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List of which calculations are completed at MP2FC// B3LYP/6-31G* /cc-pVTZ

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 HeH+ Helium hydride cation 1ΣC∞v
12 He2+ helium diatomic cation 2ΣuD∞h
13 Li Lithium atom 2SKh
14 Na Sodium atom 2SKh
15 LiH Lithium Hydride 1ΣC∞v
16 LiH- lithium hydride anion 2ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH- sodium hydride anion 2ΣC∞v
20 NaH+ sodium hydride cation 2ΣC∞v
21 Be Beryllium atom 1SKh
22 Mg Magnesium atom 1SKh
23 BeH beryllium monohydride 2ΣC∞v
24 BeH- berylium monohydride anion 1ΣC∞v
25 BeH+ beryllium monohydride cation 1ΣC∞v
26 MgH magnesium monohydride 2ΣC∞v
27 MgH- magnesium monohydride anion 1ΣC∞v
28 MgH+ magnesium monohydride cation 1ΣC∞v
29 BeH2 beryllium dihydride 1ΣgD∞h
30 MgH2 magnesium dihydride 1ΣgD∞h
31 B Boron atom 2PKh
32 Al Aluminum atom 2PKh
33 BH Boron monohydride 1ΣC∞v
34 BH- boron monohydride anion 2ΠC∞v
35 BH+ boron monohydride cation 2ΣC∞v
36 AlH aluminum monohydride 1ΣC∞v
37 AlH- aluminum monohydride anion 2ΠC∞v
38 AlH+ aluminum monohydride cation 2ΣC∞v
39 BH2 boron dihydride 2A1C2v
40 AlH2 aluminum dihydride 2A1C2v
41 AlH2- aluminum dihydride anion 1A1C2v
42 AlH2+ aluminum dihydride cation 1ΣgD∞h
43 BH3 boron trihydride 1A1'D3h
44 BH3+ boron trihydride cation 2E'D3h
45 AlH3 aluminum trihydride 1A1'D3h
46 AlH3- aluminum trihydride anion 2A2"D3h
47 AlH3+ aluminum trihydride cation 2ED3h
48 BH4- borohydride anion 1A1Td
49 AlH4- Aluminum tetrahydride anion 1A1Td
50 C Carbon atom 3P0Kh
51 Si Silicon atom 3PKh
52 CH Methylidyne 2Π1/2C∞v
53 CH- methylidyne anion 3ΣC∞v
54 CH+ Methylidyne cation 1ΣC∞v
55 SiH Silylidyne 2ΠC∞v
56 SiH- silicon monohydride anion 3ΣC∞v
57 SiH+ silicon monohydride cation 1ΣC∞v
58 CH2 Methylene 3B1C2v
59 CH2- methylene anion 2B1C2v
60 CH2+ methylene cation 2A1C2v
61 SiH2 silicon dihydride 1A1C2v
62 SiH2- silicon dihydride anion 2B1C2v
63 SiH2+ silicon dihydride cation 2A1C2v
64 CH3 Methyl radical 2A1D3h
65 CH3- methyl anion 1A1C3v
66 CH3+ methyl cation 1A1'D3h
67 SiH3 Silyl radical 2A1C3v
68 SiH3- Silyl anion 1A1C3v
69 SiH3+ Silyl cation 1A1'D3h
70 CH4 Methane 1A1Td
71 CH4+ Methane cation 2B1C2v
72 SiH4 Silane 1A1Td
73 P Phosphorus atom 4SKh
74 NH Imidogen 3Σ-C∞v
75 NH- Imidogen anion 2ΠC∞v
76 NH+ imidogen cation 2ΠC∞v
77 PH phosphorus monohydride 3Σ-C∞v
78 PH- phosphorus monohydride anion 2ΠC∞v
79 PH+ phosphorus monohydride cation 2ΠC∞v
80 AsH Arsenic monohydride 3ΣC∞v
81 ND2 Amidogen-d2 2B1C2v
82 NH2 Amino radical 2B1C2v
83 NH2- amino anion 1A1C2v
84 PH2 Phosphino radical 2B1C2v
85 PH2- Phosphino anion 1A1C2v
86 PH2+ Phosphino cation 1A1C2v
87 AsH2 Arsenic dihydride 2A1C2v
88 ND3 Ammonia-d3 1A1C3v
89 NH3 Ammonia 1A1C3v
90 NH3+ ammonia cation 2A2"D3h
91 PH3 Phosphine 1A1C3v
92 PH3+ Phosphine cation 2A1C3v
93 AsH3 Arsine 1A1C3v
94 AsH3+ Arsine cation 2A1C3v
95 NH4+ ammonium cation 1A1Td
96 PH4+ phosphonium cation   
97 O Oxygen atom 3SKh
98 S Sulfur atom 3PKh
99 Se Selenium atom 3PKh
100 DO Hydroxyl-d 2ΠC∞v
101 OH Hydroxyl radical 2ΠC∞v
102 OH- hydroxide anion 1ΣC∞v
103 OH+ hydoxyl cation 3ΣC∞v
104 DS Mercapto-d 2ΠC∞v
105 HS Mercapto radical 2ΠC∞v
106 HS- mercapto anion 1ΣC∞v
107 HS+ sulfur monohydride cation 3ΣC∞v
108 HSe Selenium monohydride 2ΠC∞v
109 HSe- selenium monohydride anion 1ΣC∞v
110 HSe+ selenium monohydride cation 3ΣC∞v
111 D2O Deuterium oxide 1A1C2v
112 H2O Water 1A1C2v
113 H2O- water anion 2A1C2v
114 H2O+ water cation 2B1C2v
115 HDO Water-d1 1A1C2v
116 D2S Hydrogen sulfide-d2 1A1C2v
117 H2S Hydrogen sulfide 1A1C2v
118 H2S+ Hydrogen sulfide cation 2B1C2v
119 H2Se Hydrogen selenide 1A1C2v
120 H2Se+ Hydrogen selenide cation 2B1C2v
121 H3O+ hydronium cation 1A1C3v
122 F Fluorine atom 2PKh
123 Cl Chlorine atom 2PKh
124 Br Bromine atom 2PKh
125 DF Hydrofluoric acid-d 1ΣC∞v
126 HF Hydrogen fluoride 1ΣC∞v
127 HF- hydrogen fluoride anion 2ΣC∞v
128 HF+ hydrogen fluoride cation 2ΠC∞v
129 DCl Hydrochloric acid-d 1ΣC∞v
130 HCl Hydrogen chloride 1ΣC∞v
131 HCl- hydrogen chloride anion 2ΣC∞v
132 HCl+ hydrogen chloride cation 2ΠC∞v
133 HBr hydrogen bromide 1ΣC∞v
134 HBr- hydrogen bromide anion 2ΣC∞v
135 HBr+ hydrogen bromide cation 2ΠC∞v
136 H2F+ dihydrogen fluoride cation 1A1C2v
137 H2Cl+ dihydrogen monochloride cation 1A1C2v
138 Ne Neon atom 1SKh
139 Ar Argon atom 1SKh
140 NeH+ neon hydrogen cation 1ΣC∞v
141 ArH+ Argon hydride cation 1ΣC∞v
142 Li2 Lithium diatomic 1ΣgD∞v
143 Li2- lithium diatomic anion 2ΣuD∞h
144 Li2+ lithium diatomic cation 2ΣgD∞h
145 NaLi lithium sodium 1ΣC∞v
146 NaLi- lithium sodium anion 2ΣC∞v
147 NaLi+ lithium sodium cation 2ΣC∞v
148 Na2 Sodium diatomic 1ΣgD∞h
149 Na2- sodium diatomic anion 2ΣuD∞h
150 Na2+ sodium diatomic cation 2ΣgD∞h
151 Be2 Beryllium diatomic 3ΠgD∞h
152 Be2- Beryllium diatomic anion 2ΠuD∞h
153 Be2+ Beryllium diatomic cation 2ΣuD∞h
154 Mg2 Magnesium diatomic 1ΣgD∞h
155 Mg2- magnesium diatomic anion 2ΠUD∞h
156 Mg2+ magnesium diatomic cation 2ΣuD∞h
157 B2 Boron diatomic 3ΣgD∞h
158 B2 Boron diatomic 1ΣgD∞h
159 B2 Boron diatomic 5ΣuD∞h
160 B2- Boron diatomic anion 4ΣgD∞h
161 Al2 Aluminum diatomic 3ΣgD∞h
162 Al2- aluminum diatomic anion 4ΣgD∞h
163 Al2+ aluminum diatomic cation 2ΣgD∞h
164 B2H6 Diborane 1AgD2h
165 BC boron monocarbide 2ΠC∞v
166 BC- boron monocarbide anion 3ΠuC∞v
167 BC- boron monocarbide anion 1Σg+C∞v
168 BC+ boron monocarbide cation 3ΣC∞v
169 C2 Carbon diatomic 1Σg+D∞h
170 C2- carbon diatomic anion 2ΣgD∞h
171 C2+ carbon diatomic cation 2ΠD∞h
172 SiC silicon monocarbide 3ΣC∞v
173 SiC- silicon monocarbide anion 2ΣgC∞v
174 SiC+ silicon monocarbide cation 2ΠC∞v
175 Si2 Silicon diatomic 3ΣgD∞h
176 Si2- silcon diatomic anion 2ΣgD∞h
177 Si2+ silcon diatomic cation 2ΠD∞h
178 C2H Ethynyl radical 2ΣC∞v
179 C2H- Ethynyl anion 1ΣC∞v
180 C2H+ Ethynyl cation 3ΠC∞v
181 C2H+ Ethynyl cation 1ΣC∞v
182 C2H2 Acetylene 1ΣgD∞h
183 C2H2+ acetylene cation 2ΠuD∞h
184 CCH2 vinylidene 1A1C2v
185 CCH2 vinylidene 3B2C2v
186 CH3Li methyl lithium 1A1C3v
187 C2H3 vinyl 2A'Cs
188 C2H3+ vinyl cation 1A1C2V bridging H
189 C2H4 Ethylene 1AgD2h
190 C2H4- Ethylene anion 2B2gD2h
191 C2H4+ Ethylene cation 2B3uD2h
192 CH3CH methylmethylene 3A"Cs
193 C2H5 Ethyl radical 2A'Cs
194 C2H5+ Ethyl cation 1A1C2v
195 C2H6 Ethane 1A1gD3d
196 CH3SiH3 methyl silane 1A1C3
197 Si2H6 disilane 1EuD3d
198 LiN Lithium Nitride 3ΣC∞v
199 LiN Lithium Nitride 1ΣC∞v
200 LiN+ Lithium Nitride cation 4ΣC∞v
201 BeN- Beryllium mononitride anion 1ΣC∞v
202 BN- boron nitride anion 2ΣC∞v
203 AlN- aluminum mononitride anion 2ΣC∞v
204 AlN+ aluminum mononitride cation 2ΠC∞v
205 BN boron nitride 3ΠC∞v
206 BN boron nitride 1ΣC∞v
207 BN+ boron nitride cation 2ΠC∞v
208 AlN Aluminum nitride 3ΠiC∞v
209 AlN Aluminum nitride 1ΣC∞v
210 CN Cyano radical 2ΣC∞v
211 CN- cyanide anion 1ΣC∞v
212 CN+ Cyano cation 1ΣC∞v
213 CP Carbon monophosphide 2ΣC∞v
214 CP- carbon monophosphide anion 1ΣC∞v
215 CP+ carbon monophosphide cation 3ΣC∞v
216 SiN Silicon nitride 2ΣC∞v
217 SiN- silicon mononitride anion 1ΣC∞v
218 SiN+ silicon mononitride cation 3ΠC∞v
219 SiP Silicon monophosphide 2ΠC∞v
220 SiP- Silicon monophosphide anion 1ΣC∞v
221 SiP+ Silicon monophosphide cation 3ΣC∞v
222 SiP+ Silicon monophosphide cation 1ΣC∞v
223 N2 Nitrogen diatomic 1ΣgD∞h
224 N2- nitrogen diatomic anion 2ΠgD∞h
225 N2+ diatomic nitrogen cation 2ΣgD∞h
226 PN Phosphorus mononitride 1ΣC∞v
227 PN- phosphorus nitride anion 2ΠC∞v
228 PN+ phosphorus nitride cation 2ΠC∞v
229 P2 Phosphorus diatomic 1ΣgD∞h
230 P2- phosphorus diatomic anion 2ΠgD∞h
231 As2 Arsenic diatomic 1ΣgD∞h
232 HNB hydrogen nitrogen boron 2ΣC∞v
233 HNC hydrogen isocyanide 1ΣC∞v
234 HCN Hydrogen cyanide 1ΣC∞v
235 HCN+ hydrogen cyanide cation 2ΠC∞v
236 HCP Phosphaethyne 1ΣC∞v
237 NNH Dinitrogen monohydride 2A'Cs
238 NNH+ Dinitrogen monohydride cation 1ΣC∞v
239 HPO Hydrogen phosphorus oxide 1A'Cs
240 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
241 N2H2 (E)-diazene 1AgC2h
242 CH2NH Methanimine 1A'Cs
243 CH2PH Phosphaethene 1A'Cs
244 N2H4 Hydrazine 1AC2
245 P2H4 Diphosphine 1AC2
246 CH3NH2 methyl amine 1A'Cs
247 CH3PH2 Methyl phosphine 1A'Cs
248 BH3NH3 borane ammonia 1A1C3v
249 CH3NH3+ protonated methylamine 1A1C3v
250 NH3NH3 Ammonia Dimer 1AgC2h
251 LiO lithium oxide 2ΣC∞v
252 LiO- lithium oxide anion 1ΣC∞v
253 LiO- lithium oxide anion 3ΣC∞v
254 LiO+ lithium oxide cation 3ΣC∞v
255 LiO+ lithium oxide cation 1ΣC∞v
256 NaO sodium monoxide 2ΣC∞v
257 NaO- sodium oxide anion 1ΣC∞v
258 NaO+ sodium oxide cation 3ΣC∞v
259 BeO beryllium oxide 1ΣC∞v
260 BeO- Beryllium monoxide anion 2ΣC∞v
261 BeO+ Beryllium monoxide cation 2ΠC∞v
262 BeS beryllium sulfide 1ΣC∞v
263 MgO magnesium oxide 1Σ+C∞v
264 MgO- magnesium oxide anion 2ΣC∞v
265 MgO+ magnesium oxide cation 2ΠC∞v
266 MgS magnesium sulfide 1ΣC∞v
267 MgS- magnesium sulfide anion 2ΣC∞v
268 MgS+ magnesium sulfide cation 2ΠC∞v
269 BeS- Beryllium monosulfide anion 2ΣC∞v
270 BeS+ Beryllium monosulfide cation 2ΠC∞v
271 BO boron monoxide 2ΣC∞v
272 BO- boron monoxide anion 1ΣC∞v
273 AlO Aluminum monoxide 2ΣC∞v
274 AlO- Aluminum monoxide anion 1ΣC∞v
275 AlO+ aluminum monoxide cation 1ΣC∞v
276 BS boron sulfide 2ΣC∞v
277 BS- boron monosulfide anion 1ΣC∞v
278 BS+ boron monosulfide cation 1ΣC∞v
279 AlS Aluminum sulfide 2ΣC∞v
280 AlS- aluminum monosulfide anion 1ΣC∞v
281 AlS+ aluminum monosulfide cation 1ΣC∞v
