠC∞v
477 SiF silicon monofluoride 2ΠC∞v
478 SiF- silicon monofluoride anion 3ΣC∞v
479 SiF+ silicon monofluoride cation 1ΣC∞v
480 SiCl Clorosilylidyne 2ΠC∞v
481 CBr Carbon monobromide 2ΠC∞v
482 GeF Germanium monofluoride 2ΠC∞v
483 GeF+ Germanium monofluoride cation 1ΣC∞v
484 GeCl Germanium monochloride 2ΠC∞v
485 GeCl+ Germanium monochloride cation   
486 SiBr Silicon monobromide 2ΠC∞v
487 SiBr+ Silicon monobromide cation   
488 NCl nitrogen monochloride 3ΣC∞v
489 AsF Arsenic monofluoride 3ΣC∞v
490 AsF Arsenic monofluoride 1ΔC∞v
491 NBr nitrogen monobromide 3Σ-C∞v
492 AsCl Arsenic monochloride 3ΣC∞v
493 PBr Phosphorus monobromide   
494 FO Oxygen monofluoride 2ΠC∞v
495 ClO Monochlorine monoxide 2ΠC∞v
496 ClO+ chlorine monoxide cation 3ΣC∞v
497 SF Monosulfur monofluoride 2ΠC∞v
498 SF+ sulfur monofluoride cation 3ΣC∞v
499 SCl sulfur monochloride 2ΠC∞v
500 SCl+ sulfur monochloride cation 3ΣgC∞v
501 BrO Bromine monoxide 2ΠC∞v
502 BrO- Bromine monoxide anion 1ΣC∞v
503 BrO+ Bromine monoxide cation   
504 SeF Selenium monofluoride 2ΠC∞v
505 SBr Sulfur monobromide radical   
506 SBr+ Sulfur monobromide cation   
507 SeCl Selenium monochloride 2ΠC∞v
508 SeBr Selenium monobromide   
509 BrCl Bromine monochloride 1ΣC∞v
510 F2 Fluorine diatomic 1ΣgD∞h
511 F2- flourine diatomic anion 2ΣuD∞h
512 F2+ flourine diatomic cation 2ΠgD∞h
513 ClF Chlorine monofluoride 1Σ+C∞v
514 ClF+ clorine monofluoride cation 2ΠC∞v
515 Cl2 Chlorine diatomic 1ΣgD∞h
516 Cl2- chlorine diatomic anion 2ΣuD∞h
517 Cl2+ chlorine diatomic cation 2ΠgD∞h
518 BrF Bromine monofluoride 1ΣC∞v
519 Br2 Bromine diatomic 1ΣgD∞h
520 Br2- bromine diatomic anion 2ΣuD∞h
521 Br2+ bromine diatomic cation 2ΠgD∞h
522 HCF Fluoromethylene 1A'Cs
523 HCF Fluoromethylene 3A"Cs
524 HCCl Chloromethylene 1A'Cs
525 HCCl Chloromethylene 3A"Cs
526 HSiF fluorosilylene   
527 HSiCl Chlorosilylene   
528 HSiBr monobromosilylene   
529 HOF Hypofluorous acid 1A'Cs
530 HOCl hypochlorous acid 1A'Cs
531 HOCl+ hypochlorous acid cation   
532 HOBr Hypobromous acid 1A'Cs
533 HOBr+ Hypobromous acid cation 2A"Cs
534 F2H+ Fluorine, protonated 1A'Cs
535 ClFH+ Chlorine fluoride, F-protonated   
536 FClH+ Chlorine fluoride, Cl-protonated   
537 Cl2H+ Chlorine, protonated 1A'Cs
538 CH2Br bromomethyl radical   
539 CH2F fluoromethyl radical 2ACs
540 CH2F+ fluoromethyl cation   
541 CH2Cl+ chloromethyl cation   
542 CH2Cl chloromethyl radical 2A'Cs
543 CH2Cl chloromethyl radical 2B1C2v
544 NH2Cl chloramine 1A'Cs
545 CH3F+ methyl fluoride cation   
546 CD3F methylfluoride-d3 1A1C3v
547 CH3F Methyl fluoride 1A1C3v
548 CD3Cl methyl chloride d3 1A1C3v
549 CH3Cl Methyl chloride 1A1C3v
550 CH3Cl+ Methyl chloride cation   
551 SiH3F monofluorosilane 1A1C3v
552 SiH3Cl chlorosilane 1A1C1
553 CH3Br methyl bromide 1A1C3v
554 GeH3F monofluorogermane   
555 GeH3Cl monochlorogermane   
556 NH3Cl+ protonated monochloroammonia   
557 CH3ClH+ methyl chloride, protonated   
558 NH4Cl Ammonium chloride   
559 LiNe+ Lithium Neon cation   
560 Ne2+ Neon diatomic cation 2ΣuD∞h
561 Ar2 Argon diatomic 1SgD∞h
562 Ar2+ Argon diatomic cation 2ΣuD∞h
563 Li3 Lithium trimer 2B2C2v
564 Li3+ Lithium trimer cation 1A1'D3h
565 C3 carbon trimer 1ΣgD∞h
566 C3 carbon trimer 1A1C2v
567 SiC2 Silicon dicarbide   
568 C3H4 cyclopropene 1A1C2v
569 CH2CCH2 allene 1A1D2d
570 CH3CCH propyne 1A'C3v
571 C3H5 Allyl radical 2A2C2v
572 CH2CHCH3 Propene 1A'Cs
573 C3H7 n-Propyl radical 2A"C1
574 C3H7+ cyclopropane, protonated   
575 CH3CHCH3 Isopropyl radical 2AC2
576 CH3CHCH3+ Isopropyl cation 1AC2
577 C3H8 Propane 1A1C2v
578 Si3H8 trisilane   
579 LiCN lithium cyanide 1ΣC*V LiCN
580 LiCN lithium cyanide 1A'Cs
581 LiCN lithium cyanide 1ΣC*V LiNC
582 NaCN Sodium Cyanide 1ΣC∞v
583 NaCN Sodium Cyanide 1ACs
584 NaCN Sodium Cyanide 1ΣC∞v
585 ZnCN Zinc monocyanide 2ΣC∞v
586 ZnNC Zinc isocyanide 2ΣC∞v
587 AlCN Aluminum monocyanide   
588 AlNC Aluminum isocyanide   
589 CN2 3H-Diazirin-3-ylidene 1A1C2v
590 CNN Diazocarbene   
591 NCN Cyanoimidogen 3ΣgD∞h
592 NCN Cyanoimidogen 1ΣgD∞h
593 N3 azide radical 2ΠgD∞h
594 N3+ azide cation 3ΣgD∞h
595 N3+ azide cation 3ΣC∞v
596 HN3 hydrogen azide 1A'Cs
597 HN3+ Hydrazoic acid cation   
598 HNCNH diiminomethane 1AC2
599 HNNNH+ 1,2-Triazadienium   
600 NH2NN+ hydrazoic acid, protonated   
601 CH3CN Acetonitrile 1A1C3v
602 HCNCH2+ 2H-Azirine cation   
603 HNCNH2+ diiminomethane, protonated 1A'Cs
604 NH2CNH+ cyanamide, cn protonated   
605 NH3CN+ cyanamide, amine protonated   
606 C2H6N+ aziridine, protonated 1A1C2v
607 CH3CH2NH2 Ethylamine   
608 Li2O dilithium oxide 1ΣgD∞h
609 Li2S dilithium sulfide 1ΣGD∞h
610 Li2S dilithium sulfide 1A1C2v
611 Na2O disodium monoxide 1ΣgLinear
612 Na2O disodium monoxide 1A1C2v
613 Na2S Sodium sulfide   
614 Na2S Sodium sulfide   
615 LiO2 Lithium dioxide   
616 NaO2 Sodium superoxide   
617 CCO Dicarbon monoxide 3ΣC∞v
618 CCO Dicarbon monoxide 1ΠC∞v
619 NCO isocyanato radical 2ΠC∞v
620 N2O Nitrous oxide 1ΣC∞v
621 N2O- Nitrous oxide anion 2A'Cs
622 NNS Nitrogen sulfide 1ΣC∞v
623 CO2 Carbon dioxide 1ΣgD∞h
624 CO2+ Carbon dioxide cation 2ΠC∞v
625 OCS Carbonyl sulfide 1ΣC∞v
626 CS2 Carbon disulfide 1ΣgD∞h
627 CS2- Carbon disulfide anion 2A1C2v
628 TiO2 Titanium dioxide 1A1C2v
629 GeO2 Germanium dioxide 1ΣgD∞h
630 OCSe Carbonyl selenide 1ΣC∞v
631 SCSe Carbon sulfide selenide   
632 GeS2 Germanium disulfide 1ΣGD∞h
633 NO2 Nitrogen dioxide 2A1C2v
634 NO2+ Nitrogen dioxide cation 1ΣGD∞h
635 NSO sulfinyl amidogen   
636 SNO Nitrogen oxide sulfide   
637 O3 Ozone 1A1Cs
638 SO2 Sulfur dioxide 1A1C2v
639 SSO Disulfur monoxide 1A'Cs
640 S3 Sulfur trimer 1A1C2v
641 S3 Sulfur trimer   
642 S3+ Sulfur trimer cation 2B2C2v
643 SeO2 Selenium dioxide 1A1C2v
644 SeO2+ Selenium dioxide cation 2A1C2v
645 HCCO ketenyl radical 2ΠC∞v
646 HCCO ketenyl radical 2A"Cs
647 HCNO fulminic acid 1ΣC∞v
648 HCOO formate neutral radical 2A'Cs
649 HOCO Hydrocarboxyl radical 1A'cis
650 HOCO Hydrocarboxyl radical 1A'trans
651 O3H+ protonated ozone 1A'Cs
652 O3H+ protonated ozone   
653 C2H2O Oxirene 1A1C2v
654 CH2CO Ketene 1A1C2v
655 CH2CS Thioketene   
656 Be(OH)2 Beryllium hydroxide   
657 NH2NO Nitrosamide 1AC1
658 H2COO Dioxymethyl radical 2A'Cs
659 H2COO+ dioxymethyl cation 2A'Cs
660 HCOOH Formic acid 1A'Cs
661 HCOOH Formic acid   
662 H2O3 Hydrogen trioxide 1AC2
663 CH2BOH hydroxy(methylene)borane 1A'Cs
664 BH3CO Borane carbonyl 1A1C3v
665 CH3BO Borane, methyloxo- 1A1C3v
666 CH2COH+ ketene, protonated   
667 CHONH2 formamide 1A'Planar
668 CHONH2 formamide 1ANon-Planar
669 CNOH3 1,2-oxaziridine 1AC1
670 HOCHNH hydroxymethylimine 1A'CS H all up
671 HOCHNH hydroxymethylimine 1A'CS OH down
672 NHCHSH Methanimidothioic acid   
673 C2H4O Ethylene oxide 1A1C2v
674 C2H4O+ ethylene oxide cation   
675 CH3CHO Acetaldehyde 1A'Cs
676 CH3CHO+ acetaldehyde cation   
677 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
678 C2H4S Thiirane 1A1C2v
679 CH2CHSH Ethenethiol   
680 H2CONH2+ protonated formamide 1A'Cs
681 NH2CHOH+ Formamide, O-protonated   
682 CH3SSH Hydrogen methyl disulfide   
683 HSCH2SH Methanedithiol   
684 C2H4OH+ ethylene oxide, protonated 1A'Cs
685 CH3CH2SH ethanethiol 1A'Cs
686 CH3SCH3 Dimethyl sulfide 1A1C2v
687 CH3SCH3+ dimethyl sulfide cation   
688 CNF iso cyanogen fluoride 1ΣC∞v
689 BrCN Cyanogen bromide 1ΣC∞v
690 FBO Boron monofluoride monoxide   
691 MgF2 Magnesium fluoride 1ΣgD∞h
692 BeBr2 Beryllium bromide   
693 FCO Carbonyl fluoride 2A'Cs
694 FCO+ Carbonyl fluoride cation 1ΣC∞v
695 ClCO carbonyl monochloride 2A'Cs
696 BF2 Boron difluoride radical 2A1C2v
697 FNO Nitrosyl fluoride 1A'Cs
698 ClNO Nitrosyl chloride 1A'Cs
699 FNS Thionitrosyl fluoride 1A'Cs
700 FSN Thiazyl fluoride 1A'Cs
701 OPCl Phosphorus oxychloride   
702 CF2 Difluoromethylene 1A1D∞h
703 CFCl chlorofluoromethylene 1A'Cs
704 SiF2 Silicon difluoride 1A1C2v
705 GeF2 Germanium difluoride 1A1C2v
706 GeCl2 Germanium dichloride 1A1C2v
707 FOO+ Fluorine dioxide cation   
708 OClO Chlorine dioxide 2B1D∞h
709 OClO- Chlorine dioxide anion 1A'Cs
710 ClSO Sulfur chloride oxide 2A"Cs
711 BrOO Bromine dioxide   
712 PF2 Phosphorus difluoride   
713 PF2+ Phosphorus difluoride cation   
714 FClO chlorosyl fluoride 1A'Cs
715 ClOF Chlorine hypofluorite 1A'Cs
716 SF2 sulfur difluoride 1A1C2v
717 SF2- sulfur difluoride anion 2A'Cs
718 SF2- sulfur difluoride anion 2ΠD∞h
719 SCl2 Sulfur dichloride 1A1C2v
720 SeF2 Selenium difluoride   
721 SeCl2 Selenium Dichloride   
722 SBr2 Sulfur dibromide   
723 SeBr2 Selenium dibromide   
724 Br3- tribromide anion   
725 SFCl Sulfur chloride fluoride   
726 HCCF Fluoroacetylene 1ΣC∞v
727 HFCO+ formyl fluoride cation 2A'Cs
728 CHF2 difluoromethyl radical 2ACs
