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List of which calculations are completed at CCSD=FULL /aug-cc-pVDZ

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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 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na+ Sodium atom cation 1SKh
16 LiH Lithium Hydride 1ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH+ sodium hydride cation 2ΣC∞v
20 Be Beryllium atom 1SKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg+ Magnesium atom cation 2SKh
24 BeH beryllium monohydride 2ΣC∞v
25 MgH magnesium monohydride 2ΣC∞v
26 TiH Titanium monohydride 4ΦC∞v
27 ZnH+ Zinc, protonated   
28 BeH2 beryllium dihydride 1ΣgD∞h
29 BeH2+ Beryllium dihydride cation 2ΣC∞v
30 BeH2+ Beryllium dihydride cation 2ΣuD∞h
31 BeH2+ Beryllium dihydride cation   
32 MgH2 magnesium dihydride 1ΣgD∞h
33 B Boron atom 2PKh
34 B Boron atom 4PKh
35 B+ Boron atom cation 1SKh
36 Al Aluminum atom 2PKh
37 Al- Aluminum atom anion 3PKh
38 Al+ Aluminum atom cation 1SKh
39 Sc Scandium atom 2DKh
40 Sc+ Scandium cation 3DKh
41 Ga Gallium atom 2P 
42 Ga- Gallium atom anion 3POh
43 Ga+ Gallium atom cation 1S 
44 BH Boron monohydride 1ΣC∞v
45 BH Boron monohydride 3ΠC∞v
46 BH- boron monohydride anion 4ΣC∞v
47 ScH Scandium monohydride 1ΣC∞v
48 ScH+ Scandium monohydride cation 2ΣC∞v
49 GaH Gallium monohydride 1ΣC∞v
50 GaH+ Gallium monohydride cation 2ΣC∞v
51 BH2- boron dihydride anion 3B1C2v
52 BH2- boron dihydride anion 1A1C2v
53 BH2+ Boron dihydride cation 1ΣgD∞h
54 BH3 boron trihydride 1A1'D3h
55 BH3+ boron trihydride cation 2B2C2v
56 BH3+ boron trihydride cation  C2v
57 AlH3 aluminum trihydride 1A1'D3h
58 AlH3- aluminum trihydride anion  C3v
59 ScH3 Scandium trihydride 1A1'D3h
60 ScH3 Scandium trihydride 1A1C3v
61 GaH3 Gallium trihydride 1A1'D3h
62 BH4 borohydride 2B2C2v
63 BH4- borohydride anion 1A1Td
64 C Carbon atom 3P0Kh
65 C Carbon atom 3P1Kh
66 C- Carbon atom anion 2DKh
67 C+ Carbon atom cation 2PKh
68 Si Silicon atom 3PKh
69 Si Silicon atom 1SKh
70 Si- Silicon atom anion 4SKh
71 Si+ Silicon atom cation 2PKh
72 Ge Germanium atom 3PKh
73 Ge- Germanium anion 4SKh
74 Ge+ Germanium cation 2PKh
75 CH Methylidyne 2Π1/2C∞v
76 SiH Silylidyne 2ΠC∞v
77 SiH- silicon monohydride anion 3ΣC∞v
78 SiH+ silicon monohydride cation 1ΣC∞v
79 GeH germylidene 2ΠC∞v
80 GeH+ Germaniun monohyrdide cation 1ΣC∞v
81 CH2 Methylene 3B1C2v
82 CH2 Methylene 3ΣGD∞h
83 CH2 Methylene 1A1C2v
84 CH2- methylene anion 2B1C2v
85 CH2+ methylene cation 2A1C2v
86 CH2+ methylene cation 2ΠD∞h
87 SiH2 silicon dihydride 1A1C2v
88 SiH2 silicon dihydride 3B1C2v
89 GeH2 germylene 1A1C2v
90 GeH2- germylene anion 2B1C2v
91 CH3 Methyl radical 2A1D3h
92 CH3- methyl anion 1A1C3v
93 CH3+ methyl cation 1A1'D3h
94 SiH3 Silyl radical 2A1C3v
95 SiH3+ Silyl cation 1A1'D3h
96 GeH3 Germyl radical 2A1C3v
97 GeH3+ germyl cation 1A1'D3h
98 CD4 methane-d4 1A1Td
99 CH2D2 methane-d2 1A1C2v
100 CH3D methane-d 1A1C3v
101 CH4 Methane 1A1Td
102 CH4- Methane anion 2A1Td
103 CH4- Methane anion 2A1C3v
104 CHD3 methane-d3 1A1C3v
105 SiH2D2 silane-d2   
106 SiH4 Silane 1A1Td
107 GeH4 Germane 1A1Td
108 SiH5+ Silane, protonated   
109 N Nitrogen atom 4SKh
110 N Nitrogen atom 2DKh
111 N+ Nitrogen atom cation 3PKh
112 P Phosphorus atom 4SKh
113 V Vanadium atom 4FKh
114 V+ Vanadium atom cation 5DKh
115 As Arsenic atomic 4SKh
116 As- Arsenic anion 3PKh
117 As+ Arsenic cation 3PKh
118 PH phosphorus monohydride 3Σ-C∞v
119 AsH Arsenic monohydride 3ΣC∞v
120 AsH Arsenic monohydride 1ΣC∞v
121 AsH+ Arsenic monohydride cation 2ΠC∞v
122 NH2 Amino radical 2B1C2v
123 NH2+ Amino cation 3B1C2v
124 NH2+ Amino cation 1A1C2v
125 AsH2+ Arsenic dihydride cation 1A1C2v
126 NH3 Ammonia 1A1C3v
127 NH3- Ammonia anion 2A1C3v
128 NH3+ ammonia cation 2A2"D3h
129 PH3 Phosphine 1A1C3v
130 PH3+ Phosphine cation 2A1C3v
131 AsH3 Arsine 1A1C3v
132 AsH3+ Arsine cation 2A1C3v
133 AsH4+ Arsonium   
134 NH4 Ammonium radical   
135 NH4+ ammonium cation 1A1Td
136 PH4 Phosphoranyl radical   
137 PH4+ phosphonium cation   
138 O Oxygen atom 3SKh
139 O+ Oxygen atom cation 4SKh
140 S Sulfur atom 3PKh
141 S Sulfur atom   
142 S- Sulfur atom anion 2PKh
143 S+ Sulfur atom cation 4SKh
144 Se Selenium atom 3PKh
145 Se- Selenium atom anion 2PKh
146 Se+ Selenium atom cation 4SKh
147 OH Hydroxyl radical 2ΠC∞v
148 OH- hydroxide anion 1ΣC∞v
149 OH+ hydoxyl cation 3ΣC∞v
150 HS Mercapto radical 2ΠC∞v
151 HS- mercapto anion 1ΣC∞v
152 HS+ sulfur monohydride cation 3ΣC∞v
153 CrH Chromium hydride 6ΣC∞v
154 CrH+ Chromium hydride cation 5ΣC∞v
155 HSe Selenium monohydride 2ΠC∞v
156 HSe- selenium monohydride anion 1ΣC∞v
157 HSe+ selenium monohydride cation 3ΣC∞v
158 H2O Water 1A1C2v
159 H2O- water anion 2A1C2v
160 H2O- water anion 2A'Cs
161 H2O+ water cation 2B1C2v
162 HDO Water-d1 1A1C2v
163 H2S Hydrogen sulfide 1A1C2v
164 H2S- Hydrogen sulfide anion 2A'Cs
165 H2S+ Hydrogen sulfide cation 2B1C2v
166 H2Se Hydrogen selenide 1A1C2v
167 H2Se+ Hydrogen selenide cation 2B1C2v
168 H3O+ hydronium cation 1A1C3v
169 H3S+ Sulfonium cation 1A1C3v
170 H3Se+ Hydrogen Selenide, protonated 1A1C3v
171 F Fluorine atom 2PKh
172 F- Fluorine atom anion 1SKh
173 F+ Fluorine atom cation 3SKh
174 F+ Fluorine atom cation 1DKh
175 Cl Chlorine atom 2PKh
176 Cl- Chlorine atom anion 1SKh
177 Cl+ Chlorine atom cation 3PKh
178 Cl+ Chlorine atom cation 1DKh
179 Br Bromine atom 2PKh
180 Br- Bromine atom anion 1SKh
181 Br+ Bromine atom cation 3PKh
182 HF Hydrogen fluoride 1ΣC∞v
183 HF- hydrogen fluoride anion 2ΣC∞v
184 HF+ hydrogen fluoride cation 2ΠC∞v
185 HCl Hydrogen chloride 1ΣC∞v
186 HCl- hydrogen chloride anion 2ΣC∞v
187 HCl+ hydrogen chloride cation 2ΠC∞v
188 HBr hydrogen bromide 1ΣC∞v
189 HBr- hydrogen bromide anion 2ΣC∞v
190 HBr+ hydrogen bromide cation 2ΠC∞v
191 H2Cl+ dihydrogen monochloride cation 1A1C2v
192 H2Br+ protonated hydrogen bromide 2A1C2v
193 Ne Neon atom 1SKh
194 Ne Neon atom   
195 Ne+ Neon atom cation 2PKh
196 Ar Argon atom 1SKh
197 Kr Krypton atom 1SKh
198 Kr+ Krypton cation 2PKh
199 HeLi+ Helium Lithium cation   
200 NeH neon hydrogen 2ΣC∞v
201 ArH+ Argon hydride cation 1ΣC∞v
202 KrH+ Protonated Krypton 1ΣC∞v
203 H2Ar H2 Ar dimer 1ΣC∞v
204 Li2 Lithium diatomic 1ΣgD∞v
205 NaLi lithium sodium 1ΣC∞v
206 Na2 Sodium diatomic 1ΣgD∞h
207 Na2- sodium diatomic anion 2ΣuD∞h
208 Na2+ sodium diatomic cation 2ΣgD∞h
209 Be2 Beryllium diatomic 1ΣgD∞h
210 Be2 Beryllium diatomic 3ΠgD∞h
211 BeMg Beryllium Magnesium 1ΣC∞v
212 Mg2 Magnesium diatomic 1ΣgD∞h
213 LiB Lithium boride 3ΠC∞v
214 LiAl Lithium Aluminum   
215 NaAl Sodium aluminum 1ΣC∞v
216 BeB Beryllium monoboride 2ΠC∞v
217 B2 Boron diatomic 3ΣgD∞h
218 B2 Boron diatomic 1ΣgD∞h
219 B2 Boron diatomic 5ΣuD∞h
220 B2+ Boron diatomic cation 2ΠD∞h
221 BAl Boron Aluminum 3ΣC∞v
222 BGa Boron Gallium 3ΣC∞v
223 AlGa Aluminum Gallium 3ΣC∞v
224 AlGa Aluminum Gallium 1ΣC∞v
225 Ga2 Gallium diatomic 3Piu 
226 HBBH Diborane(2) 3ΣGD∞h
227 LiBH4 Lithium borohydride 1A1C3v
228 B2H4 Diborane(4) D2d 1A1D2d
229 HBHHBH Diborane(4) C2V 1A1C2v
230 B2H6 Diborane 1AgD2h
231 B2H6+ Diborane cation   
232 Al2H6 dialane 1AGD2h
233 Ga2H6 digallane 1AGD2h
234 LiC Lithium Carbide 4ΣC∞v
235 BeC Beryllium Carbide 3Σ-C∞v
236 BeC Beryllium Carbide   
237 BC boron monocarbide 4Σ-C∞v
238 AlC Aluminum carbide 4ΣC∞v
239 BSi Boron silicide 4ΣC∞v
240 BSi Boron silicide 2ΣC∞v
241 C2 Carbon diatomic 1Σg+D∞h
242 C2 Carbon diatomic 3Σg- 
243 C2+ carbon diatomic cation 4ΣgD∞h
244 SiC silicon monocarbide 3ΣC∞v
245 SiC silicon monocarbide 1ΣC∞v
246 GeC Germanium monocarbide 1ΣC∞v
247 SiGe Silicon Germanium   
248 C2H Ethynyl radical 2ΣC∞v
249 C2H- Ethynyl anion 1ΣC∞v
250 C2H2 Acetylene 1ΣgD∞h
251 C2H2+ acetylene cation 2ΠuD∞h
252 C2H2+ acetylene cation   
253 CCH2 vinylidene 3B2C2v
254 H2CC- vinylidene anion   
255 HCCH- acetylene anion   
256 HCCH- acetylene anion   
257 Si2H2 disilyne   
258 Si2H2 disilyne   
259 Si2H2 disilyne   
260 Si2H2 disilyne   
261 CH3Li methyl lithium 1A1C3v
262 CH2BH methyleneborane 1A1C2v
263 C2H3 vinyl 2A'Cs
264 C2H3- vinyl anion 1A'Cs
265 C2H3+ vinyl cation 1A1C2V bridging H
266 C2H3+ vinyl cation 1A1C2V HCCH2
267 C2H4 Ethylene 1AgD2h
268 C2H4- Ethylene anion 2AgC2h
269 C2H4+ Ethylene cation 2B3D2
270 Si2H4 Disilene   
271 Si2H4 Disilene   
272 Si2H4 Disilene   
273 CH3BH2 methylborane 1A'Cs
274 C2H5 Ethyl radical 2A'Cs
275 C2H5- Ethyl anion 1A'Cs
276 C2H6 Ethane 1A1gD3d
277 C2H6 Ethane 1A1'D3h
278 Si2H6 disilane 1EuD3d
279 LiN Lithium Nitride 3ΣC∞v
280 LiP Lithium monophosphide   
281 LiP Lithium monophosphide   
282 BeN Beryllium mononitride 4ΣC∞v
283 BeN Beryllium mononitride 2ΠC∞v
284 BeN+ Beryllium mononitride cation 3ΣC∞v
285 BeN+ Beryllium mononitride cation 1ΣC∞v
286 MgN Magnesium Nitride   
287 MgN Magnesium Nitride   
288 BP Boron monophosphide 3ΠC∞v
289 BP Boron monophosphide 1ΣC∞v
290 AlP Aluminum monophosphide 3ΣC∞v
291 AlP Aluminum monophosphide 3ΠC∞v
292 AlP Aluminum monophosphide 1ΣC∞v
293 GaN Gallium mononitride 3ΠC∞v
294 GaN Gallium mononitride 1ΣC∞v
295 GaP Gallium monophosphide 3ΣC∞v
296 GaP Gallium monophosphide 1ΣC∞v
297 GaAs Gallium arsenide 3Π 
298 GaAs Gallium arsenide 1Σ 
299 BN boron nitride 3ΠC∞v
300 BN boron nitride 1ΣC∞v
301 CN Cyano radical 2ΣC∞v
302 CN- cyanide anion 1ΣC∞v
303 SiP Silicon monophosphide 2ΠC∞v
304 N2 Nitrogen diatomic 1ΣgD∞h
305 N2 Nitrogen diatomic   
306 N2- nitrogen diatomic anion 2ΠgD∞h
307 N2+ diatomic nitrogen cation 2ΣgD∞h
308 PN Phosphorus mononitride 1ΣC∞v
309 P2 Phosphorus diatomic 1ΣgD∞h
310 AsN Arsenic mononitride 1ΣC∞v
311 AsP Arsenic monophosphide 1ΣC∞v
312 HCN Hydrogen cyanide 1ΣC∞v
313 HCN+ hydrogen cyanide cation 2ΠC∞v
314 HNC+ hydrogen isocyanide cation   
315 HCP+ Phosphaethyne cation   
316 NNH+ Dinitrogen monohydride cation 1ΣC∞v
317 LiNH2 lithium amide   
318 HBNH Boranimine 1ΣC∞v
319 CNH2 Aminomethylidyne radical 2B2C2v
320 H2CN Dihydrogen cyanide radical 2B2C2v
321 HCNH methyleneazane 2A'CS cis
322 HCNH methyleneazane 2A'CS trans
323 H2NN Isodiazene   
324 N2H2 (E)-diazene 1AgC2h
325 N2H2 (Z)-Diazene 1A1C2v
326 N2H2+ trans-diazene cation 2AGC2h
327 CH2NH Methanimine 1A'Cs
328 CH2NH+ Methanimine cation   
329 CHNH2 aminomethylene   
330 CHNH2+ Aminocarbene cation   
331 CH2PH Phosphaethene 1A'Cs
332 BH2NH2 Boranamine   
333 CH2NH2+ methyleneamine cation 1A1C2v
334 N2H4 Hydrazine 1AC2
335 N2H4+ hydrazine cation 2AGC2h
336 CH3NH2 methyl amine 1A'Cs
337 CH3NH2+ methyl amine cation 2A'Cs
338 SiH3NH2 Silane, amino   
339 N2H5+ protonated hydrazine 1A'Cs
340 BH3PH3 borane phosphine   
341 BH3NH3 borane ammonia 1A1C3v
342 CH3NH3 methyl ammonium radical 2A1C3v
