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List of which calculations are completed at PBEPBEultrafine /6-31+G**

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H+ Hydrogen atom cation  Kh
4 H2 Hydrogen diatomic 1ΣgD∞h
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 He Helium atom 1SKh
8 He Helium atom   
9 He+ Helium atom cation 2SKh
10 HeH+ Helium hydride cation 1ΣC∞v
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Li- Lithium atom anion 1SKh
14 Li+ Lithium atom cation 1SKh
15 Na Sodium atom 2SKh
16 Na+ Sodium atom cation 1SKh
17 K Potassium atom 2SKh
18 Cu Copper atom 2SKh
19 LiH Lithium Hydride 1ΣC∞v
20 LiH+ lithium hydride cation 2ΣC∞v
21 KH Potassium hydride 1ΣC∞v
22 Be Beryllium atom 1SKh
23 Be+ Beryllium atom cation 2SKh
24 Mg Magnesium atom 1SKh
25 Mg+ Magnesium atom cation 2SKh
26 Ca Calcium atom 1SKh
27 Zn Zinc atom 1SKh
28 BeH beryllium monohydride 2ΣC∞v
29 MgH magnesium monohydride 2ΣC∞v
30 TiH Titanium monohydride 4ΦC∞v
31 ZnH+ Zinc, protonated   
32 BeH2+ Beryllium dihydride cation   
33 MgH2 magnesium dihydride 1ΣgD∞h
34 B Boron atom 2PKh
35 B Boron atom 4PKh
36 B+ Boron atom cation 1SKh
37 Al Aluminum atom 2PKh
38 Al- Aluminum atom anion 3PKh
39 Al+ Aluminum atom cation 1SKh
40 Sc Scandium atom 2DKh
41 Sc+ Scandium cation 3DKh
42 Ga Gallium atom 2P 
43 Ga- Gallium atom anion 3POh
44 Ga+ Gallium atom cation 1S 
45 BH Boron monohydride 1ΣC∞v
46 BH Boron monohydride 3ΠC∞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 BH3+ boron trihydride cation 2B2C2v
52 BH3+ boron trihydride cation  C2v
53 AlH3 aluminum trihydride 1A1'D3h
54 AlH3- aluminum trihydride anion  C3v
55 ScH3 Scandium trihydride 1A1'D3h
56 ScH3 Scandium trihydride 1A1C3v
57 BH4 borohydride 2B2C2v
58 BH4- borohydride anion 1A1Td
59 C Carbon atom 3P0Kh
60 C Carbon atom 3P1Kh
61 C- Carbon atom anion 2DKh
62 C+ Carbon atom cation 2PKh
63 Si Silicon atom 3PKh
64 Si Silicon atom 1SKh
65 Si- Silicon atom anion 4SKh
66 Si+ Silicon atom cation 2PKh
67 Ti Titanium atom 3FKh
68 Ge Germanium atom 3PKh
69 Ge- Germanium anion 4SKh
70 Ge+ Germanium cation 2PKh
71 CH Methylidyne 2Π1/2C∞v
72 SiH Silylidyne 2ΠC∞v
73 SiH+ silicon monohydride cation 1ΣC∞v
74 GeH germylidene 2ΠC∞v
75 GeH+ Germaniun monohyrdide cation 1ΣC∞v
76 CH2 Methylene 3B1C2v
77 CH2 Methylene 3ΣGD∞h
78 CH2 Methylene 1A1C2v
79 CH2- methylene anion 2B1C2v
80 CH2+ methylene cation 2A1C2v
81 CH2+ methylene cation 2ΠD∞h
82 GeH2 germylene 1A1C2v
83 CH3 Methyl radical 2A1D3h
84 CH3- methyl anion 1A1C3v
85 CH3+ methyl cation 1A1'D3h
86 SiH3 Silyl radical 2A1C3v
87 SiH3+ Silyl cation 1A1'D3h
88 GeH3 Germyl radical 2A1C3v
89 GeH3+ germyl cation 1A1'D3h
90 CH4 Methane 1A1Td
91 CH4- Methane anion 2A1Td
92 SiH2D2 silane-d2   
93 SiH4 Silane 1A1Td
94 GeH4 Germane 1A1Td
95 SiH5+ Silane, protonated   
96 N Nitrogen atom 4SKh
97 N+ Nitrogen atom cation 3PKh
98 P Phosphorus atom 4SKh
99 V Vanadium atom 4FKh
100 V+ Vanadium atom cation 5DKh
101 As Arsenic atomic 4SKh
102 As- Arsenic anion 3PKh
103 As+ Arsenic cation 3PKh
104 PH phosphorus monohydride 3Σ-C∞v
105 AsH Arsenic monohydride 3ΣC∞v
106 NH2 Amino radical 2B1C2v
107 NH2+ Amino cation 3B1C2v
108 NH2+ Amino cation 1A1C2v
109 NH3 Ammonia 1A1C3v
110 NH3- Ammonia anion 2A1C3v
111 NH3+ ammonia cation 2A2"D3h
112 PH3 Phosphine 1A1C3v
113 PH3+ Phosphine cation 2A1C3v
114 AsH3 Arsine 1A1C3v
115 AsH3+ Arsine cation 2A1C3v
116 AsH4+ Arsonium   
117 NH4 Ammonium radical   
118 NH4+ ammonium cation 1A1Td
119 PH4 Phosphoranyl radical   
120 PH4+ phosphonium cation   
121 O Oxygen atom 3SKh
122 O+ Oxygen atom cation 4SKh
123 S Sulfur atom 3PKh
124 S Sulfur atom   
125 S- Sulfur atom anion 2PKh
126 S+ Sulfur atom cation 4SKh
127 Se Selenium atom 3PKh
128 Se- Selenium atom anion 2PKh
129 Se+ Selenium atom cation 4SKh
130 OH Hydroxyl radical 2ΠC∞v
131 OH- hydroxide anion 1ΣC∞v
132 OH+ hydoxyl cation 3ΣC∞v
133 HS Mercapto radical 2ΠC∞v
134 HS- mercapto anion 1ΣC∞v
135 HS+ sulfur monohydride cation 3ΣC∞v
136 CrH Chromium hydride 6ΣC∞v
137 CrH+ Chromium hydride cation 5ΣC∞v
138 HSe Selenium monohydride 2ΠC∞v
139 HSe- selenium monohydride anion 1ΣC∞v
140 HSe+ selenium monohydride cation 3ΣC∞v
141 H2O Water 1A1C2v
142 H2O- water anion 2A1C2v
143 H2O- water anion 2A'Cs
144 H2O+ water cation 2B1C2v
145 HDO Water-d1 1A1C2v
146 H2S Hydrogen sulfide 1A1C2v
147 H2S+ Hydrogen sulfide cation 2B1C2v
148 H2Se Hydrogen selenide 1A1C2v
149 H2Se+ Hydrogen selenide cation 2B1C2v
150 H3O+ hydronium cation 1A1C3v
151 H3S+ Sulfonium cation 1A1C3v
152 H3Se+ Hydrogen Selenide, protonated 1A1C3v
153 F Fluorine atom 2PKh
154 F- Fluorine atom anion 1SKh
155 F+ Fluorine atom cation 3SKh
156 F+ Fluorine atom cation 1DKh
157 Cl Chlorine atom 2PKh
158 Cl- Chlorine atom anion 1SKh
159 Cl+ Chlorine atom cation 3PKh
160 Cl+ Chlorine atom cation 1DKh
161 Br Bromine atom 2PKh
162 Br- Bromine atom anion 1SKh
163 Br+ Bromine atom cation 3PKh
164 HF Hydrogen fluoride 1ΣC∞v
165 HF- hydrogen fluoride anion 2ΣC∞v
166 HF+ hydrogen fluoride cation 2ΠC∞v
167 HCl Hydrogen chloride 1ΣC∞v
168 HCl- hydrogen chloride anion 2ΣC∞v
169 HCl+ hydrogen chloride cation 2ΠC∞v
170 HBr hydrogen bromide 1ΣC∞v
171 HBr- hydrogen bromide anion 2ΣC∞v
172 HBr+ hydrogen bromide cation 2ΠC∞v
173 H2Cl+ dihydrogen monochloride cation 1A1C2v
174 H2Br+ protonated hydrogen bromide 2A1C2v
175 Ne Neon atom 1SKh
176 Ne Neon atom   
177 Ne+ Neon atom cation 2PKh
178 Ar Argon atom 1SKh
179 Kr Krypton atom 1SKh
180 Kr+ Krypton cation 2PKh
181 HeLi+ Helium Lithium cation   
182 NeH neon hydrogen 2ΣC∞v
183 ArH+ Argon hydride cation 1ΣC∞v
184 KrH+ Protonated Krypton 1ΣC∞v
185 H2Ar H2 Ar dimer 1ΣC∞v
186 NaLi lithium sodium 1ΣC∞v
187 Na2 Sodium diatomic 1ΣgD∞h
188 Na2- sodium diatomic anion 2ΣuD∞h
189 Na2+ sodium diatomic cation 2ΣgD∞h
190 NaK+ Sodium Potassium diatomic cation 1
191 BeMg Beryllium Magnesium 1ΣC∞v
192 LiB Lithium boride 3ΠC∞v
193 LiAl Lithium Aluminum   
194 NaAl Sodium aluminum 1ΣC∞v
195 BeB Beryllium monoboride 2ΠC∞v
196 B2 Boron diatomic 3ΣgD∞h
197 B2 Boron diatomic 1ΣgD∞h
198 B2 Boron diatomic 5ΣuD∞h
199 B2+ Boron diatomic cation 2ΠD∞h
200 BAl Boron Aluminum 3ΣC∞v
201 BGa Boron Gallium 3ΣC∞v
202 AlGa Aluminum Gallium 3ΣC∞v
203 AlGa Aluminum Gallium 1ΣC∞v
204 Ga2 Gallium diatomic 3Piu 
205 HBBH Diborane(2) 3ΣGD∞h
206 B2H4 Diborane(4) D2d 1A1D2d
207 HBHHBH Diborane(4) C2V 1A1C2v
208 B2H6 Diborane 1AgD2h
209 B2H6+ Diborane cation   
210 Ga2H6 digallane 1AGD2h
211 BeC Beryllium Carbide 3Σ-C∞v
212 BeC Beryllium Carbide   
213 CaC Calcium monocarbide   
214 AlC Aluminum carbide 4ΣC∞v
215 BSi Boron silicide 4ΣC∞v
216 BSi Boron silicide 2ΣC∞v
217 C2 Carbon diatomic 1Σg+D∞h
218 C2 Carbon diatomic 3Σg- 
219 C2+ carbon diatomic cation 4ΣgD∞h
220 SiC silicon monocarbide 1ΣC∞v
221 GeC Germanium monocarbide 1ΣC∞v
222 SiGe Silicon Germanium   
223 C2H Ethynyl radical 2ΣC∞v
224 C2H- Ethynyl anion 1ΣC∞v
225 C2H2 Acetylene 1ΣgD∞h
226 C2H2+ acetylene cation 2ΠuD∞h
227 C2H2+ acetylene cation   
228 H2CC- vinylidene anion   
229 HCCH- acetylene anion   
230 HCCH- acetylene anion   
231 Si2H2 disilyne   
232 Si2H2 disilyne   
233 Si2H2 disilyne   
234 Si2H2 disilyne   
235 CH3Li methyl lithium 1A1C3v
236 CH2BH methyleneborane 1A1C2v
237 C2H3 vinyl 2A'Cs
238 C2H3- vinyl anion 1A'Cs
239 C2H3+ vinyl cation 1A1C2V bridging H
240 C2H3+ vinyl cation 1A1C2V HCCH2
241 C2H4 Ethylene 1AgD2h
242 C2H4- Ethylene anion 2AgC2h
243 C2H4+ Ethylene cation 2B3D2
244 Si2H4 Disilene   
245 Si2H4 Disilene   
246 Si2H4 Disilene   
247 CH3BH2 methylborane 1A'Cs
248 C2H5 Ethyl radical 2A'Cs
249 C2H6 Ethane 1A1gD3d
250 Si2H6 disilane 1EuD3d
251 LiN Lithium Nitride 3ΣC∞v
252 LiP Lithium monophosphide   
253 LiP Lithium monophosphide   
254 BeN+ Beryllium mononitride cation 3ΣC∞v
255 BeN+ Beryllium mononitride cation 1ΣC∞v
256 MgN Magnesium Nitride   
257 MgN Magnesium Nitride   
258 BP Boron monophosphide 3ΠC∞v
259 BP Boron monophosphide 1ΣC∞v
260 AlP Aluminum monophosphide 3ΣC∞v
261 AlP Aluminum monophosphide 3ΠC∞v
262 AlP Aluminum monophosphide 1ΣC∞v
263 GaP Gallium monophosphide 3ΣC∞v
264 GaP Gallium monophosphide 1ΣC∞v
265 GaAs Gallium arsenide 3Π 
266 GaAs Gallium arsenide 1Σ 
267 BN boron nitride 3ΠC∞v
268 BN boron nitride 1ΣC∞v
269 CN Cyano radical 2ΣC∞v
270 CN- cyanide anion 1ΣC∞v
271 SiP Silicon monophosphide 2ΠC∞v
272 N2 Nitrogen diatomic 1ΣgD∞h
273 N2 Nitrogen diatomic   
274 N2- nitrogen diatomic anion 2ΠgD∞h
275 PN Phosphorus mononitride 1ΣC∞v
276 HCN Hydrogen cyanide 1ΣC∞v
277 HCN+ hydrogen cyanide cation 2ΠC∞v
278 HNC+ hydrogen isocyanide cation   
279 HCP+ Phosphaethyne cation   
280 NNH+ Dinitrogen monohydride cation 1ΣC∞v
281 LiNH2 lithium amide   
282 HBNH Boranimine 1ΣC∞v
283 H2NN Isodiazene   
284 N2H2 (E)-diazene 1AgC2h
285 N2H2 (Z)-Diazene 1A1C2v
286 N2H2+ trans-diazene cation 2AGC2h
287 CH2NH Methanimine 1A'Cs
288 CH2NH+ Methanimine cation   
289 CHNH2 aminomethylene   
290 CHNH2+ Aminocarbene cation   
291 BH2NH2 Boranamine   
292 CH2NH2+ methyleneamine cation 1A1C2v
293 N2H4 Hydrazine 1AC2
294 N2H4+ hydrazine cation 2AGC2h
295 CH3NH2 methyl amine 1A'Cs
296 CH3NH2+ methyl amine cation 2A'Cs
297 SiH3NH2 Silane, amino   
298 N2H5+ protonated hydrazine 1A'Cs
299 BH3PH3 borane phosphine   
300 BH3NH3 borane ammonia 1A1C3v
301 CH3NH3 methyl ammonium radical 2A1C3v
302 CH3PH3+ methyl phosphine, protonated 1A1C3v
303 NH3NH3 Ammonia Dimer 1AgC2h
304 N2H7+ ammonia ammonium dimer   
305 LiO lithium oxide 2ΣC∞v
306 LiS Lithium monosulfide 2ΠC∞v
307 LiS+ Lithium sulfide cation 3ΣC∞v
308 NaO sodium monoxide 2ΣC∞v
309 KO Potassium monoxide 2ΣC∞v
310 KO+ Potassium monoxide cation 3ΣC∞v
311 NaS Sodium sulfide 2ΠC∞v
312 LiSe Lithium monoselenide   
313 CaO Calcium monoxide 1ΣC∞v
314 CaS Calcium sulfide 1ΣC∞v
315 BO boron monoxide 2ΣC∞v
316 ScO Scandium monoxide 2ΣC∞v
317 GaO Gallium monoxide 2ΣC∞v
318 GaS Gallium monosulfide   
319 CO Carbon monoxide 1ΣC∞v
320 CO- carbon monoxide anion 2ΠC∞v
321 CO+ carbon monoxide cation 2ΣC∞v
322 SiO Silicon monoxide 1ΣC∞v
323 SiS silicon monosulfide 1ΣC∞v
324 TiO Titanium monoxide 3ΔC∞v
325 CSe Carbon monoselenide 1ΣC∞v
326 GeO Germanium monoxide 1ΣC∞v
327 GeO+ Germanium monoxide cation 2ΣC∞v
328 GeS Germanium monosulfide 1ΣC∞v
329 SiSe Silicon Monoselenide   
330 SiSe+ Silicon Monoselenide cation   
331 GeSe Germanium monoselenide   
332 NO Nitric oxide 2ΠC∞v
333 NO- nitric oxide anion 3ΣC∞v
334 NO+ nitric oxide cation 1ΣC∞v
335 NS Mononitrogen monosulfide 2ΠC∞v
336 PO Phosphorus monoxide 2ΠC∞v
337 PS phosphorus sulfide 2ΣC∞v