729 CHF2+ difluoromethyl cation   
730 CHFCl Chlorofluoromethyl radical   
731 CHFCl+ Chlorofluoromethyl cation   
732 CHCl2+ dichloromethyl cation   
733 NHF2 difluoramine   
734 NHCl2 dichloroamine   
735 CH2F2 Methane, difluoro- 1A1C2v
736 SiH2F2 difluorosilane   
737 CH2Cl2 Methylene chloride 1A1C2v
738 CH2BrCl Methane, bromochloro- 1A'Cs
739 CH2Br2 dibromomethane 1A1C2v
740 CH3MgBr Methyl Magnesium Bromide   
741 CH2CHF Ethene, fluoro- 1A'Cs
742 CH2FOH fluoromethanol   
743 KrF2 Krypton difluoride 1ΣGD∞h
744 C4 Carbon tetramer 3ΣgD∞h
745 C4 Carbon tetramer   
746 C4H4 cyclobutadiene 1AgD2h
747 C4H4 Tetrahedrane   
748 CH3CH2CH2CH3 Butane 1AgAnti
749 Li3N trilithium nitride 1A'D3h
750 C2N2 Cyanogen 1ΣgD∞h
751 As4 Arsenic tetramer 1A1Td
752 HCCCN+ Cyanoacetylene cation 2ΠC∞v
753 H2CNCN cyanamide, methylene   
754 HNCCNH Ethenediimine   
755 CH7N3 triaminomethane   
756 N(SiH3)3 trisilylamine   
757 Na2O2 disodium dioxide   
758 C3O Tricarbon monoxide 1ΣC∞v
759 ONNO NO dimer 1Agtrans C2H
760 ONNO NO dimer 1A1cis C2V
761 S2N2 Disulfur dinitride 1AGD2h
762 NO3- nitrate anion 1A1'D3h
763 SO3 Sulfur trioxide 1A1'D3h
764 SO3-- Sulfate dianion   
765 S4 Sulfur tetramer   
766 S4 Sulfur tetramer   
767 S4 Sulfur tetramer   
768 HNO3 Nitric acid 1A'Cs
769 C3H2O Propadienal   
770 C3H2O Propadienal   
771 C2H2O2 Ethanedial 1AgC2h
772 C2H3NO Nitrosoethylene   
773 CH3NO2 Methane, nitro- 1A'Cs
774 H3AlO3 Aluminum hydroxide   
775 CH2CHCHO Acrolein 1A'Cs
776 CH2CHCHO Acrolein   
777 NH2CONH2 Urea 1A1C2v
778 CH3COCH2 Acetonyl radical 2A"Cs
779 CH3CH2CHO Propanal 1A'Cs
780 Li2F2 Lithium fluoride dimer   
781 CF2O Carbonic difluoride 1A1C2v
782 CF2O+ Carbonic difluoride cation   
783 Cl2CS Thiophosgene 1A1C2v
784 BF3 Borane, trifluoro- 1A'D3h
785 BF3+ boron trifluoride cation   
786 AlF3 Aluminum trifluoride 1A1'D3h
787 BCl3 Borane, trichloro- 1A1'D3h
788 BCl3+ Boron Trichloride cation   
789 GaF3 Gallium trifluoride 1A1'D3h
790 GaCl3 Gallium trichloride 1A1'D3h
791 CF2Cl difluorochloromethyl radical   
792 CFCl2 dichlorofluoromethyl radical   
793 ClO2F Chloryl fluoride 1A'Cs
794 SSCl2 Thiothionyl chloride   
795 NF3 Nitrogen trifluoride 1A1C3v
796 NCl3 nitrogen trichloride 1A1C3v
797 NBr3 Nitrogen Tribromide 1A1C3v
798 SF3 Sulfur trifluoride 2A'Cs
799 HClO3 Chloric Acid 1A'Cs
800 HClO3 Chloric Acid 1AC1
801 CHF3 Methane, trifluoro- 1A1C3v
802 SiHF3 trifluorosilane   
803 CHBrF2 Methane, bromodifluoro- 1A'Cs
804 CHBrCl2 Methane, bromodichloro- 1A'Cs
805 AsF3H+ Arsenic trifluoride, protonated   
806 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
807 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
808 C2H4F2 1,2-difluoroethane 1AgC2H anti
809 C2H4F2 1,2-difluoroethane 1AC2 gauche
810 CH2CHCH2F Allyl Fluoride   
811 CH2CHCH2F Allyl Fluoride   
812 CH3CHCHF trans-1-Fluoro-1-propene   
813 CH3CHFCH3 2-Fluoropropane 1A'Cs
814 C3O2 Carbon suboxide 1ΣGD∞h
815 B2O3 diboron trioxide   
816 B2O3 diboron trioxide   
817 C3H3NO Isoxazole 1A'Cs
818 CF3Cl Methane, chlorotrifluoro- 1A1C3v
819 CF2Cl2 difluorodichloromethane 1A1C2v
820 SF4 Sulfur tetrafluoride 1A1C2v
821 CH2ClCCCl 1,3-dichloropropyne   
822 CHCl2CCH 3,3-dichloropropyne   
823 C2H2N2O Furazan   
824 N2O4 Dinitrogen tetroxide 1AgD2d
825 C3H2O3 vinylene carbonate   
826 C4H6O2 γ–Butyrolactone 1AC1
827 C3H6O3 1,3,5-Trioxane 1A1C1
828 PF5 Phosphorus pentafluoride 1A1'D3h
829 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
830 C6H12O Oxepane   
831 SF6 Sulfur Hexafluoride 1A1GOh
832 C6H5CHO benzaldehyde 1A'Cs
833 B12H12-- Dodecahydrododecaborate(2-)   

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 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 He2+ helium diatomic cation he2+  
11 Li+ Lithium atom cation li+  
12 Na- Sodium atom anion na-  
13 Na+ Sodium atom cation na+  
14 K Potassium atom k  
15 K- Potassium atom anion k-  
16 K+ Potassium atom cation k+  
17 Cu Copper atom cu  
18 Cu- Copper atom anion cu-  
19 Cu+ Copper atom cation cu+  
20 LiH- lithium hydride anion lih-  
21 NaH- sodium hydride anion nah-  
22 KH Potassium hydride kh  
23 KH+ Potassium hydrogen cation kh+  
24 CuH Copper monohydride cuh  
25 Be- Beryllium atom anion be-  
26 Mg- Magnesium atom anion mg-  
27 Ca Calcium atom ca  
28 Ca- Calcium atom anion ca-  
29 Ca+ Calcium atom cation ca+  
30 Zn Zinc atom zn  
31 Zn- Zinc atom anion zn-  
32 Zn+ Zinc atom cation zn+  
33 BeH- berylium monohydride anion beh-  
34 BeH+ beryllium monohydride cation beh+  
35 MgH- magnesium monohydride anion mgh-  
36 MgH+ magnesium monohydride cation mgh+  
37 ZnH Zinc monohydride znh  
38 CaH2 Calcium Hydride cah2  
39 ZnH2 Zinc hydride znh2  
40 B- Boron atom anion b-  
41 BH- boron monohydride anion bh-  
42 BH+ boron monohydride cation bh+  
43 AlH aluminum monohydride alh  
44 AlH- aluminum monohydride anion alh-  
45 AlH+ aluminum monohydride cation alh+  
46 ScH+ Scandium monohydride cation sch+  
47 BH2 boron dihydride bh2  
48 AlH2 aluminum dihydride alh2  
49 AlH2- aluminum dihydride anion alh2-  
50 AlH2+ aluminum dihydride cation alh2+  
51 BH3- boron trihydride anion bh3-  
52 AlH3+ aluminum trihydride cation alh3+  
53 AlH4- Aluminum tetrahydride anion alh4-  
54 C- Carbon atom anion c-  
55 Ti Titanium atom ti  
56 Ti- Titanium atom anion ti-  
57 Ti+ Titanium atom cation ti+  
58 Sn Tin atom sn  
59 Sn+ Tin cation sn+  
60 CH- methylidyne anion ch-  
61 CH+ Methylidyne cation ch+  
62 SiH2- silicon dihydride anion sih2-  
63 SiH2+ silicon dihydride cation sih2+  
64 SiH3- Silyl anion sih3-  
65 CH4+ Methane cation ch4+  
66 SiH4+ Silane cation sih4+  
67 SnH4 Stannane snh4  
68 N- Nitrogen atom anion n-  
69 P- Phosphorus atom anion p-  
70 P+ Phosphorus atom cation p+  
71 Sb Antimony atom sb  
72 NH Imidogen nh  
73 NH- Imidogen anion nh-  
74 NH+ imidogen cation nh+  
75 PH- phosphorus monohydride anion ph-  
76 PH+ phosphorus monohydride cation ph+  
77 SbH Antimony monohydride sbh  
78 ND2 Amidogen-d2 nd2  
79 NH2- amino anion nh2-  
80 PH2 Phosphino radical ph2  
81 PH2- Phosphino anion ph2-  
82 PH2+ Phosphino cation ph2+  
83 AsH2 Arsenic dihydride ash2  
84 ND3 Ammonia-d3 nd3  
85 AsH3 Arsine ash3  
86 SbH3 Stibine sbh3  
87 O- Oxygen atom anion o-  
88 Cr Chromium atom cr  
89 Te Tellurium atom te  
90 Te+ Tellurium atom cation te+  
91 DO Hydroxyl-d od  
92 DS Mercapto-d ds  
93 TeH Telluryl radical teh  
94 D2O Deuterium oxide d2o  
95 D2S Hydrogen sulfide-d2 d2s  
96 H2Te Hydrogen Telluride h2te  
97 Mn Manganese atom mn  
98 I Iodine atom iodine  
99 I- Iodine atom anion iodine-  
100 I+ Iodine atom cation iodine+  
101 DF Hydrofluoric acid-d df  
102 DCl Hydrochloric acid-d dcl  
103 HI Hydrogen iodide hi  
104 HI+ Hydrogen iodide cation hi+  
105 H2F+ dihydrogen fluoride cation h2f+  
106 H2I+ Iodonium h2i+  
107 Ne- Neon atom anion ne-  
108 Ar- Argon atom anion ar-  
109 Ar+ Argon atom cation ar+  
110 Fe Iron atom fe  
111 Xe Xenon atom xe  
112 NeH+ neon hydrogen cation neh+  
113 XeH+ Xenon, protonated xeh+  
114 Co Cobalt atom cobalt  
115 Ni Nickel atom ni  
116 Li2- lithium diatomic anion li2-  
117 NaLi- lithium sodium anion lina-  
118 NaLi+ lithium sodium cation lina+  
119 LiK Lithium Potassium lik  
120 NaK Sodium Potassium nak  
121 NaK+ Sodium Potassium diatomic cation nak+  
122 K2 Potassium diatomic k2  
123 Cu2 Copper diatomic cu2  
124 LiBe Lithium Beryllium libe  
125 LiMg Lithium magnesium limg  
126 NaBe Sodium Beryllium nabe  
127 NaMg Sodium Magnesium namg  
128 Be2- Beryllium diatomic anion be2-  
129 Be2+ Beryllium diatomic cation be2+  
130 Mg2- magnesium diatomic anion mg2-  
131 Mg2+ magnesium diatomic cation mg2+  
132 B2- Boron diatomic anion b2-  
133 Al2 Aluminum diatomic al2  
134 Al2- aluminum diatomic anion al2-  
135 Al2+ aluminum diatomic cation al2+  
136 BGa Boron Gallium bga  
137 BC- boron monocarbide anion bc-  
138 BC+ boron monocarbide cation bc+  
139 C2- carbon diatomic anion c2-  
140 SiC- silicon monocarbide anion sic-  
141 SiC+ silicon monocarbide cation sic+  
142 Si2 Silicon diatomic si2  
143 Si2- silcon diatomic anion si2-  
144 Si2+ silcon diatomic cation si2+  
145 Ge2 Germanium diatomic ge2  
146 C2H+ Ethynyl cation c2h+  
147 ZnCH2 Zinc methylene znch2  
148 CCH2 vinylidene vinylidene  
149 CuCH3 monomethyl copper cuch3  
150 ZnCH3 Zinc monomethyl znch3  
151 C2H4- Ethylene anion c2h4-  
152 CH3CH methylmethylene ch3ch  
153 CH2SiH2 silaethylene ch2sih2  
154 C2H5+ Ethyl cation c2h5+  
155 C2H6+ ethane cation c2h6+  
156 CH3SiH3 methyl silane ch3sih3  
157 GeH3CH3 methyl germane geh3ch3  
158 C2H7+ Ethane, protonated c2h7+  