282 BO+ boron monoxide cation 1ΣC∞v
283 CO Carbon monoxide 1ΣC∞v
284 CO- carbon monoxide anion 2ΠC∞v
285 CO+ carbon monoxide cation 2ΣC∞v
286 CS carbon monosulfide 1ΣC∞v
287 CS- carbon monosulfide anion 2ΠC∞v
288 CS+ carbon monosulfide cation 2ΣC∞v
289 SiO Silicon monoxide 1ΣC∞v
290 SiO- silicon monoxide anion 2ΠC∞v
291 SiO+ silicon monoxide cation 2ΣC∞v
292 SiS silicon monosulfide 1ΣC∞v
293 SiS- silicon monosulfide anion 2ΠC∞v
294 SiS+ silicon monosulfide cation 2ΣC∞v
295 CSe Carbon monoselenide 1ΣC∞v
296 CSe- Carbon monoselenide anion 2ΠC∞v
297 CSe+ Carbon monoselenide cation 2ΣC∞v
298 NO Nitric oxide 2ΠC∞v
299 NO- nitric oxide anion 3ΣC∞v
300 NO- nitric oxide anion 1ΔC∞v
301 NO+ nitric oxide cation 1ΣC∞v
302 NS Mononitrogen monosulfide 2ΠC∞v
303 NS- nitrogen sulfide anion 3ΣC∞v
304 NS+ nitrogen sulfide cation 1ΣC∞v
305 PO Phosphorus monoxide 2ΠC∞v
306 PO- phosphorus monoxide anion 3ΣC∞v
307 PO+ phosphorus monoxide cation 1ΣC∞v
308 PS phosphorus sulfide 2ΣC∞v
309 PS- phosphorus monosulfide anion 3ΣC∞v
310 PS+ phosphorus monosulfide cation 1ΣC∞v
311 AsO Arsenic monoxide 2ΠC∞v
312 O2 Oxygen diatomic 3ΣgD∞h
313 O2- oxygen diatomic anion 2ΠD∞h
314 SO Sulfur monoxide 3ΣC∞v
315 SO- sulfur monoxide anion 2ΠC∞v
316 SO+ sulfur monoxide cation 2ΠC∞v
317 S2 Sulfur diatomic 3ΣgD∞h
318 S2- sulfur diatomic anion 2ΠD∞h
319 S2+ sulfur diatomic cation 2ΠD∞h
320 SeO Selenium monoxide 3ΣC∞v
321 SeO- selenium monoxide anion 2ΠC∞v
322 SeO+ selenium monoxide cation 2ΠC∞v
323 SeS Selenium monosulfide 3ΣC∞v
324 SeS- selenium monosulfide anion 2ΠC∞v
325 SeS+ selenium monosulfide cation 2ΠC∞v
326 Se2 Selenium diatomic 3ΣgD∞h
327 Se2- selenium diatomic anion 2ΠD∞h
328 Se2+ selenium diatomic cation 2ΠgD∞h
329 LiOH lithium hydroxide 1ΣC∞v
330 NaOH sodium hydroxide 1ΣC∞v
331 BeOH beryllium monohydroxide 2A'Cs
332 MgOH magnesium hydroxide 2A'Cs
333 HBO Boron hydride oxide 1ΣC∞v
334 HBS hydrogen boron sulfide 1ΣC∞v
335 HCO Formyl radical 2A'Cs
336 HCO+ Formyl cation 1ΣC∞v
337 HCS Thioformyl radical 2A'Cs
338 HCS- Thioformyl anion 1A'Cs
339 HCS- Thioformyl anion 3A"Cs
340 HCS+ Thioformyl cation 1ΣC∞v
341 HNO Nitrosyl hydride 1A'Cs
342 HNO- Nitrosyl hydride anion 2A"Cs
343 HNO+ Nitrosyl hydride cation 2A'Cs
344 HO2 Hydroperoxy radical 2A"Cs
345 HO2- Hydroperoxy anion 1A'Cs
346 HO2+ Hydroperoxy cation 3A"Cs
347 H2CO Formaldehyde 1A1C2v
348 H2CO+ formaldehyde cation 2B2C2v
349 H2CS Thioformaldehyde 1A1C2v
350 H2O2 Hydrogen peroxide 1AC2
351 H2S2 Disulfane 1AC2
352 CH2OH Hydroxymethyl radical 2AC1
353 CH2OH+ hydroxymethyl cation 1A'Cs
354 CH3O Methoxy radical 2A'C1
355 CH3S thiomethoxy 2A'C3v
356 NH2OH hydroxylamine 1A'Cs
357 CH3OH Methyl alcohol 1A'Cs
358 CH3SH Methanethiol 1A'Cs
359 CH3SeH Methane selenol 1A'Cs
360 H2OH2O water dimer 1A'Cs
361 H2ONH3 Water Ammonia Dimer 1A'C1
362 LiF lithium fluoride 1ΣC∞v
363 LiCl lithium chloride 1ΣC∞v
364 LiCl- lithium chloride anion 2ΣC∞v
365 LiCl+ lithium chloride cation 2ΠC∞v
366 NaF sodium fluoride 1ΣC∞v
367 NaF- sodium fluoride anion 2ΣC∞v
368 NaF+ sodium fluoride cation 2ΣC∞v
369 NaCl Sodium Chloride 1ΣC∞v
370 NaCl- sodium chloride anion 2ΣC∞v
371 NaCl+ sodium chloride cation 2ΠC∞v
372 LiBr Lithium Bromide 1ΣC∞v
373 LiBr- lithium bromide anion 2ΣC∞v
374 LiBr+ lithium bromide cation 2ΠC∞v
375 NaBr Sodium Bromide 1ΣC∞v
376 NaBr- sodium bromide anion 2ΣC∞v
377 NaBr+ sodium bromide cation 2ΠC∞v
378 LiF- lithium fluoride anion 2ΣC∞v
379 LiF+ lithium fluoride cation 2ΠC∞v
380 BeF Beryllium monofluoride 2ΣC∞v
381 BeF- Beryllium monofluoride anion 1ΣC∞v
382 BeF+ Beryllium monofluoride cation 1ΣC∞v
383 BeCl beryllium monochloride 2ΣC∞v
384 MgF Magnesium monofluoride 2ΣC∞v
385 MgF- magnesium fluoride anion 1ΣC∞v
386 MgF+ magnesium fluoride cation 1ΣC∞v
387 MgCl magnesium monochloride 2ΣC∞v
388 MgCl- magnesium monochloride anion 1ΣC∞v
389 MgCl+ magnesium monochloride cation 1ΣC∞v
390 BeCl- beryllium monochloride anion 1ΣC∞v
391 BeCl+ beryllium monochloride cation 1ΣC∞v
392 BF Boron monofluoride 1ΣC∞v
393 BF- Boron monofluoride anion 2ΠC∞v
394 BF+ Boron monofluoride cation 2ΣC∞v
395 AlF Aluminum monofluoride 1Σ+C∞v
396 AlF- Aluminum monofluoride anion 2ΠC∞v
397 AlF+ Aluminum monofluoride cation 2ΣC∞v
398 BCl boron monochloride 1ΣC∞v
399 BCl- boron monochloride anion 2ΠC∞v
400 BCl+ boron monochloride cation 2ΣC∞v
401 AlCl- aluminum monochloride anion 2ΠC∞v
402 AlCl+ aluminum monochloride cation 2ΣC∞v
403 CF Fluoromethylidyne 2ΠC∞v
404 CF- carbon monofluoride anion 3ΣC∞v
405 CF- carbon monofluoride anion 1ΣC∞v
406 CF+ carbon monofluoride cation 1ΣC∞v
407 CCl carbon monochloride 2ΠC∞v
408 CCl- carbon monochloride anion 3ΣC∞v
409 CCl+ carbon monochloride cation 1ΣC∞v
410 SiF silicon monofluoride 2ΠC∞v
411 SiF- silicon monofluoride anion 3ΣC∞v
412 SiF+ silicon monofluoride cation 1ΣC∞v
413 SiCl Clorosilylidyne 2ΠC∞v
414 SiCl- silicon monochloride anion 3ΣC∞v
415 SiCl+ silicon monochloride cation 1ΣC∞v
416 NF nitrogen fluoride 3ΣC∞v
417 NF- nitrogen monofluorine anion 2ΠC∞v
418 NF+ nitrogen monofluoirde cation 2ΠC∞v
419 NCl nitrogen monochloride 3ΣC∞v
420 NCl- nitrogen monochloride anion 2ΠC∞v
421 NCl+ nitrogen monochloride cation 2ΠC∞v
422 PF phosphorus monofluoride 3ΣC∞v
423 PF- phosphorus monofluoride anion 2ΠC∞v
424 PF+ phosphorus monofluoride cation 2ΠC∞v
425 PCl phosphorus chloride 3ΣC∞v
426 PCl- phosphorus monochloride anion 2ΠC∞v
427 PCl+ phosphorus monochloride cation 2ΠC∞v
428 FO Oxygen monofluoride 2ΠC∞v
429 FO- flourine oxide anion 1ΣC∞v
430 FO+ fluorine monoxide cation 3ΣC∞v
431 ClO Monochlorine monoxide 2ΠC∞v
432 ClO- chlorine monoxide anion 1ΣC∞v
433 ClO+ chlorine monoxide cation 3ΣC∞v
434 ClO+ chlorine monoxide cation 1ΣC∞v
435 SF Monosulfur monofluoride 2ΠC∞v
436 SF- sulfur monofluoride anion 1ΣC∞v
437 SF+ sulfur monofluoride cation 3ΣC∞v
438 SCl sulfur monochloride 2ΠC∞v
439 SCl- sulfur monochloride anion 1ΣC∞v
440 SCl+ sulfur monochloride cation 3ΣgC∞v
441 SCl+ sulfur monochloride cation 1ΣC∞v
442 BrCl Bromine monochloride 1ΣC∞v
443 F2 Fluorine diatomic 1ΣgD∞h
444 F2- flourine diatomic anion 2ΣuD∞h
445 F2+ flourine diatomic cation 2ΠgD∞h
446 ClF Chlorine monofluoride 1Σ+C∞v
447 ClF- clorine monofluoride anion 2ΣC∞v
448 ClF+ clorine monofluoride cation 2ΠC∞v
449 Cl2 Chlorine diatomic 1ΣgD∞h
450 Cl2- chlorine diatomic anion 2ΣuD∞h
451 Cl2+ chlorine diatomic cation 2ΠgD∞h
452 BrF Bromine monofluoride 1ΣC∞v
453 BrF- bromine fluoride anion 2ΣC∞v
454 BrF+ bromine fluoride cation 2ΠC∞v
455 BrCl- bromine chloride anion 2ΣC∞v
456 BrCl+ bromine chloride cation 2ΠC∞v
457 Br2 Bromine diatomic 1ΣgD∞h
458 Br2- bromine diatomic anion 2ΣuD∞h
459 Br2+ bromine diatomic cation 2ΠgD∞h
460 HCF Fluoromethylene 1A'Cs
461 HOF Hypofluorous acid 1A'Cs
462 DOCl Hypochlorous acid-d 1A'Cs
463 HOCl hypochlorous acid 1A'Cs
464 HOBr Hypobromous acid 1A'Cs
465 NH2F monofluoroamine 1A'Cs
466 NH2Cl chloramine 1A'Cs
467 H2F2 Hydrogen fluoride dimer 1AgCs
468 CH3F Methyl fluoride 1A1C3v
469 CH3Cl Methyl chloride 1A1C3v
470 SiH3F monofluorosilane 1A1C3v
471 SiH3Cl chlorosilane 1A1C1
472 CH3Br methyl bromide 1A1C3v
473 C3 carbon trimer 1ΣgD∞h
474 C3+ carbon trimer cation 2ΣuD∞h
475 C3H3 Propargyl radical 2B1Cs
476 C3H3- Propargyl anion 1A'Cs
477 C3H3+ cyclopropenyl cation 1A1D3h
478 C3H3+ Propargyl cation 1A1C2v
479 CH2CCH2 allene 1A1D2d
480 CH3CCH propyne 1A'C3v
481 C3H5 Allyl radical 2A2C2v
482 C3H5+ Allyl cation 1A1C2v
483 C3H6 Cyclopropane 1A1'D3h
484 CH2CHCH3 Propene 1A'Cs
485 C3H7 n-Propyl radical 2A"C1
486 CH3CHCH3 Isopropyl radical 2AC2
487 C3H8 Propane 1A1C2v
488 SiH2(CH3)2 dimethylsilane 1A1C2v
489 N3 azide radical 2ΠgD∞h
490 N3- azide anion 1ΣGD∞h
491 HN3 hydrogen azide 1A'Cs
492 CH2NN diazomethane 1A1C2v
493 NH2CN cyanamide 1A'Cs
494 CH3CN Acetonitrile 1A1C3v
495 CH3NC methyl isocyanide 1A1C3v
496 NHCHNH2 aminomethanimine 1AC1
497 C2H5N Aziridine 1A'C1
498 CH2CHNH2 aminoethene 1AC1
499 CH2NCH3 N-methylmethanimine 1A'Cs
500 CH3CHNH ethanimine 1A'CS NH up
501 CH3CH2NH2 Ethylamine 1A'Cs
502 CH3NHCH3 Dimethylamine 1A'Cs
503 Li2O dilithium oxide 1ΣgD∞h
504 Na2O disodium monoxide 1ΣgLinear
505 NCO isocyanato radical 2ΠC∞v
506 NCO- cyanate 1ΣC∞v
507 SCN thiocyanato radical 2ΠC∞v
508 SCN- thiocyanide anion 1ΣC∞v
509 BO2 Boron dioxide 2A'D∞h
510 BO2- Boron dioxide anion 1ΣgD∞h
511 BO2+ Boron dioxide cation 3ΣgD∞h
512 N2O Nitrous oxide 1ΣC∞v
513 N2O- Nitrous oxide anion 2A'Cs
514 N2O+ Nitrous oxide cation 2ΠC∞v
515 CO2 Carbon dioxide 1ΣgD∞h
516 CO2- Carbon dioxide anion 2A1C2v
517 CO2+ Carbon dioxide cation 2ΠgD∞h
518 OCS Carbonyl sulfide 1ΣC∞v
519 OCS+ Carbonyl sulfide cation 2ΠC∞v
520 SiO2 silicon dioxide 1ΣgD∞h
521 CS2 Carbon disulfide 1ΣgD∞h
522 CS2+ Carbon disulfide cation 2ΠD∞h
523 OCSe Carbonyl selenide 1ΣC∞v
524 NO2 Nitrogen dioxide 2A1C2v
525 NO2- Nitrogen dioxide anion 1A1C2v
526 NO2+ Nitrogen dioxide cation 1ΣGD∞h
527 PO2 Phosphorus dioxide 2A1C2v
528 PO2+ Phosphorus dioxide cation 1ΣGD∞h
529 O3 Ozone 1A1Cs
530 O3- Ozone anion 2B1C2v
531 O3+ Ozone cation 2A1C2v
532 SO2 Sulfur dioxide 1A1C2v
533 SO2+ Sulfur dioxide cation 2A1C2v
534 SSO Disulfur monoxide 1A'Cs
535 S3 Sulfur trimer 1A1C2v
536 SeO2 Selenium dioxide 1A1C2v
537 HCCO ketenyl radical 2ΠC∞v
538 HCNO fulminic acid 1ΣC∞v
539 HNCO Isocyanic acid 1A'Cs
540 HOCN cyanic acid 1A'Cs
541 HCO2- formate anion 1A1C2v
542 HOCO Hydrocarboxyl radical 1A'cis