338 VO Vanadium monoxide 4Σ- 
339 NSe Nitrogen monoselenide 2ΠC∞v
340 AsS Arsenic monosulfide 2ΠC∞v
341 PSe Phosphorus monoselenide 2ΠC∞v
342 AsSe Arsenic monoselenide 2ΠC∞v
343 O2 Oxygen diatomic 3ΣgD∞h
344 O2- oxygen diatomic anion 2ΠD∞h
345 O2-- dioxygen dianion   
346 SO Sulfur monoxide 3ΣC∞v
347 SO Sulfur monoxide 1ΣC∞v
348 SO+ sulfur monoxide cation 2ΠC∞v
349 S2 Sulfur diatomic 3ΣgD∞h
350 SeO Selenium monoxide 3ΣC∞v
351 Se2 Selenium diatomic 3ΣgD∞h
352 LiOH lithium hydroxide 1ΣC∞v
353 KOH Potassium hydroxide 1ΣC∞v
354 BeOH beryllium monohydroxide 2A'Cs
355 BeOH beryllium monohydroxide 2ΣC∞v
356 HBO Boron hydride oxide 1ΣC∞v
357 HBS hydrogen boron sulfide 1ΣC∞v
358 COH Hydroxymethylidyne   
359 COH+ Carbon Monoxide, protonated 1ΣC∞v
360 HCO Formyl radical 2A'Cs
361 HCO- formyl anion 1A'Cs
362 HCO+ Formyl cation 1ΣC∞v
363 HNO Nitrosyl hydride 1A'Cs
364 HNO+ Nitrosyl hydride cation 2A'Cs
365 NOH Hydroxyimidogen 3A"Cs
366 NOH+ O-protonated nitric oxide 2A'Cs
367 HO2 Hydroperoxy radical 2A"Cs
368 HO2+ Hydroperoxy cation 3A"Cs
369 HSO+ Sulfur Monoxide, S-protonated   
370 SOH Sulfur Hydroxide   
371 SOH+ Sulfur Monoxide, protonated   
372 H2CO Formaldehyde 1A1C2v
373 H2CO- formaldehyde anion 2A'Cs
374 H2CO- formaldehyde anion   
375 H2CO+ formaldehyde cation 2B2C2v
376 H2CS Thioformaldehyde 1A1C2v
377 H2CS- thioformaldehyde anion   
378 H2CS- thioformaldehyde anion   
379 H2CS+ thioformaldehyde cation 2B2C2v
380 H2CSe Selenoformaldehyde   
381 H2NO nitroxide 2B1C2v
382 H2NO nitroxide 2A'Cs
383 H2O2 Hydrogen peroxide 1AC2
384 H2O2 Hydrogen peroxide 1AgC2h
385 H2OO water oxide   
386 HOSH hydrogen thioperoxide   
387 H2S2 Disulfane 1AC2
388 H2S2+ hydrogen disulfide cation 2BgC2h
389 H2Se2 hydrogen diselenide   
390 CH2OH Hydroxymethyl radical 2AC1
391 CH2OH+ hydroxymethyl cation 1A'Cs
392 CH3O- methoxy anion 1A1C3v
393 CH3O+ Methoxy cation 3A1C3v
394 H2CSH+ Thioformaldehyde, protonated 1A'Cs
395 NH2OH hydroxylamine 1A'Cs
396 NH2OH+ Hydroxylamine cation   
397 NH2SH Thiohydroxylamine   
398 NH2SH Thiohydroxylamine   
399 NH3S sulfidoazane   
400 CH3OH Methyl alcohol 1A'Cs
401 CH3OH- Methyl alcohol anion 2A'Cs
402 CH3OH- Methyl alcohol anion 2A'CS eclipsed
403 CH3OH+ Methyl alcohol cation 2A"Cs
404 CH3SH Methanethiol 1A'Cs
405 CH3SH+ Methanethiol cation 2A"Cs
406 SiH3OH silanol   
407 NH2OH2+ protonated hydroxylamine   
408 NH3OH+ N-protonated hydroxylamine   
409 H2OH2O water dimer 1A'Cs
410 CH3SH2+ protonated methylsulfide 1A'Cs
411 H2ONH3 Water Ammonia Dimer 1A'C1
412 H5O2+ Dihydroxonium ion 1AC2
413 LiF lithium fluoride 1ΣC∞v
414 LiCl lithium chloride 1ΣC∞v
415 NaF sodium fluoride 1ΣC∞v
416 NaF+ sodium fluoride cation 2ΣC∞v
417 NaCl Sodium Chloride 1ΣC∞v
418 LiBr Lithium Bromide 1ΣC∞v
419 LiF+ lithium fluoride cation 2ΠC∞v
420 MgF+ magnesium fluoride cation 1ΣC∞v
421 TiCl Titanium Monochloride 4ΣC∞v
422 ZnF Zinc monofluoride 2ΣC∞v
423 CaBr Calcium monobromide   
424 BF Boron monofluoride 1ΣC∞v
425 AlF Aluminum monofluoride 1Σ+C∞v
426 ScF Scandium monofluoride 1ΣC∞v
427 GaF Gallium monofluoride 1ΣC∞v
428 GaF+ Gallium monofluoride cation 2ΣC∞v
429 AlBr Aluminum monobromide   
430 GaCl Gallium monochloride 1ΣGC∞v
431 GaCl+ Gallium monochloride cation 2ΣC∞v
432 GaBr Gallium monobromide   
433 CF Fluoromethylidyne 2ΠC∞v
434 SiF silicon monofluoride 2ΠC∞v
435 SiF+ silicon monofluoride cation 1ΣC∞v
436 SiCl Clorosilylidyne 2ΠC∞v
437 CBr Carbon monobromide 2ΠC∞v
438 GeF Germanium monofluoride 2ΠC∞v
439 GeF+ Germanium monofluoride cation 1ΣC∞v
440 GeCl Germanium monochloride 2ΠC∞v
441 GeCl+ Germanium monochloride cation   
442 SiBr Silicon monobromide 2ΠC∞v
443 SiBr+ Silicon monobromide cation   
444 NCl nitrogen monochloride 3ΣC∞v
445 AsF Arsenic monofluoride 3ΣC∞v
446 AsCl Arsenic monochloride 3ΣC∞v
447 PBr Phosphorus monobromide   
448 FO Oxygen monofluoride 2ΠC∞v
449 ClO Monochlorine monoxide 2ΠC∞v
450 ClO+ chlorine monoxide cation 3ΣC∞v
451 SF Monosulfur monofluoride 2ΠC∞v
452 SF+ sulfur monofluoride cation 3ΣC∞v
453 SCl sulfur monochloride 2ΠC∞v
454 SCl+ sulfur monochloride cation 3ΣgC∞v
455 BrO Bromine monoxide 2ΠC∞v
456 BrO+ Bromine monoxide cation   
457 SeF Selenium monofluoride 2ΠC∞v
458 SBr Sulfur monobromide radical   
459 SBr+ Sulfur monobromide cation   
460 SeCl Selenium monochloride 2ΠC∞v
461 SeBr Selenium monobromide   
462 BrCl Bromine monochloride 1ΣC∞v
463 F2 Fluorine diatomic 1ΣgD∞h
464 F2- flourine diatomic anion 2ΣuD∞h
465 F2+ flourine diatomic cation 2ΠgD∞h
466 ClF Chlorine monofluoride 1Σ+C∞v
467 ClF+ clorine monofluoride cation 2ΠC∞v
468 Cl2 Chlorine diatomic 1ΣgD∞h
469 Cl2+ chlorine diatomic cation 2ΠgD∞h
470 BrF Bromine monofluoride 1ΣC∞v
471 Br2 Bromine diatomic 1ΣgD∞h
472 Br2- bromine diatomic anion 2ΣuD∞h
473 Br2+ bromine diatomic cation 2ΠgD∞h
474 HCF Fluoromethylene 1A'Cs
475 HCF Fluoromethylene 3A"Cs
476 HSiF fluorosilylene   
477 HSiCl Chlorosilylene   
478 HSiBr monobromosilylene   
479 HOF Hypofluorous acid 1A'Cs
480 HOCl hypochlorous acid 1A'Cs
481 HOCl+ hypochlorous acid cation   
482 F2H+ Fluorine, protonated 1A'Cs
483 ClFH+ Chlorine fluoride, F-protonated   
484 FClH+ Chlorine fluoride, Cl-protonated   
485 Cl2H+ Chlorine, protonated 1A'Cs
486 CH2Br bromomethyl radical   
487 CH2F fluoromethyl radical 2ACs
488 CH2F+ fluoromethyl cation   
489 CH2Cl+ chloromethyl cation   
490 CH2Cl chloromethyl radical 2A'Cs
491 CH2Cl chloromethyl radical 2B1C2v
492 NH2Cl chloramine 1A'Cs
493 CH3F+ methyl fluoride cation   
494 CH3F Methyl fluoride 1A1C3v
495 CH3Cl Methyl chloride 1A1C3v
496 CH3Cl+ Methyl chloride cation   
497 SiH3F monofluorosilane 1A1C3v
498 SiH3Cl chlorosilane 1A1C1
499 CH3Br methyl bromide 1A1C3v
500 GeH3F monofluorogermane   
501 GeH3Cl monochlorogermane   
502 SiH3Br bromosilane 1A1C3v
503 NH3Cl+ protonated monochloroammonia   
504 CH3ClH+ methyl chloride, protonated   
505 NH4Cl Ammonium chloride   
506 LiNe+ Lithium Neon cation   
507 Ne2+ Neon diatomic cation 2ΣuD∞h
508 Ar2 Argon diatomic 1SgD∞h
509 Ar2+ Argon diatomic cation 2ΣuD∞h
510 Li3 Lithium trimer 2B2C2v
511 Li3+ Lithium trimer cation 1A1'D3h
512 C3 carbon trimer 1ΣgD∞h
513 C3 carbon trimer 1A1C2v
514 SiC2 Silicon dicarbide   
515 C3H3 cyclopropenyl radical 2A'Cs
516 C3H4 cyclopropene 1A1C2v
517 CH2CCH2 allene 1A1D2d
518 CH3CCH propyne 1A'C3v
519 C3H5 Allyl radical 2A2C2v
520 C3H5 Allyl radical 2A"Cs
521 C3H6 Cyclopropane 1A1'D3h
522 CH2CHCH3 Propene 1A'Cs
523 C3H7 n-Propyl radical 2A"C1
524 C3H7+ cyclopropane, protonated   
525 CH3CHCH3 Isopropyl radical 2AC2
526 CH3CHCH3+ Isopropyl cation 1AC2
527 C3H8 Propane 1A1C2v
528 Si3H8 trisilane   
529 LiCN lithium cyanide 1ΣC*V LiCN
530 LiCN lithium cyanide 1A'Cs
531 LiCN lithium cyanide 1ΣC*V LiNC
532 NaCN Sodium Cyanide 1ΣC∞v
533 NaCN Sodium Cyanide 1ACs
534 NaCN Sodium Cyanide 1ΣC∞v
535 KCN Potassium cyanide 1ΣC∞v
536 KCN Potassium cyanide 1ΣC∞v
537 KCN Potassium cyanide 1A'Cs
538 ZnCN Zinc monocyanide 2ΣC∞v
539 ZnNC Zinc isocyanide 2ΣC∞v
540 AlCN Aluminum monocyanide   
541 AlNC Aluminum isocyanide   
542 CNN Diazocarbene   
543 N3 azide radical 2ΠgD∞h
544 N3+ azide cation 3ΣgD∞h
545 N3+ azide cation 3ΣC∞v
546 HCCN cyanomethylene 3A"Cs
547 HCCN cyanomethylene 3ΣC∞v
548 HCCN cyanomethylene   
549 HN3 hydrogen azide 1A'Cs
550 HN3+ Hydrazoic acid cation   
551 HNCNH diiminomethane 1AC2
552 NH2CN cyanamide 1A1C2v
553 HNNNH+ 1,2-Triazadienium   
554 NH2NN+ hydrazoic acid, protonated   
555 CH3CN Acetonitrile 1A1C3v
556 CH3CN- acetonitrile anion 2EC3v
557 CH3CN- acetonitrile anion 2A'Cs
558 CHNCH2 2H-Azirine   
559 CHNHCH 1H-Azirine   
560 H2CCNH Ethenimine   
561 H2CNCH methyleneaminomethylene   
562 HCCNH2 Ethynamine   
563 HCNCH2+ 2H-Azirine cation   
564 HNCNH2+ diiminomethane, protonated 1A'Cs
565 NCNH3+ Cyanamide, protonated 1A1C3v
566 NH2CNH+ cyanamide, cn protonated   
567 NH3CN+ cyanamide, amine protonated   
568 CH2CHNH vinylazine 2A"CS cis
569 CH2CHNH vinylazine 2A"CS trans
570 C2H5NH+ Protonated Aziridine 1A1C2v
571 C2H6N+ aziridine, protonated 1A1C2v
572 CH3CH2NH2 Ethylamine   
573 CH3PHCH3 dimethylphosphine 1A'Cs
574 (CH3)2NH2+ dimethylammonium cation 1A1C2v
575 CH3CH2NH3+ ethylamine, protonated 1A'Cs
576 Li2O dilithium oxide 1ΣgD∞h
577 Li2S dilithium sulfide 1ΣGD∞h
578 Li2S dilithium sulfide 1A1C2v
579 Na2O disodium monoxide 1ΣgLinear
580 Na2O disodium monoxide 1A1C2v
581 Na2S Sodium sulfide   
582 Na2S Sodium sulfide   
583 LiO2 Lithium dioxide   
584 NaO2 Sodium superoxide   
585 CCO Dicarbon monoxide 3ΣC∞v
586 CCO Dicarbon monoxide 1ΠC∞v
587 NCO isocyanato radical 2ΠC∞v
588 N2O Nitrous oxide 1ΣC∞v
589 N2O- Nitrous oxide anion 2A'Cs
590 CO2 Carbon dioxide 1ΣgD∞h
591 OCS Carbonyl sulfide 1ΣC∞v
592 CS2 Carbon disulfide 1ΣgD∞h
593 TiO2 Titanium dioxide 1A1C2v
594 SiS2 Silicon disulfide 1ΣGD∞h
595 GeO2 Germanium dioxide 1ΣgD∞h
596 OCSe Carbonyl selenide 1ΣC∞v
597 SCSe Carbon sulfide selenide   
598 CSe2 Carbon diselenide 1A1D∞h
599 NO2 Nitrogen dioxide 2A1C2v
600 NO2+ Nitrogen dioxide cation 1ΣGD∞h
601 NSO sulfinyl amidogen   
602 SNO Nitrogen oxide sulfide   
603 O3 Ozone 1A1Cs
604 SO2 Sulfur dioxide 1A1C2v
605 SSO Disulfur monoxide 1A'Cs
606 S3 Sulfur trimer 1A1C2v
607 S3 Sulfur trimer   
608 S3+ Sulfur trimer cation 2B2C2v
609 SeO2 Selenium dioxide 1A1C2v
610 SeO2+ Selenium dioxide cation 2A1C2v
611 HCCO ketenyl radical 2ΠC∞v
612 HCCO ketenyl radical 2A"Cs
613 HCNO fulminic acid 1ΣC∞v
614 HCNO fulminic acid 1A'Cs
615 HNCS Isothiocyanic acid   
616 HSCN thiocyanic acid 1A'Cs
617 HNNO+ Nitrous oxide, N-protonated 1A'Cs
618 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
619 HOCO Hydrocarboxyl radical 1A'cis
620 HOCO Hydrocarboxyl radical 1A'trans
621 O3H+ protonated ozone 1A'Cs
622 O3H+ protonated ozone   
623 SO2H+ protonated sulfur dioxide 1A'Cs
624 C2H2O Oxirene 1A1C2v
625 CH2CO Ketene 1A1C2v
626 CH2CS Thioketene   
627 Be(OH)2 Beryllium hydroxide   
628 Be(OH)2 Beryllium hydroxide   
629 NH2NO Nitrosamide 1AC1
630 H2COO Dioxymethyl radical 2A'Cs
631 H2COO+ dioxymethyl cation 2A'Cs
632 HCOOH Formic acid 1A'Cs
633 HCOOH Formic acid   
634 HSSSH trisulfane 1A'Cs
635 CH2BOH hydroxy(methylene)borane 1A'Cs
636 BH3CO Borane carbonyl 1A1C3v
637 CH3BO Borane, methyloxo- 1A1C3v
638 CH2COH+ ketene, protonated   
639 CH2NOH formaldoxime 1A'Cs
640 CH3NO nitrosomethane 1A'Cs
641 CNOH3 1,2-oxaziridine 1AC1
642 HOCHNH hydroxymethylimine 1A'CS H all up
643 CHSNH2 thioformamide   
644 NHCHSH Methanimidothioic acid   
645 C2H4O Ethylene oxide 1A1C2v
646 C2H4O+ ethylene oxide cation   