159 LiN+ Lithium Nitride cation lin+  
160 BeN- Beryllium mononitride anion ben-  
161 BN- boron nitride anion bn-  
162 AlN- aluminum mononitride anion aln-  
163 AlN+ aluminum mononitride cation aln+  
164 GaP Gallium monophosphide gap  
165 BN+ boron nitride cation bn+  
166 AlN Aluminum nitride aln  
167 CN+ Cyano cation cn+  
168 CP Carbon monophosphide cp  
169 CP- carbon monophosphide anion cp-  
170 CP+ carbon monophosphide cation cp+  
171 SiN Silicon nitride sin  
172 SiN- silicon mononitride anion sin-  
173 SiN+ silicon mononitride cation sin+  
174 SiP- Silicon monophosphide anion sip-  
175 SiP+ Silicon monophosphide cation sip+  
176 TiN Titanium mononitride tin  
177 PN- phosphorus nitride anion pn-  
178 PN+ phosphorus nitride cation pn+  
179 P2- phosphorus diatomic anion p2-  
180 P2+ phosphorus diatomic cation p2+  
181 SbN Antimony nitride sbn  
182 As2 Arsenic diatomic as2  
183 HNB hydrogen nitrogen boron hnb  
184 HNC hydrogen isocyanide hnc  
185 HCN- Hydrogen cyanide anion hcn-  
186 HCP Phosphaethyne hcp  
187 NNH Dinitrogen monohydride nnh  
188 HPO Hydrogen phosphorus oxide hpo  
189 HPO+ Hydrogen phosphorus oxide cation hpo+  
190 CNH2+ N-protonated hydrogen isocyanide cnh2+  
191 H2CN+ hydrocyanonium cation h2cn+  
192 HCNH+ N-protonated HCN hcnh+  
193 P2H4 Diphosphine p2h4  
194 CH3PH2 Methyl phosphine ch3ph2  
195 CH3NH3+ protonated methylamine ch3nh3+  
196 LiO- lithium oxide anion lio-  
197 LiO+ lithium oxide cation lio+  
198 NaO- sodium oxide anion nao-  
199 NaO+ sodium oxide cation nao+  
200 KO Potassium monoxide ko  
201 KO+ Potassium monoxide cation ko+  
202 CuO Copper Monoxide cuo  
203 BeO- Beryllium monoxide anion beo-  
204 BeS beryllium sulfide bes  
205 MgO magnesium oxide mgo  
206 MgO- magnesium oxide anion mgo-  
207 MgO+ magnesium oxide cation mgo+  
208 MgS magnesium sulfide mgs  
209 MgS- magnesium sulfide anion mgs-  
210 MgS+ magnesium sulfide cation mgs+  
211 CaS Calcium sulfide cas  
212 ZnO zinc monoxide zno  
213 ZnS Zinc sulfide zns  
214 BeS- Beryllium monosulfide anion bes-  
215 BeS+ Beryllium monosulfide cation bes+  
216 BO- boron monoxide anion bo-  
217 AlO Aluminum monoxide alo  
218 AlO- Aluminum monoxide anion alo-  
219 AlO+ aluminum monoxide cation alo+  
220 BS boron sulfide bs  
221 BS- boron monosulfide anion bs-  
222 BS+ boron monosulfide cation bs+  
223 AlS Aluminum sulfide als  
224 AlS- aluminum monosulfide anion als-  
225 AlS+ aluminum monosulfide cation als+  
226 BO+ boron monoxide cation bo+  
227 CS carbon monosulfide cs  
228 CS- carbon monosulfide anion cs-  
229 CS+ carbon monosulfide cation cs+  
230 SiO- silicon monoxide anion sio-  
231 SiO+ silicon monoxide cation sio+  
232 SiS- silicon monosulfide anion sis-  
233 SiS+ silicon monosulfide cation sis+  
234 CSe- Carbon monoselenide anion cse-  
235 CSe+ Carbon monoselenide cation cse+  
236 NS+ nitrogen sulfide cation ns+  
237 PO- phosphorus monoxide anion po-  
238 PO+ phosphorus monoxide cation po+  
239 PS- phosphorus monosulfide anion ps-  
240 PS+ phosphorus monosulfide cation ps+  
241 AsO Arsenic monoxide aso  
242 SO- sulfur monoxide anion so-  
243 S2- sulfur diatomic anion s2-  
244 S2+ sulfur diatomic cation s2+  
245 SeO- selenium monoxide anion seo-  
246 SeO+ selenium monoxide cation seo+  
247 SeS Selenium monosulfide ses  
248 SeS- selenium monosulfide anion ses-  
249 SeS+ selenium monosulfide cation ses+  
250 TeO Tellurium monoxide teo  
251 Se2- selenium diatomic anion se2-  
252 Se2+ selenium diatomic cation se2+  
253 Te2 Tellurium diatomic te2  
254 NaOH sodium hydroxide naoh  
255 KOH Potassium hydroxide koh  
256 MgOH magnesium hydroxide mgoh  
257 CaOH Calcium monohydroxide caoh  
258 HCS Thioformyl radical hcs  
259 HCS- Thioformyl anion hcs-  
260 HCS+ Thioformyl cation hcs+  
261 HNO- Nitrosyl hydride anion hno-  
262 HNS Sulfur imide hns  
263 HNS- Sulfur imide anion hns-  
264 HO2- Hydroperoxy anion ho2-  
265 CH3O Methoxy radical ch3o  
266 CH3S thiomethoxy ch3s  
267 NH3S sulfidoazane nh3s  
268 H3O2+ hydrogen peroxide, protonated h3o2+  
269 CH3SeH Methane selenol ch3seh  
270 CH3OH2+ Methanol, protonated ch3oh2+  
271 CH3SH2+ protonated methylsulfide ch3sh2+  
272 H2ONH3 Water Ammonia Dimer h2onh3  
273 LiCl- lithium chloride anion licl-  
274 LiCl+ lithium chloride cation licl+  
275 NaF- sodium fluoride anion naf-  
276 KF Potassium Fluoride kf  
277 NaCl- sodium chloride anion nacl-  
278 NaCl+ sodium chloride cation nacl+  
279 KCl Potassium Chloride kcl  
280 CuF Copper monofluoride cuf  
281 LiBr- lithium bromide anion libr-  
282 LiBr+ lithium bromide cation libr+  
283 CuCl Copper monochloride cucl  
284 NaBr Sodium Bromide nabr  
285 NaBr- sodium bromide anion nabr-  
286 NaBr+ sodium bromide cation nabr+  
287 KBr Potassium Bromide kbr  
288 LiI Lithium Iodide lii  
289 NaI Sodium Iodide nai  
290 KI Potassium Iodide ki  
291 LiF- lithium fluoride anion lif-  
292 BeF Beryllium monofluoride bef  
293 BeF+ Beryllium monofluoride cation bef+  
294 BeCl beryllium monochloride becl  
295 MgF Magnesium monofluoride mgf  
296 MgF- magnesium fluoride anion mgf-  
297 CaF Calcium monofluoride caf  
298 MgCl magnesium monochloride mgcl  
299 MgCl- magnesium monochloride anion mgcl-  
300 MgCl+ magnesium monochloride cation mgcl+  
301 CaCl calcium monochloride cacl  
302 TiCl Titanium Monochloride ticl  
303 ZnF- Zinc monofluoride anion znf-  
304 ZnF+ Zinc monofluoride cation znf+  
305 ZnCl Zinc monochloride zncl  
306 BeCl- beryllium monochloride anion becl-  
307 BeCl+ beryllium monochloride cation becl+  
308 BF- Boron monofluoride anion bf-  
309 BF+ Boron monofluoride cation bf+  
310 AlF- Aluminum monofluoride anion alf-  
311 AlF+ Aluminum monofluoride cation alf+  
312 BCl boron monochloride bcl  
313 BCl- boron monochloride anion bcl-  
314 BCl+ boron monochloride cation bcl+  
315 AlCl- aluminum monochloride anion alcl-  
316 AlCl+ aluminum monochloride cation alcl+  
317 AlI Aluminum monoiodide ali  
318 CF- carbon monofluoride anion cf-  
319 CF+ carbon monofluoride cation cf+  
320 CCl carbon monochloride ccl  
321 CCl- carbon monochloride anion ccl-  
322 CCl+ carbon monochloride cation ccl+  
323 SiCl- silicon monochloride anion sicl-  
324 SiCl+ silicon monochloride cation sicl+  
325 NF nitrogen fluoride nf  
326 NF- nitrogen monofluorine anion nf-  
327 NF+ nitrogen monofluoirde cation nf+  
328 NCl- nitrogen monochloride anion ncl-  
329 NCl+ nitrogen monochloride cation ncl+  
330 PF phosphorus monofluoride pf  
331 PF- phosphorus monofluoride anion pf-  
332 PF+ phosphorus monofluoride cation pf+  
333 PCl phosphorus chloride pcl  
334 PCl- phosphorus monochloride anion pcl-  
335 PCl+ phosphorus monochloride cation pcl+  
336 SbF Antimony monofluoride sbf  
337 SbCl Antimony monochloride sbcl  
338 FO- flourine oxide anion fo-  
339 FO+ fluorine monoxide cation fo+  
340 ClO- chlorine monoxide anion clo-  
341 SF- sulfur monofluoride anion sf-  
342 SCl- sulfur monochloride anion scl-  
343 IO Iodine monoxide io  
344 ClF- clorine monofluoride anion clf-  
345 BrF- bromine fluoride anion brf-  
346 BrF+ bromine fluoride cation brf+  
347 BrCl- bromine chloride anion brcl-  
348 BrCl+ bromine chloride cation brcl+  
349 IF Iodine monofluoride if  
350 ICl Iodine monochloride icl  
351 IBr Iodine monobromide ibr  
352 I2 Iodine diatomic i2  
353 I2+ Iodine diatomic cation i2+  
354 CHBr bromomethylene chbr  
355 DOCl Hypochlorous acid-d docl  
356 HOI Hypoiodous acid hoi  
357 FHF Hydrogen difluoride fhf  
358 FHF- Hydrogen difluoride anion fhf-  
359 NH2F monofluoroamine nh2f  
360 H2F2 Hydrogen fluoride dimer h2f2  
361 SiH3Br bromosilane sih3br  
362 CH3I methyl iodide ch3i  
363 SiH3I Silyl Iodide sih3i  
364 Ne2 Neon diatomic ne2  
365 C3+ carbon trimer cation c3+  
366 C3H3 cyclopropenyl radical cpr  
367 C3H3 Propargyl radical propargyl  
368 C3H3- Propargyl anion c3h3-  
369 C3H3+ cyclopropenyl cation cpr+  
370 C3H3+ Propargyl cation c3h3+  
371 C3H5+ Allyl cation allyl+  
372 CH3CHCH 1-propenyl radical ch3chch  
373 Zn(CH3)2 dimethyl zinc dmz  
374 C3H6 Cyclopropane c3h6  
375 SiH2(CH3)2 dimethylsilane dms  
376 KCN Potassium cyanide kcn  
377 CuCN Copper cyanide cucn  
378 N3- azide anion n3-  
379 HCCN cyanomethylene hccn  
380 HCNN diazomethyl radical hcnn  
381 CH2N2 diazirine ch2n2  
382 CH2NN diazomethane ch2nn  
383 NH2CN cyanamide cyanamide  
384 CH3CN- acetonitrile anion ch3cn-  
385 CH3CN+ Acetonitrile cation ch3cn+  
386 CH3NC methyl isocyanide ch3nc  
387 CHNCH2 2H-Azirine c157164  
388 CHNHCH 1H-Azirine chnhch  