543 HOCO+ Hydrocarboxyl cation 1A'Cs
544 HNO2 Nitrous acid 1A'Cs
545 HNO2+ nitrous acid cation 2A'Cs
546 CH2CO Ketene 1A1C2v
547 CH2CO+ Ketene cation 2B1C2v
548 HCCOH ethynol 1A'Cs
549 CH2O2 Dioxirane 1A1C2v
550 HCOOH Formic acid 1A'Cs
551 CH3CO Acetyl radical 2A'Cs
552 CH3CO+ acetyl cation 1A1C3v
553 CHONH2 formamide 1A'Planar
554 CH3OO methylperoxy radical 2A"Cs
555 C2H4O Ethylene oxide 1A1C2v
556 CH2CHOH ethenol 1A'Cs
557 CH3CHO Acetaldehyde 1A'Cs
558 C2H4S Thiirane 1A1C2v
559 CH3CHS Thioacetaldehyde 1A'C1
560 CH3OOH Methyl peroxide 1AC1
561 H2OH2CO water formaldehyde dimer 1AC1
562 CH3CH2OH Ethanol 1A'Cs
563 CH3OCH3 Dimethyl ether 1A1C2v
564 CH3CH2SH ethanethiol 1A'Cs
565 CH3SCH3 Dimethyl sulfide 1A1C2v
566 CH3OHH2O methanol water dimer 1A'C1
567 H2OCH3OH water methanol dimer 1AC1
568 FCN Cyanogen fluoride 1ΣC∞v
569 ClCN chlorocyanogen 1ΣC∞v
570 BrCN Cyanogen bromide 1ΣC∞v
571 MgCl2 Magnesium dichloride 1ΣgC2v
572 FNO Nitrosyl fluoride 1A'Cs
573 ClNO Nitrosyl chloride 1A'Cs
574 CF2 Difluoromethylene 1A1D∞h
575 CF2- Difluoromethylene anion 2B1C2v
576 CF2+ Difluoromethylene cation 2A1C2v
577 CCl2 dichloromethylene 1A1C2v
578 CCl2+ dichloromethylene cation 2A1C2v
579 SiCl2 Dichlorosilylene 1A1C2v
580 FOO Dioxygen monofluoride radical 2A"Cs
581 ClOO chloroperoxy radical 2A"Cs
582 ClOO+ chloroperoxy cation 1A'Cs
583 OClO Chlorine dioxide 2B1D∞h
584 ClS2 Sulfur chloride 2A"Cs
585 NF2 Difluoroamino radical 2B1C2v
586 NF2+ Difluoroamino cation 1A1C2v
587 F2O Difluorine monoxide 1A1C2v
588 SF2 sulfur difluoride 1A1C2v
589 SF2- sulfur difluoride anion 2A'Cs
590 SF2+ sulfur difluoride cation 2B1C2v
591 Cl2O Dichlorine monoxide 1A1C2v
592 SCl2 Sulfur dichloride 1A1C2v
593 HCCF Fluoroacetylene 1ΣC∞v
594 BHF2 Difluoroborane 1A1C2v
595 BHCl2 Borane, dichloro- 1A1C2v
596 CH2F2 Methane, difluoro- 1A1C2v
597 CH2FCl fluorochloromethane 1A'Cs
598 CH2Cl2 Methylene chloride 1A1C2v
599 CH2Br2 dibromomethane 1A1C2v
600 SiH2Cl2 dichlorosilane 1A1C2v
601 CH2CHF Ethene, fluoro- 1A'Cs
602 C2H3Cl Ethene, chloro- 1A'Cs
603 C2H3Br vinyl bromide 1A'Cs
604 C2H5F fluoroethane 1A'Cs
605 CH3CH2Cl Ethyl chloride 1A'Cs
606 C2H5Br Ethyl bromide 1A'Cs
607 C4 Carbon tetramer 3ΣgD∞h
608 C4H2 Diacetylene 1ΣgD∞h
609 C2H3CCH 1-Buten-3-yne 1A'C1
610 H2CCCCH2 Butatriene 1AgD2h
611 C4H6 1-Methylcyclopropene 1AC1
612 C4H6 Cyclobutene 1A1C2v
613 C4H6 Methylenecyclopropane 1A1C2v
614 CH2CCHCH3 1,2-Butadiene 1A'C1
615 CH2CHCHCH2 1,3-Butadiene 1AgC2h
616 CH3CCCH3 2-Butyne 1A1'D3h
617 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
618 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
619 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
620 C(CH3)3 Tert-butyl radical 2A"C3v
621 CH2CH(CH3)2 Isobutyl radical 2A'C1
622 CH3CHCH2CH3 2-Butyl radical 1AC1
623 CH3CH(CH3)CH3 Isobutane 1A1C3v
624 CH3CH2CH2CH3 Butane 1AgAnti
625 C2N2 Cyanogen 1ΣgD∞h
626 P4 Phosphorus tetramer 1A1Td
627 HCCCN Cyanoacetylene 1ΣC∞v
628 C3H3N acrylonitrile 1A'Cs
629 C3H7N Cyclopropylamine 1A'C1
630 C4H8 cyclobutane 1A1D2d
631 C2H8N2 Ethylenediamine 1AgC2h
632 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
633 N(CH3)3 Trimethylamine 1A1C3v
634 NH2CH2CH2CH3 1-Propanamine 1A'Cs
635 B2O2 Diboron dioxide 1ΣgD∞h
636 CO3-- carbonate 1A1'D3h
637 NO3 Nitrogen trioxide 2A1'all bonds equal
638 SO3 Sulfur trioxide 1A1'D3h
639 SO3- Sulfur trioxide anion 2A1pyramidal
640 HNO3 Nitric acid 1A'Cs
641 C2H2O2 Ethanedial 1AgC2h
642 CH3COO- acetate anion 1A'eclipsed
643 CH3NO2 Methane, nitro- 1A'Cs
644 CH3ONO Methyl nitrite 1A'C1
645 C3H4O 2-Propyn-1-ol 1A'Cs
646 C3H4O allenol 1A'Cs
647 C3H4O Cyclopropanone 1A1C2v
648 C3H4O Methylketene 1A'Cs
649 CH2CHCHO Acrolein 1A'Cs
650 NH2CONH2 Urea 1AC2
651 NH2CSNH2 Thiourea 1AC2
652 CH3COOH Acetic acid 1A'Cs
653 CH3OCHO methyl formate 1A'Cs
654 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
655 H2OHCOOH Water formic acid dimer 1 1AC1
656 H2OHCOOH Water formic acid dimer 2 1AC1
657 HCOOHH2O Formic acid water dimer 1AC1
658 CH3CHNOH Acetaldoxime 1A'CS trans
659 CH3CONH2 Acetamide 1A'C1
660 C3H6O Propylene oxide 1AC1
661 CH3CH2CHO Propanal 1A'Cs
662 CH3COCH3 Acetone 1A1C2v
663 C3H6S Thietane 1A'Cs
664 C3H6S Thiirane, methyl- 1AC1
665 C2H6O2 1,2-Ethanediol 1AgC2h
666 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
667 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
668 CH3SSCH3 Disulfide, dimethyl 1AC2
669 CH3CHOHCH3 Isopropyl alcohol 1AC1
670 CH3OC2H5 Ethane, methoxy- 1A'Cs
671 C3H7SH 1-Propanethiol 1A'Cs
672 CH3CHSHCH3 2-Propanethiol 1A'Cs
673 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
674 H2OCH3OCH3 water dimethylether dimer 1AC1
675 Na2Cl2 Disodium dichloride 1AgC2h
676 C2F2 difluoroacetylene 1ΣgD∞h
677 C2Cl2 dichloroacetylene 1ΣgC2h
678 ClNO2 Nitryl chloride 1A1C2v
679 N2F2 (Z)-Difluorodiazene 1A1C2v
680 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
681 CF2O Carbonic difluoride 1A1C2v
682 CCl2O Phosgene 1A1C2v
683 BF3 Borane, trifluoro- 1A'D3h
684 AlF3 Aluminum trifluoride 1A1'D3h
685 AlF2Cl Aluminum chloride difluoride 1A1C2v
686 AlFCl2 Aluminum dichloride fluoride 1A1C2v
687 BCl3 Borane, trichloro- 1A1'D3h
688 AlCl3 Aluminum trichloride 1A1'D3h
689 ClO3- chlorate anion 1A1C3v
690 CF3 Trifluoromethyl radical 2A1C3v
691 CF3- Trifluoromethyl anion 1A1C3v
692 CF3+ Trifluoromethyl cation 1A1'D3h
693 CCl3 Trichloromethyl radical 2A1C3
694 CCl3- Trichloromethyl anion 1A1C3v
695 SOCl2 thionyl chloride 1A'Cs
696 NF3 Nitrogen trifluoride 1A1C3v
697 NF3- Nitrogen trifluoride anion 2A1C3v
698 PF3 Phosphorus trifluoride 1A1C3v
699 PCl3 Phosphorus trichloride 1A1C3v
700 ClSSCl Disulfur dichloride 1AC2
701 BrF3 Bromine trifluoride 1A1C2v
702 CHF3 Methane, trifluoro- 1A1C3v
703 CHF2Cl difluorochloromethane 1A'Cs
704 CHFCl2 fluorodichloromethane 1A'Cs
705 CHCl3 Chloroform 1A1C3v
706 SiHCl3 Trichlorosilane 1A1C3v
707 CHBr3 bromoform 1A1C3v
708 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
709 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
710 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
711 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
712 CH3COF Acetyl fluoride 1A'NULL
713 CH3COCl Acetyl Chloride 1A'Cs
714 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
715 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
716 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
717 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
718 C3H5Cl 1-Propene, 3-chloro- 1AC1
719 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
720 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
721 C5H5- cylopentadienyl anion 1A1'D5h
722 SO4-- sulfate 1A1Td
723 ClO4- perchlorate anion 1A1Td
724 BF4- tetrafluoroboron anion 1A1Td
725 C2F6 hexafluoroethane 1A1gD3d

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 Li- Lithium atom anion li-  
8 Li+ Lithium atom cation li+  
9 Na- Sodium atom anion na-  
10 Na+ Sodium atom cation 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 KH Potassium hydride kh  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Be- Beryllium atom anion be-  
21 Be+ Beryllium atom cation be+  
22 Mg- Magnesium atom anion mg-  
23 Mg+ Magnesium atom cation 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 CaH Calcium monohydride cah  
31 CaH+ Calcium monohydride cation cah+  
32 TiH Titanium monohydride tih  
33 ZnH Zinc monohydride znh  
34 ZnH+ Zinc, protonated znh+  
35 BeH2+ Beryllium dihydride cation beh2+  
36 CaH2 Calcium Hydride cah2  
37 ZnH2 Zinc hydride znh2  
38 B- Boron atom anion b-  
39 B+ Boron atom cation b+  
40 Al- Aluminum atom anion al-  
41 Al+ Aluminum atom cation al+  
42 Sc Scandium atom sc  
43 Sc+ Scandium cation sc+  
44 Ga Gallium atom ga  
45 Ga- Gallium atom anion ga-  
46 Ga+ Gallium atom cation ga+  
47 ScH Scandium monohydride sch  
48 ScH+ Scandium monohydride cation sch+  
49 GaH Gallium monohydride gah  
50 GaH+ Gallium monohydride cation gah+  
51 BH2- boron dihydride anion bh2-  
52 BH2+ Boron dihydride cation bh2+  
53 BH3- boron trihydride anion bh3-  
54 ScH3 Scandium trihydride sch3  
55 GaH3 Gallium trihydride gah3  
56 BH4 borohydride bh4  
57 C- Carbon atom anion c-  
58 C+ Carbon atom cation c+  
59 Si- Silicon atom anion si-  
60 Si+ Silicon atom cation si+  
61 Ti Titanium atom ti  
62 Ti- Titanium atom anion ti-  
63 Ti+ Titanium atom cation ti+  
64 Ge Germanium atom ge  
65 Ge- Germanium anion ge-  
66 Ge+ Germanium cation ge+  
67 Sn Tin atom sn  
68 Sn+ Tin cation sn+  
69 GeH germylidene geh  
70 GeH+ Germaniun monohyrdide cation geh+  
71 GeH2 germylene geh2  
72 GeH2- germylene anion geh2-  
73 GeH3 Germyl radical geh3  
74 GeH3+ germyl cation geh3+  
75 CD4 methane-d4 cd4  
76 CH2D2 methane-d2 ch2d2  
77 CH3D methane-d ch3d  
78 CH4- Methane anion ch4-  
79 CHD3 methane-d3 chd3  
80 SiH2D2 silane-d2 sih2d2  
81 SiH4+ Silane cation sih4+  
82 GeH4 Germane geh4  
83 SnH4 Stannane snh4  
84 SiH5+ Silane, protonated sih5+  
85 N Nitrogen atom n  
86 N- Nitrogen atom anion n-  
87 N+ Nitrogen atom cation n+  
88 P- Phosphorus atom anion p-  
89 P+ Phosphorus atom cation p+  
90 V Vanadium atom v  
91 V+ Vanadium atom cation v+  
92 As Arsenic atomic as  
93 As- Arsenic anion as-  
94 As+ Arsenic cation as+  
95 Sb Antimony atom sb  
96 AsH+ Arsenic monohydride cation ash+  