343 CH3PH3+ methyl phosphine, protonated 1A1C3v
344 NH3NH3 Ammonia Dimer 1AgC2h
345 NH3NH3 Ammonia Dimer 1A'Cs
346 N2H7+ ammonia ammonium dimer   
347 LiO lithium oxide 2ΣC∞v
348 LiS Lithium monosulfide 2ΠC∞v
349 LiS+ Lithium sulfide cation 3ΣC∞v
350 NaO sodium monoxide 2ΣC∞v
351 NaS Sodium sulfide 2ΠC∞v
352 LiSe Lithium monoselenide   
353 BeO beryllium oxide 1ΣC∞v
354 BeO+ Beryllium monoxide cation 2ΠC∞v
355 BO boron monoxide 2ΣC∞v
356 ScO Scandium monoxide 2ΣC∞v
357 GaO Gallium monoxide 2ΣC∞v
358 GaS Gallium monosulfide   
359 CO Carbon monoxide 1ΣC∞v
360 CO- carbon monoxide anion 2ΠC∞v
361 CO+ carbon monoxide cation 2ΣC∞v
362 SiO Silicon monoxide 1ΣC∞v
363 SiS silicon monosulfide 1ΣC∞v
364 TiO Titanium monoxide 3ΔC∞v
365 CSe Carbon monoselenide 1ΣC∞v
366 GeO Germanium monoxide 1ΣC∞v
367 GeO+ Germanium monoxide cation 2ΣC∞v
368 GeS Germanium monosulfide 1ΣC∞v
369 SiSe Silicon Monoselenide   
370 SiSe+ Silicon Monoselenide cation   
371 GeSe Germanium monoselenide   
372 NO Nitric oxide 2ΠC∞v
373 NO- nitric oxide anion 3ΣC∞v
374 NO+ nitric oxide cation 1ΣC∞v
375 NS Mononitrogen monosulfide 2ΠC∞v
376 NS- nitrogen sulfide anion 3ΣC∞v
377 PO Phosphorus monoxide 2ΠC∞v
378 PS phosphorus sulfide 2ΣC∞v
379 VO Vanadium monoxide 4Σ- 
380 NSe Nitrogen monoselenide 2ΠC∞v
381 AsS Arsenic monosulfide 2ΠC∞v
382 PSe Phosphorus monoselenide 2ΠC∞v
383 AsSe Arsenic monoselenide 2ΠC∞v
384 O2 Oxygen diatomic 3ΣgD∞h
385 O2 Oxygen diatomic 1ΔgD∞h
386 O2- oxygen diatomic anion 2ΠD∞h
387 O2-- dioxygen dianion   
388 O2+ diatomic oxygen cation 2ΠgD∞h
389 SO Sulfur monoxide 3ΣC∞v
390 SO Sulfur monoxide 1ΣC∞v
391 SO+ sulfur monoxide cation 2ΠC∞v
392 S2 Sulfur diatomic 3ΣgD∞h
393 SeO Selenium monoxide 3ΣC∞v
394 Se2 Selenium diatomic 3ΣgD∞h
395 LiOH lithium hydroxide 1ΣC∞v
396 BeOH beryllium monohydroxide 2A'Cs
397 BeOH beryllium monohydroxide 2ΣC∞v
398 HBO Boron hydride oxide 1ΣC∞v
399 HBS hydrogen boron sulfide 1ΣC∞v
400 COH Hydroxymethylidyne   
401 COH+ Carbon Monoxide, protonated 1ΣC∞v
402 HCO Formyl radical 2A'Cs
403 HCO- formyl anion 1A'Cs
404 HCO+ Formyl cation 1ΣC∞v
405 HNO Nitrosyl hydride 1A'Cs
406 HNO+ Nitrosyl hydride cation 2A'Cs
407 NOH Hydroxyimidogen 3A"Cs
408 NOH+ O-protonated nitric oxide 2A'Cs
409 HO2 Hydroperoxy radical 2A"Cs
410 HO2+ Hydroperoxy cation 3A"Cs
411 HSO+ Sulfur Monoxide, S-protonated   
412 SOH Sulfur Hydroxide   
413 SOH+ Sulfur Monoxide, protonated   
414 HS2 Thiosulfeno radical 2A"Cs
415 H2CO Formaldehyde 1A1C2v
416 H2CO- formaldehyde anion 2A'Cs
417 H2CO- formaldehyde anion   
418 H2CO+ formaldehyde cation 2B2C2v
419 HOCH hydroxycarbene 1A'CS trans
420 HOCH hydroxycarbene 1A'CS cis
421 H2CS Thioformaldehyde 1A1C2v
422 H2CS- thioformaldehyde anion   
423 H2CS- thioformaldehyde anion   
424 H2CS+ thioformaldehyde cation 2B2C2v
425 H2CSe Selenoformaldehyde   
426 H2NO nitroxide 2B1C2v
427 H2NO nitroxide 2A'Cs
428 H2O2 Hydrogen peroxide 1AC2
429 H2O2 Hydrogen peroxide 1AgC2h
430 H2O2+ Hydrogen peroxide cation 2BgC2h
431 H2O2+ Hydrogen peroxide cation 2A1C2v
432 H2OO water oxide   
433 HOSH hydrogen thioperoxide   
434 H2S2 Disulfane 1AC2
435 H2S2+ hydrogen disulfide cation 2BgC2h
436 H2Se2 hydrogen diselenide   
437 CH2OH Hydroxymethyl radical 2AC1
438 CH2OH+ hydroxymethyl cation 1A'Cs
439 CH3O- methoxy anion 1A1C3v
440 CH3O+ Methoxy cation 3A1C3v
441 H2CSH+ Thioformaldehyde, protonated 1A'Cs
442 NH2OH hydroxylamine 1A'Cs
443 NH2OH+ Hydroxylamine cation   
444 NH3O Ammonia Oxide 1A1C3v
445 H2POH Phosphinous acid 1A1'CS trans
446 H2POH Phosphinous acid 1A1'CS cis
447 H3PO Phosphine oxide 1A1C3v
448 NH2SH Thiohydroxylamine   
449 NH2SH Thiohydroxylamine   
450 NH3S sulfidoazane   
451 CH3OH Methyl alcohol 1A'Cs
452 CH3OH- Methyl alcohol anion 2A'Cs
453 CH3OH- Methyl alcohol anion 2A'CS eclipsed
454 CH3OH+ Methyl alcohol cation 2A"Cs
455 CH3OH+ Methyl alcohol cation 2AC1
456 CH3SH Methanethiol 1A'Cs
457 CH3SH+ Methanethiol cation 2A"Cs
458 SiH3OH silanol   
459 NH2OH2+ protonated hydroxylamine   
460 NH3OH+ N-protonated hydroxylamine   
461 H2OH2O water dimer 1A'Cs
462 CH3SH2+ protonated methylsulfide 1A'Cs
463 H5O2+ Dihydroxonium ion 1AC2
464 LiF lithium fluoride 1ΣC∞v
465 LiCl lithium chloride 1ΣC∞v
466 NaF sodium fluoride 1ΣC∞v
467 NaF+ sodium fluoride cation 2ΣC∞v
468 NaCl Sodium Chloride 1ΣC∞v
469 LiBr Lithium Bromide 1ΣC∞v
470 LiF+ lithium fluoride cation 2ΠC∞v
471 BeF- Beryllium monofluoride anion 1ΣC∞v
472 MgF+ magnesium fluoride cation 1ΣC∞v
473 TiCl Titanium Monochloride 4ΣC∞v
474 ZnF Zinc monofluoride 2ΣC∞v
475 BF Boron monofluoride 1ΣC∞v
476 AlF Aluminum monofluoride 1Σ+C∞v
477 AlCl Aluminum monochloride 1ΣC∞v
478 ScF Scandium monofluoride 1ΣC∞v
479 BBr Boron monobromide 1ΣC∞v
480 GaF Gallium monofluoride 1ΣC∞v
481 GaF+ Gallium monofluoride cation 2ΣC∞v
482 AlBr Aluminum monobromide   
483 GaCl Gallium monochloride 1ΣGC∞v
484 GaCl+ Gallium monochloride cation 2ΣC∞v
485 GaBr Gallium monobromide   
486 CF Fluoromethylidyne 2ΠC∞v
487 SiF silicon monofluoride 2ΠC∞v
488 SiF- silicon monofluoride anion 3ΣC∞v
489 SiF+ silicon monofluoride cation 1ΣC∞v
490 SiCl Clorosilylidyne 2ΠC∞v
491 CBr Carbon monobromide 2ΠC∞v
492 GeF Germanium monofluoride 2ΠC∞v
493 GeF+ Germanium monofluoride cation 1ΣC∞v
494 GeCl Germanium monochloride 2ΠC∞v
495 GeCl+ Germanium monochloride cation   
496 SiBr Silicon monobromide 2ΠC∞v
497 SiBr+ Silicon monobromide cation   
498 NCl nitrogen monochloride 3ΣC∞v
499 AsF Arsenic monofluoride 3ΣC∞v
500 AsF Arsenic monofluoride 1ΔC∞v
501 NBr nitrogen monobromide 3Σ-C∞v
502 AsCl Arsenic monochloride 3ΣC∞v
503 PBr Phosphorus monobromide   
504 FO Oxygen monofluoride 2ΠC∞v
505 ClO Monochlorine monoxide 2ΠC∞v
506 ClO+ chlorine monoxide cation 3ΣC∞v
507 SF Monosulfur monofluoride 2ΠC∞v
508 SF+ sulfur monofluoride cation 3ΣC∞v
509 SCl sulfur monochloride 2ΠC∞v
510 SCl+ sulfur monochloride cation 3ΣgC∞v
511 BrO Bromine monoxide 2ΠC∞v
512 BrO- Bromine monoxide anion 1ΣC∞v
513 BrO+ Bromine monoxide cation   
514 SeF Selenium monofluoride 2ΠC∞v
515 SBr Sulfur monobromide radical   
516 SBr+ Sulfur monobromide cation   
517 SeCl Selenium monochloride 2ΠC∞v
518 SeBr Selenium monobromide   
519 BrCl Bromine monochloride 1ΣC∞v
520 F2 Fluorine diatomic 1ΣgD∞h
521 F2- flourine diatomic anion 2ΣuD∞h
522 F2+ flourine diatomic cation 2ΠgD∞h
523 ClF Chlorine monofluoride 1Σ+C∞v
524 ClF+ clorine monofluoride cation 2ΠC∞v
525 Cl2 Chlorine diatomic 1ΣgD∞h
526 Cl2- chlorine diatomic anion 2ΣuD∞h
527 Cl2+ chlorine diatomic cation 2ΠgD∞h
528 BrF Bromine monofluoride 1ΣC∞v
529 Br2 Bromine diatomic 1ΣgD∞h
530 Br2- bromine diatomic anion 2ΣuD∞h
531 Br2+ bromine diatomic cation 2ΠgD∞h
532 HCF Fluoromethylene 1A'Cs
533 HCF Fluoromethylene 3A"Cs
534 HCCl Chloromethylene 1A'Cs
535 HCCl Chloromethylene 3A"Cs
536 HSiF fluorosilylene   
537 HSiCl Chlorosilylene   
538 HSiBr monobromosilylene   
539 HOF Hypofluorous acid 1A'Cs
540 HOCl hypochlorous acid 1A'Cs
541 HOCl+ hypochlorous acid cation   
542 HOBr Hypobromous acid 1A'Cs
543 HOBr+ Hypobromous acid cation 2A"Cs
544 F2H+ Fluorine, protonated 1A'Cs
545 ClFH+ Chlorine fluoride, F-protonated   
546 FClH+ Chlorine fluoride, Cl-protonated   
547 Cl2H+ Chlorine, protonated 1A'Cs
548 CH2Br bromomethyl radical   
549 CH2F fluoromethyl radical 2ACs
550 CH2F+ fluoromethyl cation   
551 CH2Cl+ chloromethyl cation   
552 CH2Cl chloromethyl radical 2A'Cs
553 CH2Cl chloromethyl radical 2B1C2v
554 NH2Cl chloramine 1A'Cs
555 CH3F+ methyl fluoride cation   
556 CD3F methylfluoride-d3 1A1C3v
557 CH3F Methyl fluoride 1A1C3v
558 CD3Cl methyl chloride d3 1A1C3v
559 CH3Cl Methyl chloride 1A1C3v
560 SiH3F monofluorosilane 1A1C3v
561 SiH3Cl chlorosilane 1A1C1
562 CH3Br methyl bromide 1A1C3v
563 GeH3F monofluorogermane   
564 GeH3Cl monochlorogermane   
565 SiH3Br bromosilane 1A1C3v
566 NH3Cl+ protonated monochloroammonia   
567 CH3ClH+ methyl chloride, protonated   
568 NH4Cl Ammonium chloride   
569 LiNe+ Lithium Neon cation   
570 Ne2+ Neon diatomic cation 2ΣuD∞h
571 Ar2 Argon diatomic 1SgD∞h
572 Ar2+ Argon diatomic cation 2ΣuD∞h
573 Li3 Lithium trimer 2B2C2v
574 Li3+ Lithium trimer cation 1A1'D3h
575 C3 carbon trimer 1ΣgD∞h
576 C3 carbon trimer 1A1C2v
577 SiC2 Silicon dicarbide   
578 C3H3 cyclopropenyl radical 2A'Cs
579 C3H4 cyclopropene 1A1C2v
580 CH2CCH2 allene 1A1D2d
581 CH3CCH propyne 1A'C3v
582 C3H5 Allyl radical 2A2C2v
583 C3H5 Allyl radical 2A"Cs
584 CH3CHCH 1-propenyl radical 2A'Cs
585 C3H6 Cyclopropane 1A1'D3h
586 CH2CHCH3 Propene 1A'Cs
587 C3H7 n-Propyl radical 2A"C1
588 C3H7+ cyclopropane, protonated   
589 CH3CHCH3 Isopropyl radical 2AC2
590 CH3CHCH3+ Isopropyl cation 1AC2
591 C3H8 Propane 1A1C2v
592 LiCN lithium cyanide 1ΣC*V LiCN
593 LiCN lithium cyanide 1A'Cs
594 LiCN lithium cyanide 1ΣC*V LiNC
595 NaCN Sodium Cyanide 1ΣC∞v
596 NaCN Sodium Cyanide 1ACs
597 NaCN Sodium Cyanide 1ΣC∞v
598 ZnCN Zinc monocyanide 2ΣC∞v
599 ZnNC Zinc isocyanide 2ΣC∞v
600 AlCN Aluminum monocyanide   
601 AlNC Aluminum isocyanide   
602 CN2 3H-Diazirin-3-ylidene 1A1C2v
603 CNN Diazocarbene   
604 NCN Cyanoimidogen 3ΣgD∞h
605 NCN Cyanoimidogen 1ΣgD∞h
606 N3 azide radical 2ΠgD∞h
607 N3+ azide cation 3ΣgD∞h
608 N3+ azide cation 3ΣC∞v
609 HCCN cyanomethylene 3A"Cs
610 HCCN cyanomethylene 3ΣC∞v
611 HCCN cyanomethylene   
612 HN3 hydrogen azide 1A'Cs
613 HN3+ Hydrazoic acid cation   
614 HNCNH diiminomethane 1AC2
615 NH2CN cyanamide 1A1C2v
616 HNNNH+ 1,2-Triazadienium   
617 NH2NN+ hydrazoic acid, protonated   
618 CH3CN Acetonitrile 1A1C3v
619 CH3CN- acetonitrile anion 2EC3v
620 CH3CN- acetonitrile anion 2A'Cs
621 CHNCH2 2H-Azirine   
622 CHNHCH 1H-Azirine   
623 H2CCNH Ethenimine   
624 H2CNCH methyleneaminomethylene   
625 HCCNH2 Ethynamine   
626 HCNCH2+ 2H-Azirine cation   
627 HNCNH2+ diiminomethane, protonated 1A'Cs
628 NCNH3+ Cyanamide, protonated 1A1C3v
629 NH2CNH+ cyanamide, cn protonated   
630 NH3CN+ cyanamide, amine protonated   
631 CH2CHNH vinylazine 2A"CS cis
632 CH2CHNH vinylazine 2A"CS trans
633 CH3CHN methylmethaniminyl radical 2A'Cs
634 CH3CHNH ethanimine 1A'CS NH down
635 C2H5NH+ Protonated Aziridine 1A1C2v
636 C2H6N+ aziridine, protonated 1A1C2v
637 NH2CH2NH2 diaminomethane 1A1C2v
638 CH3CH2NH2 Ethylamine   
639 CH3PHCH3 dimethylphosphine 1A'Cs
640 (CH3)2NH2+ dimethylammonium cation 1A1C2v
641 CH3CH2NH3+ ethylamine, protonated 1A'Cs
642 Li2O dilithium oxide 1ΣgD∞h
643 Li2S dilithium sulfide 1ΣGD∞h
644 Li2S dilithium sulfide 1A1C2v
645 Na2O disodium monoxide 1ΣgLinear
646 Na2O disodium monoxide 1A1C2v
647 Na2S Sodium sulfide   
648 Na2S Sodium sulfide   