389 H2CCNH Ethenimine ch2cnh  
390 H2CNCH methyleneaminomethylene ch2nch  
391 HCCNH2 Ethynamine hccnh2  
392 NCNH3+ Cyanamide, protonated ncnh3+  
393 CH2CHNH vinylazine ch2chnh  
394 CH3CHN methylmethaniminyl radical ch3chn  
395 NHCHNH2 aminomethanimine cn2h4  
396 C2H5N Aziridine c2h5n  
397 CH2CHNH2 aminoethene aminoethene  
398 CH2NCH3 N-methylmethanimine nmm  
399 CH3CHNH ethanimine ethanimine  
400 NH2BHNH2 diaminoborane nh2bhnh2  
401 C2H5NH+ Protonated Aziridine c2h5nh+  
402 NH2CH2NH2 diaminomethane nh2ch2nh2  
403 CH3NHCH3 Dimethylamine ch3nhch3  
404 CH3PHCH3 dimethylphosphine ch3phch3  
405 NH2CH2NH3+ diaminoethane, protonated pdam  
406 (CH3)2NH2+ dimethylammonium cation dmam  
407 CH3CH2NH3+ ethylamine, protonated pea  
408 Li2O+ dilithium oxide cation li2o+  
409 CNO- fulminate cno-  
410 NCO- cyanate nco-  
411 SCN thiocyanato radical scn  
412 SCN- thiocyanide anion scn-  
413 BO2 Boron dioxide bo2  
414 BO2- Boron dioxide anion bo2-  
415 BO2+ Boron dioxide cation bo2+  
416 N2O+ Nitrous oxide cation n2o+  
417 PPO Phosphorus oxide phosphide ppo  
418 CO2- Carbon dioxide anion co2-  
419 OCS+ Carbonyl sulfide cation cos+  
420 SiO2 silicon dioxide sio2  
421 CS2+ Carbon disulfide cation cs2+  
422 SiS2 Silicon disulfide sis2  
423 CSe2 Carbon diselenide cse2  
424 SCTe Carbon sulfide Telluride scte  
425 NO2- Nitrogen dioxide anion no2-  
426 PO2 Phosphorus dioxide po2  
427 PO2- Phosphorus dioxide anion po2-  
428 PO2+ Phosphorus dioxide cation po2+  
429 AsO2 Aresenic dioxide aso2  
430 O3- Ozone anion o3-  
431 O3+ Ozone cation o3+  
432 SO2- Sulfur dioxide anion so2-  
433 SO2+ Sulfur dioxide cation so2+  
434 S3- Sulfur trimer anion s3-  
435 TeO2 Tellurium Dioxide teo2  
436 CS2H+ Carbon disulfide, protonated cs2h+  
437 HNCO Isocyanic acid hnco  
438 HOCN cyanic acid hocn  
439 HNCS Isothiocyanic acid hncs  
440 HSCN thiocyanic acid hscn  
441 HCO2- formate anion hco2-  
442 HNNO nitrosoazane hnno  
443 HNNO+ Nitrous oxide, N-protonated hnno+  
444 NNOH+ Nitrous Oxide, O-protonated nnoh+  
445 HOCO+ Hydrocarboxyl cation hoco+  
446 HNO2 Nitrous acid hno2  
447 HNO2+ nitrous acid cation hno2+  
448 SO2H+ protonated sulfur dioxide so2h+  
449 CH2CO+ Ketene cation ch2co+  
450 HCCOH ethynol hccoh  
451 Mg(OH)2 Magnesium dihydroxide h2mgo2  
452 CH2O2 Dioxirane diox  
453 HSSSH trisulfane hsssh  
454 NaOCH3 Sodium methoxide naoch3  
455 CH2CHO Vinyloxy radical ch2cho  
456 CH3CO Acetyl radical ch3co  
457 CH3CO- Acetyl anion ch3co-  
458 CH3CO+ acetyl cation ch3co+  
459 CH2NOH formaldoxime ch2noh  
460 CH3NO nitrosomethane ch3no  
461 CHSNH2 thioformamide chsnh2  
462 CH2OOH CH2OOH radical ch2ooh  
463 CH3OO methylperoxy radical ch3oo  
464 CH3OO- methylperoxy anion ch3oo-  
465 CH3OO+ methylperoxy cation ch3oo+  
466 CH2CHOH ethenol ch2choh  
467 CH3CHS Thioacetaldehyde ch3chs  
468 NH3CHO+ Formamide, N-Protonated nh3cho+  
469 CH2(OH)2 methanediol ch2o2h2  
470 CH3OOH Methyl peroxide ch3ooh  
471 H2OH2CO water formaldehyde dimer h2oh2co  
472 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
473 CH3CH2O Ethoxy radical ethoxy  
474 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
475 CH3CHOH+ acetaldehyde, protonated ch3choh+  
476 CH3OCH2 methoxymethyl radical ch3och2  
477 NH2CH2OH aminomethanol nh2ch2oh  
478 CH3CH2OH Ethanol etoh  
479 CH3OCH3 Dimethyl ether meome  
480 CH3SeCH3 dimethylselenide dmse  
481 CH3OHH2O methanol water dimer ch3ohh2o  
482 H2OCH3OH water methanol dimer h2och3oh  
483 CuF2 Copper difluoride cuf2  
484 ZnF2 Zinc difluoride znf2  
485 FCN Cyanogen fluoride fcn  
486 ClCN chlorocyanogen clcn  
487 ICN Cyanogen iodide icn  
488 BeF2 Beryllium fluoride bef2  
489 BeCl2 Beryllium chloride becl2  
490 MgCl2 Magnesium dichloride mgcl2  
491 CaCl2 Calcium Chloride cacl2  
492 ZnCl2 Zinc dichloride zncl2  
493 CaBr2 Calcium dibromide cabr2  
494 CaF2 Calcium difluoride caf2  
495 BrNO Nitrosyl bromide brno  
496 INO Nitrosyl iodide ino  
497 CF2- Difluoromethylene anion cf2-  
498 CF2+ Difluoromethylene cation cf2+  
499 SiF2+ Silicon difluoride cation sif2+  
500 CCl2 dichloromethylene ccl2  
501 CCl2- dichloromethylene anion ccl2-  
502 CCl2+ dichloromethylene cation ccl2+  
503 SiCl2 Dichlorosilylene sicl2  
504 CBr2 dibromomethylene cbr2  
505 FOO Dioxygen monofluoride radical foo  
506 ClOO chloroperoxy radical cloo  
507 ClOO+ chloroperoxy cation cloo+  
508 OClO+ Chlorine dioxide cation oclo+  
509 ClS2 Sulfur chloride cls2  
510 OBrO Bromine dioxide radical obro  
511 NF2 Difluoroamino radical nf2  
512 NF2+ Difluoroamino cation nf2+  
513 F2O Difluorine monoxide f2o  
514 SF2+ sulfur difluoride cation sf2+  
515 Cl2O Dichlorine monoxide cl2o  
516 BrOCl Bromine hypochlorite brocl  
517 BrOBr Bromine oxide brobr  
518 F3- trifluoride anion f3-  
519 Cl3- trichloride anion cl3-  
520 I3- triiodide i3-  
521 HCCF+ fluoroacetylene cation hccf+  
522 HCCCl Chloroacetylene hcccl  
523 HCCBr bromoacetylene hccbr  
524 HFCO formyl fluoride hfco  
525 COHCl Formyl chloride cohcl  
526 COHBr Formyl bromide cohbr  
527 BHF2 Difluoroborane bhf2  
528 BHCl2 Borane, dichloro- bhcl2  
529 CHCl2 dichloromethyl radical chcl2  
530 CHBr2 dibromomethyl radical chbr2  
531 HOClO Chlorous acid hoclo  
532 CH2FCl fluorochloromethane ch2fcl  
533 CH2BrF Methane, bromofluoro- ch2fbr  
534 CH2FI fluoroiodomethane ch2fi  
535 CH2ClI chloroiodomethane ch2cli  
536 CH2BrI bromoiodomethane ch2bri  
537 CH2I2 Diiodomethane ch2i2  
538 SiH2Cl2 dichlorosilane sih2cl2  
539 CH2CHF+ fluoroethene cation ch2chf+  
540 C2H3Cl Ethene, chloro- ch2chcl  
541 C2H3Br vinyl bromide c2h3br  
542 C2H3I Vinyl iodide c2h3i  
543 CH3OCl methyl hypochlorite ch3ocl  
544 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
545 CHClCH3 1-chloroethyl radical chclch3  
546 C2H5F fluoroethane c2h5f  
547 CH3CH2Cl Ethyl chloride c2h5cl  
548 CH3SiFH2 fluoromethylsilane ch3sifh2  
549 C2H5Br Ethyl bromide etbr  
550 C2H5I Ethyl iodide c2h5i  
551 XeF2 Xenon difluoride xef2  
552 B4H10 Tetraborane(10) b4h10  
553 C4+ Carbon tetramer cation c4+  
554 C4H2 Diacetylene c4h2  
555 C4H2+ diacetlyene cation c4h2+  
556 C2H3CCH 1-Buten-3-yne c2h3cch  
557 H2CCCCH2 Butatriene h2cccch2  
558 C4H6 1-Methylcyclopropene c3100047  
559 C4H6 Cyclobutene c822355  
560 C4H6 Methylenecyclopropane c6142730  
561 CH2CCHCH3 1,2-Butadiene butad12  
562 CH2CHCHCH2 1,3-Butadiene c106990  
563 CH3CCCH3 2-Butyne c503173  
564 CHCCH2CH3 1-Butyne c107006  
565 CH3CHCHCH2 methylallyl radical c4h7  
566 C4H8 methylcyclopropane mcp  
567 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
568 CH2CHCH2CH3 1-Butene bute1  
569 CH3CHCHCH3 2-Butene, (E)- bute2e  
570 CH3CHCHCH3 2-Butene, (Z)- bute2z  
571 B(CH3)3 trimethylborane bme3  
572 Al(CH3)3 trimethyl aluminum tma  
573 C(CH3)3 Tert-butyl radical tbutyl  
574 CH2CH(CH3)2 Isobutyl radical isobutyl  
575 CH3CHCH2CH3 2-Butyl radical butyl2  
576 CH3CH(CH3)CH3 Isobutane isobutane  
577 SiH(CH3)3 trimethylsilane trimsi  
578 C2N2+ Cyanogen cation c2n2+  
579 P4 Phosphorus tetramer p4  
580 HCCCN Cyanoacetylene hcccn  
581 C3H3N acrylonitrile ch2chcn  
582 C3H3N+ acrylonitrile cation ch2chcn+  
583 CH3N3 methyl azide ch3n3  
584 NH2CCNH2 Diaminoacetylene daa  
585 NH2CH2CN Aminoacetonitrile aan  
586 CH3NHN2+ methyl azide, protonated ch3nhn2+  
587 C2H5CN ethyl cyanide c2h5cn  
588 CH5N3 Guanidine guanidine  
589 C4H6 Bicyclo[1.1.0]butane c157335  
590 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
591 H2NCHCHNH2 diaminoethylene dae  
592 CH6N3+ guanidinium ch6n3+  
593 C3H7N Cyclopropylamine cpram  
594 C3H7N Azetidine azet  
595 C4H8 cyclobutane cbutane  
596 C2H8N2 Ethylenediamine ethdiam  
597 CH3NHNHCH3 dimethyl hydrazine dmh  
598 CH3CH(NH2)CH3 2-Propanamine pram2  
599 N(CH3)3 Trimethylamine trimeam  
600 NH2CH2CH2CH3 1-Propanamine pram1  
601 P(CH3)3 trimethylphosphine tmp  
602 As(CH3)3 trimethyl arsine tmas  
603 (CH3)3NH+ protonated trimethyl amine ptma  
604 C3H7NH3+ n-propylamine, protonated c3h7nh2  
605 Li2O2 dilithium dioxide li2o2  
606 K2O2 dipotassium dioxide k2o2  
607 B2O2 Diboron dioxide b2o2  
608 CO3 Carbon trioxide co3  
609 CO3-- carbonate co3--  
610 CS3-- Carbonotrithioate cs3--  
611 NO3 Nitrogen trioxide no3  
612 NO3+ nitrogen trioxide cation no3+  
613 SO3- Sulfur trioxide anion so3-  
614 SO3+ Sulfur trioxide cation so3+  
615 SeO3 selenium trioxide seo3  
616 TeO3 Tellurium trioxide teo3  
617 HCO3- bicarbonate anion hco3-  
618 HSO3 Hydroxysulfonyl radical hso3  
619 NH2NO2 nitramide nh2no2  
620 C2H2CO cyclopropenone c2h2co  
621 HCCCHO 2-propynal hcccho  