647 CH3CHO Acetaldehyde 1A'Cs
648 CH3CHO+ acetaldehyde cation   
649 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
650 C2H4S Thiirane 1A1C2v
651 CH2CHSH Ethenethiol   
652 CH3CHS Thioacetaldehyde 1A'C1
653 NH2CHOH+ Formamide, O-protonated   
654 CH3SSH Hydrogen methyl disulfide   
655 HSCH2SH Methanedithiol   
656 H2OH2CO water formaldehyde dimer 1AC1
657 C2H4OH+ ethylene oxide, protonated 1A'Cs
658 CH3CHOH 1-hydroxy-ethyl radical 2AC1
659 CH3CHOH+ acetaldehyde, protonated 1A'Cs
660 NH2CH2OH aminomethanol   
661 CH3CH2OH Ethanol 1A'Cs
662 CH3OCH3 Dimethyl ether 1A1C2v
663 CH3CH2SH ethanethiol 1A'Cs
664 CH3CH2SH ethanethiol 1AC1
665 CH3SCH3 Dimethyl sulfide 1A1C2v
666 CH3SCH3+ dimethyl sulfide cation   
667 CH3SeCH3 dimethylselenide 1A1C2v
668 CH3OHH2O methanol water dimer 1A'C1
669 H2OCH3OH water methanol dimer 1AC1
670 CuF2 Copper difluoride 2ΠgD∞h
671 CNF iso cyanogen fluoride 1ΣC∞v
672 BrCN Cyanogen bromide 1ΣC∞v
673 FBO Boron monofluoride monoxide   
674 BeBr2 Beryllium bromide   
675 CaBr2 Calcium dibromide   
676 FCO Carbonyl fluoride 2A'Cs
677 FCO+ Carbonyl fluoride cation 1ΣC∞v
678 ClCO carbonyl monochloride 2A'Cs
679 BF2 Boron difluoride radical 2A1C2v
680 FNO Nitrosyl fluoride 1A'Cs
681 ClNO Nitrosyl chloride 1A'Cs
682 FNS Thionitrosyl fluoride 1A'Cs
683 FSN Thiazyl fluoride 1A'Cs
684 OPCl Phosphorus oxychloride   
685 CF2 Difluoromethylene 1A1D∞h
686 CFCl chlorofluoromethylene 1A'Cs
687 SiF2 Silicon difluoride 1A1C2v
688 SiF2+ Silicon difluoride cation 2A1C2v
689 GeCl2 Germanium dichloride 1A1C2v
690 CBr2 dibromomethylene 1A1C2v
691 CBr2 dibromomethylene 3B1C2v
692 FOO+ Fluorine dioxide cation   
693 OClO Chlorine dioxide 2B1D∞h
694 OClO- Chlorine dioxide anion 1A'Cs
695 ClSO Sulfur chloride oxide 2A"Cs
696 BrOO Bromine dioxide   
697 OBrO Bromine dioxide radical 2B1C2v
698 PF2 Phosphorus difluoride   
699 PF2+ Phosphorus difluoride cation   
700 FClO chlorosyl fluoride 1A'Cs
701 ClOF Chlorine hypofluorite 1A'Cs
702 SF2 sulfur difluoride 1A1C2v
703 SeF2 Selenium difluoride   
704 SeCl2 Selenium Dichloride   
705 SBr2 Sulfur dibromide   
706 SeBr2 Selenium dibromide   
707 Br3- tribromide anion   
708 SFCl Sulfur chloride fluoride   
709 HCCF Fluoroacetylene 1ΣC∞v
710 HCCCl Chloroacetylene 1ΣC∞v
711 HCCBr bromoacetylene 1ΣC∞v
712 HFCO+ formyl fluoride cation 2A'Cs
713 CHCl2 dichloromethyl radical 2B1C2v
714 CHCl2 dichloromethyl radical 2A'Cs
715 CHF2 difluoromethyl radical 2ACs
716 CHF2+ difluoromethyl cation   
717 CHFCl Chlorofluoromethyl radical   
718 CHFCl+ Chlorofluoromethyl cation   
719 CHCl2+ dichloromethyl cation   
720 CHBr2 dibromomethyl radical   
721 NHF2 difluoramine   
722 NHCl2 dichloroamine   
723 CH2F2 Methane, difluoro- 1A1C2v
724 SiH2F2 difluorosilane   
725 CH2Cl2 Methylene chloride 1A1C2v
726 CH2BrF Methane, bromofluoro- 1A'Cs
727 CH2BrCl Methane, bromochloro- 1A'Cs
728 CH2Br2 dibromomethane 1A1C2v
729 SiH2Cl2 dichlorosilane 1A1C2v
730 CH3MgBr Methyl Magnesium Bromide   
731 CH2CHF Ethene, fluoro- 1A'Cs
732 CH2FOH fluoromethanol   
733 CH2CH2Cl 2-chloroethyl radical 2A'Cs
734 CHClCH3 1-chloroethyl radical 2AC1
735 C2H5Br Ethyl bromide 1A'Cs
736 B4H10 Tetraborane(10) 1A1C2v
737 C4 Carbon tetramer 3ΣgD∞h
738 C4 Carbon tetramer   
739 C4H2 Diacetylene 1ΣgD∞h
740 C4H2+ diacetlyene cation 2ΠgD∞h
741 C4H4 Tetrahedrane   
742 C4H6 1-Methylcyclopropene 1AC1
743 CHCCH2CH3 1-Butyne 1A'Cs
744 C4H8 methylcyclopropane 1A'Cs
745 CH2CHCH2CH3 1-Butene 1AC1
746 CH3CH2CH2CH3 Butane 1AgAnti
747 CH3CH2CH2CH3 Butane 1AGauche
748 Li3N trilithium nitride 1A'D3h
749 Li3N trilithium nitride 1A1C3v
750 C2N2 Cyanogen 1ΣgD∞h
751 As4 Arsenic tetramer 1A1Td
752 HCCCN+ Cyanoacetylene cation 2ΠC∞v
753 H2CNCN cyanamide, methylene   
754 HNCCNH Ethenediimine   
755 CH3N3 methyl azide 1A'Cs
756 NH2CCNH2 Diaminoacetylene 1AC2
757 NH2CH2CN Aminoacetonitrile 1A'Cs
758 CH3NHN2+ methyl azide, protonated 1AC1
759 C2H5CN ethyl cyanide 1A'Cs
760 C4H6 Bicyclo[1.1.0]butane 1A1C2v
761 H2NCHCHNH2 diaminoethylene   
762 CH7N3 triaminomethane   
763 C4H8 cyclobutane 1A1D2d
764 NH2CH2CH2CH3 1-Propanamine 1A'Cs
765 P(CH3)3 trimethylphosphine 1A1C3v
766 N(SiH3)3 trisilylamine   
767 (CH3)3NH+ protonated trimethyl amine   
768 C3H7NH3+ n-propylamine, protonated 1A'Cs
769 K2O2 dipotassium dioxide   
770 C3O Tricarbon monoxide 1ΣC∞v
771 ONNO NO dimer 1Agtrans C2H
772 ONNO NO dimer 1A1cis C2V
773 S2N2 Disulfur dinitride 1AGD2h
774 CS3-- Carbonotrithioate   
775 NO3- nitrate anion 1A1'D3h
776 SO3 Sulfur trioxide 1A1'D3h
777 SO3-- Sulfate dianion   
778 S4 Sulfur tetramer   
779 S4 Sulfur tetramer   
780 S4 Sulfur tetramer   
781 HNO3 Nitric acid 1A'Cs
782 NH2NO2 nitramide 1A'Cs
783 C3H2O Propadienal   
784 C3H2O Propadienal   
785 C2H2O2 Ethanedial 1AgC2h
786 H2SO3 Sulfurous acid 1A'Cs
787 C2H3NO Nitrosoethylene   
788 CH3NCO methylisocyante   
789 HOCH2CN cyanomethanol   
790 CH3NO2 Methane, nitro- 1A'Cs
791 NH2COOH Carbamic acid 1A'Cs
792 NH2COOH Carbamic acid 1AC1
793 H3AlO3 Aluminum hydroxide   
794 CH2CHCHO Acrolein 1A'Cs
795 CH2CHCHO Acrolein   
796 NH2CONH2 Urea 1A1C2v
797 NH2COOH2+ Carbamic acid, O-protonated 1AC1
798 NH3COOH+ protonated Carbamic acid 1A'Cs
799 H2OHCOOH Water formic acid dimer 1 1AC1
800 H2OHCOOH Water formic acid dimer 2 1AC1
801 HCOOHH2O Formic acid water dimer 1AC1
802 CH3COCH2 Acetonyl radical 2A"Cs
803 CH2C(OH)NH2 1-amino vinyl alchohol   
804 CH3C(OH)=NH Ethaninidic acid   
805 CH3CHNOH Acetaldoxime 1A'CS cis
806 HCONHCH3 N-methylformamide 1A'CS cis
807 HCONHCH3 N-methylformamide 1A'CS trans
808 CH3CSNH2 Ethanethioamide   
809 CH5N2O+ urea, N-protonated 1A'Cs
810 H2NCOHNH2+ urea, protonated 1A'Cs
811 C3H5OH Cyclopropanol 1AC1
812 C3H6O 2-Propen-1-ol 1AC1
813 C3H6O Acetone enol 1A'Cs
814 C3H6O Oxetane 1A1C2v
815 C3H6O Oxetane 1A'Cs
816 CH3CH2CHO Propanal 1A'Cs
817 CH3COCH3 Acetone 1A1C2v
818 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
819 C3H7OH 1-Propanol   
820 CH3OC2H5 Ethane, methoxy- 1A'Cs
821 H2OCH3OCH3 water dimethylether dimer 1AC1
822 Li2F2 Lithium fluoride dimer   
823 FNO2 Nitryl fluoride 1A1C2v
824 FONO Nitrosyl hypofluorite 1A'CS cis
825 ClONO chlorine nitrite 1A'CS cis
826 CF2O Carbonic difluoride 1A1C2v
827 CF2O+ Carbonic difluoride cation   
828 BF3 Borane, trifluoro- 1A'D3h
829 BF3+ boron trifluoride cation   
830 AlF3 Aluminum trifluoride 1A1'D3h
831 BClF2 Chlorodifluoroborane   
832 ScF3 Scandium trifluoride 1A1'D3h
833 BCl3 Borane, trichloro- 1A1'D3h
834 BCl3+ Boron Trichloride cation   
835 GaF3 Gallium trifluoride 1A1'D3h
836 GaCl3 Gallium trichloride 1A1'D3h
837 CF3- Trifluoromethyl anion 1A1C3v
838 CF3+ Trifluoromethyl cation 1A1'D3h
839 CF2Cl difluorochloromethyl radical   
840 SiF3 Silicon trifluoride radical 2A1C3v
841 SiF3+ Silicon trifluoride cation 1A1'D3h
842 CFCl2 dichlorofluoromethyl radical   
843 CBr3 tribromomethyl radical   
844 ClO2F Chloryl fluoride 1A'Cs
845 ClOOCl Dichlorine dioxide 1AC2
846 SSCl2 Thiothionyl chloride   
847 NF3 Nitrogen trifluoride 1A1C3v
848 NCl3 nitrogen trichloride 1A1C3v
849 AsCl3 Arsenous trichloride 1A1C3v
850 NBr3 Nitrogen Tribromide 1A1C3v
851 ClF3 Chlorine trifluoride 1A1'D3h
852 ClF3 Chlorine trifluoride 1A1C2v
853 HClO3 Chloric Acid 1A'Cs
854 HClO3 Chloric Acid 1AC1
855 CHF3 Methane, trifluoro- 1A1C3v
856 SiHF3 trifluorosilane   
857 CHCl3 Chloroform 1A1C3v
858 CHBrF2 Methane, bromodifluoro- 1A'Cs
859 CHFClBr fluorochlorobromomethane 1AC1
860 CHBrCl2 Methane, bromodichloro- 1A'Cs
861 CHBr2F dibromofluoromethane   
862 NF3H+ protonated nitrogen trifluoride 1A1C3v
863 AsF3H+ Arsenic trifluoride, protonated   
864 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
865 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
866 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
867 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
868 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
869 C2H4F2 1,2-difluoroethane 1AgC2H anti
870 C2H4F2 1,2-difluoroethane 1AC2 gauche
871 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
872 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
873 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
874 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
875 CH2BrCH2Cl 1-bromo-2-chloroethane   
876 CH2BrCH2Cl 1-bromo-2-chloroethane   
877 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
878 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
879 CH2CHCH2F Allyl Fluoride   
880 CH2CHCH2F Allyl Fluoride   
881 CH3CHCHF trans-1-Fluoro-1-propene   
882 CH2FCH2OH 2-fluoroethanol   
883 CH2ClCH2OH 2-Chloroethanol 1A'Cs
884 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
885 CH2FCH2CH3 1-Fluoropropane 1A'Cs
886 CH2FCH2CH3 1-Fluoropropane   
887 CH3CHFCH3 2-Fluoropropane 1A'Cs
888 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
889 B5H9 pentaborane9   
890 C5H4 pentatetraene   
891 C5H6 Propellane 1A1D3h
892 C5H8 Bicyclo[1.1.1]pentane   
893 C5H8 Ethenylcyclopropane 1A'Cs
894 CH2N4 1H-Tetrazole 1A'Cs
895 C3H4N2 1H-Imidazole 1A'Cs
896 C3H4N2 2H-Imidazole 1A1C2v
897 C3H4N2 4H-Imidazole 1A'Cs
898 C4H5N Pyrrole 1A1C2v
899 C4H6N+ pyrrole, alpha-protonated 1A'Cs
900 C4H6N+ pyrrole, beta-protonated 1A'Cs
901 C4H6N+ pyrrole, protonated 1A1C2v
902 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
903 CH3CH2CH2CN Butanenitrile 1A'Cs
904 NH(C2H5)2 diethylamine 1A'Cs
905 C3O2 Carbon suboxide 1ΣGD∞h
906 B2O3 diboron trioxide   
907 B2O3 diboron trioxide   
908 MgCO3 Magnesium Carbonate 1A1C2v
909 BeCO3 Beryllium Carbonate 1A1C2v
910 CHOOCHO diformyl ether   
911 C3H3NO Isoxazole 1A'Cs
912 C3H3NO Oxazole 1A'Cs
913 C3H3NS Thiazole   
914 C4H4O Furan 1A1C2
915 CH3COCCH 3-butyn-2-one 1A'Cs
916 C4H4Se selenophene   
917 CH3OCH2CN Methoxyacetonitrile 1A'Cs
918 CH3OCH2CN Methoxyacetonitrile 1AC1
919 CH3SO2NH2 methanesulfonamide 1A'Cs
920 CH2CHSCHCH2 Divinyl sulfide   
921 HCOOC2H5 Ethyl formate 1A'Cs
922 C2H6O2S Dimethyl sulfone 1A1C2v
923 C4H8S Thiophene, tetrahydro- 1AC1
924 C4H10O Ethoxy ethane 1A1C2v
925 C4H10O Methyl propyl ether 1AC1
926 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
927 C4H9SH 1-Butanethiol   
928 BrONO2 Bromine nitrate 1A'Cs
929 CF3Cl Methane, chlorotrifluoro- 1A1C3v
930 CF2Cl2 difluorodichloromethane 1A1C2v
931 TiF4 Titanium tetrafluoride 1A1Td
932 CF3Br Bromotrifluoromethane 1A1C3v
933 GeF4 Germanium tetrafluoride 1A1Td
934 CCl4 Carbon tetrachloride 1A1Td
935 CBrCl2F bromodichlorofluoromethane   
936 CBr2ClF dibromochlorofluoromethane   
937 CBr2Cl2 dibromodichloromethane 1A1C2v