97 SbH Antimony monohydride sbh  
98 NH2+ Amino cation nh2+  
99 AsH2+ Arsenic dihydride cation ash2+  
100 NH3- Ammonia anion nh3-  
101 SbH3 Stibine sbh3  
102 AsH4+ Arsonium ash4+  
103 NH4 Ammonium radical nh4  
104 PH4 Phosphoranyl radical ph4  
105 O- Oxygen atom anion o-  
106 O+ Oxygen atom cation o+  
107 S- Sulfur atom anion s-  
108 S+ Sulfur atom cation s+  
109 Cr Chromium atom cr  
110 Se- Selenium atom anion se-  
111 Se+ Selenium atom cation se+  
112 Te Tellurium atom te  
113 Te+ Tellurium atom cation te+  
114 CrH Chromium hydride crh  
115 CrH+ Chromium hydride cation crh+  
116 TeH Telluryl radical teh  
117 H2Te Hydrogen Telluride h2te  
118 H3S+ Sulfonium cation h3s+  
119 H3Se+ Hydrogen Selenide, protonated h3se+  
120 F- Fluorine atom anion f-  
121 F+ Fluorine atom cation f+  
122 Cl- Chlorine atom anion cl-  
123 Cl+ Chlorine atom cation cl+  
124 Mn Manganese atom mn  
125 Br- Bromine atom anion br-  
126 Br+ Bromine atom cation br+  
127 I Iodine atom iodine  
128 I- Iodine atom anion iodine-  
129 I+ Iodine atom cation iodine+  
130 HI Hydrogen iodide hi  
131 HI+ Hydrogen iodide cation hi+  
132 H2Br+ protonated hydrogen bromide h2br+  
133 H2I+ Iodonium h2i+  
134 Ne- Neon atom anion ne-  
135 Ne+ Neon atom cation ne+  
136 Ar- Argon atom anion ar-  
137 Ar+ Argon atom cation ar+  
138 Fe Iron atom fe  
139 Kr Krypton atom kr  
140 Kr+ Krypton cation kr+  
141 Xe Xenon atom xe  
142 HeLi+ Helium Lithium cation heli+  
143 NeH neon hydrogen neh  
144 KrH+ Protonated Krypton krh+  
145 XeH+ Xenon, protonated xeh+  
146 H2Ar H2 Ar dimer h2ar  
147 Co Cobalt atom cobalt  
148 Ni Nickel atom ni  
149 LiK Lithium Potassium lik  
150 NaK Sodium Potassium nak  
151 NaK+ Sodium Potassium diatomic cation nak+  
152 K2 Potassium diatomic k2  
153 Cu2 Copper diatomic cu2  
154 LiBe Lithium Beryllium libe  
155 LiMg Lithium magnesium limg  
156 NaBe Sodium Beryllium nabe  
157 NaMg Sodium Magnesium namg  
158 Be2 Beryllium diatomic be2  
159 BeMg Beryllium Magnesium bemg  
160 Ca2 Calcium diatomic ca2  
161 LiB Lithium boride lib  
162 LiAl Lithium Aluminum lial  
163 NaAl Sodium aluminum naal  
164 BeB Beryllium monoboride beb  
165 B2+ Boron diatomic cation b2+  
166 BAl Boron Aluminum bal  
167 BGa Boron Gallium bga  
168 AlGa Aluminum Gallium alga  
169 Ga2 Gallium diatomic ga2  
170 HBBH Diborane(2) hbbh  
171 LiBH4 Lithium borohydride libh4  
172 B2H4 Diborane(4) D2d b2h4  
173 HBHHBH Diborane(4) C2V hbhhbh  
174 B2H6+ Diborane cation b2h6  
175 Al2H6 dialane al2h6  
176 Ga2H6 digallane ga2h6  
177 LiC Lithium Carbide lic  
178 BeC Beryllium Carbide bec  
179 CaC Calcium monocarbide cac  
180 BC boron monocarbide bc  
181 AlC Aluminum carbide alc  
182 BSi Boron silicide bsi  
183 C2+ carbon diatomic cation c2+  
184 GeC Germanium monocarbide gec  
185 SiGe Silicon Germanium sige  
186 Ge2 Germanium diatomic ge2  
187 ZnCH2 Zinc methylene znch2  
188 H2CC- vinylidene anion h2cc-  
189 HCCH- acetylene anion c2h2-  
190 Si2H2 disilyne si2h2  
191 CuCH3 monomethyl copper cuch3  
192 ZnCH3 Zinc monomethyl znch3  
193 CH2BH methyleneborane ch2bh  
194 C2H3- vinyl anion c2h3-  
195 CH2SiH2 silaethylene ch2sih2  
196 Si2H4 Disilene si2h4  
197 CH3BH2 methylborane ch3bh2  
198 C2H5- Ethyl anion c2h5-  
199 C2H6+ ethane cation c2h6+  
200 GeH3CH3 methyl germane geh3ch3  
201 C2H7+ Ethane, protonated c2h7+  
202 LiP Lithium monophosphide lip  
203 BeN Beryllium mononitride ben  
204 BeN+ Beryllium mononitride cation ben+  
205 MgN Magnesium Nitride mgn  
206 BP Boron monophosphide bp  
207 AlP Aluminum monophosphide alp  
208 GaN Gallium mononitride gan  
209 GaP Gallium monophosphide gap  
210 GaAs Gallium arsenide gaas  
211 TiN Titanium mononitride tin  
212 P2+ phosphorus diatomic cation p2+  
213 AsN Arsenic mononitride asn  
214 AsP Arsenic monophosphide asp  
215 SbN Antimony nitride sbn  
216 HCN- Hydrogen cyanide anion hcn-  
217 HNC+ hydrogen isocyanide cation hnc+  
218 HCP+ Phosphaethyne cation hcp+  
219 LiNH2 lithium amide linh2  
220 HBNH Boranimine hbnh  
221 CNH2 Aminomethylidyne radical cnh2  
222 CNH2+ N-protonated hydrogen isocyanide cnh2+  
223 H2CN Dihydrogen cyanide radical h2cn  
224 H2CN+ hydrocyanonium cation h2cn+  
225 HCNH methyleneazane hcnh  
226 HCNH+ N-protonated HCN hcnh+  
227 H2NN Isodiazene h2nn  
228 N2H2 (Z)-Diazene n2h2z  
229 N2H2+ trans-diazene cation n2h2+  
230 CH2NH+ Methanimine cation ch2nh+  
231 CHNH2 aminomethylene chnh2  
232 CHNH2+ Aminocarbene cation chnh2+  
233 BH2NH2 Boranamine bh2nh2  
234 CH2NH2+ methyleneamine cation ch2nh2+  
235 N2H4+ hydrazine cation n2h4+  
236 CH3NH2+ methyl amine cation ch3nh2+  
237 SiH3NH2 Silane, amino sih3nh2  
238 N2H5+ protonated hydrazine n2h5+  
239 BH3PH3 borane phosphine bh3ph3  
240 CH3NH3 methyl ammonium radical ch3nh3  
241 CH3PH3+ methyl phosphine, protonated ch3ph3+  
242 N2H7+ ammonia ammonium dimer n2h7+  
243 LiS Lithium monosulfide lis  
244 LiS+ Lithium sulfide cation lis+  
245 KO Potassium monoxide ko  
246 KO+ Potassium monoxide cation ko+  
247 NaS Sodium sulfide nas  
248 CuO Copper Monoxide cuo  
249 LiSe Lithium monoselenide lise  
250 CaO Calcium monoxide cao  
251 CaS Calcium sulfide cas  
252 ZnO zinc monoxide zno  
253 ZnS Zinc sulfide zns  
254 ScO Scandium monoxide sco  
255 GaO Gallium monoxide gao  
256 GaS Gallium monosulfide gas  
257 TiO Titanium monoxide tio  
258 GeO Germanium monoxide geo  
259 GeO+ Germanium monoxide cation geo+  
260 GeS Germanium monosulfide ges  
261 SiSe Silicon Monoselenide sise  
262 SiSe+ Silicon Monoselenide cation sise+  
263 GeSe Germanium monoselenide gese  
264 VO Vanadium monoxide vo  
265 NSe Nitrogen monoselenide nse  
266 AsS Arsenic monosulfide ass  
267 PSe Phosphorus monoselenide pse  
268 AsSe Arsenic monoselenide asse  
269 O2-- dioxygen dianion o2--  
270 O2+ diatomic oxygen cation o2+  
271 TeO Tellurium monoxide teo  
272 Te2 Tellurium diatomic te2  
273 KOH Potassium hydroxide koh  
274 CaOH Calcium monohydroxide caoh  
275 COH Hydroxymethylidyne coh  
276 COH+ Carbon Monoxide, protonated coh+  
277 HCO- formyl anion hco-  
278 NOH Hydroxyimidogen noh  
279 NOH+ O-protonated nitric oxide noh+  
280 HNS Sulfur imide hns  
281 HNS- Sulfur imide anion hns-  
282 HSO+ Sulfur Monoxide, S-protonated HSO+  
283 SOH Sulfur Hydroxide soh  
284 SOH+ Sulfur Monoxide, protonated soh+  
285 HS2 Thiosulfeno radical hs2  
286 H2CO- formaldehyde anion h2co-  
287 HOCH hydroxycarbene hoch  
288 H2CS- thioformaldehyde anion h2cs-  
289 H2CS+ thioformaldehyde cation h2cs+  
290 H2CSe Selenoformaldehyde h2cse  
291 H2NO nitroxide h2no  
292 H2O2+ Hydrogen peroxide cation h2o2+  
293 H2OO water oxide h2oo  
294 HOSH hydrogen thioperoxide hosh  
295 H2S2+ hydrogen disulfide cation h2s2+  
296 H2Se2 hydrogen diselenide h2se2  
297 CH3O- methoxy anion ch3o-  
298 CH3O+ Methoxy cation ch3o+  
299 H2CSH+ Thioformaldehyde, protonated h2csh+  
300 NH2OH+ Hydroxylamine cation nh2oh+  
301 NH3O Ammonia Oxide nh3o  
302 H2POH Phosphinous acid h2poh  
303 H3PO Phosphine oxide h3po  
304 NH2SH Thiohydroxylamine nh2sh  
305 NH3S sulfidoazane nh3s  
306 H3O2+ hydrogen peroxide, protonated h3o2+  
307 CH3OH- Methyl alcohol anion ch3oh-  
308 CH3OH+ Methyl alcohol cation ch3oh+  
309 CH3SH+ Methanethiol cation ch3sh+  
310 SiH3OH silanol sih3oh  
311 NH2OH2+ protonated hydroxylamine nh2oh2+  
312 NH3OH+ N-protonated hydroxylamine nh3oh+  
313 CH3OH2+ Methanol, protonated ch3oh2+  
314 CH3SH2+ protonated methylsulfide ch3sh2+  
315 H5O2+ Dihydroxonium ion h5o2+  
316 KF Potassium Fluoride kf  
317 KCl Potassium Chloride kcl  
318 CuF Copper monofluoride cuf  
319 CuCl Copper monochloride cucl  
320 KBr Potassium Bromide kbr  
321 LiI Lithium Iodide lii  
322 NaI Sodium Iodide nai  
323 KI Potassium Iodide ki  
324 CaF Calcium monofluoride caf  
325 CaCl calcium monochloride cacl  
326 TiCl Titanium Monochloride ticl  
327 ZnF Zinc monofluoride znf  
328 ZnF- Zinc monofluoride anion znf-  
329 ZnF+ Zinc monofluoride cation znf+  
330 ZnCl Zinc monochloride zncl  
331 CaBr Calcium monobromide cabr  
332 AlCl Aluminum monochloride alcl  
333 ScF Scandium monofluoride scf  
334 BBr Boron monobromide bbr  
335 GaF Gallium monofluoride gaf  
336 GaF+ Gallium monofluoride cation gaf+  
337 AlBr Aluminum monobromide albr  
338 GaCl Gallium monochloride gacl  
339 GaCl+ Gallium monochloride cation gacl+  
340 AlI Aluminum monoiodide ali  
341 GaBr Gallium monobromide gabr  
342 CBr Carbon monobromide cbr  
343 GeF Germanium monofluoride gef  
344 GeF+ Germanium monofluoride cation gef+  
345 GeCl Germanium monochloride gecl  
346 GeCl+ Germanium monochloride cation gecl+  
347 SiBr Silicon monobromide sibr  
348 SiBr+ Silicon monobromide cation sibr+  
349 AsF Arsenic monofluoride asf  
350 NBr nitrogen monobromide nbr  
351 AsCl Arsenic monochloride ascl  
352 PBr Phosphorus monobromide pbr  
353 SbF Antimony monofluoride sbf  
354 SbCl Antimony monochloride sbcl  
355 BrO Bromine monoxide bro  
356 BrO- Bromine monoxide anion bro-  
357 BrO+ Bromine monoxide cation bro+  
358 SeF Selenium monofluoride sef  
359 SBr Sulfur monobromide radical sbr  
360 SBr+ Sulfur monobromide cation sbr+  
361 SeCl Selenium monochloride secl  
362 IO Iodine monoxide io  