622 C2H2O2+ Ethanedial cation c2h2o2+  
623 H2CO3 Carbonic acid h2co3  
624 H2CS3 thiocarbonic acid h2cs3  
625 H2NO3+ Nitric Acid, Protonated h2no3+  
626 H2SO3 Sulfurous acid h2so3  
627 CH3NCO methylisocyante ch3nco  
628 HOCH2CN cyanomethanol hoch2cn  
629 CH3COO- acetate anion ch3coo-  
630 CH3ONO Methyl nitrite ch3ono  
631 NH2COOH Carbamic acid nh2cooh  
632 H3BO3 Boric acid h3bo3  
633 H3CO3+ carbonic acid, protonated h3co3+  
634 C3H4O 2-Propyn-1-ol c107197  
635 C3H4O allenol c9000071  
636 C3H4O Cyclopropanone cpone  
637 C3H4O Methylketene c6004440  
638 NH2CONH2+ Urea cation urea+  
639 NH2CSNH2 Thiourea thiourea  
640 C2H4O2 1,3-dioxetane c2h4o2  
641 CH3COOH Acetic acid ch3cooh  
642 CH3OCHO methyl formate ch3ocho  
643 CHOCH2OH hydroxy acetaldehyde haa  
644 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
645 NH3COOH+ protonated Carbamic acid nh3cooh+  
646 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
647 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
648 HCOOHH2O Formic acid water dimer hcoohh2o  
649 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
650 CH2C(OH)NH2 1-amino vinyl alchohol ava  
651 CH3C(OH)=NH Ethaninidic acid eia  
652 CH3CHNOH Acetaldoxime acetaldoxime  
653 CH3CONH2 Acetamide acetamide  
654 HCONHCH3 N-methylformamide nmfa  
655 CH3CSNH2 Ethanethioamide ch3csnh2  
656 CH5N2O+ urea, N-protonated ch4n2o+  
657 H2NCOHNH2+ urea, protonated ureah+  
658 C2H5OO ethylperoxy radical c2h5oo  
659 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
660 C3H5OH Cyclopropanol cproh  
661 C3H6O 2-Propen-1-ol c107186  
662 C3H6O Acetone enol enol  
663 C3H6O Oxetane oxetane  
664 C3H6O Propylene oxide prox  
665 CH3COCH3 Acetone acetone  
666 CH3COCH3- acetone anion ch3coch3-  
667 C3H6S Thietane thietane  
668 C3H6S Thiirane, methyl- methiirane  
669 CH3CSCH3 Thioacetone ch3csch3  
670 C2H6O2 1,2-Ethanediol ethdiol  
671 CH3OOCH3 dimethylperoxide dmp  
672 CH3SOCH3 Dimethyl sulfoxide dmso  
673 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
674 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
675 CH3COHCH3+ acetone, protonated acetoneh+  
676 HOCH2CH2NH2 monoethanolamine mea  
677 C3H7OH 1-Propanol proh  
678 CH3CHOHCH3 Isopropyl alcohol isoproh  
679 CH3OC2H5 Ethane, methoxy- etome  
680 C3H7SH 1-Propanethiol prsh  
681 CH3CHSHCH3 2-Propanethiol isoprsh  
682 CH3SCH2CH3 Ethane, (methylthio)- etsme  
683 H2OCH3OCH3 water dimethylether dimer h2och3och3  
684 Na2F2 Sodium Fluoride Dimer na2f2  
685 Na2Cl2 Disodium dichloride na2cl2  
686 C2F2 difluoroacetylene c2f2  
687 C2Cl2 dichloroacetylene c2cl2  
688 C2Cl2+ dichloroacetylene cation c2cl2+  
689 FNO2 Nitryl fluoride fno2  
690 FONO Nitrosyl hypofluorite fono  
691 ClNO2 Nitryl chloride clno2  
692 ClONO chlorine nitrite clono  
693 BrONO Bromine nitrite brono  
694 N2F2 (Z)-Difluorodiazene n2f2_z  
695 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
696 COFCl Carbonic chloride fluoride cofcl  
697 CCl2O Phosgene cl2co  
698 COBr2 Carbonic dibromide cobr2  
699 BF3- Borane, trifluoro- anion bf3-  
700 BClF2 Chlorodifluoroborane bclf2  
701 AlF2Cl Aluminum chloride difluoride alclf2  
702 ScF3 Scandium trifluoride ScF3  
703 AlFCl2 Aluminum dichloride fluoride alcl2f  
704 AlCl3 Aluminum trichloride alcl3  
705 BBr3 Boron tribromide bbr3  
706 AlBr3 Aluminum Bromide albr3  
707 ClO3 Chlorine trioxide clo3  
708 ClO3- chlorate anion clo3-  
709 BrO3- Bromate anion bro3-  
710 CF3 Trifluoromethyl radical cf3  
711 CF3- Trifluoromethyl anion cf3-  
712 CF3+ Trifluoromethyl cation cf3+  
713 SiF3 Silicon trifluoride radical sif3  
714 SiF3+ Silicon trifluoride cation sif3+  
715 CCl3 Trichloromethyl radical ccl3  
716 CCl3- Trichloromethyl anion ccl3-  
717 CCl3+ Trichloromethyl cation ccl3+  
718 SiCl3 trichlorosilyl radical sicl3  
719 SiCl3+ trichlorosilyl cation sicl3+  
720 CBr3 tribromomethyl radical cbr3  
721 FOOF Perfluoroperoxide foof  
722 F2SO Thionyl Fluoride f2so  
723 ClOOCl Dichlorine dioxide cloocl  
724 FSSF Difluorodisulfane fssf  
725 S2F2 Thio-thionyl fluoride s2f2  
726 SOCl2 thionyl chloride socl2  
727 SeOCl2 selenium oxychloride seocl2  
728 NF3- Nitrogen trifluoride anion nf3-  
729 NF3+ Nitrogen trifluoride cation nf3+  
730 PF3 Phosphorus trifluoride pf3  
731 AsF3 Arsenic trifluoride asf3  
732 PCl3 Phosphorus trichloride pcl3  
733 SbF3 Antimony Trifluoride sbf3  
734 AsCl3 Arsenous trichloride ascl3  
735 SbCl3 Antimony Trichloride sbcl3  
736 PBr3 Phosphorus tribromide pbr3  
737 AsBr3 Arsenic tribromide asbr3  
738 NI3 Nitrogen triiodide ni3  
739 PI3 Phosphorus triiodide pi3  
740 ClSSCl Disulfur dichloride s2cl2  
741 ClF3 Chlorine trifluoride clf3  
742 BrF3 Bromine trifluoride brf3  
743 IF3 iodone trifluoride if3  
744 CHF2Cl difluorochloromethane chf2cl  
745 CHFCl2 fluorodichloromethane chfcl2  
746 CDCl3 trichloromethane-d cdcl3  
747 CHCl3 Chloroform chcl3  
748 SiHCl3 Trichlorosilane sihcl3  
749 CHFClBr fluorochlorobromomethane chfclbr  
750 CHF2I difluoroiodomethane chf2i  
751 CHBr2F dibromofluoromethane chbr2f  
752 CHFClI fluorochloroiodomethane chfcli  
753 CHCl2I dichloroiodomethane chcl2i  
754 CHClBr2 Methane, dibromochloro- chclbr2  
755 CHBr3 bromoform chbr3  
756 CHI3 Iodoform chi3  
757 NF3H+ protonated nitrogen trifluoride nf3h+  
758 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
759 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
760 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
761 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
762 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
763 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
764 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
765 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
766 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
767 C2H2Br2 1,1-dibromoethene c2h2br2  
768 CH2FCHO Fluoroacetaldehyde ch2fcho  
769 CH3COF Acetyl fluoride ch3cof  
770 CH2ClCHO chloroacetaldehyde ch2clcho  
771 CH3COCl Acetyl Chloride ch3cocl  
772 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
773 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
774 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
775 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
776 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
777 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
778 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
779 CH2CFCH3 2-fluoropropene 2fpro  
780 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
781 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
782 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
783 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
784 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
785 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
786 CH2FCH2CH3 1-Fluoropropane prf1  
787 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
788 CH3CHClCH3 Propane, 2-chloro- prcl2  
789 CH3CH2CH2Br n-propyl bromide prbr  
790 CH3CHBrCH3 i-propyl bromide iprbr  
791 C3H9O+ trimethyl oxonium cation c3h9o+  
792 B5H9 pentaborane9 b5h9  
793 C5H4 pentatetraene ptrene  
794 C5H5 cyclopentadienyl radical c5h5  
795 C5H5- cylopentadienyl anion c5h5-  
796 C5H6 1,3-Cyclopentadiene c542927  
797 C5H6 1-Buten-3-yne, 2-methyl- c78808  
798 C5H6 3-Penten-1-yne, (E)- c2004695  
799 C5H6 3-Penten-1-yne, (Z)- c1574409  
800 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
801 C5H6 Cyclopropylacetylene c6746947  
802 C5H6 Propellane propellane  
803 C5H7 1,3-pentadienyl radical pdyl  
804 C5H7 cyclopentenyl radical cpyl  
805 C5H8 1,2-Butadiene, 3-methyl- c598254  
806 C5H8 1,2-Pentadiene c591957  
807 C5H8 1,3-Butadiene, 2-methyl- c78795  
808 C5H8 1,3-Pentadiene, (E)- c2004708  
809 C5H8 1,3-Pentadiene, (Z)- c1574410  
810 C5H8 1,4-Pentadiene c591935  
811 C5H8 1-pentyne a1pentyne  
812 C5H8 2,3-Pentadiene c591968  
813 C5H8 Bicyclo[1.1.1]pentane bcp  
814 C5H8 Cyclobutane, methylene- c1120565  
815 C5H8 Cyclopentene c142290  
816 C5H8 Ethenylcyclopropane c693867  
817 CH3CCCH2CH3 2-Pentyne 2pentyne  
818 C5H10 1-Butene, 2-methyl- c563462  
819 C5H10 2-Butene, 2-methyl- c513359  
820 C5H10 2-Pentene, (E)- c646048  
821 C5H10 2-Pentene, (Z)- c627203  
822 C5H10 Cyclopentane c287923  
823 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
824 CH2CHCH2CH2CH3 1-pentene pentene  
825 C5H11 2-Methylbut-2-yl radical c4348350  
826 C5H12 Butane, 2-methyl- buta2  
827 C5H12 Pentane pentane  
828 C5H12 Propane, 2,2-dimethyl- neopentane  
829 Si(CH3)4 tetramethylsilane tms  
830 N2O3 Dinitrogen trioxide n2o3  