938 CFBr3 fluorotribromomethane 1A1C3v
939 CBr3Cl tribromochloromethane 1A1C3v
940 CBr4 Carbon tetrabromide 1A1Td
941 SiBr4 Silicon tetrabromide 1A1Td
942 GeBr4 Germanium tetrabromide   
943 ClOF3 Chlorine trifluoride oxide 1A'Cs
944 SF4 Sulfur tetrafluoride 1A1C2v
945 SeF4 Selenium tetrafluoride   
946 SCl4 Sulfur tetrachloride   
947 CH2ClCCCl 1,3-dichloropropyne   
948 CHCl2CCH 3,3-dichloropropyne   
949 CHCl2CHO dichloroacetaldehyde   
950 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
951 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
952 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
953 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
954 CH2FCH2CH2F 1,3-difluoropropane   
955 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
956 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
957 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
958 C2H2N2O Furazan   
959 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
960 NH3BF3 Amminetrifluoroboron 1A1C3v
961 C6H2 hexatriyne 1ΣgD∞h
962 C6H6 Prismane   
963 C6H6 1,2,4,5-Hexatetraene 1AgC2h
964 C6H6 Benzene 1A1gD6h
965 C6H6 Benzvalene 1A1C2v
966 C6H6 Dewar Benzene   
967 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
968 C6H7+ benzene, protonated 1A1C2v
969 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
970 C6H10 1,5-Hexadiene 1AgC2
971 C6H10 3-Hexyne 1A1C2v
972 C6H12 2,3-dimethylbut-1-ene 1A'C2
973 C6H12 hex-1-ene 1A'Cs
974 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
975 C4H2N2 Fumaronitrile 1AgC2h
976 C5H6N+ Pyridinium 1A1C2v
977 MgSO4 Magnesium Sulfate 1A1C2v
978 N2O4 Dinitrogen tetroxide 1AgD2d
979 C3H2O3 vinylene carbonate   
980 C2H2O4 Oxalic Acid 1AgC2h
981 C2H4N2S2 Ethanedithioamide 1AGC2h
982 C2H4O4 Formic acid dimer 1AGC2h
983 C2H5NO3 Nitric acid, ethyl ester 1A'C1
984 C5H6O 2H-Pyran   
985 C5H6O Pentadienal   
986 C4H6O2 γ–Butyrolactone 1AC1
987 C3H6O3 1,3,5-Trioxane 1A1C1
988 C3H6S3 1,3,5-Trithiane 1A1C3v
989 HCONH2CN2H4 formamide aminomethanimine dimer 1AC1
990 C5H8O Cyclopentanone 1AC2
991 C5H8O Methyl cyclopropyl ketone 1A'Cs
992 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
993 C4H8O2 Ethyl acetate 1A'Cs
994 C5H10O 2-methylbutyraldehyde 1AC1
995 C5H10O 3-Pentanone 1A1C2v
996 C4F2 difluorobutadiyne   
997 ClCOClCO Oxalyl chloride 1AGC2h
998 B2Cl4 Diboron tetrachloride 1A1D2
999 C2ClF3 Ethene, chlorotrifluoro-   
1000 CF2CCl2 difluorodichloroethylene 1A1C2v
1001 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1002 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1003 C2Br4 tetrabromoethene   
1004 CF3OF Trifluoromethylhypofluorite 1A'Cs
1005 SiF5- silicon pentafluoride anion   
1006 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1007 PF5 Phosphorus pentafluoride 1A1'D3h
1008 SF5+ pentafluoro sulfur cation 1A1'D3h
1009 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1010 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1011 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1012 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1013 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1014 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1015 C4H3ClO Furan, 2-chloro 1A'Cs
1016 C4H3ClO Furan,3-chloro 1A'Cs
1017 C4H8O2 Butanoic acid 1AC1
1018 C7H7 cycloheptatrienyl radical 2A2C2v
1019 C7H7+ cycloheptatrienyl cation 1A1'D7h
1020 CH(CN)3 tricyanomethane   
1021 HN=C=C(CN)2 Dicyanoketenimine   
1022 C5H4O2 furfural 1A'OCCO cis
1023 C5H4O2 furfural 1A'OCCO trans
1024 C6H6O 2,5-Cyclohexadienone 1A1C2v
1025 C5H8O2 Acetylacetone 1AC2
1026 C7H10 Norbornene   
1027 C6H12O Oxepane   
1028 F2CCCF2 tetrafluoroallene   
1029 CF3COO- trifluoro acetate anion 1A'Cs
1030 CF3COF trifluoroacetyl fluoride 1A'Cs
1031 PF6 Hexafluorophosphate neutral 2B2C2v
1032 PF6- Hexafluorophosphate ion 1A1GOh
1033 SF6 Sulfur Hexafluoride 1A1GOh
1034 SeF6 Selenium hexafluoride 1A1GOh
1035 CF3CHF2 pentafluoroethane 1A'Cs
1036 C8H8 cubane 1A1GOh
1037 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1038 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1039 S4N4 Tetrasulfur tetranitride   
1040 C6H5CHO benzaldehyde 1A'Cs
1041 C5H9NO2 Proline 1AC1
1042 C2Cl6 hexachloroethane 1A1gD3d
1043 C6H4F2 1,4-difluorobenzene 1AgD2h
1044 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1045 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1046 C6H4Cl2 1,4-dichlorobenzene   
1047 C6H5NO nitrosobenzene 1A'Cs
1048 C9H20 Nonane 1A1C2v
1049 C3H3N3O3 cyanuric acid 1A1'D3h
1050 C3F6 hexafluoropropene   
1051 C8H18O 1-Octanol   
1052 C10H8 Azulene 1A1C2v
1053 C10H8 naphthalene 1AgD2h
1054 C10H10 bullvalene   
1055 C10H22 Decane 1AGC2h
1056 B12H12-- Dodecahydrododecaborate(2-)   
1057 C12H8 biphenylene 1AgD2h
1058 C6H12O6 Inositol 1A1GD3d
1059 S2F10 disulphur decafluoride   
1060 C13H10 Fluorene   
1061 C14H14 Bibenzyl 1AC2
1062 C6H5COC6H5 benzophenone 1AC2
1063 C19H16 Triphenylmethane 1AC3
1064 C60 Buckminsterfullerene 1AGIh

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 D2 Deuterium diatomic d2  
5 HD Deuterium hydride hd  
6 H3+ hydrogen trimer cation h3+  
7 He- Helium atom anion he-  
8 HeH Helium hydride heh  
9 Na- Sodium atom anion na-  
10 K- Potassium atom anion k-  
11 K+ Potassium atom cation k+  
12 Cu- Copper atom anion cu-  
13 Cu+ Copper atom cation cu+  
14 LiH- lithium hydride anion lih-  
15 NaH sodium hydride nah  
16 NaH- sodium hydride anion nah-  
17 NaH+ sodium hydride cation nah+  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Be- Beryllium atom anion be-  
21 Mg- Magnesium atom anion mg-  
22 Ca- Calcium atom anion ca-  
23 Ca+ Calcium atom cation ca+  
24 Zn- Zinc atom anion zn-  
25 Zn+ Zinc atom cation zn+  
26 BeH- berylium monohydride anion beh-  
27 BeH+ beryllium monohydride cation beh+  
28 MgH- magnesium monohydride anion mgh-  
29 MgH+ magnesium monohydride cation mgh+  
30 CaH Calcium monohydride cah  
31 CaH+ Calcium monohydride cation cah+  
32 ZnH Zinc monohydride znh  
33 BeH2 beryllium dihydride beh2  
34 CaH2 Calcium Hydride cah2  
35 ZnH2 Zinc hydride znh2  
36 B- Boron atom anion b-  
37 BH- boron monohydride anion bh-  
38 BH+ boron monohydride cation bh+  
39 AlH aluminum monohydride alh  
40 AlH- aluminum monohydride anion alh-  
41 AlH+ aluminum monohydride cation alh+  
42 BH2 boron dihydride bh2  
43 BH2- boron dihydride anion bh2-  
44 BH2+ Boron dihydride cation bh2+  
45 AlH2 aluminum dihydride alh2  
46 AlH2- aluminum dihydride anion alh2-  
47 AlH2+ aluminum dihydride cation alh2+  
48 BH3 boron trihydride bh3  
49 BH3- boron trihydride anion bh3-  
50 AlH3+ aluminum trihydride cation alh3+  
51 GaH3 Gallium trihydride gah3  
52 AlH4- Aluminum tetrahydride anion alh4-  
53 C- Carbon atom anion c-  
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 SiH- silicon monohydride anion sih-  
61 SiH2 silicon dihydride sih2  
62 SiH2- silicon dihydride anion sih2-  
63 SiH2+ silicon dihydride cation sih2+  
64 GeH2- germylene anion geh2-  
65 SiH3- Silyl anion sih3-  
66 CD4 methane-d4 cd4  
67 CH2D2 methane-d2 ch2d2  
68 CH3D methane-d ch3d  
69 CH4+ Methane cation ch4+  
70 CHD3 methane-d3 chd3  
71 SiH4+ Silane cation sih4+  
72 SnH4 Stannane snh4  
73 N- Nitrogen atom anion n-  
74 P- Phosphorus atom anion p-  
75 P+ Phosphorus atom cation p+  
76 Sb Antimony atom sb  
77 NH Imidogen nh  
78 NH- Imidogen anion nh-  
79 NH+ imidogen cation nh+  
80 PH- phosphorus monohydride anion ph-  
81 PH+ phosphorus monohydride cation ph+  
82 AsH+ Arsenic monohydride cation ash+  
83 SbH Antimony monohydride sbh  
84 ND2 Amidogen-d2 nd2  
85 NH2- amino anion nh2-  
86 PH2 Phosphino radical ph2  
87 PH2- Phosphino anion ph2-  
88 PH2+ Phosphino cation ph2+  
89 AsH2 Arsenic dihydride ash2  
90 AsH2+ Arsenic dihydride cation ash2+  
91 ND3 Ammonia-d3 nd3  
92 SbH3 Stibine sbh3  
93 O- Oxygen atom anion o-  
94 Cr Chromium atom cr  
95 Te Tellurium atom te  
96 Te+ Tellurium atom cation te+  
97 DO Hydroxyl-d od  
98 DS Mercapto-d ds  
99 TeH Telluryl radical teh  
100 D2O Deuterium oxide d2o  
101 D2S Hydrogen sulfide-d2 d2s  
102 H2S- Hydrogen sulfide anion h2s-  
103 H2Te Hydrogen Telluride h2te  
104 Mn Manganese atom mn  
105 I Iodine atom iodine  
106 I- Iodine atom anion iodine-  
107 I+ Iodine atom cation iodine+  
108 DF Hydrofluoric acid-d df  
109 DCl Hydrochloric acid-d dcl  
110 HI Hydrogen iodide hi  
111 HI+ Hydrogen iodide cation hi+  
112 H2F+ dihydrogen fluoride cation h2f+  
113 H2I+ Iodonium h2i+  
114 Ne- Neon atom anion ne-  
115 Ar- Argon atom anion ar-  
116 Ar+ Argon atom cation ar+  
117 Fe Iron atom fe  
118 Xe Xenon atom xe  
119 NeH+ neon hydrogen cation neh+  
120 XeH+ Xenon, protonated xeh+  
121 Co Cobalt atom cobalt  
122 Ni Nickel atom ni  
123 Li2 Lithium diatomic li2  
124 Li2- lithium diatomic anion li2-  
125 NaLi- lithium sodium anion lina-  
126 NaLi+ lithium sodium cation lina+  
127 LiK Lithium Potassium lik  
128 NaK Sodium Potassium nak  
129 K2 Potassium diatomic k2  
130 Cu2 Copper diatomic cu2  
131 LiBe Lithium Beryllium libe  
132 LiMg Lithium magnesium limg  
133 NaBe Sodium Beryllium nabe  
134 NaMg Sodium Magnesium namg  
135 Be2 Beryllium diatomic be2  
136 Be2- Beryllium diatomic anion be2-  
137 Be2+ Beryllium diatomic cation be2+  
138 Mg2 Magnesium diatomic mg2  
139 Mg2- magnesium diatomic anion mg2-  
140 Mg2+ magnesium diatomic cation mg2+  
141 Ca2 Calcium diatomic ca2  
142 B2- Boron diatomic anion b2-  
143 Al2 Aluminum diatomic al2  
144 Al2- aluminum diatomic anion al2-  
145 Al2+ aluminum diatomic cation al2+  
146 LiBH4 Lithium borohydride libh4  
147 Al2H6 dialane al2h6  
148 LiC Lithium Carbide lic  
149 BC boron monocarbide bc  
150 BC- boron monocarbide anion bc-  
151 BC+ boron monocarbide cation bc+  
152 C2- carbon diatomic anion c2-  
153 SiC silicon monocarbide sic  
154 SiC- silicon monocarbide anion sic-  
155 SiC+ silicon monocarbide cation sic+  
156 Si2 Silicon diatomic si2  
157 Si2- silcon diatomic anion si2-  
158 Si2+ silcon diatomic cation si2+  
159 Ge2 Germanium diatomic ge2  
160 C2H+ Ethynyl cation c2h+  
161 ZnCH2 Zinc methylene znch2  
162 CCH2 vinylidene vinylidene  
163 CuCH3 monomethyl copper cuch3  
164 ZnCH3 Zinc monomethyl znch3  
165 CH3CH methylmethylene ch3ch  
166 CH2SiH2 silaethylene ch2sih2  
167 C2H5- Ethyl anion c2h5-  
168 C2H5+ Ethyl cation c2h5+  
169 C2H6+ ethane cation c2h6+  
170 CH3SiH3 methyl silane ch3sih3  
171 GeH3CH3 methyl germane geh3ch3  