363 SeBr Selenium monobromide sebr  
364 IF Iodine monofluoride if  
365 ICl Iodine monochloride icl  
366 IBr Iodine monobromide ibr  
367 I2 Iodine diatomic i2  
368 I2+ Iodine diatomic cation i2+  
369 HCCl Chloromethylene hccl  
370 HSiF fluorosilylene hsif  
371 HSiCl Chlorosilylene hsicl  
372 HSiBr monobromosilylene hsibr  
373 CHBr bromomethylene chbr  
374 HOCl+ hypochlorous acid cation hocl+  
375 HOBr+ Hypobromous acid cation hobr+  
376 HOI Hypoiodous acid hoi  
377 F2H+ Fluorine, protonated f2h+  
378 FHF Hydrogen difluoride fhf  
379 FHF- Hydrogen difluoride anion fhf-  
380 ClFH+ Chlorine fluoride, F-protonated clfh+  
381 FClH+ Chlorine fluoride, Cl-protonated fclh+  
382 Cl2H+ Chlorine, protonated cl2h+  
383 CH2Br bromomethyl radical ch2br  
384 CH2F fluoromethyl radical ch2f  
385 CH2F+ fluoromethyl cation ch2f+  
386 CH2Cl+ chloromethyl cation ch2cl+  
387 CH2Cl chloromethyl radical ch2cl  
388 CH3F+ methyl fluoride cation ch3f+  
389 CD3F methylfluoride-d3 cd3f  
390 CD3Cl methyl chloride d3 cd3cl  
391 CH3Cl+ Methyl chloride cation ch3cl+  
392 GeH3F monofluorogermane geh3f  
393 GeH3Cl monochlorogermane geh3cl  
394 SiH3Br bromosilane sih3br  
395 CH3I methyl iodide ch3i  
396 SiH3I Silyl Iodide sih3i  
397 NH3Cl+ protonated monochloroammonia nh3cl+  
398 CH3ClH+ methyl chloride, protonated ch3clh+  
399 NH4Cl Ammonium chloride nh4cl  
400 LiNe+ Lithium Neon cation line+  
401 Ne2 Neon diatomic ne2  
402 Ne2+ Neon diatomic cation ne2+  
403 Ar2 Argon diatomic ar2  
404 Ar2+ Argon diatomic cation ar2+  
405 Li3 Lithium trimer li3  
406 Li3+ Lithium trimer cation li3+  
407 SiC2 Silicon dicarbide sic2  
408 C3H3 cyclopropenyl radical cpr  
409 C3H4 cyclopropene cprop  
410 CH3CHCH 1-propenyl radical ch3chch  
411 Zn(CH3)2 dimethyl zinc dmz  
412 C3H7+ cyclopropane, protonated c3h7+  
413 CH3CHCH3+ Isopropyl cation prop2yl+  
414 Si3H8 trisilane si3h8  
415 LiCN lithium cyanide licn  
416 NaCN Sodium Cyanide nacn  
417 KCN Potassium cyanide kcn  
418 CuCN Copper cyanide cucn  
419 ZnCN Zinc monocyanide zncn  
420 ZnNC Zinc isocyanide znnc  
421 AlCN Aluminum monocyanide alcn  
422 AlNC Aluminum isocyanide alnc  
423 CN2 3H-Diazirin-3-ylidene cn2  
424 CNN Diazocarbene cnn  
425 NCN Cyanoimidogen ncn  
426 N3+ azide cation n3+  
427 HCCN cyanomethylene hccn  
428 HCNN diazomethyl radical hcnn  
429 HN3+ Hydrazoic acid cation hn3+  
430 HNCNH diiminomethane hncnh  
431 CH2N2 diazirine ch2n2  
432 HNNNH+ 1,2-Triazadienium n2h3+  
433 NH2NN+ hydrazoic acid, protonated nh2nn+  
434 CH3CN- acetonitrile anion ch3cn-  
435 CH3CN+ Acetonitrile cation ch3cn+  
436 CHNCH2 2H-Azirine c157164  
437 CHNHCH 1H-Azirine chnhch  
438 H2CCNH Ethenimine ch2cnh  
439 H2CNCH methyleneaminomethylene ch2nch  
440 HCCNH2 Ethynamine hccnh2  
441 HCNCH2+ 2H-Azirine cation hcnch2+  
442 HNCNH2+ diiminomethane, protonated hncnh2+  
443 NCNH3+ Cyanamide, protonated ncnh3+  
444 NH2CNH+ cyanamide, cn protonated nh2cnh+  
445 NH3CN+ cyanamide, amine protonated nh3cn+  
446 CH2CHNH vinylazine ch2chnh  
447 CH3CHN methylmethaniminyl radical ch3chn  
448 NH2BHNH2 diaminoborane nh2bhnh2  
449 C2H5NH+ Protonated Aziridine c2h5nh+  
450 C2H6N+ aziridine, protonated c2h6n+  
451 NH2CH2NH2 diaminomethane nh2ch2nh2  
452 CH3PHCH3 dimethylphosphine ch3phch3  
453 NH2CH2NH3+ diaminoethane, protonated pdam  
454 (CH3)2NH2+ dimethylammonium cation dmam  
455 CH3CH2NH3+ ethylamine, protonated pea  
456 Li2O+ dilithium oxide cation li2o+  
457 Li2S dilithium sulfide li2s  
458 Na2S Sodium sulfide na2s  
459 LiO2 Lithium dioxide lio2  
460 NaO2 Sodium superoxide nao2  
461 CCO Dicarbon monoxide cco  
462 CNO- fulminate cno-  
463 NNS Nitrogen sulfide nns  
464 PPO Phosphorus oxide phosphide ppo  
465 CS2- Carbon disulfide anion cs2-  
466 TiO2 Titanium dioxide tio2  
467 SiS2 Silicon disulfide sis2  
468 GeO2 Germanium dioxide geo2  
469 SCSe Carbon sulfide selenide scse  
470 GeS2 Germanium disulfide ges2  
471 CSe2 Carbon diselenide cse2  
472 SCTe Carbon sulfide Telluride scte  
473 NSO sulfinyl amidogen NSO  
474 PO2- Phosphorus dioxide anion po2-  
475 SNO Nitrogen oxide sulfide sno  
476 AsO2 Aresenic dioxide aso2  
477 SO2- Sulfur dioxide anion so2-  
478 S3- Sulfur trimer anion s3-  
479 S3+ Sulfur trimer cation s3+  
480 SeO2+ Selenium dioxide cation seo2+  
481 TeO2 Tellurium Dioxide teo2  
482 CS2H+ Carbon disulfide, protonated cs2h+  
483 HNCS Isothiocyanic acid hncs  
484 HSCN thiocyanic acid hscn  
485 HNNO nitrosoazane hnno  
486 HNNO+ Nitrous oxide, N-protonated hnno+  
487 NNOH+ Nitrous Oxide, O-protonated nnoh+  
488 HCOO formate neutral radical hcoo  
489 O3H+ protonated ozone o3h+  
490 SO2H+ protonated sulfur dioxide so2h+  
491 C2H2O Oxirene oxirene  
492 CH2CS Thioketene ch2cs  
493 Be(OH)2 Beryllium hydroxide beo2h2  
494 Mg(OH)2 Magnesium dihydroxide h2mgo2  
495 NH2NO Nitrosamide nh2no  
496 H2COO Dioxymethyl radical h2coo  
497 H2COO+ dioxymethyl cation h2coo+  
498 H2O3 Hydrogen trioxide h2o3  
499 HSSSH trisulfane hsssh  
500 NaOCH3 Sodium methoxide naoch3  
501 CH2BOH hydroxy(methylene)borane ch2boh  
502 BH3CO Borane carbonyl bh3co  
503 CH3BO Borane, methyloxo- ch3bo  
504 CH2CHO Vinyloxy radical ch2cho  
505 CH2COH+ ketene, protonated ch2coh+  
506 CH3CO- Acetyl anion ch3co-  
507 CH2NOH formaldoxime ch2noh  
508 CH3NO nitrosomethane ch3no  
509 CNOH3 1,2-oxaziridine cnoh3  
510 HOCHNH hydroxymethylimine hochnh  
511 CHSNH2 thioformamide chsnh2  
512 NHCHSH Methanimidothioic acid nhchsh  
513 CH2OOH CH2OOH radical ch2ooh  
514 CH3OO- methylperoxy anion ch3oo-  
515 CH3OO+ methylperoxy cation ch3oo+  
516 C2H4O+ ethylene oxide cation c2h4o+  
517 CH3CHO+ acetaldehyde cation ch3cho+  
518 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
519 CH2CHSH Ethenethiol ch2chsh  
520 H2CONH2+ protonated formamide h2conh2+  
521 NH2CHOH+ Formamide, O-protonated nh2choh+  
522 NH3CHO+ Formamide, N-Protonated nh3cho+  
523 CH2(OH)2 methanediol ch2o2h2  
524 CH3SSH Hydrogen methyl disulfide ch3ssh  
525 HSCH2SH Methanedithiol ch4s2  
526 C2H4OH+ ethylene oxide, protonated c2h4oh+  
527 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
528 CH3CH2O Ethoxy radical ethoxy  
529 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
530 CH3CHOH+ acetaldehyde, protonated ch3choh+  
531 CH3OCH2 methoxymethyl radical ch3och2  
532 NH2CH2OH aminomethanol nh2ch2oh  
533 CH3SCH3+ dimethyl sulfide cation mesme+  
534 CH3SeCH3 dimethylselenide dmse  
535 CuF2 Copper difluoride cuf2  
536 ZnF2 Zinc difluoride znf2  
537 CNF iso cyanogen fluoride cnf  
538 ICN Cyanogen iodide icn  
539 FBO Boron monofluoride monoxide fbo  
540 BeF2 Beryllium fluoride bef2  
541 MgF2 Magnesium fluoride mgf2  
542 BeCl2 Beryllium chloride becl2  
543 CaCl2 Calcium Chloride cacl2  
544 ZnCl2 Zinc dichloride zncl2  
545 BeBr2 Beryllium bromide bebr2  
546 CaBr2 Calcium dibromide cabr2  
547 CaF2 Calcium difluoride caf2  
548 FCO Carbonyl fluoride fco  
549 FCO+ Carbonyl fluoride cation fco+  
550 ClCO carbonyl monochloride clco  
551 BF2 Boron difluoride radical bf2  
552 FNS Thionitrosyl fluoride fns  
553 FSN Thiazyl fluoride fsn  
554 OPCl Phosphorus oxychloride opcl  
555 BrNO Nitrosyl bromide brno  
556 INO Nitrosyl iodide ino  
557 CFCl chlorofluoromethylene cfcl  
558 SiF2 Silicon difluoride sif2  
559 SiF2+ Silicon difluoride cation sif2+  
560 CCl2- dichloromethylene anion ccl2-  
561 GeF2 Germanium difluoride gef2  
562 GeCl2 Germanium dichloride gecl2  
563 CBr2 dibromomethylene cbr2  
564 FOO+ Fluorine dioxide cation foo+  
565 OClO- Chlorine dioxide anion oclo-  
566 OClO+ Chlorine dioxide cation oclo+  
567 ClSO Sulfur chloride oxide clso  
568 BrOO Bromine dioxide broo  
569 OBrO Bromine dioxide radical obro  
570 PF2 Phosphorus difluoride pf2  
571 PF2+ Phosphorus difluoride cation pf2+  
572 FClO chlorosyl fluoride fclo  
573 ClOF Chlorine hypofluorite clof  
574 SeF2 Selenium difluoride sef2  
575 BrOCl Bromine hypochlorite brocl  
576 SeCl2 Selenium Dichloride secl2  
577 SBr2 Sulfur dibromide sbr2  
578 SeBr2 Selenium dibromide sebr2  
579 BrOBr Bromine oxide brobr  
580 F3- trifluoride anion f3-  
581 Cl3- trichloride anion cl3-  
582 Br3- tribromide anion br3-  
583 I3- triiodide i3-  
584 SFCl Sulfur chloride fluoride sfcl  
585 HCCF+ fluoroacetylene cation hccf+  
586 HCCCl Chloroacetylene hcccl  
587 HCCBr bromoacetylene hccbr  
588 HFCO formyl fluoride hfco  
589 HFCO+ formyl fluoride cation hfco+  
590 COHCl Formyl chloride cohcl  
591 COHBr Formyl bromide cohbr  
592 CHCl2 dichloromethyl radical chcl2  
593 CHF2 difluoromethyl radical chf2  
594 CHF2+ difluoromethyl cation chf2+  
595 CHFCl Chlorofluoromethyl radical chfcl  
596 CHFCl+ Chlorofluoromethyl cation chfcl+  
597 CHCl2+ dichloromethyl cation chcl2+  
598 CHBr2 dibromomethyl radical chbr2  
599 HOClO Chlorous acid hoclo  
600 NHF2 difluoramine nhf2  
601 NHCl2 dichloroamine nhcl2  
602 SiH2F2 difluorosilane sih2f2  
603 CH2BrF Methane, bromofluoro- ch2fbr  
604 CH2BrCl Methane, bromochloro- ch2clbr  
605 CH2FI fluoroiodomethane ch2fi  
606 CH2ClI chloroiodomethane ch2cli  
607 CH2BrI bromoiodomethane ch2bri  
608 CH2I2 Diiodomethane ch2i2  
609 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