831 C3H2N2 Malononitrile c3h2n2  
832 CH2N4 1H-Tetrazole 1htz  
833 C3H3N2 imidazolyl radical im  
834 C3H3N2- imidizolyl anion im-  
835 C2H3N3 1H-1,2,4-Triazole c288880  
836 C4H4N pyrrolide radical c4h4n  
837 C4H4N- pyrrolide anion c4h4n-  
838 C3H4N2 1H-Imidazole 1himidaz  
839 C3H4N2 1H-Pyrazole 1hpyraz  
840 C3H4N2 2H-Imidazole imid2h  
841 C3H4N2 4H-Imidazole imid4h  
842 C4H5N (E)-2-Butenenitrile c627269  
843 C4H5N (Z)-2-Butenenitrile c1190767  
844 C4H5N 2H-pyrrole pyrrole2  
845 C4H5N 3H-pyrrole pyrrole3  
846 C4H5N Cyclopropanecarbonitrile c5500210  
847 C4H5N Pyrrole pyrrole  
848 CH2CHCH2CN Allylcyanide ch2chch2cn  
849 C4H6N+ pyrrole, alpha-protonated appyr  
850 C4H6N+ pyrrole, beta-protonated bppyr  
851 C4H6N+ pyrrole, protonated ppyr  
852 C3H6N2 3-Aminopropionitrile c151188  
853 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
854 CH3CH2CH2CN Butanenitrile c109740  
855 C5H8 Bicyclo[2.1.0]pentane c185944  
856 C5H8 Spiropentane c157404  
857 C4H9N Cyclobutylamine cbam  
858 C4H9N Pyrrolidine pyrrolidine  
859 C3H10N2 1,2-Diaminopropane diampr12  
860 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
861 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
862 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
863 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
864 NH(C2H5)2 diethylamine dea  
865 NC4H12+ tetramethyl ammonium cation nc4h12+  
866 C3O2+ Carbon suboxide cation c3o2+  
867 MgCO3 Magnesium Carbonate mgco3  
868 BeCO3 Beryllium Carbonate beco3  
869 CaCO3 Calcium Carbonate caco3  
870 ONONO Nitrosyl nitrite onono  
871 PO4--- phosphate po4---  
872 SO4-- sulfate so4--  
873 HOONO2 peroxy nitric acid hoono2  
874 HSO4- bisulfate anion hso4-  
875 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
876 C3H2O2 Propiolic acid c3h2o2  
877 CHOCOOH oxo acetic acid oaa  
878 CHOOCHO diformyl ether choocho  
879 H2SO4 Sulfuric acid h2so4  
880 H2SeO4 Selenic acid h2seo4  
881 C3H3NO Oxazole oxazole  
882 C3H3NS Thiazole thiazole  
883 CH3C(O)OO acetyl peroxy radical ch3coo2  
884 CH3NO3 Methyl nitrate ch3no3  
885 H3PO4 Phosphoric Acid h3po4  
886 C4H4O Furan furan  
887 C4H4O+ Furan cation furan+  
888 CH3COCCH 3-butyn-2-one c1423605  
889 C4H4S Thiophene furans  
890 C4H4Se selenophene c4h4se  
891 C3H4O2 β–Propiolactone beta  
892 C3H4O2 2-Propenoic acid propenoic2  
893 C3H4O2 Methyl glyoxal megly  
894 C3H4O2 propanedial propanedial  
895 C3H4O2 propenalol propenalol  
896 HOCHCCHOH allenediol aldiol  
897 C2H4O3 1,2,3-trioxolane c2h4o3  
898 C2H4O3 trioxolane124 triox  
899 HOCH2COOH Hydroxyacetic acid hac  
900 CH2CHCONH2 Acrylamide c79061  
901 CH3OCH2CN Methoxyacetonitrile c1738369  
902 CH5N3S Hydrazinecarbothioamide c79196  
903 H2NCH2COOH Glycine glycine  
904 CH3SO2NH2 methanesulfonamide ch3so2nh2  
905 C4H6O cis-2-butenal butenal2c  
906 C4H6O Cyclobutanone cbutone  
907 C4H6O Furan, 2,3-dihydro- furan23h  
908 C4H6O Furan, 2,5-dihydro- furan25h  
909 CH2CHOCHCH2 Vinyl ether vinylether  
910 CHOCHCHCH3 2-Butenal butenal2  
911 C4H6S Thiophene, 2,3-dihydro- thiop23h  
912 C4H6S Thiophene, 2,5-dihydro- thiop25h  
913 CH2CHSCHCH2 Divinyl sulfide divis  
914 C2H6N2O Urea, methyl- c598505  
915 C3H6O2 1,3-Dioxolane dioxolane  
916 CH3CH2COOH Propanoic Acid propanoic  
917 CH3COOCH3 methyl acetate aame  
918 HCOOC2H5 Ethyl formate faee  
919 C2H6O2S Dimethyl sulfone c67710  
920 CH3SSSCH3 dimethyl trisulfide c2h6s3  
921 C3H7NO dimethylformamide dmf  
922 C3H7NO Propanamide propanam  
923 C2H3OC2H5 Ethene, ethoxy- c109922  
924 C4H8O Cyclobutanol c2919235  
925 C4H8O Furan, tetrahydro- thf  
926 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
927 CH3COCH2CH3 2-Butanone buta2one  
928 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
929 CHOCH2CH2CH3 Butanal butanal  
930 C4H8S Thiophene, tetrahydro- tht  
931 C3H8O2 1,3-Propanediol c504632  
932 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
933 C3H8O2 Methane, dimethoxy- c109875  
934 C3H8O2 Propylene glycol c57556  
935 C3H8S2 1,3-Propanedithiol c109808  
936 C4H10O 1-Butanol butanol1  
937 C4H10O 1-Propanol, 2-methyl- c78831  
938 C4H10O 2-Butanol, (.+/-.)- butanol2  
939 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
940 C4H10O Ethoxy ethane etoet  
941 C4H10O Methyl propyl ether meopr  
942 C4H10O Propane, 2-methoxy- c598538  
943 C4H10O+ 1-Butanol cation butanol1+  
944 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
945 C2H5SC2H5 Diethyl sulfide etset  
946 C4H9SH 1-Butanethiol bush  
947 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
948 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
949 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
950 FNO3 Fluorine nitrate fno3  
951 ClONO2 Chlorine nitrate clono2  
952 BrONO2 Bromine nitrate brono2  
953 TiCl4 Titanium tetrachloride ticl4  
954 ClO4- perchlorate anion clo4-  
955 BF4- tetrafluoroboron anion bf4-  
956 ClFO3 Perchloryl fluoride clfo3  
957 SO2F2 Sulfuryl fluoride so2f2  
958 SO2Cl2 Sulfuryl chloride so2cl2  
959 F3NO Nitrogen trifluoride oxide f3no  
960 F3PO Phosphoryl fluoride pf3o  
961 Cl3PO Phosphoryl chloride pcl3o  
962 CF4 Carbon tetrafluoride cf4  
963 SiF4 Silicon tetrafluoride sif4  
964 TiF4 Titanium tetrafluoride tif4  
965 CFCl3 Trichloromonofluoromethane cfcl3  
966 CF3Br Bromotrifluoromethane cf3br  
967 GeF4 Germanium tetrafluoride gef4  
968 CCl4 Carbon tetrachloride ccl4  
969 CCl4+ Carbon tetrachloride cation ccl4+  
970 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
971 SiCl4 Silane, tetrachloro- sicl4  
972 CBrCl2F bromodichlorofluoromethane cbrcl2f  
973 CF3I trifluoroiodomethane cf3i  
974 CBrCl3 Methane, bromotrichloro- cbrcl3  
975 CBr2F2 Methane, dibromodifluoro- cbr2f2  
976 GeCl4 Germanium Tetrachloride gecl4  
977 CBr2ClF dibromochlorofluoromethane cbr2clf  
978 CBr2Cl2 dibromodichloromethane cbr2cl2  
979 CCl3I trichloroiodomethane ccl3i  
980 CFBr3 fluorotribromomethane cfbr3  
981 CFClBrI fluorochlorobromoiodomethane cfclbri  
982 CBr3Cl tribromochloromethane cbr3cl  
983 CF2I2 difluorodiiodomethane cf2i2  
984 CBr4 Carbon tetrabromide cbr4  
985 CCl2I2 dichlorodiiodomethane ccl2i2  
986 SiBr4 Silicon tetrabromide sibr4  
987 CBr3I tribromoiododmethane cbr3i  
988 GeBr4 Germanium tetrabromide gebr4  
989 CI4 tetraiodomethane ci4  
990 SiI4 silicon tetraiodide sii4  
991 ClOF3 Chlorine trifluoride oxide clof3  
992 SeF4 Selenium tetrafluoride sef4  
993 SCl4 Sulfur tetrachloride scl4  
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 CHClCCHCl 1,3-dichloroallene chclcchcl  
1002 CHCl2CHO dichloroacetaldehyde chcl2cho  
1003 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1004 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1005 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1006 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1007 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1008 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1009 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1010 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1011 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1012 NH3BCl3 Amminetrichloroboron nh3bcl3  
1013 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1014 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1015 C3H5ClO Oxirane, (chloromethyl)- c106898  
1016 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1017 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1018 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1019 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1020 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1021 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1022 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1023 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1024 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1025 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1026 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1027 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1028 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1029 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1030 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1031 C4H9F 1-fluorobutane butaf1  
1032 CH3CHFCH2CH3 2-fluorobutane butaf2  
1033 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1034 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1035 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1036 XeF4 Xenon tetrafluoride xef4  
1037 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1038 NH3BF3 Amminetrifluoroboron nh3bf3  
1039 C6H2 hexatriyne c6h2  