649 LiO2 Lithium dioxide   
650 NaO2 Sodium superoxide   
651 CCO Dicarbon monoxide 3ΣC∞v
652 CCO Dicarbon monoxide 1ΠC∞v
653 NCO isocyanato radical 2ΠC∞v
654 N2O Nitrous oxide 1ΣC∞v
655 N2O- Nitrous oxide anion 2A'Cs
656 NNS Nitrogen sulfide 1ΣC∞v
657 PPO Phosphorus oxide phosphide 1ΣC∞v
658 CO2 Carbon dioxide 1ΣgD∞h
659 CO2+ Carbon dioxide cation 2ΠC∞v
660 OCS Carbonyl sulfide 1ΣC∞v
661 CS2 Carbon disulfide 1ΣgD∞h
662 CS2- Carbon disulfide anion 2A1C2v
663 TiO2 Titanium dioxide 1A1C2v
664 SiS2 Silicon disulfide 1ΣGD∞h
665 GeO2 Germanium dioxide 1ΣgD∞h
666 OCSe Carbonyl selenide 1ΣC∞v
667 SCSe Carbon sulfide selenide   
668 GeS2 Germanium disulfide 1ΣGD∞h
669 CSe2 Carbon diselenide 1A1D∞h
670 NO2 Nitrogen dioxide 2A1C2v
671 NO2+ Nitrogen dioxide cation 1ΣGD∞h
672 NSO sulfinyl amidogen   
673 SNO Nitrogen oxide sulfide   
674 AsO2 Aresenic dioxide 2A1C2v
675 O3 Ozone 1A1Cs
676 SO2 Sulfur dioxide 1A1C2v
677 SSO Disulfur monoxide 1A'Cs
678 S3 Sulfur trimer 1A1C2v
679 S3 Sulfur trimer   
680 S3+ Sulfur trimer cation 2B2C2v
681 SeO2 Selenium dioxide 1A1C2v
682 SeO2+ Selenium dioxide cation 2A1C2v
683 HCCO ketenyl radical 2ΠC∞v
684 HCCO ketenyl radical 2A"Cs
685 HCNO fulminic acid 1ΣC∞v
686 HCNO fulminic acid 1A'Cs
687 HNCS Isothiocyanic acid   
688 HSCN thiocyanic acid 1A'Cs
689 HNNO+ Nitrous oxide, N-protonated 1A'Cs
690 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
691 HCOO formate neutral radical 2A'Cs
692 HOCO Hydrocarboxyl radical 1A'cis
693 HOCO Hydrocarboxyl radical 1A'trans
694 O3H+ protonated ozone 1A'Cs
695 O3H+ protonated ozone   
696 SO2H+ protonated sulfur dioxide 1A'Cs
697 C2H2O Oxirene 1A1C2v
698 CH2CO Ketene 1A1C2v
699 CH2CS Thioketene   
700 Be(OH)2 Beryllium hydroxide   
701 NH2NO Nitrosamide 1AC1
702 H2COO Dioxymethyl radical 2A'Cs
703 H2COO+ dioxymethyl cation 2A'Cs
704 HCOOH Formic acid 1A'Cs
705 HCOOH Formic acid   
706 H2O3 Hydrogen trioxide 1AC2
707 HSSSH trisulfane 1A'Cs
708 NaOCH3 Sodium methoxide 1A1C3v
709 CH2BOH hydroxy(methylene)borane 1A'Cs
710 BH3CO Borane carbonyl 1A1C3v
711 CH3BO Borane, methyloxo- 1A1C3v
712 CH2COH+ ketene, protonated   
713 CH2NOH formaldoxime 1A'Cs
714 CH3NO nitrosomethane 1A'Cs
715 CHONH2 formamide 1A'Planar
716 CHONH2 formamide 1ANon-Planar
717 CNOH3 1,2-oxaziridine 1AC1
718 HOCHNH hydroxymethylimine 1A'CS H all up
719 HOCHNH hydroxymethylimine 1A'CS OH down
720 HOCHNH hydroxymethylimine 1A'CS CH up
721 NHCHSH Methanimidothioic acid   
722 C2H4O Ethylene oxide 1A1C2v
723 C2H4O+ ethylene oxide cation   
724 CH3CHO Acetaldehyde 1A'Cs
725 CH3CHO+ acetaldehyde cation   
726 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
727 C2H4S Thiirane 1A1C2v
728 CH2CHSH Ethenethiol   
729 CH3CHS Thioacetaldehyde 1A'C1
730 H2CONH2+ protonated formamide 1A'Cs
731 NH2CHOH+ Formamide, O-protonated   
732 CH2(OH)2 methanediol 1AC2
733 CH3SSH Hydrogen methyl disulfide   
734 HSCH2SH Methanedithiol   
735 C2H4OH+ ethylene oxide, protonated 1A'Cs
736 CH3CHOH 1-hydroxy-ethyl radical 2AC1
737 CH3CHOH+ acetaldehyde, protonated 1A'Cs
738 NH2CH2OH aminomethanol   
739 CH3CH2SH ethanethiol 1A'Cs
740 CH3CH2SH ethanethiol 1AC1
741 CH3SCH3 Dimethyl sulfide 1A1C2v
742 CH3SCH3+ dimethyl sulfide cation   
743 CH3SeCH3 dimethylselenide 1A1C2v
744 CuF2 Copper difluoride 2ΠgD∞h
745 CNF iso cyanogen fluoride 1ΣC∞v
746 BrCN Cyanogen bromide 1ΣC∞v
747 FBO Boron monofluoride monoxide   
748 BeF2 Beryllium fluoride 1ΣgD∞h
749 MgF2 Magnesium fluoride 1ΣgD∞h
750 BeCl2 Beryllium chloride 1ΣgD∞h
751 BeBr2 Beryllium bromide   
752 FCO Carbonyl fluoride 2A'Cs
753 FCO+ Carbonyl fluoride cation 1ΣC∞v
754 ClCO carbonyl monochloride 2A'Cs
755 BF2 Boron difluoride radical 2A1C2v
756 FNO Nitrosyl fluoride 1A'Cs
757 ClNO Nitrosyl chloride 1A'Cs
758 FNS Thionitrosyl fluoride 1A'Cs
759 FSN Thiazyl fluoride 1A'Cs
760 OPCl Phosphorus oxychloride   
761 CF2 Difluoromethylene 1A1D∞h
762 CFCl chlorofluoromethylene 1A'Cs
763 SiF2 Silicon difluoride 1A1C2v
764 SiF2+ Silicon difluoride cation 2A1C2v
765 GeF2 Germanium difluoride 1A1C2v
766 GeCl2 Germanium dichloride 1A1C2v
767 CBr2 dibromomethylene 1A1C2v
768 CBr2 dibromomethylene 3B1C2v
769 FOO+ Fluorine dioxide cation   
770 OClO Chlorine dioxide 2B1D∞h
771 OClO- Chlorine dioxide anion 1A'Cs
772 ClSO Sulfur chloride oxide 2A"Cs
773 BrOO Bromine dioxide   
774 OBrO Bromine dioxide radical 2B1C2v
775 PF2 Phosphorus difluoride   
776 PF2+ Phosphorus difluoride cation   
777 FClO chlorosyl fluoride 1A'Cs
778 ClOF Chlorine hypofluorite 1A'Cs
779 SF2 sulfur difluoride 1A1C2v
780 SF2- sulfur difluoride anion 2A'Cs
781 SF2- sulfur difluoride anion 2ΠD∞h
782 SCl2 Sulfur dichloride 1A1C2v
783 SeF2 Selenium difluoride   
784 SeCl2 Selenium Dichloride   
785 SBr2 Sulfur dibromide   
786 SeBr2 Selenium dibromide   
787 F3- trifluoride anion 1ΣgD∞h
788 Cl3- trichloride anion 1ΣgD∞h
789 Br3- tribromide anion   
790 SFCl Sulfur chloride fluoride   
791 HCCF Fluoroacetylene 1ΣC∞v
792 HCCCl Chloroacetylene 1ΣC∞v
793 HCCBr bromoacetylene 1ΣC∞v
794 HFCO+ formyl fluoride cation 2A'Cs
795 CHCl2 dichloromethyl radical 2B1C2v
796 CHCl2 dichloromethyl radical 2A'Cs
797 CHF2 difluoromethyl radical 2ACs
798 CHF2+ difluoromethyl cation   
799 CHFCl Chlorofluoromethyl radical   
800 CHFCl+ Chlorofluoromethyl cation   
801 CHCl2+ dichloromethyl cation   
802 CHBr2 dibromomethyl radical   
803 NHF2 difluoramine   
804 NHCl2 dichloroamine   
805 CH2F2 Methane, difluoro- 1A1C2v
806 SiH2F2 difluorosilane   
807 CH2Cl2 Methylene chloride 1A1C2v
808 CH2BrF Methane, bromofluoro- 1A'Cs
809 CH2BrCl Methane, bromochloro- 1A'Cs
810 CH2Br2 dibromomethane 1A1C2v
811 SiH2Cl2 dichlorosilane 1A1C2v
812 CH3MgBr Methyl Magnesium Bromide   
813 CH2CHF Ethene, fluoro- 1A'Cs
814 CH2FOH fluoromethanol   
815 CH2CH2Cl 2-chloroethyl radical 2A'Cs
816 CHClCH3 1-chloroethyl radical 2AC1
817 C2H5Br Ethyl bromide 1A'Cs
818 KrF2 Krypton difluoride 1ΣGD∞h
819 B4H10 Tetraborane(10) 1A1C2v
820 C4 Carbon tetramer 3ΣgD∞h
821 C4 Carbon tetramer   
822 C4H2 Diacetylene 1ΣgD∞h
823 C4H2+ diacetlyene cation 2ΠgD∞h
824 C4H4 cyclobutadiene 1AgD2h
825 C4H4 Tetrahedrane   
826 C4H6 1-Methylcyclopropene 1AC1
827 CHCCH2CH3 1-Butyne 1A'Cs
828 C4H8 methylcyclopropane 1A'Cs
829 CH2CHCH2CH3 1-Butene 1AC1
830 CH3CH2CH2CH3 Butane 1AgAnti
831 CH3CH2CH2CH3 Butane 1AGauche
832 Li3N trilithium nitride 1A'D3h
833 Li3N trilithium nitride 1A1C3v
834 C2N2 Cyanogen 1ΣgD∞h
835 As4 Arsenic tetramer 1A1Td
836 HCCCN+ Cyanoacetylene cation 2ΠC∞v
837 H2CNCN cyanamide, methylene   
838 HNCCNH Ethenediimine   
839 C3H3N+ acrylonitrile cation 2A"Cs
840 CH3N3 methyl azide 1A'Cs
841 NH2CCNH2 Diaminoacetylene 1AC2
842 NH2CH2CN Aminoacetonitrile 1A'Cs
843 CH3NHN2+ methyl azide, protonated 1AC1
844 C2H5CN ethyl cyanide 1A'Cs
845 C4H6 Bicyclo[1.1.0]butane 1A1C2v
846 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
847 H2NCHCHNH2 diaminoethylene   
848 CH7N3 triaminomethane   
849 C4H8 cyclobutane 1A1D2d
850 NH2CH2CH2CH3 1-Propanamine 1A'Cs
851 P(CH3)3 trimethylphosphine 1A1C3v
852 N(SiH3)3 trisilylamine   
853 (CH3)3NH+ protonated trimethyl amine   
854 C3H7NH3+ n-propylamine, protonated 1A'Cs
855 C3O Tricarbon monoxide 1ΣC∞v
856 ONNO NO dimer 1Agtrans C2H
857 ONNO NO dimer 1A1cis C2V
858 S2N2 Disulfur dinitride 1AGD2h
859 CS3-- Carbonotrithioate   
860 NO3- nitrate anion 1A1'D3h
861 NO3+ nitrogen trioxide cation 1A1C2v
862 SO3 Sulfur trioxide 1A1'D3h
863 SO3-- Sulfate dianion   
864 SeO3 selenium trioxide 1A1'D3h
865 S4 Sulfur tetramer   
866 S4 Sulfur tetramer   
867 S4 Sulfur tetramer   
868 HNO3 Nitric acid 1A'Cs
869 NH2NO2 nitramide 1A'Cs
870 C3H2O Propadienal   
871 C3H2O Propadienal   
872 C2H2O2 Ethanedial 1AgC2h
873 H2SO3 Sulfurous acid 1A'Cs
874 CH3NCO methylisocyante   
875 HOCH2CN cyanomethanol   
876 CH3NO2 Methane, nitro- 1A'Cs
877 NH2COOH Carbamic acid 1A'Cs
878 NH2COOH Carbamic acid 1AC1
879 H3AlO3 Aluminum hydroxide   
880 CH2CHCHO Acrolein 1A'Cs
881 CH2CHCHO Acrolein   
882 NH2CONH2 Urea 1AC2
883 NH2CONH2 Urea 1A'Cs
884 NH2CONH2 Urea 1A1C2v
885 NH2COOH2+ Carbamic acid, O-protonated 1AC1
886 NH3COOH+ protonated Carbamic acid 1A'Cs
887 CH3COCH2 Acetonyl radical 2A"Cs
888 CH2C(OH)NH2 1-amino vinyl alchohol   
889 CH3C(OH)=NH Ethaninidic acid   
890 CH3CHNOH Acetaldoxime 1A'CS cis
891 HCONHCH3 N-methylformamide 1A'CS cis
892 HCONHCH3 N-methylformamide 1A'CS trans
893 CH3CSNH2 Ethanethioamide   
894 CH5N2O+ urea, N-protonated 1A'Cs
895 H2NCOHNH2+ urea, protonated 1A'Cs
896 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
897 C3H5OH Cyclopropanol 1AC1
898 C3H6O 2-Propen-1-ol 1AC1
899 C3H6O Acetone enol 1A'Cs
900 C3H6O Oxetane 1A1C2v
901 C3H6O Oxetane 1A'Cs
902 CH3CH2CHO Propanal 1A'Cs
903 CH3COCH3- acetone anion 2A'Cs
904 CH3CSCH3 Thioacetone 1A1C2v
905 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
906 C3H7OH 1-Propanol   
907 CH3OC2H5 Ethane, methoxy- 1A'Cs
908 Li2F2 Lithium fluoride dimer   
909 FNO2 Nitryl fluoride 1A1C2v
910 FONO Nitrosyl hypofluorite 1A'CS cis
911 ClONO chlorine nitrite 1A'CS cis
912 CF2O Carbonic difluoride 1A1C2v
913 CF2O+ Carbonic difluoride cation   
914 Cl2CS Thiophosgene 1A1C2v
915 BF3 Borane, trifluoro- 1A'D3h
916 BF3+ boron trifluoride cation 2B2C2v
917 BF3+ boron trifluoride cation   
918 AlF3 Aluminum trifluoride 1A1'D3h
919 BClF2 Chlorodifluoroborane   
920 BCl3 Borane, trichloro- 1A1'D3h
921 BCl3+ Boron Trichloride cation   
922 GaF3 Gallium trifluoride 1A1'D3h
923 GaCl3 Gallium trichloride 1A1'D3h
924 BBr3 Boron tribromide 1A1'D3h
925 CF3- Trifluoromethyl anion 1A1C3v
926 CF3+ Trifluoromethyl cation 1A1'D3h
927 CF2Cl difluorochloromethyl radical   
928 SiF3 Silicon trifluoride radical 2A1C3v
929 SiF3+ Silicon trifluoride cation 1A1'D3h
930 CFCl2 dichlorofluoromethyl radical   
931 CBr3 tribromomethyl radical   
932 ClO2F Chloryl fluoride 1A'Cs
933 F2SO Thionyl Fluoride 1A'Cs
934 ClOOCl Dichlorine dioxide 1AC2
935 S2F2 Thio-thionyl fluoride 1A'Cs
936 SSCl2 Thiothionyl chloride   
937 NF3 Nitrogen trifluoride 1A1C3v
938 NCl3 nitrogen trichloride 1A1C3v
939 AsCl3 Arsenous trichloride 1A1C3v
940 NBr3 Nitrogen Tribromide 1A1C3v
941 SF3 Sulfur trifluoride 2A'Cs
942 ClF3 Chlorine trifluoride 1A1'D3h
943 ClF3 Chlorine trifluoride 1A1C2v
944 HClO3 Chloric Acid 1A'Cs
945 HClO3 Chloric Acid 1AC1
946 CHF3 Methane, trifluoro- 1A1C3v
947 SiHF3 trifluorosilane   
948 CDCl3 trichloromethane-d 1A1C3v
949 CHBrF2 Methane, bromodifluoro- 1A'Cs
950 CHFClBr fluorochlorobromomethane 1AC1
951 CHBrCl2 Methane, bromodichloro- 1A'Cs
952 CHBr2F dibromofluoromethane   
953 NF3H+ protonated nitrogen trifluoride 1A1C3v