172 C2H7+ Ethane, protonated c2h7+  
173 LiN+ Lithium Nitride cation lin+  
174 BeN Beryllium mononitride ben  
175 BeN- Beryllium mononitride anion ben-  
176 BN- boron nitride anion bn-  
177 AlN- aluminum mononitride anion aln-  
178 AlN+ aluminum mononitride cation aln+  
179 GaN Gallium mononitride gan  
180 BN+ boron nitride cation bn+  
181 AlN Aluminum nitride aln  
182 CN+ Cyano cation cn+  
183 CP Carbon monophosphide cp  
184 CP- carbon monophosphide anion cp-  
185 CP+ carbon monophosphide cation cp+  
186 SiN Silicon nitride sin  
187 SiN- silicon mononitride anion sin-  
188 SiN+ silicon mononitride cation sin+  
189 SiP- Silicon monophosphide anion sip-  
190 SiP+ Silicon monophosphide cation sip+  
191 TiN Titanium mononitride tin  
192 N2+ diatomic nitrogen cation n2+  
193 PN- phosphorus nitride anion pn-  
194 PN+ phosphorus nitride cation pn+  
195 P2 Phosphorus diatomic p2  
196 P2- phosphorus diatomic anion p2-  
197 P2+ phosphorus diatomic cation p2+  
198 AsN Arsenic mononitride asn  
199 AsP Arsenic monophosphide asp  
200 SbN Antimony nitride sbn  
201 As2 Arsenic diatomic as2  
202 HNB hydrogen nitrogen boron hnb  
203 HNC hydrogen isocyanide hnc  
204 HCN- Hydrogen cyanide anion hcn-  
205 HCP Phosphaethyne hcp  
206 NNH Dinitrogen monohydride nnh  
207 HPO Hydrogen phosphorus oxide hpo  
208 HPO+ Hydrogen phosphorus oxide cation hpo+  
209 CNH2 Aminomethylidyne radical cnh2  
210 CNH2+ N-protonated hydrogen isocyanide cnh2+  
211 H2CN Dihydrogen cyanide radical h2cn  
212 H2CN+ hydrocyanonium cation h2cn+  
213 HCNH methyleneazane hcnh  
214 HCNH+ N-protonated HCN hcnh+  
215 CH2PH Phosphaethene ch3p  
216 P2H4 Diphosphine p2h4  
217 CH3PH2 Methyl phosphine ch3ph2  
218 CH3NH3+ protonated methylamine ch3nh3+  
219 LiO- lithium oxide anion lio-  
220 LiO+ lithium oxide cation lio+  
221 NaO- sodium oxide anion nao-  
222 NaO+ sodium oxide cation nao+  
223 CuO Copper Monoxide cuo  
224 BeO beryllium oxide beo  
225 BeO- Beryllium monoxide anion beo-  
226 BeO+ Beryllium monoxide cation beo+  
227 BeS beryllium sulfide bes  
228 MgO magnesium oxide mgo  
229 MgO- magnesium oxide anion mgo-  
230 MgO+ magnesium oxide cation mgo+  
231 MgS magnesium sulfide mgs  
232 MgS- magnesium sulfide anion mgs-  
233 MgS+ magnesium sulfide cation mgs+  
234 ZnO zinc monoxide zno  
235 ZnS Zinc sulfide zns  
236 BeS- Beryllium monosulfide anion bes-  
237 BeS+ Beryllium monosulfide cation bes+  
238 BO- boron monoxide anion bo-  
239 AlO Aluminum monoxide alo  
240 AlO- Aluminum monoxide anion alo-  
241 AlO+ aluminum monoxide cation alo+  
242 BS boron sulfide bs  
243 BS- boron monosulfide anion bs-  
244 BS+ boron monosulfide cation bs+  
245 AlS Aluminum sulfide als  
246 AlS- aluminum monosulfide anion als-  
247 AlS+ aluminum monosulfide cation als+  
248 BO+ boron monoxide cation bo+  
249 CS carbon monosulfide cs  
250 CS- carbon monosulfide anion cs-  
251 CS+ carbon monosulfide cation cs+  
252 SiO- silicon monoxide anion sio-  
253 SiO+ silicon monoxide cation sio+  
254 SiS- silicon monosulfide anion sis-  
255 SiS+ silicon monosulfide cation sis+  
256 CSe- Carbon monoselenide anion cse-  
257 CSe+ Carbon monoselenide cation cse+  
258 NS- nitrogen sulfide anion ns-  
259 NS+ nitrogen sulfide cation ns+  
260 PO- phosphorus monoxide anion po-  
261 PO+ phosphorus monoxide cation po+  
262 PS- phosphorus monosulfide anion ps-  
263 PS+ phosphorus monosulfide cation ps+  
264 AsO Arsenic monoxide aso  
265 O2+ diatomic oxygen cation o2+  
266 SO- sulfur monoxide anion so-  
267 S2- sulfur diatomic anion s2-  
268 S2+ sulfur diatomic cation s2+  
269 SeO- selenium monoxide anion seo-  
270 SeO+ selenium monoxide cation seo+  
271 SeS Selenium monosulfide ses  
272 SeS- selenium monosulfide anion ses-  
273 SeS+ selenium monosulfide cation ses+  
274 TeO Tellurium monoxide teo  
275 Se2- selenium diatomic anion se2-  
276 Se2+ selenium diatomic cation se2+  
277 Te2 Tellurium diatomic te2  
278 NaOH sodium hydroxide naoh  
279 MgOH magnesium hydroxide mgoh  
280 CaOH Calcium monohydroxide caoh  
281 HCS Thioformyl radical hcs  
282 HCS- Thioformyl anion hcs-  
283 HCS+ Thioformyl cation hcs+  
284 HNO- Nitrosyl hydride anion hno-  
285 HNS Sulfur imide hns  
286 HNS- Sulfur imide anion hns-  
287 HO2- Hydroperoxy anion ho2-  
288 HS2 Thiosulfeno radical hs2  
289 HOCH hydroxycarbene hoch  
290 H2O2+ Hydrogen peroxide cation h2o2+  
291 CH3O Methoxy radical ch3o  
292 CH3S thiomethoxy ch3s  
293 NH3O Ammonia Oxide nh3o  
294 H2POH Phosphinous acid h2poh  
295 H3PO Phosphine oxide h3po  
296 H3O2+ hydrogen peroxide, protonated h3o2+  
297 CH3SeH Methane selenol ch3seh  
298 CH3OH2+ Methanol, protonated ch3oh2+  
299 LiCl- lithium chloride anion licl-  
300 LiCl+ lithium chloride cation licl+  
301 NaF- sodium fluoride anion naf-  
302 KF Potassium Fluoride kf  
303 NaCl- sodium chloride anion nacl-  
304 NaCl+ sodium chloride cation nacl+  
305 KCl Potassium Chloride kcl  
306 CuF Copper monofluoride cuf  
307 LiBr- lithium bromide anion libr-  
308 LiBr+ lithium bromide cation libr+  
309 CuCl Copper monochloride cucl  
310 NaBr Sodium Bromide nabr  
311 NaBr- sodium bromide anion nabr-  
312 NaBr+ sodium bromide cation nabr+  
313 KBr Potassium Bromide kbr  
314 LiI Lithium Iodide lii  
315 NaI Sodium Iodide nai  
316 KI Potassium Iodide ki  
317 LiF- lithium fluoride anion lif-  
318 BeF Beryllium monofluoride bef  
319 BeF- Beryllium monofluoride anion bef-  
320 BeF+ Beryllium monofluoride cation bef+  
321 BeCl beryllium monochloride becl  
322 MgF Magnesium monofluoride mgf  
323 MgF- magnesium fluoride anion mgf-  
324 CaF Calcium monofluoride caf  
325 MgCl magnesium monochloride mgcl  
326 MgCl- magnesium monochloride anion mgcl-  
327 MgCl+ magnesium monochloride cation mgcl+  
328 CaCl calcium monochloride cacl  
329 ZnF- Zinc monofluoride anion znf-  
330 ZnF+ Zinc monofluoride cation znf+  
331 ZnCl Zinc monochloride zncl  
332 BeCl- beryllium monochloride anion becl-  
333 BeCl+ beryllium monochloride cation becl+  
334 BF- Boron monofluoride anion bf-  
335 BF+ Boron monofluoride cation bf+  
336 AlF- Aluminum monofluoride anion alf-  
337 AlF+ Aluminum monofluoride cation alf+  
338 BCl boron monochloride bcl  
339 BCl- boron monochloride anion bcl-  
340 BCl+ boron monochloride cation bcl+  
341 AlCl Aluminum monochloride alcl  
342 AlCl- aluminum monochloride anion alcl-  
343 AlCl+ aluminum monochloride cation alcl+  
344 BBr Boron monobromide bbr  
345 AlI Aluminum monoiodide ali  
346 CF- carbon monofluoride anion cf-  
347 CF+ carbon monofluoride cation cf+  
348 CCl carbon monochloride ccl  
349 CCl- carbon monochloride anion ccl-  
350 CCl+ carbon monochloride cation ccl+  
351 SiF- silicon monofluoride anion sif-  
352 SiCl- silicon monochloride anion sicl-  
353 SiCl+ silicon monochloride cation sicl+  
354 NF nitrogen fluoride nf  
355 NF- nitrogen monofluorine anion nf-  
356 NF+ nitrogen monofluoirde cation nf+  
357 NCl- nitrogen monochloride anion ncl-  
358 NCl+ nitrogen monochloride cation ncl+  
359 PF phosphorus monofluoride pf  
360 PF- phosphorus monofluoride anion pf-  
361 PF+ phosphorus monofluoride cation pf+  
362 PCl phosphorus chloride pcl  
363 PCl- phosphorus monochloride anion pcl-  
364 PCl+ phosphorus monochloride cation pcl+  
365 NBr nitrogen monobromide nbr  
366 SbF Antimony monofluoride sbf  
367 SbCl Antimony monochloride sbcl  
368 FO- flourine oxide anion fo-  
369 FO+ fluorine monoxide cation fo+  
370 ClO- chlorine monoxide anion clo-  
371 SF- sulfur monofluoride anion sf-  
372 SCl- sulfur monochloride anion scl-  
373 BrO- Bromine monoxide anion bro-  
374 IO Iodine monoxide io  
375 ClF- clorine monofluoride anion clf-  
376 Cl2- chlorine diatomic anion cl2-  
377 BrF- bromine fluoride anion brf-  
378 BrF+ bromine fluoride cation brf+  
379 BrCl- bromine chloride anion brcl-  
380 BrCl+ bromine chloride cation brcl+  
381 IF Iodine monofluoride if  
382 ICl Iodine monochloride icl  
383 IBr Iodine monobromide ibr  
384 I2 Iodine diatomic i2  
385 I2+ Iodine diatomic cation i2+  
386 HCCl Chloromethylene hccl  
387 CHBr bromomethylene chbr  
388 DOCl Hypochlorous acid-d docl  
389 HOBr Hypobromous acid hobr  
390 HOBr+ Hypobromous acid cation hobr+  
391 HOI Hypoiodous acid hoi  
392 FHF Hydrogen difluoride fhf  
393 FHF- Hydrogen difluoride anion fhf-  
394 NH2F monofluoroamine nh2f  
395 H2F2 Hydrogen fluoride dimer h2f2  
396 CD3F methylfluoride-d3 cd3f  
397 CD3Cl methyl chloride d3 cd3cl  
398 CH3I methyl iodide ch3i  
399 SiH3I Silyl Iodide sih3i  
400 Ne2 Neon diatomic ne2  
401 C3+ carbon trimer cation c3+  
402 C3H3 Propargyl radical propargyl  
403 C3H3- Propargyl anion c3h3-  
404 C3H3+ cyclopropenyl cation cpr+  
405 C3H3+ Propargyl cation c3h3+  
406 C3H5+ Allyl cation allyl+  
407 CH3CHCH 1-propenyl radical ch3chch  
408 Zn(CH3)2 dimethyl zinc dmz  
409 SiH2(CH3)2 dimethylsilane dms  
410 CuCN Copper cyanide cucn  
411 CN2 3H-Diazirin-3-ylidene cn2  
412 NCN Cyanoimidogen ncn  
413 N3- azide anion n3-  
414 HCNN diazomethyl radical hcnn  
415 CH2N2 diazirine ch2n2  
416 CH2NN diazomethane ch2nn  
417 CH3CN+ Acetonitrile cation ch3cn+  
418 CH3NC methyl isocyanide ch3nc  
419 CH3CHN methylmethaniminyl radical ch3chn  
420 C2H5N Aziridine c2h5n  
421 CH2CHNH2 aminoethene aminoethene  
422 CH2NCH3 N-methylmethanimine nmm  
423 CH3CHNH ethanimine ethanimine  
424 NH2BHNH2 diaminoborane nh2bhnh2  
425 NH2CH2NH2 diaminomethane nh2ch2nh2  
426 CH3NHCH3 Dimethylamine ch3nhch3  
427 NH2CH2NH3+ diaminoethane, protonated pdam  
428 Li2O+ dilithium oxide cation li2o+  
429 CNO- fulminate cno-  
430 NCO- cyanate nco-  
431 SCN thiocyanato radical scn  
432 SCN- thiocyanide anion scn-  
433 BO2 Boron dioxide bo2  
434 BO2- Boron dioxide anion bo2-  
435 BO2+ Boron dioxide cation bo2+  
436 N2O+ Nitrous oxide cation n2o+  
437 NNS Nitrogen sulfide nns  
438 PPO Phosphorus oxide phosphide ppo  
439 CO2- Carbon dioxide anion co2-  
440 CO2+ Carbon dioxide cation co2+  
441 OCS+ Carbonyl sulfide cation cos+  
442 SiO2 silicon dioxide sio2  
443 CS2- Carbon disulfide anion cs2-  
444 CS2+ Carbon disulfide cation cs2+  
445 GeS2 Germanium disulfide ges2  
446 SCTe Carbon sulfide Telluride scte  
447 NO2- Nitrogen dioxide anion no2-  
448 PO2 Phosphorus dioxide po2  
449 PO2- Phosphorus dioxide anion po2-  
450 PO2+ Phosphorus dioxide cation po2+  