1040 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1041 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1042 C6H4 Benzyne benzyne  
1043 C6H5 phenyl phenyl  
1044 C6H5- phenyl anion phenyl-  
1045 C6H6 Prismane prismane  
1046 C6H6 1,2,4,5-Hexatetraene ht1245  
1047 C6H6 2,4-Hexadiyne hexadiyne  
1048 C6H6 3,4-Dimethylenecyclobutene cb34m  
1049 C6H6 Benzene benzene  
1050 C6H6 Benzvalene bv  
1051 C6H6 Dewar Benzene dewar  
1052 C6H6 Hexa-1,5-diene-3-yne hdy153  
1053 C6H6 Trimethylenecycopropane tmcp  
1054 C6H6+ Benzene cation c6h6+  
1055 C6H7+ benzene, protonated c6h7+  
1056 C6H8 (E)-hexa-1,3,5-triene c821078  
1057 C6H8 (E)-hexa-2,3,4-triene c59660650  
1058 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1059 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1060 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1061 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1062 C6H8 3-Methylenecyclopentene c930267  
1063 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1064 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1065 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1066 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1067 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1068 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1069 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1070 C6H10 1,5-Hexadiene c592427  
1071 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1072 C6H10 1-Hexyne hexyne1  
1073 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1074 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1075 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1076 C6H10 2-Hexyne c764352  
1077 C6H10 3-Hexyne hexyne3  
1078 C6H10 cyclohexene cyclohexene  
1079 C6H10 Cyclopentene, 1-methyl- c693890  
1080 C6H10 Cyclopentene, 3-methyl- c1120623  
1081 C6H10 Cyclopentene, 4-methyl- c1759815  
1082 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1083 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1084 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1085 C6H12 (E)-2-Hexene e2hexene  
1086 C6H12 (E)-3-methylpent-2-ene c616126  
1087 C6H12 (E)-hex-3-ene e3hexene  
1088 C6H12 (Z)-3-methylpent-2-ene c922623  
1089 C6H12 (Z)-hex-2-ene z2hexene  
1090 C6H12 (Z)-hex-3-ene z3hexene  
1091 C6H12 2,3-dimethylbut-1-ene c563780  
1092 C6H12 2,3-dimethyl-but-2-ene tmeet  
1093 C6H12 3-methylenepentane c760214  
1094 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1095 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1096 C6H12 Cyclohexane cyclohexane  
1097 C6H12 Cyclopentane, methyl- c96377  
1098 C6H12 Ethylcyclobutane c4806615  
1099 C6H12 hex-1-ene hexene1  
1100 C6H14 Butane, 2,2-dimethyl- buta22  
1101 C6H14 Butane, 2,3-dimethyl- buta23  
1102 C6H14 Hexane hexane  
1103 C6H14 Pentane, 2-methyl- penta2  
1104 C6H14 Pentane, 3-methyl- penta3  
1105 C4N2 2-Butynedinitrile c4n2  
1106 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1107 C4H2N2 Fumaronitrile c4h2n2  
1108 C2H2N4 sym-tetrazine ttz  
1109 C3H3N3 1,3,5-Triazine triazine135  
1110 CH3N5 5-Aminotetrazole c4418615  
1111 C4H4N2 1,3-Diazine diazine13  
1112 C4H4N2 Pyrazine pyrazine  
1113 C4H4N2 Pyridazine pyridazine  
1114 C4H4N2 Succinonitrile c110612  
1115 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1116 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1117 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1118 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1119 C5H5N E-2,4-pentadienenitrile bdcn  
1120 C5H5N Pyridine pyridine  
1121 B3N3H6 borazine borazine  
1122 C6H6 Fulvene fulvene  
1123 C5H6N+ Pyridinium c5h6n  
1124 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1125 C5H7N (E)-2-Pentenenitrile c26294984  
1126 C5H7N (E)-3-Pentenenitrile c16529661  
1127 C5H7N (Z)-2-Pentenenitrile c25899507  
1128 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1129 C5H7N Cyclobutanecarbonitrile c4426113  
1130 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1131 C5H9N Butanenitrile, 2-methyl- c18936179  
1132 C5H9N Pentanenitrile c110598  
1133 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1134 C6H10 Bicyclo[3.1.0]hexane c285585  
1135 C5H11N Cyclopentanamine cypentam  
1136 C5H11N Piperidine piper  
1137 C4H12N2 1,2-Butanediamine c4426486  
1138 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1139 Li2CO3 Lithium Carbonate li2co3  
1140 Na2CO3 Sodium Carbonate na2co3  
1141 C2O4-- oxalate anion c2o4  
1142 MgSO4 Magnesium Sulfate mgso4  
1143 C2H2O4 Oxalic Acid oxalic  
1144 C2H3NO3 Oxamic acid oxamic  
1145 C4H4O2 2(5H)-Furanone furanone  
1146 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1147 C2H4N2O2 Oxalamide oxalamide  
1148 C2H4N2S2 Ethanedithioamide c79403  
1149 C2H4CO3 Ethylene carbonate etco3  
1150 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1151 C3H4S3 1,3-Dithiolane-2-thione c822388  
1152 C2H4O4 Formic acid dimer fadimer  
1153 C4H5NO 3-Methylisoxazole isox3m  
1154 C4H5NO Isoxazole, 5-methyl- c5765446  
1155 C4H5NS 4-Methylthiazole c693958  
1156 C2H5NO3 Nitric acid, ethyl ester c625581  
1157 C5H6O 2H-Pyran pyran2  
1158 C5H6O 2-methylfuran furan2m  
1159 C5H6O 3-Methylfuran furan3m  
1160 C5H6O Pentadienal pdal  
1161 C5H6S Thiophene, 2-methyl- c554143  
1162 C5H6S Thiophene, 3-methyl- c616444  
1163 C4H6O2 2,3-Butanedione c431038  
1164 C4H6O2 2-Propenoic acid, methyl ester c96333  
1165 C4H6O2 Crotonic Acid crot  
1166 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1167 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1168 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1169 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1170 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1171 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1172 C4H6OS Vinyl sulfoxide c1115157  
1173 CH6N4S Carbonothioic dihydrazide thiacarb  
1174 C2H6N2O2 (E)-Azodioxymethane c37765154  
1175 C2H6N2O2 Dimethylnitroamine c4164287  
1176 C3H6S3 1,3,5-Trithiane c3h6s3  
1177 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1178 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1179 C4H7NO 2-Pyrrolidinone c616455  
1180 C4H7NO Ethoxyacetonitrile etoaccn  
1181 C4H7NO Methacrylamide c79390  
1182 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1183 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1184 C3H7ONO Propyl nitrite prono  
1185 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1186 CH3CH(NH2)COOH Alanine alanine  
1187 CH3NHCH2COOH Sarcosine sarcosine  
1188 NH2CH2CH2COOH β–alanine betaalanine  
1189 NH2COOC2H5 Urethane urethane  
1190 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1191 C5H8O Cyclopentanone c120923  
1192 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1193 C5H8O Methyl cyclopropyl ketone c765435  
1194 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1195 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1196 NH2CONHC2H5 Urea, ethyl- c625525  
1197 C4H8O2 1,3-Dioxane dioxan13  
1198 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1199 C4H8O2 1,4-Dioxane dioxan14  
1200 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1201 C4H8O2 Ethyl acetate c141786  
1202 C4H8OS s-Ethyl thioacetate c625605  
1203 C3H8O3 1,2,3-Propanetriol glycerin  
1204 C3H8O2S (Methylsulfonyl)ethane c594434  
1205 C4H9NO Butanamide c541355  
1206 C4H9NO Propanamide, 2-methyl- c563837  
1207 C5H10O 2-Butanone, 3-methyl- c563804  
1208 C5H10O 2H-Pyran, tetrahydro- c142687  
1209 C5H10O 2-methylbutyraldehyde 2meba  
1210 C5H10O 2-Pentanone mpk  
1211 C5H10O 3-Pentanone dek  
1212 C5H10O Cyclopentanol c96413  
1213 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1214 C5H10O Pentanal pal  
1215 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1216 C5H10S 3-Ethylthio-1-propene c5296628  
1217 C5H10S Cyclopentanethiol c1679078  
1218 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1219 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1220 C4H10O2 1,1-Dimethoxyethane c534156  
1221 C4H10O2 1,3-Butanediol budiol13  
1222 C4H10O2 1,4-Butanediol budiol14  
1223 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1224 C4H10OS Diethyl sulfoxide c70291  
1225 C4H10S2 1,4-Butanedithiol budisl14  
1226 C4H11NO Diethylhydroxylamine c3710847  
1227 C5H12O 1-Butanol, 2-methyl- c137326  
1228 C5H12O 1-Butanol, 3-methyl- c123513  
1229 C5H12O 1-Pentanol pentanol1  
1230 C5H12O 2-Butanol, 3-methyl- c598754  
1231 C5H12O 2-Pentanol peol2  
1232 C5H12O 3-Pentanol pentan3ol  
1233 C5H12O Butane, 1-methoxy- meobu  
1234 C5H12O Propane, 1-ethoxy- proet  