954 AsF3H+ Arsenic trifluoride, protonated   
955 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
956 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
957 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
958 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
959 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
960 C2H4F2 1,2-difluoroethane 1AgC2H anti
961 C2H4F2 1,2-difluoroethane 1AC2 gauche
962 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
963 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
964 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
965 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
966 CH2BrCH2Cl 1-bromo-2-chloroethane   
967 CH2BrCH2Cl 1-bromo-2-chloroethane   
968 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
969 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
970 CH2CHCH2F Allyl Fluoride   
971 CH2CHCH2F Allyl Fluoride   
972 CH3CHCHF trans-1-Fluoro-1-propene   
973 CH2FCH2OH 2-fluoroethanol   
974 CH2ClCH2OH 2-Chloroethanol 1A'Cs
975 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
976 CH2FCH2CH3 1-Fluoropropane 1A'Cs
977 CH2FCH2CH3 1-Fluoropropane   
978 CH3CHFCH3 2-Fluoropropane 1A'Cs
979 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
980 B5H9 pentaborane9   
981 C5H4 pentatetraene   
982 C5H5 cyclopentadienyl radical 2B1C2v
983 C5H6 Propellane 1A1D3h
984 C5H8 Bicyclo[1.1.1]pentane   
985 C5H8 Ethenylcyclopropane 1A'Cs
986 CH2N4 1H-Tetrazole 1A'Cs
987 C3H3N2 imidazolyl radical 2B1C2v
988 C3H3N2- imidizolyl anion 1A1C2v
989 C4H4N pyrrolide radical 2A2C2v
990 C4H4N- pyrrolide anion 1A1C2v
991 C3H4N2 1H-Imidazole 1A'Cs
992 C3H4N2 2H-Imidazole 1A1C2v
993 C3H4N2 4H-Imidazole 1A'Cs
994 C4H5N Pyrrole 1A1C2v
995 C4H6N+ pyrrole, alpha-protonated 1A'Cs
996 C4H6N+ pyrrole, beta-protonated 1A'Cs
997 C4H6N+ pyrrole, protonated 1A1C2v
998 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
999 CH3CH2CH2CN Butanenitrile 1A'Cs
1000 NC4H12+ tetramethyl ammonium cation 1A1Td
1001 C3O2 Carbon suboxide 1ΣGD∞h
1002 B2O3 diboron trioxide   
1003 B2O3 diboron trioxide   
1004 MgCO3 Magnesium Carbonate 1A1C2v
1005 BeCO3 Beryllium Carbonate 1A1C2v
1006 ONONO Nitrosyl nitrite 1A1C2v
1007 HOONO2 peroxy nitric acid 1AC1
1008 HSO4- bisulfate anion 1A'Cs
1009 C3H2O2 Propiolic acid 1A'Cs
1010 CHOOCHO diformyl ether   
1011 C3H3NO Isoxazole 1A'Cs
1012 C3H3NO Oxazole 1A'Cs
1013 C3H3NS Thiazole   
1014 CH3COCCH 3-butyn-2-one 1A'Cs
1015 C4H4Se selenophene   
1016 C2H4O3 1,2,3-trioxolane 1A'Cs
1017 CH3OCH2CN Methoxyacetonitrile 1A'Cs
1018 CH3OCH2CN Methoxyacetonitrile 1AC1
1019 CH3SO2NH2 methanesulfonamide 1A'Cs
1020 CH2CHOCHCH2 Vinyl ether 1AC1
1021 CH2CHSCHCH2 Divinyl sulfide   
1022 HCOOC2H5 Ethyl formate 1A'Cs
1023 C2H6O2S Dimethyl sulfone 1A1C2v
1024 C4H8S Thiophene, tetrahydro- 1AC1
1025 C4H10O Methyl propyl ether 1AC1
1026 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
1027 C4H9SH 1-Butanethiol   
1028 BrONO2 Bromine nitrate 1A'Cs
1029 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1030 CF2Cl2 difluorodichloromethane 1A1C2v
1031 TiF4 Titanium tetrafluoride 1A1Td
1032 CF3Br Bromotrifluoromethane 1A1C3v
1033 GeF4 Germanium tetrafluoride 1A1Td
1034 CBrCl2F bromodichlorofluoromethane   
1035 CBr2ClF dibromochlorofluoromethane   
1036 CBr2Cl2 dibromodichloromethane 1A1C2v
1037 CBr3Cl tribromochloromethane 1A1C3v
1038 ClOF3 Chlorine trifluoride oxide 1A'Cs
1039 SF4 Sulfur tetrafluoride 1A1C2v
1040 SeF4 Selenium tetrafluoride   
1041 SCl4 Sulfur tetrachloride   
1042 CF3OH trifluoromethanol 1A'Cs
1043 CH2ClCCCl 1,3-dichloropropyne   
1044 CHCl2CCH 3,3-dichloropropyne   
1045 CHCl2CHO dichloroacetaldehyde   
1046 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1047 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
1048 SiH3CCl3 (trichloromethyl)silane 1A1C3v
1049 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
1050 CH2FCH2CH2F 1,3-difluoropropane   
1051 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
1052 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
1053 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1054 C2H2N2O Furazan   
1055 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
1056 NH3BF3 Amminetrifluoroboron 1A1C3v
1057 C6H2 hexatriyne 1ΣgD∞h
1058 C6H5- phenyl anion 1A1C2v
1059 C6H6 Prismane   
1060 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1061 C6H6 Benzvalene 1A1C2v
1062 C6H6 Dewar Benzene   
1063 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1064 C6H6 Trimethylenecycopropane 1A'D3h
1065 C6H7+ benzene, protonated 1A1C2v
1066 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1067 C6H10 1,5-Hexadiene 1AgC2
1068 C6H10 3-Hexyne 1A1C2v
1069 C6H12 hex-1-ene 1A'Cs
1070 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1071 C4H2N2 Fumaronitrile 1AgC2h
1072 C5H6N+ Pyridinium 1A1C2v
1073 Na2CO3 Sodium Carbonate 1A1C2v
1074 MgSO4 Magnesium Sulfate 1A1C2v
1075 C3H2O3 vinylene carbonate   
1076 C2H2O4 Oxalic Acid 1AgC2h
1077 C2H4N2S2 Ethanedithioamide 1AGC2h
1078 C2H4CO3 Ethylene carbonate 1A1C2v
1079 C2H4CO3 Ethylene carbonate 1AC2
1080 C5H6O 2H-Pyran   
1081 C5H6O Pentadienal   
1082 C4H6O2 γ–Butyrolactone 1AC1
1083 C3H6O3 1,3,5-Trioxane 1A1C1
1084 C3H6S3 1,3,5-Trithiane 1A1C3v
1085 C5H8O Cyclopentanone 1AC2
1086 C5H8O Methyl cyclopropyl ketone 1A'Cs
1087 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1088 C4H8O2 Ethyl acetate 1A'Cs
1089 C5H10O 2-methylbutyraldehyde 1AC1
1090 C5H10O 3-Pentanone 1A1C2v
1091 C4F2 difluorobutadiyne   
1092 B2Cl4 Diboron tetrachloride 1A1D2
1093 C2ClF3 Ethene, chlorotrifluoro-   
1094 CF2CCl2 difluorodichloroethylene 1A1C2v
1095 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1096 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1097 C2Br4 tetrabromoethene   
1098 CF3OF Trifluoromethylhypofluorite 1A'Cs
1099 SiF5- silicon pentafluoride anion   
1100 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1101 PF5 Phosphorus pentafluoride 1A1'D3h
1102 SF5+ pentafluoro sulfur cation 1A1'D3h
1103 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1104 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
1105 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1106 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1107 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1108 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1109 C4H3ClO Furan, 2-chloro 1A'Cs
1110 C4H3ClO Furan,3-chloro 1A'Cs
1111 C4H8O2 Butanoic acid 1AC1
1112 C7H7 cycloheptatrienyl radical 2A2C2v
1113 CH(CN)3 tricyanomethane   
1114 C6H6O 2,5-Cyclohexadienone 1A1C2v
1115 HO2CCHNH2CH2OH Serine 1AC1
1116 C5H8O2 Acetylacetone 1AC2
1117 C7H10 Norbornene   
1118 C6H12O Oxepane   
1119 F2CCCF2 tetrafluoroallene   
1120 CF3COO- trifluoro acetate anion 1A'Cs
1121 PF6 Hexafluorophosphate neutral 2B2C2v
1122 PF6- Hexafluorophosphate ion 1A1GOh
1123 SF6 Sulfur Hexafluoride 1A1GOh
1124 SF5Cl sulfur chloropentafluoride 1A1C4v
1125 CF3CHF2 pentafluoroethane 1A'Cs
1126 C6H12N2 Triethylenediamine 1A1D3
1127 S4N4 Tetrasulfur tetranitride   
1128 C6H5CHO benzaldehyde 1A'Cs
1129 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1130 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1131 C2Cl6 hexachloroethane 1A1gD3d
1132 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1133 C6H5NO nitrosobenzene 1A'Cs
1134 C3F6 hexafluoropropene   
1135 C8H18O 1-Octanol   
1136 C10H8 Azulene 1A1C2v
1137 C10H10 bullvalene   
1138 C6H5COC6H5 benzophenone 1AC2

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 Na- Sodium atom anion na-  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 LiH- lithium hydride anion lih-  
18 NaH- sodium hydride anion nah-  
19 KH Potassium hydride kh  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Be- Beryllium atom anion be-  
23 Mg- Magnesium atom anion mg-  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 BeH- berylium monohydride anion beh-  
31 BeH+ beryllium monohydride cation beh+  
32 MgH- magnesium monohydride anion mgh-  
33 MgH+ magnesium monohydride cation mgh+  
34 CaH Calcium monohydride cah  
35 CaH+ Calcium monohydride cation cah+  
36 ZnH Zinc monohydride znh  
37 CaH2 Calcium Hydride cah2  
38 ZnH2 Zinc hydride znh2  
39 B- Boron atom anion b-  
40 BH- boron monohydride anion bh-  
41 BH+ boron monohydride cation bh+  
42 AlH aluminum monohydride alh  
43 AlH- aluminum monohydride anion alh-  
44 AlH+ aluminum monohydride cation alh+  
45 BH2 boron dihydride bh2  
46 AlH2 aluminum dihydride alh2  
47 AlH2- aluminum dihydride anion alh2-  
48 AlH2+ aluminum dihydride cation alh2+  
49 BH3- boron trihydride anion bh3-  
50 AlH3+ aluminum trihydride cation alh3+  
51 AlH4- Aluminum tetrahydride anion alh4-  
52 C- Carbon atom anion c-  
53 Ti Titanium atom ti  
54 Ti- Titanium atom anion ti-  
55 Ti+ Titanium atom cation ti+  
56 Sn Tin atom sn  
57 Sn+ Tin cation sn+  
58 CH- methylidyne anion ch-  
59 CH+ Methylidyne cation ch+  
60 SiH2- silicon dihydride anion sih2-  
61 SiH2+ silicon dihydride cation sih2+  
62 SiH3- Silyl anion sih3-  
63 CH4+ Methane cation ch4+  
64 SiH4+ Silane cation sih4+  
65 SnH4 Stannane snh4  
66 N- Nitrogen atom anion n-  
67 P- Phosphorus atom anion p-  
68 P+ Phosphorus atom cation p+  
69 Sb Antimony atom sb  
70 NH Imidogen nh  
71 NH- Imidogen anion nh-  
72 NH+ imidogen cation nh+  
73 PH- phosphorus monohydride anion ph-  
74 PH+ phosphorus monohydride cation ph+  
75 SbH Antimony monohydride sbh  
76 ND2 Amidogen-d2 nd2  
77 NH2- amino anion nh2-  
78 PH2 Phosphino radical ph2  
79 PH2- Phosphino anion ph2-  
80 PH2+ Phosphino cation ph2+  
81 AsH2 Arsenic dihydride ash2  
82 ND3 Ammonia-d3 nd3  
83 SbH3 Stibine sbh3  
84 O- Oxygen atom anion o-  
85 Cr Chromium atom cr  
86 Te Tellurium atom te  
87 Te+ Tellurium atom cation te+  
88 DO Hydroxyl-d od  
89 DS Mercapto-d ds  
90 TeH Telluryl radical teh  
91 D2O Deuterium oxide d2o  
92 D2S Hydrogen sulfide-d2 d2s  
93 H2Te Hydrogen Telluride h2te  
94 Mn Manganese atom mn  
95 I Iodine atom iodine  
96 I- Iodine atom anion iodine-  
97 I+ Iodine atom cation iodine+  
98 DF Hydrofluoric acid-d df  
99 DCl Hydrochloric acid-d dcl  
100 HI Hydrogen iodide hi  
101 HI+ Hydrogen iodide cation hi+  
102 H2F+ dihydrogen fluoride cation h2f+  
103 H2I+ Iodonium h2i+  
104 Ne- Neon atom anion ne-  
105 Ar- Argon atom anion ar-  
106 Ar+ Argon atom cation ar+  
107 Fe Iron atom fe  
108 Xe Xenon atom xe  
109 NeH+ neon hydrogen cation neh+  
110 XeH+ Xenon, protonated xeh+  
111 Co Cobalt atom cobalt  
112 Ni Nickel atom ni  
113 Li2- lithium diatomic anion li2-  