451 AsO2 Aresenic dioxide aso2  
452 O3- Ozone anion o3-  
453 O3+ Ozone cation o3+  
454 SO2- Sulfur dioxide anion so2-  
455 SO2+ Sulfur dioxide cation so2+  
456 S3- Sulfur trimer anion s3-  
457 TeO2 Tellurium Dioxide teo2  
458 CS2H+ Carbon disulfide, protonated cs2h+  
459 HNCO Isocyanic acid hnco  
460 HOCN cyanic acid hocn  
461 HCO2- formate anion hco2-  
462 HNNO nitrosoazane hnno  
463 HCOO formate neutral radical hcoo  
464 HOCO+ Hydrocarboxyl cation hoco+  
465 HNO2 Nitrous acid hno2  
466 HNO2+ nitrous acid cation hno2+  
467 CH2CO+ Ketene cation ch2co+  
468 HCCOH ethynol hccoh  
469 Mg(OH)2 Magnesium dihydroxide h2mgo2  
470 CH2O2 Dioxirane diox  
471 H2O3 Hydrogen trioxide h2o3  
472 NaOCH3 Sodium methoxide naoch3  
473 CH2CHO Vinyloxy radical ch2cho  
474 CH3CO Acetyl radical ch3co  
475 CH3CO- Acetyl anion ch3co-  
476 CH3CO+ acetyl cation ch3co+  
477 CH2OOH CH2OOH radical ch2ooh  
478 CH3OO methylperoxy radical ch3oo  
479 CH3OO- methylperoxy anion ch3oo-  
480 CH3OO+ methylperoxy cation ch3oo+  
481 CH2CHOH ethenol ch2choh  
482 H2CONH2+ protonated formamide h2conh2+  
483 NH3CHO+ Formamide, N-Protonated nh3cho+  
484 CH2(OH)2 methanediol ch2o2h2  
485 CH3OOH Methyl peroxide ch3ooh  
486 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
487 CH3CH2O Ethoxy radical ethoxy  
488 CH3OCH2 methoxymethyl radical ch3och2  
489 ZnF2 Zinc difluoride znf2  
490 FCN Cyanogen fluoride fcn  
491 ClCN chlorocyanogen clcn  
492 ICN Cyanogen iodide icn  
493 BeF2 Beryllium fluoride bef2  
494 MgF2 Magnesium fluoride mgf2  
495 BeCl2 Beryllium chloride becl2  
496 MgCl2 Magnesium dichloride mgcl2  
497 CaCl2 Calcium Chloride cacl2  
498 ZnCl2 Zinc dichloride zncl2  
499 CaF2 Calcium difluoride caf2  
500 BrNO Nitrosyl bromide brno  
501 INO Nitrosyl iodide ino  
502 CF2- Difluoromethylene anion cf2-  
503 CF2+ Difluoromethylene cation cf2+  
504 CCl2 dichloromethylene ccl2  
505 CCl2- dichloromethylene anion ccl2-  
506 CCl2+ dichloromethylene cation ccl2+  
507 SiCl2 Dichlorosilylene sicl2  
508 GeF2 Germanium difluoride gef2  
509 FOO Dioxygen monofluoride radical foo  
510 ClOO chloroperoxy radical cloo  
511 ClOO+ chloroperoxy cation cloo+  
512 OClO+ Chlorine dioxide cation oclo+  
513 ClS2 Sulfur chloride cls2  
514 NF2 Difluoroamino radical nf2  
515 NF2+ Difluoroamino cation nf2+  
516 F2O Difluorine monoxide f2o  
517 SF2- sulfur difluoride anion sf2-  
518 SF2+ sulfur difluoride cation sf2+  
519 Cl2O Dichlorine monoxide cl2o  
520 SCl2 Sulfur dichloride scl2  
521 BrOCl Bromine hypochlorite brocl  
522 BrOBr Bromine oxide brobr  
523 F3- trifluoride anion f3-  
524 Cl3- trichloride anion cl3-  
525 I3- triiodide i3-  
526 HCCF+ fluoroacetylene cation hccf+  
527 HFCO formyl fluoride hfco  
528 COHCl Formyl chloride cohcl  
529 COHBr Formyl bromide cohbr  
530 BHF2 Difluoroborane bhf2  
531 BHCl2 Borane, dichloro- bhcl2  
532 HOClO Chlorous acid hoclo  
533 CH2FCl fluorochloromethane ch2fcl  
534 CH2FI fluoroiodomethane ch2fi  
535 CH2ClI chloroiodomethane ch2cli  
536 CH2BrI bromoiodomethane ch2bri  
537 CH2I2 Diiodomethane ch2i2  
538 CH2CHF+ fluoroethene cation ch2chf+  
539 C2H3Cl Ethene, chloro- ch2chcl  
540 C2H3Br vinyl bromide c2h3br  
541 C2H3I Vinyl iodide c2h3i  
542 CH3OCl methyl hypochlorite ch3ocl  
543 C2H5F fluoroethane c2h5f  
544 CH3CH2Cl Ethyl chloride c2h5cl  
545 CH3SiFH2 fluoromethylsilane ch3sifh2  
546 C2H5I Ethyl iodide c2h5i  
547 KrF2 Krypton difluoride krf2  
548 XeF2 Xenon difluoride xef2  
549 C4+ Carbon tetramer cation c4+  
550 C2H3CCH 1-Buten-3-yne c2h3cch  
551 C4H4 cyclobutadiene cbd  
552 H2CCCCH2 Butatriene h2cccch2  
553 C4H6 Cyclobutene c822355  
554 C4H6 Methylenecyclopropane c6142730  
555 CH2CCHCH3 1,2-Butadiene butad12  
556 CH2CHCHCH2 1,3-Butadiene c106990  
557 CH3CCCH3 2-Butyne c503173  
558 CH3CHCHCH2 methylallyl radical c4h7  
559 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
560 CH3CHCHCH3 2-Butene, (E)- bute2e  
561 CH3CHCHCH3 2-Butene, (Z)- bute2z  
562 B(CH3)3 trimethylborane bme3  
563 Al(CH3)3 trimethyl aluminum tma  
564 C(CH3)3 Tert-butyl radical tbutyl  
565 CH2CH(CH3)2 Isobutyl radical isobutyl  
566 CH3CHCH2CH3 2-Butyl radical butyl2  
567 CH3CH(CH3)CH3 Isobutane isobutane  
568 SiH(CH3)3 trimethylsilane trimsi  
569 C2N2+ Cyanogen cation c2n2+  
570 P4 Phosphorus tetramer p4  
571 HCCCN Cyanoacetylene hcccn  
572 C3H3N acrylonitrile ch2chcn  
573 C3H3N+ acrylonitrile cation ch2chcn+  
574 CH5N3 Guanidine guanidine  
575 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
576 CH6N3+ guanidinium ch6n3+  
577 C3H7N Cyclopropylamine cpram  
578 C3H7N Azetidine azet  
579 C2H8N2 Ethylenediamine ethdiam  
580 CH3NHNHCH3 dimethyl hydrazine dmh  
581 CH3CH(NH2)CH3 2-Propanamine pram2  
582 N(CH3)3 Trimethylamine trimeam  
583 As(CH3)3 trimethyl arsine tmas  
584 Li2O2 dilithium dioxide li2o2  
585 B2O2 Diboron dioxide b2o2  
586 CO3 Carbon trioxide co3  
587 CO3-- carbonate co3--  
588 NO3 Nitrogen trioxide no3  
589 NO3+ nitrogen trioxide cation no3+  
590 SO3- Sulfur trioxide anion so3-  
591 SO3+ Sulfur trioxide cation so3+  
592 SeO3 selenium trioxide seo3  
593 TeO3 Tellurium trioxide teo3  
594 HCO3- bicarbonate anion hco3-  
595 HSO3 Hydroxysulfonyl radical hso3  
596 C2H2CO cyclopropenone c2h2co  
597 HCCCHO 2-propynal hcccho  
598 C2H2O2+ Ethanedial cation c2h2o2+  
599 H2CO3 Carbonic acid h2co3  
600 H2CS3 thiocarbonic acid h2cs3  
601 H2NO3+ Nitric Acid, Protonated h2no3+  
602 CH3COO- acetate anion ch3coo-  
603 CH3ONO Methyl nitrite ch3ono  
604 H3BO3 Boric acid h3bo3  
605 H3CO3+ carbonic acid, protonated h3co3+  
606 C3H4O 2-Propyn-1-ol c107197  
607 C3H4O allenol c9000071  
608 C3H4O Cyclopropanone cpone  
609 C3H4O Methylketene c6004440  
610 NH2CONH2+ Urea cation urea+  
611 NH2CSNH2 Thiourea thiourea  
612 C2H4O2 1,3-dioxetane c2h4o2  
613 CH3COOH Acetic acid ch3cooh  
614 CH3OCHO methyl formate ch3ocho  
615 CHOCH2OH hydroxy acetaldehyde haa  
616 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
617 CH3CONH2 Acetamide acetamide  
618 C2H5OO ethylperoxy radical c2h5oo  
619 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
620 C3H6O Propylene oxide prox  
621 CH3COCH3- acetone anion ch3coch3-  
622 C3H6S Thietane thietane  
623 C3H6S Thiirane, methyl- methiirane  
624 CH3CSCH3 Thioacetone ch3csch3  
625 C2H6O2 1,2-Ethanediol ethdiol  
626 CH3OOCH3 dimethylperoxide dmp  
627 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
628 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
629 CH3COHCH3+ acetone, protonated acetoneh+  
630 HOCH2CH2NH2 monoethanolamine mea  
631 CH3CHOHCH3 Isopropyl alcohol isoproh  
632 C3H7SH 1-Propanethiol prsh  
633 CH3CHSHCH3 2-Propanethiol isoprsh  
634 CH3SCH2CH3 Ethane, (methylthio)- etsme  
635 Na2F2 Sodium Fluoride Dimer na2f2  
636 Na2Cl2 Disodium dichloride na2cl2  
637 C2F2 difluoroacetylene c2f2  
638 C2Cl2 dichloroacetylene c2cl2  
639 C2Cl2+ dichloroacetylene cation c2cl2+  
640 ClNO2 Nitryl chloride clno2  
641 BrONO Bromine nitrite brono  
642 N2F2 (Z)-Difluorodiazene n2f2_z  
643 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
644 COFCl Carbonic chloride fluoride cofcl  
645 CCl2O Phosgene cl2co  
646 Cl2CS Thiophosgene cl2cs  
647 COBr2 Carbonic dibromide cobr2  
648 BF3- Borane, trifluoro- anion bf3-  
649 AlF2Cl Aluminum chloride difluoride alclf2  
650 AlFCl2 Aluminum dichloride fluoride alcl2f  
651 AlCl3 Aluminum trichloride alcl3  
652 BBr3 Boron tribromide bbr3  
653 AlBr3 Aluminum Bromide albr3  
654 ClO3 Chlorine trioxide clo3  
655 ClO3- chlorate anion clo3-  
656 BrO3- Bromate anion bro3-  
657 CF3 Trifluoromethyl radical cf3  
658 CCl3 Trichloromethyl radical ccl3  
659 CCl3- Trichloromethyl anion ccl3-  
660 CCl3+ Trichloromethyl cation ccl3+  
661 SiCl3 trichlorosilyl radical sicl3  
662 SiCl3+ trichlorosilyl cation sicl3+  
663 FOOF Perfluoroperoxide foof  
664 F2SO Thionyl Fluoride f2so  
665 FSSF Difluorodisulfane fssf  
666 S2F2 Thio-thionyl fluoride s2f2  
667 SOCl2 thionyl chloride socl2  
668 SeOCl2 selenium oxychloride seocl2  
669 NF3- Nitrogen trifluoride anion nf3-  
670 NF3+ Nitrogen trifluoride cation nf3+  
671 PF3 Phosphorus trifluoride pf3  
672 AsF3 Arsenic trifluoride asf3  
673 PCl3 Phosphorus trichloride pcl3  
674 SbF3 Antimony Trifluoride sbf3  
675 SbCl3 Antimony Trichloride sbcl3  
676 PBr3 Phosphorus tribromide pbr3  
677 AsBr3 Arsenic tribromide asbr3  
678 NI3 Nitrogen triiodide ni3  
679 PI3 Phosphorus triiodide pi3  
680 ClSSCl Disulfur dichloride s2cl2  
681 SF3 Sulfur trifluoride sf3  
682 BrF3 Bromine trifluoride brf3  
683 IF3 iodone trifluoride if3  
684 CHF2Cl difluorochloromethane chf2cl  
685 CHFCl2 fluorodichloromethane chfcl2  
686 CDCl3 trichloromethane-d cdcl3  
687 SiHCl3 Trichlorosilane sihcl3  
688 CHF2I difluoroiodomethane chf2i  
689 CHFClI fluorochloroiodomethane chfcli  
690 CHCl2I dichloroiodomethane chcl2i  
691 CHClBr2 Methane, dibromochloro- chclbr2  
692 CHBr3 bromoform chbr3  
693 CHI3 Iodoform chi3  
694 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
695 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
696 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
697 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
698 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
699 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
700 C2H2Br2 1,1-dibromoethene c2h2br2  
701 CH2FCHO Fluoroacetaldehyde ch2fcho  
702 CH3COF Acetyl fluoride ch3cof  
703 CH2ClCHO chloroacetaldehyde ch2clcho  
704 CH3COCl Acetyl Chloride ch3cocl  
705 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
706 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
707 CH2CFCH3 2-fluoropropene 2fpro  
708 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
709 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
710 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
711 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
712 CH3CH2CH2Br n-propyl bromide prbr  
713 CH3CHBrCH3 i-propyl bromide iprbr  
714 C3H9O+ trimethyl oxonium cation c3h9o+  
715 C5H5 cyclopentadienyl radical c5h5  
716 C5H5- cylopentadienyl anion c5h5-  
717 C5H6 1,3-Cyclopentadiene c542927  
718 C5H6 1-Buten-3-yne, 2-methyl- c78808  
719 C5H6 3-Penten-1-yne, (E)- c2004695  
720 C5H6 3-Penten-1-yne, (Z)- c1574409  
721 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
722 C5H6 Cyclopropylacetylene c6746947  
723 C5H7 1,3-pentadienyl radical pdyl  