610 CH2CHF+ fluoroethene cation ch2chf+  
611 C2H3I Vinyl iodide c2h3i  
612 CH2FOH fluoromethanol ch2foh  
613 CH3OCl methyl hypochlorite ch3ocl  
614 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
615 CHClCH3 1-chloroethyl radical chclch3  
616 CH3SiFH2 fluoromethylsilane ch3sifh2  
617 C2H5I Ethyl iodide c2h5i  
618 KrF2 Krypton difluoride krf2  
619 XeF2 Xenon difluoride xef2  
620 B4H10 Tetraborane(10) b4h10  
621 C4+ Carbon tetramer cation c4+  
622 C4H2+ diacetlyene cation c4h2+  
623 C4H4 cyclobutadiene cbd  
624 C4H4 Tetrahedrane c4h4  
625 CHCCH2CH3 1-Butyne c107006  
626 CH3CHCHCH2 methylallyl radical c4h7  
627 C4H8 methylcyclopropane mcp  
628 CH2CHCH2CH3 1-Butene bute1  
629 B(CH3)3 trimethylborane bme3  
630 Al(CH3)3 trimethyl aluminum tma  
631 SiH(CH3)3 trimethylsilane trimsi  
632 Li3N trilithium nitride li3n  
633 C2N2+ Cyanogen cation c2n2+  
634 As4 Arsenic tetramer as4  
635 HCCCN+ Cyanoacetylene cation hcccn+  
636 H2CNCN cyanamide, methylene ch2ncn  
637 HNCCNH Ethenediimine hnccnh  
638 C3H3N+ acrylonitrile cation ch2chcn+  
639 CH3N3 methyl azide ch3n3  
640 NH2CCNH2 Diaminoacetylene daa  
641 NH2CH2CN Aminoacetonitrile aan  
642 CH3NHN2+ methyl azide, protonated ch3nhn2+  
643 C2H5CN ethyl cyanide c2h5cn  
644 CH5N3 Guanidine guanidine  
645 C4H6 Bicyclo[1.1.0]butane c157335  
646 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
647 H2NCHCHNH2 diaminoethylene dae  
648 CH6N3+ guanidinium ch6n3+  
649 CH7N3 triaminomethane tam  
650 C3H7N Azetidine azet  
651 CH3NHNHCH3 dimethyl hydrazine dmh  
652 P(CH3)3 trimethylphosphine tmp  
653 N(SiH3)3 trisilylamine tsa  
654 As(CH3)3 trimethyl arsine tmas  
655 (CH3)3NH+ protonated trimethyl amine ptma  
656 C3H7NH3+ n-propylamine, protonated c3h7nh2  
657 Li2O2 dilithium dioxide li2o2  
658 Na2O2 disodium dioxide na2o2  
659 K2O2 dipotassium dioxide k2o2  
660 C3O Tricarbon monoxide c3o  
661 ONNO NO dimer onno  
662 S2N2 Disulfur dinitride s2n2  
663 CO3 Carbon trioxide co3  
664 CS3-- Carbonotrithioate cs3--  
665 NO3- nitrate anion no3-  
666 NO3+ nitrogen trioxide cation no3+  
667 SO3-- Sulfate dianion so3--  
668 SO3+ Sulfur trioxide cation so3+  
669 SeO3 selenium trioxide seo3  
670 S4 Sulfur tetramer s4  
671 TeO3 Tellurium trioxide teo3  
672 HCO3- bicarbonate anion hco3-  
673 HSO3 Hydroxysulfonyl radical hso3  
674 NH2NO2 nitramide nh2no2  
675 C2H2CO cyclopropenone c2h2co  
676 C3H2O Propadienal c3h2o  
677 HCCCHO 2-propynal hcccho  
678 C2H2O2+ Ethanedial cation c2h2o2+  
679 H2CO3 Carbonic acid h2co3  
680 H2CS3 thiocarbonic acid h2cs3  
681 H2NO3+ Nitric Acid, Protonated h2no3+  
682 H2SO3 Sulfurous acid h2so3  
683 C2H3NO Nitrosoethylene c2h3no  
684 CH3NCO methylisocyante ch3nco  
685 HOCH2CN cyanomethanol hoch2cn  
686 NH2COOH Carbamic acid nh2cooh  
687 H3BO3 Boric acid h3bo3  
688 H3AlO3 Aluminum hydroxide h3alo3  
689 H3CO3+ carbonic acid, protonated h3co3+  
690 NH2CONH2+ Urea cation urea+  
691 C2H4O2 1,3-dioxetane c2h4o2  
692 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
693 NH3COOH+ protonated Carbamic acid nh3cooh+  
694 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
695 CH3COCH2 Acetonyl radical ch3coch2  
696 CH2C(OH)NH2 1-amino vinyl alchohol ava  
697 CH3C(OH)=NH Ethaninidic acid eia  
698 HCONHCH3 N-methylformamide nmfa  
699 CH3CSNH2 Ethanethioamide ch3csnh2  
700 CH5N2O+ urea, N-protonated ch4n2o+  
701 H2NCOHNH2+ urea, protonated ureah+  
702 C2H5OO ethylperoxy radical c2h5oo  
703 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
704 C3H5OH Cyclopropanol cproh  
705 C3H6O 2-Propen-1-ol c107186  
706 C3H6O Acetone enol enol  
707 C3H6O Oxetane oxetane  
708 CH3COCH3- acetone anion ch3coch3-  
709 CH3CSCH3 Thioacetone ch3csch3  
710 CH3OOCH3 dimethylperoxide dmp  
711 CH3COHCH3+ acetone, protonated acetoneh+  
712 HOCH2CH2NH2 monoethanolamine mea  
713 C3H7OH 1-Propanol proh  
714 Li2F2 Lithium fluoride dimer li2f2  
715 Na2F2 Sodium Fluoride Dimer na2f2  
716 C2Cl2+ dichloroacetylene cation c2cl2+  
717 FNO2 Nitryl fluoride fno2  
718 FONO Nitrosyl hypofluorite fono  
719 ClONO chlorine nitrite clono  
720 BrONO Bromine nitrite brono  
721 CF2O+ Carbonic difluoride cation f2co+  
722 COFCl Carbonic chloride fluoride cofcl  
723 Cl2CS Thiophosgene cl2cs  
724 COBr2 Carbonic dibromide cobr2  
725 BF3- Borane, trifluoro- anion bf3-  
726 BF3+ boron trifluoride cation bf3+  
727 BClF2 Chlorodifluoroborane bclf2  
728 ScF3 Scandium trifluoride ScF3  
729 BCl3+ Boron Trichloride cation bcl3+  
730 GaF3 Gallium trifluoride gaf3  
731 GaCl3 Gallium trichloride gacl3  
732 BBr3 Boron tribromide bbr3  
733 AlBr3 Aluminum Bromide albr3  
734 ClO3 Chlorine trioxide clo3  
735 BrO3- Bromate anion bro3-  
736 CF2Cl difluorochloromethyl radical cf2cl  
737 SiF3 Silicon trifluoride radical sif3  
738 SiF3+ Silicon trifluoride cation sif3+  
739 CFCl2 dichlorofluoromethyl radical cfcl2  
740 CCl3+ Trichloromethyl cation ccl3+  
741 SiCl3 trichlorosilyl radical sicl3  
742 SiCl3+ trichlorosilyl cation sicl3+  
743 CBr3 tribromomethyl radical cbr3  
744 FOOF Perfluoroperoxide foof  
745 ClO2F Chloryl fluoride clo2f  
746 F2SO Thionyl Fluoride f2so  
747 ClOOCl Dichlorine dioxide cloocl  
748 FSSF Difluorodisulfane fssf  
749 S2F2 Thio-thionyl fluoride s2f2  
750 SSCl2 Thiothionyl chloride sscl2  
751 SeOCl2 selenium oxychloride seocl2  
752 NF3+ Nitrogen trifluoride cation nf3+  
753 NCl3 nitrogen trichloride ncl3  
754 AsF3 Arsenic trifluoride asf3  
755 SbF3 Antimony Trifluoride sbf3  
756 AsCl3 Arsenous trichloride ascl3  
757 SbCl3 Antimony Trichloride sbcl3  
758 NBr3 Nitrogen Tribromide nbr3  
759 PBr3 Phosphorus tribromide pbr3  
760 AsBr3 Arsenic tribromide asbr3  
761 NI3 Nitrogen triiodide ni3  
762 PI3 Phosphorus triiodide pi3  
763 SF3 Sulfur trifluoride sf3  
764 ClF3 Chlorine trifluoride clf3  
765 IF3 iodone trifluoride if3  
766 HClO3 Chloric Acid hclo3  
767 SiHF3 trifluorosilane sihf3  
768 CDCl3 trichloromethane-d cdcl3  
769 CHBrF2 Methane, bromodifluoro- chbrf2  
770 CHFClBr fluorochlorobromomethane chfclbr  
771 CHBrCl2 Methane, bromodichloro- chbrcl2  
772 CHF2I difluoroiodomethane chf2i  
773 CHBr2F dibromofluoromethane chbr2f  
774 CHFClI fluorochloroiodomethane chfcli  
775 CHCl2I dichloroiodomethane chcl2i  
776 CHClBr2 Methane, dibromochloro- chclbr2  
777 CHI3 Iodoform chi3  
778 NF3H+ protonated nitrogen trifluoride nf3h+  
779 AsF3H+ Arsenic trifluoride, protonated asf3h+  
780 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
781 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
782 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
783 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
784 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
785 C2H2Br2 1,1-dibromoethene c2h2br2  
786 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
787 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
788 CH2FCHO Fluoroacetaldehyde ch2fcho  
789 CH2ClCHO chloroacetaldehyde ch2clcho  
790 C2H4F2 1,2-difluoroethane c2h4f2  
791 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
792 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
793 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
794 CH2CFCH3 2-fluoropropene 2fpro  
795 CH2CHCH2F Allyl Fluoride allylf  
796 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
797 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
798 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
799 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
800 CH2FCH2CH3 1-Fluoropropane prf1  
801 CH3CHFCH3 2-Fluoropropane prf2  
802 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
803 CH3CHClCH3 Propane, 2-chloro- prcl2  
804 CH3CH2CH2Br n-propyl bromide prbr  
805 CH3CHBrCH3 i-propyl bromide iprbr  
806 C3H9O+ trimethyl oxonium cation c3h9o+  
807 B5H9 pentaborane9 b5h9  
808 C5H4 pentatetraene ptrene  
809 C5H5 cyclopentadienyl radical c5h5  
810 C5H6 1,3-Cyclopentadiene c542927  
811 C5H6 1-Buten-3-yne, 2-methyl- c78808  
812 C5H6 3-Penten-1-yne, (E)- c2004695  
813 C5H6 3-Penten-1-yne, (Z)- c1574409  
814 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
815 C5H6 Propellane propellane  
816 C5H7 1,3-pentadienyl radical pdyl  
817 C5H7 cyclopentenyl radical cpyl  
818 C5H8 1,2-Butadiene, 3-methyl- c598254  
819 C5H8 1,2-Pentadiene c591957  
820 C5H8 1,3-Butadiene, 2-methyl- c78795  
821 C5H8 1,3-Pentadiene, (E)- c2004708  
822 C5H8 1,3-Pentadiene, (Z)- c1574410  
823 C5H8 1,4-Pentadiene c591935  
824 C5H8 1-pentyne a1pentyne  
825 C5H8 2,3-Pentadiene c591968  
826 C5H8 Bicyclo[1.1.1]pentane bcp  
827 C5H8 Cyclobutane, methylene- c1120565  
828 C5H8 Ethenylcyclopropane c693867  
829 CH3CCCH2CH3 2-Pentyne 2pentyne  
830 C5H10 1-Butene, 2-methyl- c563462  
831 C5H10 2-Butene, 2-methyl- c513359  
832 C5H10 2-Pentene, (E)- c646048  
833 C5H10 2-Pentene, (Z)- c627203  
834 C5H10 Cyclopentane c287923  
835 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
836 CH2CHCH2CH2CH3 1-pentene pentene  
837 C5H11 2-Methylbut-2-yl radical c4348350  
838 C5H12 Pentane pentane  
839 C5H12 Propane, 2,2-dimethyl- neopentane  
840 Si(CH3)4 tetramethylsilane tms  
841 N2O3 Dinitrogen trioxide n2o3  
842 C3H2N2 Malononitrile c3h2n2  
843 CH2N4 1H-Tetrazole 1htz  
844 C3H3N2 imidazolyl radical im  