114 NaLi- lithium sodium anion lina-  
115 NaLi+ lithium sodium cation lina+  
116 LiK Lithium Potassium lik  
117 NaK Sodium Potassium nak  
118 NaK+ Sodium Potassium diatomic cation nak+  
119 K2 Potassium diatomic k2  
120 Cu2 Copper diatomic cu2  
121 LiBe Lithium Beryllium libe  
122 LiMg Lithium magnesium limg  
123 NaBe Sodium Beryllium nabe  
124 NaMg Sodium Magnesium namg  
125 Be2- Beryllium diatomic anion be2-  
126 Be2+ Beryllium diatomic cation be2+  
127 Mg2- magnesium diatomic anion mg2-  
128 Mg2+ magnesium diatomic cation mg2+  
129 Ca2 Calcium diatomic ca2  
130 B2- Boron diatomic anion b2-  
131 Al2 Aluminum diatomic al2  
132 Al2- aluminum diatomic anion al2-  
133 Al2+ aluminum diatomic cation al2+  
134 CaC Calcium monocarbide cac  
135 BC- boron monocarbide anion bc-  
136 BC+ boron monocarbide cation bc+  
137 C2- carbon diatomic anion c2-  
138 SiC- silicon monocarbide anion sic-  
139 SiC+ silicon monocarbide cation sic+  
140 Si2 Silicon diatomic si2  
141 Si2- silcon diatomic anion si2-  
142 Si2+ silcon diatomic cation si2+  
143 Ge2 Germanium diatomic ge2  
144 C2H+ Ethynyl cation c2h+  
145 ZnCH2 Zinc methylene znch2  
146 CCH2 vinylidene vinylidene  
147 CuCH3 monomethyl copper cuch3  
148 ZnCH3 Zinc monomethyl znch3  
149 CH3CH methylmethylene ch3ch  
150 CH2SiH2 silaethylene ch2sih2  
151 C2H5+ Ethyl cation c2h5+  
152 C2H6+ ethane cation c2h6+  
153 CH3SiH3 methyl silane ch3sih3  
154 GeH3CH3 methyl germane geh3ch3  
155 C2H7+ Ethane, protonated c2h7+  
156 LiN+ Lithium Nitride cation lin+  
157 BeN- Beryllium mononitride anion ben-  
158 BN- boron nitride anion bn-  
159 AlN- aluminum mononitride anion aln-  
160 AlN+ aluminum mononitride cation aln+  
161 BN+ boron nitride cation bn+  
162 AlN Aluminum nitride aln  
163 CN+ Cyano cation cn+  
164 CP Carbon monophosphide cp  
165 CP- carbon monophosphide anion cp-  
166 CP+ carbon monophosphide cation cp+  
167 SiN Silicon nitride sin  
168 SiN- silicon mononitride anion sin-  
169 SiN+ silicon mononitride cation sin+  
170 SiP- Silicon monophosphide anion sip-  
171 SiP+ Silicon monophosphide cation sip+  
172 TiN Titanium mononitride tin  
173 PN- phosphorus nitride anion pn-  
174 PN+ phosphorus nitride cation pn+  
175 P2- phosphorus diatomic anion p2-  
176 P2+ phosphorus diatomic cation p2+  
177 SbN Antimony nitride sbn  
178 As2 Arsenic diatomic as2  
179 HNB hydrogen nitrogen boron hnb  
180 HNC hydrogen isocyanide hnc  
181 HCN- Hydrogen cyanide anion hcn-  
182 HCP Phosphaethyne hcp  
183 NNH Dinitrogen monohydride nnh  
184 HPO Hydrogen phosphorus oxide hpo  
185 HPO+ Hydrogen phosphorus oxide cation hpo+  
186 CNH2+ N-protonated hydrogen isocyanide cnh2+  
187 H2CN+ hydrocyanonium cation h2cn+  
188 HCNH+ N-protonated HCN hcnh+  
189 P2H4 Diphosphine p2h4  
190 CH3PH2 Methyl phosphine ch3ph2  
191 CH3NH3+ protonated methylamine ch3nh3+  
192 LiO- lithium oxide anion lio-  
193 LiO+ lithium oxide cation lio+  
194 NaO- sodium oxide anion nao-  
195 NaO+ sodium oxide cation nao+  
196 KO Potassium monoxide ko  
197 KO+ Potassium monoxide cation ko+  
198 CuO Copper Monoxide cuo  
199 BeO- Beryllium monoxide anion beo-  
200 BeS beryllium sulfide bes  
201 MgO magnesium oxide mgo  
202 MgO- magnesium oxide anion mgo-  
203 MgO+ magnesium oxide cation mgo+  
204 CaO Calcium monoxide cao  
205 MgS magnesium sulfide mgs  
206 MgS- magnesium sulfide anion mgs-  
207 MgS+ magnesium sulfide cation mgs+  
208 CaS Calcium sulfide cas  
209 ZnO zinc monoxide zno  
210 ZnS Zinc sulfide zns  
211 BeS- Beryllium monosulfide anion bes-  
212 BeS+ Beryllium monosulfide cation bes+  
213 BO- boron monoxide anion bo-  
214 AlO Aluminum monoxide alo  
215 AlO- Aluminum monoxide anion alo-  
216 AlO+ aluminum monoxide cation alo+  
217 BS boron sulfide bs  
218 BS- boron monosulfide anion bs-  
219 BS+ boron monosulfide cation bs+  
220 AlS Aluminum sulfide als  
221 AlS- aluminum monosulfide anion als-  
222 AlS+ aluminum monosulfide cation als+  
223 BO+ boron monoxide cation bo+  
224 CS carbon monosulfide cs  
225 CS- carbon monosulfide anion cs-  
226 CS+ carbon monosulfide cation cs+  
227 SiO- silicon monoxide anion sio-  
228 SiO+ silicon monoxide cation sio+  
229 SiS- silicon monosulfide anion sis-  
230 SiS+ silicon monosulfide cation sis+  
231 CSe- Carbon monoselenide anion cse-  
232 CSe+ Carbon monoselenide cation cse+  
233 NS+ nitrogen sulfide cation ns+  
234 PO- phosphorus monoxide anion po-  
235 PO+ phosphorus monoxide cation po+  
236 PS- phosphorus monosulfide anion ps-  
237 PS+ phosphorus monosulfide cation ps+  
238 AsO Arsenic monoxide aso  
239 SO- sulfur monoxide anion so-  
240 S2- sulfur diatomic anion s2-  
241 S2+ sulfur diatomic cation s2+  
242 SeO- selenium monoxide anion seo-  
243 SeO+ selenium monoxide cation seo+  
244 SeS Selenium monosulfide ses  
245 SeS- selenium monosulfide anion ses-  
246 SeS+ selenium monosulfide cation ses+  
247 TeO Tellurium monoxide teo  
248 Se2- selenium diatomic anion se2-  
249 Se2+ selenium diatomic cation se2+  
250 Te2 Tellurium diatomic te2  
251 NaOH sodium hydroxide naoh  
252 KOH Potassium hydroxide koh  
253 MgOH magnesium hydroxide mgoh  
254 CaOH Calcium monohydroxide caoh  
255 HCS Thioformyl radical hcs  
256 HCS- Thioformyl anion hcs-  
257 HCS+ Thioformyl cation hcs+  
258 HNO- Nitrosyl hydride anion hno-  
259 HNS Sulfur imide hns  
260 HNS- Sulfur imide anion hns-  
261 HO2- Hydroperoxy anion ho2-  
262 CH3O Methoxy radical ch3o  
263 CH3S thiomethoxy ch3s  
264 H3O2+ hydrogen peroxide, protonated h3o2+  
265 CH3SeH Methane selenol ch3seh  
266 CH3OH2+ Methanol, protonated ch3oh2+  
267 H2ONH3 Water Ammonia Dimer h2onh3  
268 LiCl- lithium chloride anion licl-  
269 LiCl+ lithium chloride cation licl+  
270 NaF- sodium fluoride anion naf-  
271 KF Potassium Fluoride kf  
272 NaCl- sodium chloride anion nacl-  
273 NaCl+ sodium chloride cation nacl+  
274 KCl Potassium Chloride kcl  
275 CuF Copper monofluoride cuf  
276 LiBr- lithium bromide anion libr-  
277 LiBr+ lithium bromide cation libr+  
278 CuCl Copper monochloride cucl  
279 NaBr Sodium Bromide nabr  
280 NaBr- sodium bromide anion nabr-  
281 NaBr+ sodium bromide cation nabr+  
282 KBr Potassium Bromide kbr  
283 LiI Lithium Iodide lii  
284 NaI Sodium Iodide nai  
285 KI Potassium Iodide ki  
286 LiF- lithium fluoride anion lif-  
287 BeF Beryllium monofluoride bef  
288 BeF+ Beryllium monofluoride cation bef+  
289 BeCl beryllium monochloride becl  
290 MgF Magnesium monofluoride mgf  
291 MgF- magnesium fluoride anion mgf-  
292 CaF Calcium monofluoride caf  
293 MgCl magnesium monochloride mgcl  
294 MgCl- magnesium monochloride anion mgcl-  
295 MgCl+ magnesium monochloride cation mgcl+  
296 CaCl calcium monochloride cacl  
297 ZnF- Zinc monofluoride anion znf-  
298 ZnF+ Zinc monofluoride cation znf+  
299 ZnCl Zinc monochloride zncl  
300 CaBr Calcium monobromide cabr  
301 BeCl- beryllium monochloride anion becl-  
302 BeCl+ beryllium monochloride cation becl+  
303 BF- Boron monofluoride anion bf-  
304 BF+ Boron monofluoride cation bf+  
305 AlF- Aluminum monofluoride anion alf-  
306 AlF+ Aluminum monofluoride cation alf+  
307 BCl boron monochloride bcl  
308 BCl- boron monochloride anion bcl-  
309 BCl+ boron monochloride cation bcl+  
310 AlCl- aluminum monochloride anion alcl-  
311 AlCl+ aluminum monochloride cation alcl+  
312 AlI Aluminum monoiodide ali  
313 CF- carbon monofluoride anion cf-  
314 CF+ carbon monofluoride cation cf+  
315 CCl carbon monochloride ccl  
316 CCl- carbon monochloride anion ccl-  
317 CCl+ carbon monochloride cation ccl+  
318 SiCl- silicon monochloride anion sicl-  
319 SiCl+ silicon monochloride cation sicl+  
320 NF nitrogen fluoride nf  
321 NF- nitrogen monofluorine anion nf-  
322 NF+ nitrogen monofluoirde cation nf+  
323 NCl- nitrogen monochloride anion ncl-  
324 NCl+ nitrogen monochloride cation ncl+  
325 PF phosphorus monofluoride pf  
326 PF- phosphorus monofluoride anion pf-  
327 PF+ phosphorus monofluoride cation pf+  
328 PCl phosphorus chloride pcl  
329 PCl- phosphorus monochloride anion pcl-  
330 PCl+ phosphorus monochloride cation pcl+  
331 SbF Antimony monofluoride sbf  
332 SbCl Antimony monochloride sbcl  
333 FO- flourine oxide anion fo-  
334 FO+ fluorine monoxide cation fo+  
335 ClO- chlorine monoxide anion clo-  
336 SF- sulfur monofluoride anion sf-  
337 SCl- sulfur monochloride anion scl-  
338 IO Iodine monoxide io  
339 ClF- clorine monofluoride anion clf-  
340 BrF- bromine fluoride anion brf-  
341 BrF+ bromine fluoride cation brf+  
342 BrCl- bromine chloride anion brcl-  
343 BrCl+ bromine chloride cation brcl+  
344 IF Iodine monofluoride if  
345 ICl Iodine monochloride icl  
346 IBr Iodine monobromide ibr  
347 I2 Iodine diatomic i2  
348 I2+ Iodine diatomic cation i2+  
349 CHBr bromomethylene chbr  
350 DOCl Hypochlorous acid-d docl  
351 HOI Hypoiodous acid hoi  
352 FHF Hydrogen difluoride fhf  
353 FHF- Hydrogen difluoride anion fhf-  
354 NH2F monofluoroamine nh2f  
355 H2F2 Hydrogen fluoride dimer h2f2  
356 CH3Cl+ Methyl chloride cation ch3cl+  
357 CH3I methyl iodide ch3i  
358 SiH3I Silyl Iodide sih3i  
359 Ne2 Neon diatomic ne2  
360 C3+ carbon trimer cation c3+  
361 C3H3 Propargyl radical propargyl  
362 C3H3- Propargyl anion c3h3-  
363 C3H3+ cyclopropenyl cation cpr+  
364 C3H3+ Propargyl cation c3h3+  
365 C3H5+ Allyl cation allyl+  
366 Zn(CH3)2 dimethyl zinc dmz  
367 SiH2(CH3)2 dimethylsilane dms  
368 Si3H8 trisilane si3h8  
369 KCN Potassium cyanide kcn  
370 CuCN Copper cyanide cucn  
371 N3- azide anion n3-  
372 HCNN diazomethyl radical hcnn  
373 CH2N2 diazirine ch2n2  
374 CH2NN diazomethane ch2nn  
375 CH3CN+ Acetonitrile cation ch3cn+  
376 CH3NC methyl isocyanide ch3nc  
377 NHCHNH2 aminomethanimine cn2h4  
378 C2H5N Aziridine c2h5n  
379 CH2CHNH2 aminoethene aminoethene  
380 CH2NCH3 N-methylmethanimine nmm  
381 NH2BHNH2 diaminoborane nh2bhnh2  
382 CH3NHCH3 Dimethylamine ch3nhch3  
383 NH2CH2NH3+ diaminoethane, protonated pdam  
384 Li2O+ dilithium oxide cation li2o+  
385 CNO- fulminate cno-  
386 NCO- cyanate nco-  
387 SCN thiocyanato radical scn  
388 SCN- thiocyanide anion scn-  
389 BO2 Boron dioxide bo2  
390 BO2- Boron dioxide anion bo2-  
391 BO2+ Boron dioxide cation bo2+  
392 N2O+ Nitrous oxide cation n2o+  
393 CO2- Carbon dioxide anion co2-  
394 OCS+ Carbonyl sulfide cation cos+  
395 SiO2 silicon dioxide sio2  