724 C5H7 cyclopentenyl radical cpyl  
725 C5H8 1,2-Butadiene, 3-methyl- c598254  
726 C5H8 1,2-Pentadiene c591957  
727 C5H8 1,3-Butadiene, 2-methyl- c78795  
728 C5H8 1,3-Pentadiene, (E)- c2004708  
729 C5H8 1,3-Pentadiene, (Z)- c1574410  
730 C5H8 1,4-Pentadiene c591935  
731 C5H8 1-pentyne a1pentyne  
732 C5H8 2,3-Pentadiene c591968  
733 C5H8 Cyclobutane, methylene- c1120565  
734 C5H8 Cyclopentene c142290  
735 CH3CCCH2CH3 2-Pentyne 2pentyne  
736 C5H10 1-Butene, 2-methyl- c563462  
737 C5H10 2-Butene, 2-methyl- c513359  
738 C5H10 2-Pentene, (E)- c646048  
739 C5H10 2-Pentene, (Z)- c627203  
740 C5H10 Cyclopentane c287923  
741 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
742 CH2CHCH2CH2CH3 1-pentene pentene  
743 C5H11 2-Methylbut-2-yl radical c4348350  
744 C5H12 Butane, 2-methyl- buta2  
745 C5H12 Pentane pentane  
746 C5H12 Propane, 2,2-dimethyl- neopentane  
747 Si(CH3)4 tetramethylsilane tms  
748 N2O3 Dinitrogen trioxide n2o3  
749 C3H2N2 Malononitrile c3h2n2  
750 C3H3N2 imidazolyl radical im  
751 C3H3N2- imidizolyl anion im-  
752 C2H3N3 1H-1,2,4-Triazole c288880  
753 C4H4N pyrrolide radical c4h4n  
754 C4H4N- pyrrolide anion c4h4n-  
755 C3H4N2 1H-Pyrazole 1hpyraz  
756 C4H5N (E)-2-Butenenitrile c627269  
757 C4H5N (Z)-2-Butenenitrile c1190767  
758 C4H5N 2H-pyrrole pyrrole2  
759 C4H5N 3H-pyrrole pyrrole3  
760 C4H5N Cyclopropanecarbonitrile c5500210  
761 CH2CHCH2CN Allylcyanide ch2chch2cn  
762 C3H6N2 3-Aminopropionitrile c151188  
763 C5H8 Bicyclo[2.1.0]pentane c185944  
764 C5H8 Spiropentane c157404  
765 C4H9N Cyclobutylamine cbam  
766 C4H9N Pyrrolidine pyrrolidine  
767 C3H10N2 1,2-Diaminopropane diampr12  
768 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
769 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
770 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
771 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
772 NC4H12+ tetramethyl ammonium cation nc4h12+  
773 C3O2+ Carbon suboxide cation c3o2+  
774 CaCO3 Calcium Carbonate caco3  
775 ONONO Nitrosyl nitrite onono  
776 PO4--- phosphate po4---  
777 SO4-- sulfate so4--  
778 HOONO2 peroxy nitric acid hoono2  
779 HSO4- bisulfate anion hso4-  
780 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
781 C3H2O2 Propiolic acid c3h2o2  
782 CHOCOOH oxo acetic acid oaa  
783 H2SO4 Sulfuric acid h2so4  
784 H2SeO4 Selenic acid h2seo4  
785 CH3C(O)OO acetyl peroxy radical ch3coo2  
786 CH3NO3 Methyl nitrate ch3no3  
787 H3PO4 Phosphoric Acid h3po4  
788 C4H4O+ Furan cation furan+  
789 C4H4S Thiophene furans  
790 C3H4O2 β–Propiolactone beta  
791 C3H4O2 2-Propenoic acid propenoic2  
792 C3H4O2 Methyl glyoxal megly  
793 C3H4O2 propanedial propanedial  
794 C3H4O2 propenalol propenalol  
795 HOCHCCHOH allenediol aldiol  
796 C2H4O3 1,2,3-trioxolane c2h4o3  
797 C2H4O3 trioxolane124 triox  
798 HOCH2COOH Hydroxyacetic acid hac  
799 CH2CHCONH2 Acrylamide c79061  
800 CH5N3S Hydrazinecarbothioamide c79196  
801 H2NCH2COOH Glycine glycine  
802 C4H6O cis-2-butenal butenal2c  
803 C4H6O Cyclobutanone cbutone  
804 C4H6O Furan, 2,3-dihydro- furan23h  
805 C4H6O Furan, 2,5-dihydro- furan25h  
806 CH2CHOCHCH2 Vinyl ether vinylether  
807 CHOCHCHCH3 2-Butenal butenal2  
808 C4H6S Thiophene, 2,3-dihydro- thiop23h  
809 C4H6S Thiophene, 2,5-dihydro- thiop25h  
810 C2H6N2O Urea, methyl- c598505  
811 C3H6O2 1,3-Dioxolane dioxolane  
812 CH3CH2COOH Propanoic Acid propanoic  
813 CH3COOCH3 methyl acetate aame  
814 CH3SSSCH3 dimethyl trisulfide c2h6s3  
815 C3H7NO dimethylformamide dmf  
816 C3H7NO Propanamide propanam  
817 C2H3OC2H5 Ethene, ethoxy- c109922  
818 C4H8O Cyclobutanol c2919235  
819 C4H8O Furan, tetrahydro- thf  
820 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
821 CH3COCH2CH3 2-Butanone buta2one  
822 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
823 CHOCH2CH2CH3 Butanal butanal  
824 C3H8O2 1,3-Propanediol c504632  
825 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
826 C3H8O2 Methane, dimethoxy- c109875  
827 C3H8O2 Propylene glycol c57556  
828 C3H8S2 1,3-Propanedithiol c109808  
829 C4H10O 1-Butanol butanol1  
830 C4H10O 1-Propanol, 2-methyl- c78831  
831 C4H10O 2-Butanol, (.+/-.)- butanol2  
832 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
833 C4H10O Propane, 2-methoxy- c598538  
834 C4H10O+ 1-Butanol cation butanol1+  
835 C2H5SC2H5 Diethyl sulfide etset  
836 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
837 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
838 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
839 FNO3 Fluorine nitrate fno3  
840 ClONO2 Chlorine nitrate clono2  
841 TiCl4 Titanium tetrachloride ticl4  
842 ClO4- perchlorate anion clo4-  
843 BF4- tetrafluoroboron anion bf4-  
844 ClFO3 Perchloryl fluoride clfo3  
845 SO2F2 Sulfuryl fluoride so2f2  
846 SO2Cl2 Sulfuryl chloride so2cl2  
847 F3NO Nitrogen trifluoride oxide f3no  
848 F3PO Phosphoryl fluoride pf3o  
849 Cl3PO Phosphoryl chloride pcl3o  
850 CF4 Carbon tetrafluoride cf4  
851 SiF4 Silicon tetrafluoride sif4  
852 CFCl3 Trichloromonofluoromethane cfcl3  
853 CCl4+ Carbon tetrachloride cation ccl4+  
854 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
855 SiCl4 Silane, tetrachloro- sicl4  
856 CF3I trifluoroiodomethane cf3i  
857 CBrCl3 Methane, bromotrichloro- cbrcl3  
858 CBr2F2 Methane, dibromodifluoro- cbr2f2  
859 GeCl4 Germanium Tetrachloride gecl4  
860 CCl3I trichloroiodomethane ccl3i  
861 CFClBrI fluorochlorobromoiodomethane cfclbri  
862 CF2I2 difluorodiiodomethane cf2i2  
863 CCl2I2 dichlorodiiodomethane ccl2i2  
864 CBr3I tribromoiododmethane cbr3i  
865 CI4 tetraiodomethane ci4  
866 SiI4 silicon tetraiodide sii4  
867 C2HF3 Trifluoroethylene c2hf3  
868 C2HF3+ Trifluoroethylene cation c2hf3+  
869 CHClCCl2 Trichloroethylene chclccl2  
870 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
871 HClO4 perchloric acid hclo4  
872 HSO3F Fluorosulfonic acid hso3f  
873 CF3OH trifluoromethanol cf3oh  
874 CHClCCHCl 1,3-dichloroallene chclcchcl  
875 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
876 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
877 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
878 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
879 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
880 SiCl3CH3 methyltrichlorosilane sicl3ch3  
881 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
882 NH3BCl3 Amminetrichloroboron nh3bcl3  
883 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
884 C3H5ClO Oxirane, (chloromethyl)- c106898  
885 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
886 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
887 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
888 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
889 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
890 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
891 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
892 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
893 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
894 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
895 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
896 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
897 C4H9F 1-fluorobutane butaf1  
898 CH3CHFCH2CH3 2-fluorobutane butaf2  
899 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
900 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
901 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
902 XeF4 Xenon tetrafluoride xef4  
903 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
904 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
905 C6H4 Benzyne benzyne  
906 C6H5 phenyl phenyl  
907 C6H5- phenyl anion phenyl-  
908 C6H6 2,4-Hexadiyne hexadiyne  
909 C6H6 3,4-Dimethylenecyclobutene cb34m  
910 C6H6 Trimethylenecycopropane tmcp  
911 C6H6+ Benzene cation c6h6+  
912 C6H8 (E)-hexa-1,3,5-triene c821078  
913 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
914 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
915 C6H8 1,3-Cyclohexadiene cyhexadiene13  
916 C6H8 1,4-Cyclohexadiene cyhexadiene14  
917 C6H8 3-Methylenecyclopentene c930267  
918 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
919 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
920 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
921 C6H10 1,3-Hexadiene, (E)- hexdi13e  
922 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
923 C6H10 1,4-Hexadiene, (E)- hexdi14t  
924 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
925 C6H10 1-Butyne, 3,3-dimethyl- c917920  
926 C6H10 1-Hexyne hexyne1  
927 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
928 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
929 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
930 C6H10 2-Hexyne c764352  
931 C6H10 cyclohexene cyclohexene  
932 C6H10 Cyclopentene, 1-methyl- c693890  
933 C6H10 Cyclopentene, 3-methyl- c1120623  
934 C6H10 Cyclopentene, 4-methyl- c1759815  
935 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
936 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
937 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
938 C6H12 (E)-2-Hexene e2hexene  
939 C6H12 (E)-3-methylpent-2-ene c616126  
940 C6H12 (E)-hex-3-ene e3hexene  
941 C6H12 (Z)-3-methylpent-2-ene c922623  
942 C6H12 (Z)-hex-2-ene z2hexene  
943 C6H12 (Z)-hex-3-ene z3hexene  
944 C6H12 2,3-dimethyl-but-2-ene tmeet  
945 C6H12 3-methylenepentane c760214  
946 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
947 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
948 C6H12 Cyclohexane cyclohexane  
949 C6H12 Cyclopentane, methyl- c96377  
950 C6H12 Ethylcyclobutane c4806615  
951 C6H14 Butane, 2,2-dimethyl- buta22  
952 C6H14 Butane, 2,3-dimethyl- buta23  
953 C6H14 Hexane hexane  
954 C6H14 Pentane, 2-methyl- penta2  
955 C6H14 Pentane, 3-methyl- penta3  
956 C4N2 2-Butynedinitrile c4n2  
957 C2H2N4 sym-tetrazine ttz  
958 C3H3N3 1,3,5-Triazine triazine135  
959 CH3N5 5-Aminotetrazole c4418615  
960 C4H4N2 1,3-Diazine diazine13  
961 C4H4N2 Pyrazine pyrazine  
962 C4H4N2 Pyridazine pyridazine  
963 C4H4N2 Succinonitrile c110612  
964 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
965 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
966 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
967 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
968 C5H5N E-2,4-pentadienenitrile bdcn  