845 C3H3N2- imidizolyl anion im-  
846 C2H3N3 1H-1,2,4-Triazole c288880  
847 C4H4N pyrrolide radical c4h4n  
848 C4H4N- pyrrolide anion c4h4n-  
849 C3H4N2 1H-Imidazole 1himidaz  
850 C3H4N2 1H-Pyrazole 1hpyraz  
851 C3H4N2 2H-Imidazole imid2h  
852 C3H4N2 4H-Imidazole imid4h  
853 C4H5N (E)-2-Butenenitrile c627269  
854 C4H5N (Z)-2-Butenenitrile c1190767  
855 C4H5N 2H-pyrrole pyrrole2  
856 C4H5N 3H-pyrrole pyrrole3  
857 C4H5N Cyclopropanecarbonitrile c5500210  
858 C4H5N Pyrrole pyrrole  
859 CH2CHCH2CN Allylcyanide ch2chch2cn  
860 C4H6N+ pyrrole, alpha-protonated appyr  
861 C4H6N+ pyrrole, beta-protonated bppyr  
862 C4H6N+ pyrrole, protonated ppyr  
863 C3H6N2 3-Aminopropionitrile c151188  
864 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
865 CH3CH2CH2CN Butanenitrile c109740  
866 C5H8 Bicyclo[2.1.0]pentane c185944  
867 C5H8 Spiropentane c157404  
868 C4H9N Cyclobutylamine cbam  
869 C4H9N Pyrrolidine pyrrolidine  
870 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
871 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
872 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
873 NH(C2H5)2 diethylamine dea  
874 NC4H12+ tetramethyl ammonium cation nc4h12+  
875 C3O2 Carbon suboxide c3o2  
876 C3O2+ Carbon suboxide cation c3o2+  
877 B2O3 diboron trioxide b2o3  
878 MgCO3 Magnesium Carbonate mgco3  
879 BeCO3 Beryllium Carbonate beco3  
880 CaCO3 Calcium Carbonate caco3  
881 ONONO Nitrosyl nitrite onono  
882 PO4--- phosphate po4---  
883 HOONO2 peroxy nitric acid hoono2  
884 HSO4- bisulfate anion hso4-  
885 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
886 C3H2O2 Propiolic acid c3h2o2  
887 CHOCOOH oxo acetic acid oaa  
888 CHOOCHO diformyl ether choocho  
889 H2SO4 Sulfuric acid h2so4  
890 H2SeO4 Selenic acid h2seo4  
891 C3H3NO Isoxazole isox  
892 C3H3NO Oxazole oxazole  
893 C3H3NS Thiazole thiazole  
894 CH3C(O)OO acetyl peroxy radical ch3coo2  
895 CH3NO3 Methyl nitrate ch3no3  
896 H3PO4 Phosphoric Acid h3po4  
897 C4H4O Furan furan  
898 C4H4O+ Furan cation furan+  
899 CH3COCCH 3-butyn-2-one c1423605  
900 C4H4S Thiophene furans  
901 C4H4Se selenophene c4h4se  
902 C3H4O2 2-Propenoic acid propenoic2  
903 C3H4O2 Methyl glyoxal megly  
904 C3H4O2 propanedial propanedial  
905 C3H4O2 propenalol propenalol  
906 HOCHCCHOH allenediol aldiol  
907 C2H4O3 1,2,3-trioxolane c2h4o3  
908 C2H4O3 trioxolane124 triox  
909 HOCH2COOH Hydroxyacetic acid hac  
910 CH2CHCONH2 Acrylamide c79061  
911 CH3OCH2CN Methoxyacetonitrile c1738369  
912 CH5N3S Hydrazinecarbothioamide c79196  
913 H2NCH2COOH Glycine glycine  
914 CH3SO2NH2 methanesulfonamide ch3so2nh2  
915 C4H6O cis-2-butenal butenal2c  
916 C4H6O Cyclobutanone cbutone  
917 C4H6O Furan, 2,3-dihydro- furan23h  
918 C4H6O Furan, 2,5-dihydro- furan25h  
919 CH2CHOCHCH2 Vinyl ether vinylether  
920 CHOCHCHCH3 2-Butenal butenal2  
921 C4H6S Thiophene, 2,3-dihydro- thiop23h  
922 C4H6S Thiophene, 2,5-dihydro- thiop25h  
923 C2H6N2O Urea, methyl- c598505  
924 CH3CH2COOH Propanoic Acid propanoic  
925 HCOOC2H5 Ethyl formate faee  
926 C2H6O2S Dimethyl sulfone c67710  
927 CH3SSSCH3 dimethyl trisulfide c2h6s3  
928 C3H7NO dimethylformamide dmf  
929 C3H7NO Propanamide propanam  
930 C2H3OC2H5 Ethene, ethoxy- c109922  
931 C4H8O Cyclobutanol c2919235  
932 C4H8O Furan, tetrahydro- thf  
933 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
934 CH3COCH2CH3 2-Butanone buta2one  
935 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
936 C4H8S Thiophene, tetrahydro- tht  
937 C3H8O2 1,3-Propanediol c504632  
938 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
939 C3H8O2 Methane, dimethoxy- c109875  
940 C3H8O2 Propylene glycol c57556  
941 C3H8S2 1,3-Propanedithiol c109808  
942 C4H10O 1-Butanol butanol1  
943 C4H10O 1-Propanol, 2-methyl- c78831  
944 C4H10O 2-Butanol, (.+/-.)- butanol2  
945 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
946 C4H10O Ethoxy ethane etoet  
947 C4H10O Methyl propyl ether meopr  
948 C4H10O Propane, 2-methoxy- c598538  
949 C4H10O+ 1-Butanol cation butanol1+  
950 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
951 C2H5SC2H5 Diethyl sulfide etset  
952 C4H9SH 1-Butanethiol bush  
953 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
954 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
955 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
956 FNO3 Fluorine nitrate fno3  
957 ClONO2 Chlorine nitrate clono2  
958 BrONO2 Bromine nitrate brono2  
959 TiCl4 Titanium tetrachloride ticl4  
960 ClFO3 Perchloryl fluoride clfo3  
961 SO2F2 Sulfuryl fluoride so2f2  
962 SO2Cl2 Sulfuryl chloride so2cl2  
963 F3NO Nitrogen trifluoride oxide f3no  
964 F3PO Phosphoryl fluoride pf3o  
965 Cl3PO Phosphoryl chloride pcl3o  
966 CF4 Carbon tetrafluoride cf4  
967 CF3Cl Methane, chlorotrifluoro- cf3cl  
968 SiF4 Silicon tetrafluoride sif4  
969 CF2Cl2 difluorodichloromethane cf2cl2  
970 TiF4 Titanium tetrafluoride tif4  
971 CFCl3 Trichloromonofluoromethane cfcl3  
972 CF3Br Bromotrifluoromethane cf3br  
973 GeF4 Germanium tetrafluoride gef4  
974 CCl4 Carbon tetrachloride ccl4  
975 CCl4+ Carbon tetrachloride cation ccl4+  
976 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
977 SiCl4 Silane, tetrachloro- sicl4  
978 CBrCl2F bromodichlorofluoromethane cbrcl2f  
979 CF3I trifluoroiodomethane cf3i  
980 CBrCl3 Methane, bromotrichloro- cbrcl3  
981 CBr2F2 Methane, dibromodifluoro- cbr2f2  
982 GeCl4 Germanium Tetrachloride gecl4  
983 CBr2ClF dibromochlorofluoromethane cbr2clf  
984 CBr2Cl2 dibromodichloromethane cbr2cl2  
985 CCl3I trichloroiodomethane ccl3i  
986 CFBr3 fluorotribromomethane cfbr3  
987 CFClBrI fluorochlorobromoiodomethane cfclbri  
988 CBr3Cl tribromochloromethane cbr3cl  
989 CF2I2 difluorodiiodomethane cf2i2  
990 CBr4 Carbon tetrabromide cbr4  
991 CCl2I2 dichlorodiiodomethane ccl2i2  
992 SiBr4 Silicon tetrabromide sibr4  
993 CBr3I tribromoiododmethane cbr3i  
994 GeBr4 Germanium tetrabromide gebr4  
995 CI4 tetraiodomethane ci4  
996 SiI4 silicon tetraiodide sii4  
997 ClOF3 Chlorine trifluoride oxide clof3  
998 SF4 Sulfur tetrafluoride sf4  
999 SeF4 Selenium tetrafluoride sef4  
1000 SCl4 Sulfur tetrachloride scl4  
1001 C2HF3 Trifluoroethylene c2hf3  
1002 C2HF3+ Trifluoroethylene cation c2hf3+  
1003 CHClCCl2 Trichloroethylene chclccl2  
1004 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1005 HClO4 perchloric acid hclo4  
1006 HSO3F Fluorosulfonic acid hso3f  
1007 CF3OH trifluoromethanol cf3oh  
1008 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1009 CHClCCHCl 1,3-dichloroallene chclcchcl  
1010 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1011 CHCl2CHO dichloroacetaldehyde chcl2cho  
1012 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1013 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1014 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1015 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1016 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1017 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1018 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1019 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1020 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1021 NH3BCl3 Amminetrichloroboron nh3bcl3  
1022 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1023 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1024 C3H5ClO Oxirane, (chloromethyl)- c106898  
1025 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1026 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1027 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1028 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1029 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1030 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1031 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1032 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1033 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1034 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1035 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1036 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1037 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1038 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1039 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1040 C4H9F 1-fluorobutane butaf1  
1041 CH3CHFCH2CH3 2-fluorobutane butaf2  
1042 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1043 XeF4 Xenon tetrafluoride xef4  
1044 C2H2N2O Furazan furazan  
1045 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1046 NH3BF3 Amminetrifluoroboron nh3bf3  
1047 C6H2 hexatriyne c6h2  
1048 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1049 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1050 C6H4 Benzyne benzyne  
1051 C6H5 phenyl phenyl  
1052 C6H5- phenyl anion phenyl-  
1053 C6H6 Prismane prismane  
1054 C6H6 1,2,4,5-Hexatetraene ht1245  
1055 C6H6 2,4-Hexadiyne hexadiyne  
1056 C6H6 3,4-Dimethylenecyclobutene cb34m  
1057 C6H6 Benzene benzene  
1058 C6H6 Benzvalene bv  
1059 C6H6 Dewar Benzene dewar  
1060 C6H6 Hexa-1,5-diene-3-yne hdy153  
1061 C6H6 Trimethylenecycopropane tmcp  
1062 C6H6+ Benzene cation c6h6+  
1063 C6H7+ benzene, protonated c6h7+  
1064 C6H8 (E)-hexa-1,3,5-triene c821078  