396 CS2+ Carbon disulfide cation cs2+  
397 SCTe Carbon sulfide Telluride scte  
398 NO2- Nitrogen dioxide anion no2-  
399 PO2 Phosphorus dioxide po2  
400 PO2- Phosphorus dioxide anion po2-  
401 PO2+ Phosphorus dioxide cation po2+  
402 O3- Ozone anion o3-  
403 O3+ Ozone cation o3+  
404 SO2- Sulfur dioxide anion so2-  
405 SO2+ Sulfur dioxide cation so2+  
406 S3- Sulfur trimer anion s3-  
407 TeO2 Tellurium Dioxide teo2  
408 CS2H+ Carbon disulfide, protonated cs2h+  
409 HNCO Isocyanic acid hnco  
410 HOCN cyanic acid hocn  
411 HCO2- formate anion hco2-  
412 HNNO nitrosoazane hnno  
413 HOCO+ Hydrocarboxyl cation hoco+  
414 HNO2 Nitrous acid hno2  
415 HNO2+ nitrous acid cation hno2+  
416 CH2CO+ Ketene cation ch2co+  
417 HCCOH ethynol hccoh  
418 Mg(OH)2 Magnesium dihydroxide h2mgo2  
419 CH2O2 Dioxirane diox  
420 CH2CHO Vinyloxy radical ch2cho  
421 CH3CO Acetyl radical ch3co  
422 CH3CO- Acetyl anion ch3co-  
423 CH3CO+ acetyl cation ch3co+  
424 CHSNH2 thioformamide chsnh2  
425 CH2OOH CH2OOH radical ch2ooh  
426 CH3OO methylperoxy radical ch3oo  
427 CH3OO- methylperoxy anion ch3oo-  
428 CH3OO+ methylperoxy cation ch3oo+  
429 CH2CHOH ethenol ch2choh  
430 NH3CHO+ Formamide, N-Protonated nh3cho+  
431 CH3OOH Methyl peroxide ch3ooh  
432 H2OH2CO water formaldehyde dimer h2oh2co  
433 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
434 CH3CH2O Ethoxy radical ethoxy  
435 CH3OCH2 methoxymethyl radical ch3och2  
436 CH3CH2OH Ethanol etoh  
437 CH3OCH3 Dimethyl ether meome  
438 CH3OHH2O methanol water dimer ch3ohh2o  
439 H2OCH3OH water methanol dimer h2och3oh  
440 ZnF2 Zinc difluoride znf2  
441 FCN Cyanogen fluoride fcn  
442 ClCN chlorocyanogen clcn  
443 ICN Cyanogen iodide icn  
444 MgCl2 Magnesium dichloride mgcl2  
445 CaCl2 Calcium Chloride cacl2  
446 ZnCl2 Zinc dichloride zncl2  
447 CaBr2 Calcium dibromide cabr2  
448 CaF2 Calcium difluoride caf2  
449 BrNO Nitrosyl bromide brno  
450 INO Nitrosyl iodide ino  
451 CF2- Difluoromethylene anion cf2-  
452 CF2+ Difluoromethylene cation cf2+  
453 CCl2 dichloromethylene ccl2  
454 CCl2- dichloromethylene anion ccl2-  
455 CCl2+ dichloromethylene cation ccl2+  
456 SiCl2 Dichlorosilylene sicl2  
457 FOO Dioxygen monofluoride radical foo  
458 ClOO chloroperoxy radical cloo  
459 ClOO+ chloroperoxy cation cloo+  
460 OClO+ Chlorine dioxide cation oclo+  
461 ClS2 Sulfur chloride cls2  
462 NF2 Difluoroamino radical nf2  
463 NF2+ Difluoroamino cation nf2+  
464 F2O Difluorine monoxide f2o  
465 SF2+ sulfur difluoride cation sf2+  
466 Cl2O Dichlorine monoxide cl2o  
467 BrOCl Bromine hypochlorite brocl  
468 BrOBr Bromine oxide brobr  
469 I3- triiodide i3-  
470 HCCF+ fluoroacetylene cation hccf+  
471 HFCO formyl fluoride hfco  
472 COHCl Formyl chloride cohcl  
473 COHBr Formyl bromide cohbr  
474 BHF2 Difluoroborane bhf2  
475 BHCl2 Borane, dichloro- bhcl2  
476 HOClO Chlorous acid hoclo  
477 CH2FCl fluorochloromethane ch2fcl  
478 CH2FI fluoroiodomethane ch2fi  
479 CH2ClI chloroiodomethane ch2cli  
480 CH2BrI bromoiodomethane ch2bri  
481 CH2I2 Diiodomethane ch2i2  
482 CH2CHF+ fluoroethene cation ch2chf+  
483 C2H3Cl Ethene, chloro- ch2chcl  
484 C2H3Br vinyl bromide c2h3br  
485 C2H3I Vinyl iodide c2h3i  
486 CH3OCl methyl hypochlorite ch3ocl  
487 C2H5F fluoroethane c2h5f  
488 CH3CH2Cl Ethyl chloride c2h5cl  
489 CH3SiFH2 fluoromethylsilane ch3sifh2  
490 C2H5I Ethyl iodide c2h5i  
491 XeF2 Xenon difluoride xef2  
492 C4+ Carbon tetramer cation c4+  
493 C2H3CCH 1-Buten-3-yne c2h3cch  
494 H2CCCCH2 Butatriene h2cccch2  
495 C4H6 Cyclobutene c822355  
496 C4H6 Methylenecyclopropane c6142730  
497 CH2CCHCH3 1,2-Butadiene butad12  
498 CH2CHCHCH2 1,3-Butadiene c106990  
499 CH3CCCH3 2-Butyne c503173  
500 CH3CHCHCH2 methylallyl radical c4h7  
501 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
502 CH3CHCHCH3 2-Butene, (E)- bute2e  
503 CH3CHCHCH3 2-Butene, (Z)- bute2z  
504 B(CH3)3 trimethylborane bme3  
505 Al(CH3)3 trimethyl aluminum tma  
506 C(CH3)3 Tert-butyl radical tbutyl  
507 CH2CH(CH3)2 Isobutyl radical isobutyl  
508 CH3CHCH2CH3 2-Butyl radical butyl2  
509 CH3CH(CH3)CH3 Isobutane isobutane  
510 SiH(CH3)3 trimethylsilane trimsi  
511 C2N2+ Cyanogen cation c2n2+  
512 P4 Phosphorus tetramer p4  
513 HCCCN Cyanoacetylene hcccn  
514 C3H3N acrylonitrile ch2chcn  
515 CH5N3 Guanidine guanidine  
516 CH6N3+ guanidinium ch6n3+  
517 C3H7N Cyclopropylamine cpram  
518 C3H7N Azetidine azet  
519 C2H8N2 Ethylenediamine ethdiam  
520 CH3NHNHCH3 dimethyl hydrazine dmh  
521 CH3CH(NH2)CH3 2-Propanamine pram2  
522 N(CH3)3 Trimethylamine trimeam  
523 As(CH3)3 trimethyl arsine tmas  
524 Li2O2 dilithium dioxide li2o2  
525 K2O2 dipotassium dioxide k2o2  
526 B2O2 Diboron dioxide b2o2  
527 CO3-- carbonate co3--  
528 NO3 Nitrogen trioxide no3  
529 SO3- Sulfur trioxide anion so3-  
530 SO3+ Sulfur trioxide cation so3+  
531 TeO3 Tellurium trioxide teo3  
532 HCO3- bicarbonate anion hco3-  
533 HSO3 Hydroxysulfonyl radical hso3  
534 C2H2CO cyclopropenone c2h2co  
535 HCCCHO 2-propynal hcccho  
536 C2H2O2+ Ethanedial cation c2h2o2+  
537 H2CO3 Carbonic acid h2co3  
538 H2CS3 thiocarbonic acid h2cs3  
539 H2NO3+ Nitric Acid, Protonated h2no3+  
540 C2H3NO Nitrosoethylene c2h3no  
541 CH3COO- acetate anion ch3coo-  
542 CH3ONO Methyl nitrite ch3ono  
543 H3BO3 Boric acid h3bo3  
544 H3CO3+ carbonic acid, protonated h3co3+  
545 C3H4O 2-Propyn-1-ol c107197  
546 C3H4O allenol c9000071  
547 C3H4O Cyclopropanone cpone  
548 C3H4O Methylketene c6004440  
549 NH2CONH2+ Urea cation urea+  
550 NH2CSNH2 Thiourea thiourea  
551 C2H4O2 1,3-dioxetane c2h4o2  
552 CH3COOH Acetic acid ch3cooh  
553 CH3OCHO methyl formate ch3ocho  
554 CHOCH2OH hydroxy acetaldehyde haa  
555 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
556 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
557 HCOOHH2O Formic acid water dimer hcoohh2o  
558 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
559 CH3CONH2 Acetamide acetamide  
560 C2H5OO ethylperoxy radical c2h5oo  
561 C3H6O Propylene oxide prox  
562 CH3COCH3 Acetone acetone  
563 C3H6S Thietane thietane  
564 C3H6S Thiirane, methyl- methiirane  
565 C2H6O2 1,2-Ethanediol ethdiol  
566 CH3OOCH3 dimethylperoxide dmp  
567 CH3SOCH3 Dimethyl sulfoxide dmso  
568 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
569 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
570 CH3COHCH3+ acetone, protonated acetoneh+  
571 CH3CHOHCH3 Isopropyl alcohol isoproh  
572 C3H7SH 1-Propanethiol prsh  
573 CH3CHSHCH3 2-Propanethiol isoprsh  
574 CH3SCH2CH3 Ethane, (methylthio)- etsme  
575 H2OCH3OCH3 water dimethylether dimer h2och3och3  
576 Na2F2 Sodium Fluoride Dimer na2f2  
577 Na2Cl2 Disodium dichloride na2cl2  
578 C2F2 difluoroacetylene c2f2  
579 C2Cl2 dichloroacetylene c2cl2  
580 C2Cl2+ dichloroacetylene cation c2cl2+  
581 ClNO2 Nitryl chloride clno2  
582 BrONO Bromine nitrite brono  
583 N2F2 (Z)-Difluorodiazene n2f2_z  
584 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
585 COFCl Carbonic chloride fluoride cofcl  
586 CCl2O Phosgene cl2co  
587 COBr2 Carbonic dibromide cobr2  
588 BF3- Borane, trifluoro- anion bf3-  
589 AlF2Cl Aluminum chloride difluoride alclf2  
590 ScF3 Scandium trifluoride ScF3  
591 AlFCl2 Aluminum dichloride fluoride alcl2f  
592 AlCl3 Aluminum trichloride alcl3  
593 AlBr3 Aluminum Bromide albr3  
594 ClO3 Chlorine trioxide clo3  
595 ClO3- chlorate anion clo3-  
596 BrO3- Bromate anion bro3-  
597 CF3 Trifluoromethyl radical cf3  
598 CCl3 Trichloromethyl radical ccl3  
599 CCl3- Trichloromethyl anion ccl3-  
600 CCl3+ Trichloromethyl cation ccl3+  
601 SiCl3 trichlorosilyl radical sicl3  
602 SiCl3+ trichlorosilyl cation sicl3+  
603 FOOF Perfluoroperoxide foof  
604 FSSF Difluorodisulfane fssf  
605 SOCl2 thionyl chloride socl2  
606 SeOCl2 selenium oxychloride seocl2  
607 NF3- Nitrogen trifluoride anion nf3-  
608 NF3+ Nitrogen trifluoride cation nf3+  
609 PF3 Phosphorus trifluoride pf3  
610 AsF3 Arsenic trifluoride asf3  
611 PCl3 Phosphorus trichloride pcl3  
612 SbF3 Antimony Trifluoride sbf3  
613 SbCl3 Antimony Trichloride sbcl3  
614 PBr3 Phosphorus tribromide pbr3  
615 AsBr3 Arsenic tribromide asbr3  
616 NI3 Nitrogen triiodide ni3  
617 PI3 Phosphorus triiodide pi3  
618 ClSSCl Disulfur dichloride s2cl2  
619 BrF3 Bromine trifluoride brf3  
620 IF3 iodone trifluoride if3  
621 CHF2Cl difluorochloromethane chf2cl  
622 CHFCl2 fluorodichloromethane chfcl2  
623 CHCl3 Chloroform chcl3  
624 SiHCl3 Trichlorosilane sihcl3  
625 CHF2I difluoroiodomethane chf2i  
626 CHFClI fluorochloroiodomethane chfcli  
627 CHCl2I dichloroiodomethane chcl2i  
628 CHClBr2 Methane, dibromochloro- chclbr2  
629 CHBr3 bromoform chbr3  
630 CHI3 Iodoform chi3  
631 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
632 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
633 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
634 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
635 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
636 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
637 C2H2Br2 1,1-dibromoethene c2h2br2  
638 CH2FCHO Fluoroacetaldehyde ch2fcho  
639 CH3COF Acetyl fluoride ch3cof  
640 CH2ClCHO chloroacetaldehyde ch2clcho  
641 CH3COCl Acetyl Chloride ch3cocl  
642 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
643 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
644 CH2CFCH3 2-fluoropropene 2fpro  
645 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
646 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
647 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
648 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
649 CH3CH2CH2Br n-propyl bromide prbr  
650 CH3CHBrCH3 i-propyl bromide iprbr  
651 C3H9O+ trimethyl oxonium cation c3h9o+  
652 C5H5- cylopentadienyl anion c5h5-  
653 C5H6 1,3-Cyclopentadiene c542927  
654 C5H6 1-Buten-3-yne, 2-methyl- c78808  
655 C5H6 3-Penten-1-yne, (E)- c2004695  
656 C5H6 3-Penten-1-yne, (Z)- c1574409  
657 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
658 C5H6 Cyclopropylacetylene c6746947  
659 C5H7 1,3-pentadienyl radical pdyl  
660 C5H7 cyclopentenyl radical cpyl  
661 C5H8 1,2-Butadiene, 3-methyl- c598254  
662 C5H8 1,2-Pentadiene c591957  
663 C5H8 1,3-Butadiene, 2-methyl- c78795  
664 C5H8 1,3-Pentadiene, (E)- c2004708  
665 C5H8 1,3-Pentadiene, (Z)- c1574410  
666 C5H8 1,4-Pentadiene c591935  
667 C5H8 1-pentyne a1pentyne  
668 C5H8 2,3-Pentadiene c591968  