1235 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1236 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1237 C5H12S 1-Butanethiol, 3-methyl- c541311  
1238 C5H12S 1-Pentanethiol c110667  
1239 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1240 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1241 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1242 C5H12S Butane, 1-(methylthio)- c628295  
1243 C5H12S Ethyl propyl sulfide c4110503  
1244 C5H12S Propane, 2-(ethylthio)- c5145993  
1245 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1246 C4F2 difluorobutadiyne c4f2  
1247 ClCOClCO Oxalyl chloride oxcl  
1248 CF3CN Acetonitrile, trifluoro- cf3cn  
1249 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1250 B2F4 Diboron tetrafluoride b2f4  
1251 B2Cl4 Diboron tetrachloride b2cl4  
1252 C2F4 Tetrafluoroethylene c2f4  
1253 C2F4+ Tetrafluoroethylene cation c2f4+  
1254 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1255 CF2CCl2 difluorodichloroethylene cf2ccl2  
1256 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1257 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1258 C2FCl3 fluorotrichloroethene c2fcl3  
1259 C2Cl4 Tetrachloroethylene c2cl4  
1260 C2Br4 tetrabromoethene c2br4  
1261 CF3OF Trifluoromethylhypofluorite cf3of  
1262 SiF5- silicon pentafluoride anion sif5-  
1263 SOF4 Sulfur tetrafluoride oxide sof4  
1264 AsF5 Arsenic pentafluoride asf5  
1265 PCl5 Phosphorus pentachloride pcl5  
1266 SF5 Sulfur pentafluoride sf5  
1267 SF5+ pentafluoro sulfur cation sf5+  
1268 SbCl5 Antimony pentachloride sbcl5  
1269 BrF5 bromine pentafluoride brf5  
1270 ClF5 chlorinepentafluoride clf5  
1271 IF5 pentafluoroiodine if5  
1272 CF3CHO trifluoroacetaldehyde cf3cho  
1273 CCl3CHO trichloroacetaldehyde ccl3cho  
1274 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1275 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1276 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1277 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1278 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1279 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1280 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1281 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1282 CF3COOH trifluoroacetic acid cf3cooh  
1283 C4H3ClO Furan, 2-chloro fur2cl  
1284 C4H3ClO Furan,3-chloro fur3cl  
1285 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1286 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1287 C4H8Cl2 1,4-Dichlorobutane c110565  
1288 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1289 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1290 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1291 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1292 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1293 C5H11Cl Pentane, 1-chloro- pencl1  
1294 C4H8O2 Butanoic acid bua  
1295 C6H5CH2 benzyl radical benzyl  
1296 C7H7 cycloheptatrienyl radical c7h7  
1297 C7H7+ cycloheptatrienyl cation c7h7+  
1298 C6H5CH3 toluene toluene  
1299 C7H8 cycloheptatriene cht  
1300 C7H8 Norbornadiene norbor  
1301 C7H8 Quadricyclane qucy  
1302 C7H12 Norbornane nor  
1303 C7H14 cycloheptane c7h14  
1304 C7H16 2-methylhexane 2mhex  
1305 C7H16 3-methylhexane hex3m  
1306 C7H16 heptane heptane  
1307 CH(CN)3 tricyanomethane mecn3  
1308 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1309 C6H7N 2-Methylpyridine mp  
1310 C6H5NH2 aniline aniline  
1311 C6H13N 2-Methylpiperidine pip2m  
1312 C6H13N cyclohexanamine cham  
1313 C6H15N triethylamine tea  
1314 N2O5 Dinitrogen pentoxide n2o5  
1315 C4H2O3 Maleic Anhydride malan  
1316 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1317 C5H4O2 furfural furfural  
1318 C6H5O phenoxy radical phenoxy  
1319 C5H5NO 2(1H)-Pyridinone c72762006  
1320 C5H5NO 2(3H)-Pyridinone c9000048  
1321 C5H5NO 2(5H)-Pyridinone c9000037  
1322 C5H5NO 2-Pyridinol c109104  
1323 C5H5NO 3(2H)-Pyridinone c9000004  
1324 C5H5NO 3(4H)-Pyridinone c9000026  
1325 C5H5NO 3(6H)-Pyridinone c9000015  
1326 C5H5NO 3-Pyridinol c109002  
1327 C5H5NO 4(1H)-Pryidinone c9000060  
1328 C5H5NO 4(3H)-Pryidinone c9000059  
1329 C5H5NO 4-Pyridinol c626642  
1330 C6H5OH phenol phenol  
1331 C6H6O 2,4-Cyclohexadienone c24599573  
1332 C6H6O 2,5-Cyclohexadienone c5664335  
1333 C6H5SH Benzenethiol phsh  
1334 HO2CCHNH2CH2OH Serine serine  
1335 C5H8O2 Acetylacetone acac  
1336 C4H8O2S Sulfolane sulfolane  
1337 C7H10 Norbornene norbornene  
1338 CH(C2H3)3 trivinyl methane tvm  
1339 C6H10O cyclohexanone chexo  
1340 C6H12O hexanal c6h12o  
1341 C3H7OC3H7 di-n-propyl ether propr  
1342 F2CCCF2 tetrafluoroallene pfa  
1343 CF3COO- trifluoro acetate anion cf3coo-  
1344 CF3COF trifluoroacetyl fluoride cf3cof  
1345 CF3COCl trifluoroacetyl chloride cf3cocl  
1346 PF6 Hexafluorophosphate neutral pf6  
1347 PF6- Hexafluorophosphate ion pf6-  
1348 SeF6 Selenium hexafluoride sef6  
1349 SF5Cl sulfur chloropentafluoride sf5cl  
1350 CF3CHF2 pentafluoroethane cf3chf2  
1351 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1352 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1353 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1354 CCl3CHCl2 pentachloroethane ccl3chcl2  
1355 C6H5F Fluorobenzene bzf  
1356 C6H5Cl chlorobenzene bzcl  
1357 C6H5Br bromobenzene bzbr  
1358 C8H6 Calicene calicene  
1359 C6H5CCH phenylacetylene phac  
1360 C8H6 benzocyclobutadiene bcbd  
1361 C8H6 Pentalene pentalene  
1362 C6H5CHCH2 Styrene styrene  
1363 C8H8 cubane cubane  
1364 C8H8 cyclooctatetraene cot  
1365 C6H5CH2CH3 Ethylbenzene etbz  
1366 CH3C6H4CH3 meta-xylene mxylene  
1367 CH3C6H4CH3 paraxylene pxylene  
1368 C8H14 Bicyclo[2.2.2]octane bico222  
1369 C8H16 cyclooctane cyclooct  
1370 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1371 C8H18 Octane c8h18  
1372 C6H5CN phenyl cyanide phcn  
1373 C6H12N2 Triethylenediamine ted  
1374 C4O4-- squarate dianion c4o4--  
1375 S4N4 Tetrasulfur tetranitride s4n4  
1376 S8 Octasulfur s8  
1377 C6H4O2 parabenzoquinone pbq  
1378 C4H4N2O2 Uracil uracil  
1379 C6H5OCH3 Anisole anisole  
1380 C5H9NO2 Proline proline  
1381 C6H12O2 Methyl pivalate c598981  
1382 C6H12O2 Hexanoic acid hexa  
1383 C4F4 tetrafluorcyclobutadiene c4f4  
1384 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1385 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1386 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1387 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1388 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1389 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1390 C2F6 hexafluoroethane c2f6  
1391 C2Cl6 hexachloroethane c2cl6  
1392 IF7 Iodine heptafluoride if7  
1393 C6H4F2 metadifluorobenzene mdfb  
1394 C6H4F2 orthodifluorobenzene odfb  
1395 C6H4F2 1,4-difluorobenzene pdfb  
1396 C6H4Cl2 1,2-dichlorobenzene dcb12  
1397 C6H4Cl2 1,3-dichlorobenzene dcb13  
1398 C6H4Cl2 1,4-dichlorobenzene dcb14  
1399 C6H5NO nitrosobenzene bzno  
1400 C9H8 Indene indene  
1401 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1402 C9H12 n-propyl benzene prbz  
1403 C9H20 Nonane nonane  
1404 C(CN)4 tetracyanomethane c5n4  
1405 C5H4N4 purine purine  
1406 C8H7N Indole indole  
1407 C3H3N3O3 cyanuric acid cyanuric  
1408 C6H5NO2 Nitrobenzene c6h5no2  
1409 C6H5COOH benzoic acid benzo  
1410 CH3COC6H5 acetophenone acph  
1411 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1412 C3F6 hexafluoropropene c3f6  
1413 C6H3F3 Benzene trifluoride 123 bzf3a  
1414 C8H18O 1-Octanol octanol  
1415 C10H8 Azulene azu  
1416 C10H8 naphthalene naph  
1417 C10H10 bullvalene bullv  
1418 C10H16 adamantane adamantane  
1419 C6N4 Tetracyanoethylene tcne  
1420 C6N4- tetracyanoethylene anion tcne-  
1421 C10H22 Decane decane  
1422 C4F6 perfluorobutadiene c4f6  
1423 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1424 C3F8 perfluoropropane c3f8  
1425 Fe(CO)5 Iron pentacarbonyl ipc  
1426 Fe(C5H5)2 ferrocene fecp2  
1427 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1428 C12H8 Acenaphthylene acenaph  
1429 C12H8 biphenylene biph  
1430 C12H10 biphenyl biphenyl  
1431 C12H10 Heptalene heptalene  
1432 C6H12O6 Inositol inositol  
1433 C6F6 hexafluorobenzene c6f6  
1434 S2F10 disulphur decafluoride s2f10  
1435 C13H10 Fluorene fluorene  
1436 C14H10 Anthracene anth  
1437 C14H10 Phenanthrene phenanthrene  
1438 C14H14 Bibenzyl bibenzyl  
1439 C12H10N2 azobenzene azobenzene  
1440 C6H5COC6H5 benzophenone benzophenone  
1441 C16H10 Pyrene pyrene  
1442 C18H12 Tetracene tetracene  
1443 C19H16 Triphenylmethane tpm  
1444 C24H12 Coronene coronene  
1445 C60 Buckminsterfullerene c60