969 C5H5N Pyridine pyridine  
970 B3N3H6 borazine borazine  
971 C6H6 Fulvene fulvene  
972 C4H6N2 1H-Imidazole, 2-methyl- c693981  
973 C5H7N (E)-2-Pentenenitrile c26294984  
974 C5H7N (E)-3-Pentenenitrile c16529661  
975 C5H7N (Z)-2-Pentenenitrile c25899507  
976 C5H7N 1H-Pyrrole, 1-methyl- c96548  
977 C5H7N Cyclobutanecarbonitrile c4426113  
978 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
979 C5H9N Butanenitrile, 2-methyl- c18936179  
980 C5H9N Pentanenitrile c110598  
981 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
982 C6H10 Bicyclo[3.1.0]hexane c285585  
983 C5H11N Cyclopentanamine cypentam  
984 C5H11N Piperidine piper  
985 C4H12N2 1,2-Butanediamine c4426486  
986 C4H12N2 2-Methyl-1,2-propanediamine c811938  
987 Li2CO3 Lithium Carbonate li2co3  
988 Na2CO3 Sodium Carbonate na2co3  
989 C2O4-- oxalate anion c2o4  
990 C2H3NO3 Oxamic acid oxamic  
991 C4H4O2 2(5H)-Furanone furanone  
992 C4H4O2 2-Oxetanone, 4-methylene- c674828  
993 C2H4N2O2 Oxalamide oxalamide  
994 C2H4CO3 Ethylene carbonate etco3  
995 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
996 C3H4S3 1,3-Dithiolane-2-thione c822388  
997 C4H5NO 3-Methylisoxazole isox3m  
998 C4H5NO Isoxazole, 5-methyl- c5765446  
999 C4H5NS 4-Methylthiazole c693958  
1000 C5H6O 2-methylfuran furan2m  
1001 C5H6O 3-Methylfuran furan3m  
1002 C5H6S Thiophene, 2-methyl- c554143  
1003 C5H6S Thiophene, 3-methyl- c616444  
1004 C4H6O2 2,3-Butanedione c431038  
1005 C4H6O2 2-Propenoic acid, methyl ester c96333  
1006 C4H6O2 Crotonic Acid crot  
1007 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1008 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1009 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1010 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1011 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1012 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1013 C4H6OS Vinyl sulfoxide c1115157  
1014 CH6N4S Carbonothioic dihydrazide thiacarb  
1015 C2H6N2O2 (E)-Azodioxymethane c37765154  
1016 C2H6N2O2 Dimethylnitroamine c4164287  
1017 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1018 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1019 C4H7NO 2-Pyrrolidinone c616455  
1020 C4H7NO Ethoxyacetonitrile etoaccn  
1021 C4H7NO Methacrylamide c79390  
1022 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1023 C3H7ONO Propyl nitrite prono  
1024 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1025 CH3CH(NH2)COOH Alanine alanine  
1026 CH3NHCH2COOH Sarcosine sarcosine  
1027 NH2CH2CH2COOH β–alanine betaalanine  
1028 NH2COOC2H5 Urethane urethane  
1029 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1030 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1031 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1032 NH2CONHC2H5 Urea, ethyl- c625525  
1033 C4H8O2 1,3-Dioxane dioxan13  
1034 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1035 C4H8O2 1,4-Dioxane dioxan14  
1036 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1037 C4H8OS s-Ethyl thioacetate c625605  
1038 C3H8O3 1,2,3-Propanetriol glycerin  
1039 C3H8O2S (Methylsulfonyl)ethane c594434  
1040 C4H9NO Butanamide c541355  
1041 C4H9NO Propanamide, 2-methyl- c563837  
1042 C5H10O 2-Butanone, 3-methyl- c563804  
1043 C5H10O 2H-Pyran, tetrahydro- c142687  
1044 C5H10O 2-Pentanone mpk  
1045 C5H10O Cyclopentanol c96413  
1046 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1047 C5H10O Pentanal pal  
1048 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1049 C5H10S 3-Ethylthio-1-propene c5296628  
1050 C5H10S Cyclopentanethiol c1679078  
1051 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1052 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1053 C4H10O2 1,1-Dimethoxyethane c534156  
1054 C4H10O2 1,3-Butanediol budiol13  
1055 C4H10O2 1,4-Butanediol budiol14  
1056 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1057 C4H10OS Diethyl sulfoxide c70291  
1058 C4H10S2 1,4-Butanedithiol budisl14  
1059 C4H11NO Diethylhydroxylamine c3710847  
1060 C5H12O 1-Butanol, 2-methyl- c137326  
1061 C5H12O 1-Butanol, 3-methyl- c123513  
1062 C5H12O 1-Pentanol pentanol1  
1063 C5H12O 2-Butanol, 3-methyl- c598754  
1064 C5H12O 2-Pentanol peol2  
1065 C5H12O 3-Pentanol pentan3ol  
1066 C5H12O Butane, 1-methoxy- meobu  
1067 C5H12O Propane, 1-ethoxy- proet  
1068 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1069 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1070 C5H12S 1-Butanethiol, 3-methyl- c541311  
1071 C5H12S 1-Pentanethiol c110667  
1072 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1073 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1074 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1075 C5H12S Butane, 1-(methylthio)- c628295  
1076 C5H12S Ethyl propyl sulfide c4110503  
1077 C5H12S Propane, 2-(ethylthio)- c5145993  
1078 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1079 CF3CN Acetonitrile, trifluoro- cf3cn  
1080 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1081 B2F4 Diboron tetrafluoride b2f4  
1082 C2F4 Tetrafluoroethylene c2f4  
1083 C2F4+ Tetrafluoroethylene cation c2f4+  
1084 C2FCl3 fluorotrichloroethene c2fcl3  
1085 C2Cl4 Tetrachloroethylene c2cl4  
1086 AsF5 Arsenic pentafluoride asf5  
1087 PCl5 Phosphorus pentachloride pcl5  
1088 SF5 Sulfur pentafluoride sf5  
1089 SbCl5 Antimony pentachloride sbcl5  
1090 BrF5 bromine pentafluoride brf5  
1091 ClF5 chlorinepentafluoride clf5  
1092 IF5 pentafluoroiodine if5  
1093 CF3CHO trifluoroacetaldehyde cf3cho  
1094 CCl3CHO trichloroacetaldehyde ccl3cho  
1095 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1096 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1097 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1098 CF3COOH trifluoroacetic acid cf3cooh  
1099 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1100 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1101 C4H8Cl2 1,4-Dichlorobutane c110565  
1102 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1103 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1104 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1105 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1106 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1107 C5H11Cl Pentane, 1-chloro- pencl1  
1108 C6H5CH2 benzyl radical benzyl  
1109 C6H5CH3 toluene toluene  
1110 C7H8 cycloheptatriene cht  
1111 C7H8 Norbornadiene norbor  
1112 C7H8 Quadricyclane qucy  
1113 C7H12 Norbornane nor  
1114 C7H14 cycloheptane c7h14  
1115 C7H16 2-methylhexane 2mhex  
1116 C7H16 3-methylhexane hex3m  
1117 C7H16 heptane heptane  
1118 C6H7N 2-Methylpyridine mp  
1119 C6H5NH2 aniline aniline  
1120 C6H13N 2-Methylpiperidine pip2m  
1121 C6H13N cyclohexanamine cham  
1122 C6H15N triethylamine tea  
1123 N2O5 Dinitrogen pentoxide n2o5  
1124 C4H2O3 Maleic Anhydride malan  
1125 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1126 C6H5O phenoxy radical phenoxy  
1127 C5H5NO 2(1H)-Pyridinone c72762006  
1128 C5H5NO 2(3H)-Pyridinone c9000048  
1129 C5H5NO 2(5H)-Pyridinone c9000037  
1130 C5H5NO 2-Pyridinol c109104  
1131 C5H5NO 3(2H)-Pyridinone c9000004  
1132 C5H5NO 3(4H)-Pyridinone c9000026  
1133 C5H5NO 3(6H)-Pyridinone c9000015  
1134 C5H5NO 3-Pyridinol c109002  
1135 C5H5NO 4(1H)-Pryidinone c9000060  
1136 C5H5NO 4(3H)-Pryidinone c9000059  
1137 C5H5NO 4-Pyridinol c626642  
1138 C6H5OH phenol phenol  
1139 C6H6O 2,4-Cyclohexadienone c24599573  
1140 C6H5SH Benzenethiol phsh  
1141 HO2CCHNH2CH2OH Serine serine  
1142 C4H8O2S Sulfolane sulfolane  
1143 CH(C2H3)3 trivinyl methane tvm  
1144 C6H10O cyclohexanone chexo  
1145 C6H12O hexanal c6h12o  
1146 C3H7OC3H7 di-n-propyl ether propr  
1147 CF3COCl trifluoroacetyl chloride cf3cocl  
1148 SF5Cl sulfur chloropentafluoride sf5cl  
1149 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1150 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1151 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1152 CCl3CHCl2 pentachloroethane ccl3chcl2  
1153 C6H5F Fluorobenzene bzf  
1154 C6H5Cl chlorobenzene bzcl  
1155 C6H5Br bromobenzene bzbr  
1156 C8H6 Calicene calicene  
1157 C6H5CCH phenylacetylene phac  
1158 C8H6 benzocyclobutadiene bcbd  
1159 C8H6 Pentalene pentalene  
1160 C6H5CHCH2 Styrene styrene  
1161 C8H8 cyclooctatetraene cot  
1162 C6H5CH2CH3 Ethylbenzene etbz  
1163 CH3C6H4CH3 meta-xylene mxylene  
1164 CH3C6H4CH3 paraxylene pxylene  
1165 C8H16 cyclooctane cyclooct  
1166 C8H18 Octane c8h18  
1167 C6H5CN phenyl cyanide phcn  
1168 C6H12N2 Triethylenediamine ted  
1169 C4O4-- squarate dianion c4o4--  
1170 S8 Octasulfur s8  
1171 C6H4O2 parabenzoquinone pbq  
1172 C4H4N2O2 Uracil uracil  
1173 C6H5OCH3 Anisole anisole  
1174 C6H12O2 Methyl pivalate c598981  
1175 C6H12O2 Hexanoic acid hexa  
1176 C4F4 tetrafluorcyclobutadiene c4f4  
1177 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1178 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1179 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1180 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1181 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1182 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1183 C2F6 hexafluoroethane c2f6  
1184 IF7 Iodine heptafluoride if7  
1185 C6H4F2 metadifluorobenzene mdfb  
1186 C6H4F2 orthodifluorobenzene odfb  
1187 C9H8 Indene indene  
1188 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1189 C9H12 n-propyl benzene prbz  
1190 C(CN)4 tetracyanomethane c5n4  
1191 C5H4N4 purine purine  
1192 C8H7N Indole indole  
1193 C6H5NO2 Nitrobenzene c6h5no2  
1194 C6H5COOH benzoic acid benzo  
1195 CH3COC6H5 acetophenone acph  
1196 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1197 C6H3F3 Benzene trifluoride 123 bzf3a  
1198 C10H16 adamantane adamantane  
1199 C6N4 Tetracyanoethylene tcne  
1200 C6N4- tetracyanoethylene anion tcne-  
1201 C4F6 perfluorobutadiene c4f6  
1202 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1203 C3F8 perfluoropropane c3f8  
1204 Fe(CO)5 Iron pentacarbonyl ipc  
1205 Fe(C5H5)2 ferrocene fecp2  
1206 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1207 C12H8 Acenaphthylene acenaph  
1208 C12H10 biphenyl biphenyl  
1209 C12H10 Heptalene heptalene  
1210 C6F6 hexafluorobenzene c6f6  
1211 C14H10 Anthracene anth  
1212 C14H10 Phenanthrene phenanthrene  
1213 C12H10N2 azobenzene azobenzene  
1214 C16H10 Pyrene pyrene  
1215 C18H12 Tetracene tetracene  
1216 C24H12 Coronene coronene