669 C5H8 Cyclobutane, methylene- c1120565  
670 C5H8 Cyclopentene c142290  
671 CH3CCCH2CH3 2-Pentyne 2pentyne  
672 C5H10 1-Butene, 2-methyl- c563462  
673 C5H10 2-Butene, 2-methyl- c513359  
674 C5H10 2-Pentene, (E)- c646048  
675 C5H10 2-Pentene, (Z)- c627203  
676 C5H10 Cyclopentane c287923  
677 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
678 CH2CHCH2CH2CH3 1-pentene pentene  
679 C5H11 2-Methylbut-2-yl radical c4348350  
680 C5H12 Butane, 2-methyl- buta2  
681 C5H12 Pentane pentane  
682 C5H12 Propane, 2,2-dimethyl- neopentane  
683 Si(CH3)4 tetramethylsilane tms  
684 N2O3 Dinitrogen trioxide n2o3  
685 C3H2N2 Malononitrile c3h2n2  
686 C2H3N3 1H-1,2,4-Triazole c288880  
687 C3H4N2 1H-Pyrazole 1hpyraz  
688 C4H5N (E)-2-Butenenitrile c627269  
689 C4H5N (Z)-2-Butenenitrile c1190767  
690 C4H5N 2H-pyrrole pyrrole2  
691 C4H5N 3H-pyrrole pyrrole3  
692 C4H5N Cyclopropanecarbonitrile c5500210  
693 CH2CHCH2CN Allylcyanide ch2chch2cn  
694 C3H6N2 3-Aminopropionitrile c151188  
695 C5H8 Bicyclo[2.1.0]pentane c185944  
696 C5H8 Spiropentane c157404  
697 C4H9N Cyclobutylamine cbam  
698 C4H9N Pyrrolidine pyrrolidine  
699 C3H10N2 1,2-Diaminopropane diampr12  
700 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
701 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
702 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
703 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
704 NH(C2H5)2 diethylamine dea  
705 C3O2+ Carbon suboxide cation c3o2+  
706 CaCO3 Calcium Carbonate caco3  
707 PO4--- phosphate po4---  
708 SO4-- sulfate so4--  
709 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
710 CHOCOOH oxo acetic acid oaa  
711 H2SO4 Sulfuric acid h2so4  
712 H2SeO4 Selenic acid h2seo4  
713 CH3C(O)OO acetyl peroxy radical ch3coo2  
714 CH3NO3 Methyl nitrate ch3no3  
715 H3PO4 Phosphoric Acid h3po4  
716 C4H4O Furan furan  
717 C4H4O+ Furan cation furan+  
718 C4H4S Thiophene furans  
719 C3H4O2 β–Propiolactone beta  
720 C3H4O2 2-Propenoic acid propenoic2  
721 C3H4O2 Methyl glyoxal megly  
722 C3H4O2 propanedial propanedial  
723 C3H4O2 propenalol propenalol  
724 HOCHCCHOH allenediol aldiol  
725 C2H4O3 trioxolane124 triox  
726 HOCH2COOH Hydroxyacetic acid hac  
727 CH2CHCONH2 Acrylamide c79061  
728 CH5N3S Hydrazinecarbothioamide c79196  
729 H2NCH2COOH Glycine glycine  
730 C4H6O cis-2-butenal butenal2c  
731 C4H6O Cyclobutanone cbutone  
732 C4H6O Furan, 2,3-dihydro- furan23h  
733 C4H6O Furan, 2,5-dihydro- furan25h  
734 CHOCHCHCH3 2-Butenal butenal2  
735 C4H6S Thiophene, 2,3-dihydro- thiop23h  
736 C4H6S Thiophene, 2,5-dihydro- thiop25h  
737 C2H6N2O Urea, methyl- c598505  
738 C3H6O2 1,3-Dioxolane dioxolane  
739 CH3CH2COOH Propanoic Acid propanoic  
740 CH3COOCH3 methyl acetate aame  
741 CH3SSSCH3 dimethyl trisulfide c2h6s3  
742 C3H7NO dimethylformamide dmf  
743 C3H7NO Propanamide propanam  
744 C2H3OC2H5 Ethene, ethoxy- c109922  
745 C4H8O Cyclobutanol c2919235  
746 C4H8O Furan, tetrahydro- thf  
747 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
748 CH3COCH2CH3 2-Butanone buta2one  
749 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
750 CHOCH2CH2CH3 Butanal butanal  
751 C3H8O2 1,3-Propanediol c504632  
752 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
753 C3H8O2 Methane, dimethoxy- c109875  
754 C3H8O2 Propylene glycol c57556  
755 C3H8S2 1,3-Propanedithiol c109808  
756 C4H10O 1-Butanol butanol1  
757 C4H10O 1-Propanol, 2-methyl- c78831  
758 C4H10O 2-Butanol, (.+/-.)- butanol2  
759 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
760 C4H10O Ethoxy ethane etoet  
761 C4H10O Propane, 2-methoxy- c598538  
762 C4H10O+ 1-Butanol cation butanol1+  
763 C2H5SC2H5 Diethyl sulfide etset  
764 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
765 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
766 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
767 FNO3 Fluorine nitrate fno3  
768 ClONO2 Chlorine nitrate clono2  
769 TiCl4 Titanium tetrachloride ticl4  
770 ClO4- perchlorate anion clo4-  
771 BF4- tetrafluoroboron anion bf4-  
772 ClFO3 Perchloryl fluoride clfo3  
773 SO2F2 Sulfuryl fluoride so2f2  
774 SO2Cl2 Sulfuryl chloride so2cl2  
775 F3NO Nitrogen trifluoride oxide f3no  
776 F3PO Phosphoryl fluoride pf3o  
777 Cl3PO Phosphoryl chloride pcl3o  
778 CF4 Carbon tetrafluoride cf4  
779 SiF4 Silicon tetrafluoride sif4  
780 CFCl3 Trichloromonofluoromethane cfcl3  
781 CCl4 Carbon tetrachloride ccl4  
782 CCl4+ Carbon tetrachloride cation ccl4+  
783 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
784 SiCl4 Silane, tetrachloro- sicl4  
785 CF3I trifluoroiodomethane cf3i  
786 CBrCl3 Methane, bromotrichloro- cbrcl3  
787 CBr2F2 Methane, dibromodifluoro- cbr2f2  
788 GeCl4 Germanium Tetrachloride gecl4  
789 CCl3I trichloroiodomethane ccl3i  
790 CFBr3 fluorotribromomethane cfbr3  
791 CFClBrI fluorochlorobromoiodomethane cfclbri  
792 CF2I2 difluorodiiodomethane cf2i2  
793 CBr4 Carbon tetrabromide cbr4  
794 CCl2I2 dichlorodiiodomethane ccl2i2  
795 SiBr4 Silicon tetrabromide sibr4  
796 CBr3I tribromoiododmethane cbr3i  
797 GeBr4 Germanium tetrabromide gebr4  
798 CI4 tetraiodomethane ci4  
799 SiI4 silicon tetraiodide sii4  
800 C2HF3 Trifluoroethylene c2hf3  
801 C2HF3+ Trifluoroethylene cation c2hf3+  
802 CHClCCl2 Trichloroethylene chclccl2  
803 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
804 HClO4 perchloric acid hclo4  
805 HSO3F Fluorosulfonic acid hso3f  
806 CHClCCHCl 1,3-dichloroallene chclcchcl  
807 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
808 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
809 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
810 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
811 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
812 SiCl3CH3 methyltrichlorosilane sicl3ch3  
813 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
814 NH3BCl3 Amminetrichloroboron nh3bcl3  
815 C3H5ClO Oxirane, (chloromethyl)- c106898  
816 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
817 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
818 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
819 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
820 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
821 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
822 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
823 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
824 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
825 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
826 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
827 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
828 C4H9F 1-fluorobutane butaf1  
829 CH3CHFCH2CH3 2-fluorobutane butaf2  
830 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
831 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
832 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
833 XeF4 Xenon tetrafluoride xef4  
834 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
835 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
836 C6H4 Benzyne benzyne  
837 C6H5 phenyl phenyl  
838 C6H6 2,4-Hexadiyne hexadiyne  
839 C6H6 3,4-Dimethylenecyclobutene cb34m  
840 C6H6 Benzene benzene  
841 C6H6+ Benzene cation c6h6+  
842 C6H8 (E)-hexa-1,3,5-triene c821078  
843 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
844 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
845 C6H8 1,3-Cyclohexadiene cyhexadiene13  
846 C6H8 1,4-Cyclohexadiene cyhexadiene14  
847 C6H8 3-Methylenecyclopentene c930267  
848 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
849 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
850 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
851 C6H10 1,3-Hexadiene, (E)- hexdi13e  
852 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
853 C6H10 1,4-Hexadiene, (E)- hexdi14t  
854 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
855 C6H10 1-Butyne, 3,3-dimethyl- c917920  
856 C6H10 1-Hexyne hexyne1  
857 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
858 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
859 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
860 C6H10 2-Hexyne c764352  
861 C6H10 cyclohexene cyclohexene  
862 C6H10 Cyclopentene, 1-methyl- c693890  
863 C6H10 Cyclopentene, 3-methyl- c1120623  
864 C6H10 Cyclopentene, 4-methyl- c1759815  
865 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
866 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
867 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
868 C6H12 (E)-2-Hexene e2hexene  
869 C6H12 (E)-3-methylpent-2-ene c616126  
870 C6H12 (E)-hex-3-ene e3hexene  
871 C6H12 (Z)-3-methylpent-2-ene c922623  
872 C6H12 (Z)-hex-2-ene z2hexene  
873 C6H12 (Z)-hex-3-ene z3hexene  
874 C6H12 2,3-dimethylbut-1-ene c563780  
875 C6H12 2,3-dimethyl-but-2-ene tmeet  
876 C6H12 3-methylenepentane c760214  
877 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
878 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
879 C6H12 Cyclohexane cyclohexane  
880 C6H12 Cyclopentane, methyl- c96377  
881 C6H12 Ethylcyclobutane c4806615  
882 C6H14 Butane, 2,2-dimethyl- buta22  
883 C6H14 Butane, 2,3-dimethyl- buta23  
884 C6H14 Hexane hexane  
885 C6H14 Pentane, 2-methyl- penta2  
886 C6H14 Pentane, 3-methyl- penta3  
887 C4N2 2-Butynedinitrile c4n2  
888 C2H2N4 sym-tetrazine ttz  
889 C3H3N3 1,3,5-Triazine triazine135  
890 CH3N5 5-Aminotetrazole c4418615  
891 C4H4N2 1,3-Diazine diazine13  
892 C4H4N2 Pyrazine pyrazine  
893 C4H4N2 Pyridazine pyridazine  
894 C4H4N2 Succinonitrile c110612  
895 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
896 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
897 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
898 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
899 C5H5N E-2,4-pentadienenitrile bdcn  
900 C5H5N Pyridine pyridine  
901 B3N3H6 borazine borazine  
902 C6H6 Fulvene fulvene  
903 C4H6N2 1H-Imidazole, 2-methyl- c693981  
904 C5H7N (E)-2-Pentenenitrile c26294984  
905 C5H7N (E)-3-Pentenenitrile c16529661  
906 C5H7N (Z)-2-Pentenenitrile c25899507  
907 C5H7N 1H-Pyrrole, 1-methyl- c96548  
908 C5H7N Cyclobutanecarbonitrile c4426113  
909 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
910 C5H9N Butanenitrile, 2-methyl- c18936179  
911 C5H9N Pentanenitrile c110598  
912 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
913 C6H10 Bicyclo[3.1.0]hexane c285585  
914 C5H11N Cyclopentanamine cypentam  
915 C5H11N Piperidine piper  
916 C4H12N2 1,2-Butanediamine c4426486  
917 C4H12N2 2-Methyl-1,2-propanediamine c811938  
918 Li2CO3 Lithium Carbonate li2co3  
919 C2O4-- oxalate anion c2o4  
920 N2O4 Dinitrogen tetroxide n2o4  
921 C2H3NO3 Oxamic acid oxamic  
922 C4H4O2 2(5H)-Furanone furanone  
923 C4H4O2 2-Oxetanone, 4-methylene- c674828  
924 C2H4N2O2 Oxalamide oxalamide  
925 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
926 C3H4S3 1,3-Dithiolane-2-thione c822388  
927 C2H4O4 Formic acid dimer fadimer  
928 C4H5NO 3-Methylisoxazole isox3m  
929 C4H5NO Isoxazole, 5-methyl- c5765446  
930 C4H5NS 4-Methylthiazole c693958  
931 C2H5NO3 Nitric acid, ethyl ester c625581  
932 C5H6O 2-methylfuran furan2m  
933 C5H6O 3-Methylfuran furan3m  
934 C5H6S Thiophene, 2-methyl- c554143  
935 C5H6S Thiophene, 3-methyl- c616444  
936 C4H6O2 2,3-Butanedione c431038  
937 C4H6O2 2-Propenoic acid, methyl ester c96333  
938 C4H6O2 Crotonic Acid crot  
939 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
940 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
941 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
942 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
943 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
944 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
945 C4H6OS Vinyl sulfoxide c1115157  
946 CH6N4S Carbonothioic dihydrazide thiacarb  
947 C2H6N2O2 (E)-Azodioxymethane c37765154  
948 C2H6N2O2 Dimethylnitroamine c4164287  
949 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
950 C2H6O3S Sulfurous acid, dimethyl ester c616422  
951 C4H7NO 2-Pyrrolidinone c616455  
952 C4H7NO Ethoxyacetonitrile etoaccn  
953 C4H7NO Methacrylamide c79390  
954 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
955 HCONH2CN2H4 formamide aminomethanimine dimer d13  
956 C3H7ONO Propyl nitrite prono  
957 CH3CH(CH3)ONO Isopropyl nitrite c541424  
958 CH3CH(NH2)COOH Alanine alanine  
959 CH3NHCH2COOH Sarcosine sarcosine  
960 NH2CH2CH2COOH β–alanine betaalanine  
961 NH2COOC2H5 Urethane urethane  
962 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
963 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
964 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
965 NH2CONHC2H5 Urea, ethyl- c625525  
966 C4H8O2 1,3-Dioxane dioxan13  
967 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
968 C4H8O2 1,4-Dioxane dioxan14  
969 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
970 C4H8OS s-Ethyl thioacetate c625605  
971 C3H8O3 1,2,3-Propanetriol glycerin  
972 C3H8O2S (Methylsulfonyl)ethane c594434  
973 C4H9NO Butanamide c541355  
974 C4H9NO Propanamide, 2-methyl- c563837  
975 C5H10O 2-Butanone, 3-methyl- c563804  
976 C5H10O 2H-Pyran, tetrahydro- c142687  
977 C5H10O 2-Pentanone mpk  
978 C5H10O Cyclopentanol c96413  
979 C5H10O Oxetane, 3,3-dimethyl- c6921353  
980 C5H10O Pentanal pal  
981 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
982 C5H10S 3-Ethylthio-1-propene c5296628  
983 C5H10S Cyclopentanethiol c1679078  
984 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
985 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
986 C4H10O2 1,1-Dimethoxyethane c534156  
987 C4H10O2 1,3-Butanediol budiol13  
988 C4H10O2 1,4-Butanediol budiol14  
989 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
990 C4H10OS Diethyl sulfoxide c70291  
991 C4H10S2 1,4-Butanedithiol budisl14  
992 C4H11NO Diethylhydroxylamine c3710847  
993 C5H12O 1-Butanol, 2-methyl- c137326  
994 C5H12O 1-Butanol, 3-methyl- c123513  
995 C5H12O 1-Pentanol pentanol1  
996 C5H12O 2-Butanol, 3-methyl- c598754  
997 C5H12O 2-Pentanol peol2  
998 C5H12O 3-Pentanol pentan3ol  
999 C5H12O Butane, 1-methoxy- meobu  
1000 C5H12O Propane, 1-ethoxy- proet  
1001 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1002 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1003 C5H12S 1-Butanethiol, 3-methyl- c541311  
1004 C5H12S 1-Pentanethiol c110667  
1005 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1006 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1007 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1008 C5H12S Butane, 1-(methylthio)- c628295  
1009 C5H12S Ethyl propyl sulfide c4110503  
1010 C5H12S Propane, 2-(ethylthio)- c5145993  
1011 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1012 ClCOClCO Oxalyl chloride oxcl  
1013 CF3CN Acetonitrile, trifluoro- cf3cn  
1014 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1015 B2F4 Diboron tetrafluoride b2f4  
1016 C2F4 Tetrafluoroethylene c2f4  
1017 C2F4+ Tetrafluoroethylene cation c2f4+  
1018 C2FCl3 fluorotrichloroethene c2fcl3  
1019 C2Cl4 Tetrachloroethylene c2cl4  
1020 AsF5 Arsenic pentafluoride asf5  
1021 PCl5 Phosphorus pentachloride pcl5  
1022 SF5 Sulfur pentafluoride sf5  
1023 SbCl5 Antimony pentachloride sbcl5  
1024 BrF5 bromine pentafluoride brf5  
1025 ClF5 chlorinepentafluoride clf5  
1026 IF5 pentafluoroiodine if5  
1027 CF3CHO trifluoroacetaldehyde cf3cho  
1028 CCl3CHO trichloroacetaldehyde ccl3cho  
1029 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1030 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1031 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1032 CF3COOH trifluoroacetic acid cf3cooh  
1033 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1034 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1035 C4H8Cl2 1,4-Dichlorobutane c110565  
1036 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1037 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1038 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1039 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1040 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1041 C5H11Cl Pentane, 1-chloro- pencl1  
1042 C6H5CH2 benzyl radical benzyl  
1043 C7H7+ cycloheptatrienyl cation c7h7+  
1044 C6H5CH3 toluene toluene  
1045 C7H8 cycloheptatriene cht  
1046 C7H8 Norbornadiene norbor  
1047 C7H8 Quadricyclane qucy  
1048 C7H12 Norbornane nor  
1049 C7H14 cycloheptane c7h14  
1050 C7H16 2-methylhexane 2mhex  
1051 C7H16 3-methylhexane hex3m  
1052 C7H16 heptane heptane  
1053 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1054 C6H7N 2-Methylpyridine mp  
1055 C6H5NH2 aniline aniline  
1056 C6H13N 2-Methylpiperidine pip2m  
1057 C6H13N cyclohexanamine cham  
1058 C6H15N triethylamine tea  
1059 N2O5 Dinitrogen pentoxide n2o5  
1060 C4H2O3 Maleic Anhydride malan  
1061 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1062 C5H4O2 furfural furfural  
1063 C6H5O phenoxy radical phenoxy  
1064 C5H5NO 2(1H)-Pyridinone c72762006  
1065 C5H5NO 2(3H)-Pyridinone c9000048  
1066 C5H5NO 2(5H)-Pyridinone c9000037  
1067 C5H5NO 2-Pyridinol c109104  
1068 C5H5NO 3(2H)-Pyridinone c9000004  
1069 C5H5NO 3(4H)-Pyridinone c9000026  
1070 C5H5NO 3(6H)-Pyridinone c9000015  
1071 C5H5NO 3-Pyridinol c109002  
1072 C5H5NO 4(1H)-Pryidinone c9000060  
1073 C5H5NO 4(3H)-Pryidinone c9000059  
1074 C5H5NO 4-Pyridinol c626642  
1075 C6H5OH phenol phenol  
1076 C6H6O 2,4-Cyclohexadienone c24599573  
1077 C6H5SH Benzenethiol phsh  
1078 C4H8O2S Sulfolane sulfolane  
1079 CH(C2H3)3 trivinyl methane tvm  
1080 C6H10O cyclohexanone chexo  
1081 C6H12O hexanal c6h12o  
1082 C3H7OC3H7 di-n-propyl ether propr  
1083 CF3COF trifluoroacetyl fluoride cf3cof  
1084 CF3COCl trifluoroacetyl chloride cf3cocl  
1085 SeF6 Selenium hexafluoride sef6  
1086 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1087 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1088 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1089 CCl3CHCl2 pentachloroethane ccl3chcl2  
1090 C6H5F Fluorobenzene bzf  
1091 C6H5Cl chlorobenzene bzcl  
1092 C6H5Br bromobenzene bzbr  
1093 C8H6 Calicene calicene  
1094 C6H5CCH phenylacetylene phac  
1095 C8H6 benzocyclobutadiene bcbd  
1096 C8H6 Pentalene pentalene  
1097 C6H5CHCH2 Styrene styrene  
1098 C8H8 cubane cubane  
1099 C8H8 cyclooctatetraene cot  
1100 C6H5CH2CH3 Ethylbenzene etbz  
1101 CH3C6H4CH3 meta-xylene mxylene  
1102 CH3C6H4CH3 paraxylene pxylene  
1103 C8H14 Bicyclo[2.2.2]octane bico222  
1104 C8H16 cyclooctane cyclooct  
1105 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1106 C8H18 Octane c8h18  
1107 C6H5CN phenyl cyanide phcn  
1108 C4O4-- squarate dianion c4o4--  
1109 S8 Octasulfur s8  
1110 C6H4O2 parabenzoquinone pbq  
1111 C4H4N2O2 Uracil uracil  
1112 C6H5OCH3 Anisole anisole  
1113 C5H9NO2 Proline proline  
1114 C6H12O2 Methyl pivalate c598981  
1115 C6H12O2 Hexanoic acid hexa  
1116 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1117 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1118 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1119 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1120 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1121 C2F6 hexafluoroethane c2f6  
1122 IF7 Iodine heptafluoride if7  
1123 C6H4F2 metadifluorobenzene mdfb  
1124 C6H4F2 orthodifluorobenzene odfb  
1125 C6H4F2 1,4-difluorobenzene pdfb  
1126 C6H4Cl2 1,3-dichlorobenzene dcb13  
1127 C6H4Cl2 1,4-dichlorobenzene dcb14  
1128 C9H8 Indene indene  
1129 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1130 C9H12 n-propyl benzene prbz  
1131 C9H20 Nonane nonane  
1132 C(CN)4 tetracyanomethane c5n4  
1133 C5H4N4 purine purine  
1134 C8H7N Indole indole  
1135 C3H3N3O3 cyanuric acid cyanuric  
1136 C6H5NO2 Nitrobenzene c6h5no2  
1137 C6H5COOH benzoic acid benzo  
1138 CH3COC6H5 acetophenone acph  
1139 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1140 C6H3F3 Benzene trifluoride 123 bzf3a  
1141 C10H8 naphthalene naph  
1142 C10H16 adamantane adamantane  
1143 C6N4 Tetracyanoethylene tcne  
1144 C10H22 Decane decane  
1145 C4F6 perfluorobutadiene c4f6  
1146 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1147 C3F8 perfluoropropane c3f8  
1148 Fe(CO)5 Iron pentacarbonyl ipc  
1149 Fe(C5H5)2 ferrocene fecp2  
1150 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1151 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1152 C12H8 Acenaphthylene acenaph  
1153 C12H8 biphenylene biph  
1154 C12H10 biphenyl biphenyl  
1155 C12H10 Heptalene heptalene  
1156 C6H12O6 Inositol inositol  
1157 C6F6 hexafluorobenzene c6f6  
1158 S2F10 disulphur decafluoride s2f10  
1159 C13H10 Fluorene fluorene  
1160 C14H10 Anthracene anth  
1161 C14H10 Phenanthrene phenanthrene  
1162 C14H14 Bibenzyl bibenzyl  
1163 C12H10N2 azobenzene azobenzene  
1164 C16H10 Pyrene pyrene  
1165 C18H12 Tetracene tetracene  
1166 C19H16 Triphenylmethane tpm  
1167 C24H12 Coronene coronene  
1168 C60 Buckminsterfullerene c60