1065 C6H8 (E)-hexa-2,3,4-triene c59660650  
1066 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1067 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1068 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1069 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1070 C6H8 3-Methylenecyclopentene c930267  
1071 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1072 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1073 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1074 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1075 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1076 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1077 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1078 C6H10 1,5-Hexadiene c592427  
1079 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1080 C6H10 1-Hexyne hexyne1  
1081 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1082 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1083 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1084 C6H10 2-Hexyne c764352  
1085 C6H10 3-Hexyne hexyne3  
1086 C6H10 cyclohexene cyclohexene  
1087 C6H10 Cyclopentene, 1-methyl- c693890  
1088 C6H10 Cyclopentene, 3-methyl- c1120623  
1089 C6H10 Cyclopentene, 4-methyl- c1759815  
1090 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1091 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1092 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1093 C6H12 (E)-2-Hexene e2hexene  
1094 C6H12 (E)-3-methylpent-2-ene c616126  
1095 C6H12 (E)-hex-3-ene e3hexene  
1096 C6H12 (Z)-3-methylpent-2-ene c922623  
1097 C6H12 (Z)-hex-2-ene z2hexene  
1098 C6H12 (Z)-hex-3-ene z3hexene  
1099 C6H12 2,3-dimethylbut-1-ene c563780  
1100 C6H12 2,3-dimethyl-but-2-ene tmeet  
1101 C6H12 3-methylenepentane c760214  
1102 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1103 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1104 C6H12 Cyclohexane cyclohexane  
1105 C6H12 Cyclopentane, methyl- c96377  
1106 C6H12 Ethylcyclobutane c4806615  
1107 C6H12 hex-1-ene hexene1  
1108 C6H14 Butane, 2,2-dimethyl- buta22  
1109 C6H14 Butane, 2,3-dimethyl- buta23  
1110 C6H14 Hexane hexane  
1111 C6H14 Pentane, 2-methyl- penta2  
1112 C6H14 Pentane, 3-methyl- penta3  
1113 C4N2 2-Butynedinitrile c4n2  
1114 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1115 C4H2N2 Fumaronitrile c4h2n2  
1116 C2H2N4 sym-tetrazine ttz  
1117 C3H3N3 1,3,5-Triazine triazine135  
1118 CH3N5 5-Aminotetrazole c4418615  
1119 C4H4N2 1,3-Diazine diazine13  
1120 C4H4N2 Pyrazine pyrazine  
1121 C4H4N2 Pyridazine pyridazine  
1122 C4H4N2 Succinonitrile c110612  
1123 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1124 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1125 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1126 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1127 C5H5N E-2,4-pentadienenitrile bdcn  
1128 C5H5N Pyridine pyridine  
1129 B3N3H6 borazine borazine  
1130 C6H6 Fulvene fulvene  
1131 C5H6N+ Pyridinium c5h6n  
1132 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1133 C5H7N (E)-2-Pentenenitrile c26294984  
1134 C5H7N (E)-3-Pentenenitrile c16529661  
1135 C5H7N (Z)-2-Pentenenitrile c25899507  
1136 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1137 C5H7N Cyclobutanecarbonitrile c4426113  
1138 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1139 C5H9N Butanenitrile, 2-methyl- c18936179  
1140 C5H9N Pentanenitrile c110598  
1141 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1142 C6H10 Bicyclo[3.1.0]hexane c285585  
1143 C5H11N Cyclopentanamine cypentam  
1144 C5H11N Piperidine piper  
1145 C4H12N2 1,2-Butanediamine c4426486  
1146 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1147 Li2CO3 Lithium Carbonate li2co3  
1148 Na2CO3 Sodium Carbonate na2co3  
1149 C2O4-- oxalate anion c2o4  
1150 MgSO4 Magnesium Sulfate mgso4  
1151 N2O4 Dinitrogen tetroxide n2o4  
1152 C3H2O3 vinylene carbonate vica  
1153 C2H2O4 Oxalic Acid oxalic  
1154 C2H3NO3 Oxamic acid oxamic  
1155 C4H4O2 2(5H)-Furanone furanone  
1156 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1157 C2H4N2O2 Oxalamide oxalamide  
1158 C2H4N2S2 Ethanedithioamide c79403  
1159 C2H4CO3 Ethylene carbonate etco3  
1160 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1161 C3H4S3 1,3-Dithiolane-2-thione c822388  
1162 C2H4O4 Formic acid dimer fadimer  
1163 C4H5NO 3-Methylisoxazole isox3m  
1164 C4H5NO Isoxazole, 5-methyl- c5765446  
1165 C4H5NS 4-Methylthiazole c693958  
1166 C2H5NO3 Nitric acid, ethyl ester c625581  
1167 C5H6O 2H-Pyran pyran2  
1168 C5H6O 2-methylfuran furan2m  
1169 C5H6O 3-Methylfuran furan3m  
1170 C5H6O Pentadienal pdal  
1171 C5H6S Thiophene, 2-methyl- c554143  
1172 C5H6S Thiophene, 3-methyl- c616444  
1173 C4H6O2 γ–Butyrolactone c96480  
1174 C4H6O2 2,3-Butanedione c431038  
1175 C4H6O2 2-Propenoic acid, methyl ester c96333  
1176 C4H6O2 Crotonic Acid crot  
1177 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1178 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1179 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1180 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1181 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1182 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1183 C4H6OS Vinyl sulfoxide c1115157  
1184 CH6N4S Carbonothioic dihydrazide thiacarb  
1185 C2H6N2O2 (E)-Azodioxymethane c37765154  
1186 C2H6N2O2 Dimethylnitroamine c4164287  
1187 C3H6O3 1,3,5-Trioxane trioxane  
1188 C3H6S3 1,3,5-Trithiane c3h6s3  
1189 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1190 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1191 C4H7NO 2-Pyrrolidinone c616455  
1192 C4H7NO Ethoxyacetonitrile etoaccn  
1193 C4H7NO Methacrylamide c79390  
1194 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1195 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1196 C3H7ONO Propyl nitrite prono  
1197 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1198 CH3CH(NH2)COOH Alanine alanine  
1199 CH3NHCH2COOH Sarcosine sarcosine  
1200 NH2CH2CH2COOH β–alanine betaalanine  
1201 NH2COOC2H5 Urethane urethane  
1202 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1203 C5H8O Cyclopentanone c120923  
1204 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1205 C5H8O Methyl cyclopropyl ketone c765435  
1206 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1207 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1208 NH2CONHC2H5 Urea, ethyl- c625525  
1209 C4H8O2 1,3-Dioxane dioxan13  
1210 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1211 C4H8O2 1,4-Dioxane dioxan14  
1212 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1213 C4H8O2 Ethyl acetate c141786  
1214 C4H8OS s-Ethyl thioacetate c625605  
1215 C3H8O3 1,2,3-Propanetriol glycerin  
1216 C3H8O2S (Methylsulfonyl)ethane c594434  
1217 C4H9NO Butanamide c541355  
1218 C4H9NO Propanamide, 2-methyl- c563837  
1219 C5H10O 2-Butanone, 3-methyl- c563804  
1220 C5H10O 2H-Pyran, tetrahydro- c142687  
1221 C5H10O 2-methylbutyraldehyde 2meba  
1222 C5H10O 2-Pentanone mpk  
1223 C5H10O 3-Pentanone dek  
1224 C5H10O Cyclopentanol c96413  
1225 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1226 C5H10O Pentanal pal  
1227 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1228 C5H10S 3-Ethylthio-1-propene c5296628  
1229 C5H10S Cyclopentanethiol c1679078  
1230 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1231 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1232 C4H10O2 1,1-Dimethoxyethane c534156  
1233 C4H10O2 1,3-Butanediol budiol13  
1234 C4H10O2 1,4-Butanediol budiol14  
1235 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1236 C4H10OS Diethyl sulfoxide c70291  
1237 C4H10S2 1,4-Butanedithiol budisl14  
1238 C4H11NO Diethylhydroxylamine c3710847  
1239 C5H12O 1-Butanol, 2-methyl- c137326  
1240 C5H12O 1-Butanol, 3-methyl- c123513  
1241 C5H12O 1-Pentanol pentanol1  
1242 C5H12O 2-Butanol, 3-methyl- c598754  
1243 C5H12O 2-Pentanol peol2  
1244 C5H12O 3-Pentanol pentan3ol  
1245 C5H12O Butane, 1-methoxy- meobu  
1246 C5H12O Propane, 1-ethoxy- proet  
1247 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1248 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1249 C5H12S 1-Butanethiol, 3-methyl- c541311  
1250 C5H12S 1-Pentanethiol c110667  
1251 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1252 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1253 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1254 C5H12S Butane, 1-(methylthio)- c628295  
1255 C5H12S Ethyl propyl sulfide c4110503  
1256 C5H12S Propane, 2-(ethylthio)- c5145993  
1257 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1258 C4F2 difluorobutadiyne c4f2  
1259 ClCOClCO Oxalyl chloride oxcl  
1260 CF3CN Acetonitrile, trifluoro- cf3cn  
1261 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1262 B2F4 Diboron tetrafluoride b2f4  
1263 B2Cl4 Diboron tetrachloride b2cl4  
1264 C2F4 Tetrafluoroethylene c2f4  
1265 C2F4+ Tetrafluoroethylene cation c2f4+  
1266 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1267 CF2CCl2 difluorodichloroethylene cf2ccl2  
1268 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1269 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1270 C2FCl3 fluorotrichloroethene c2fcl3  
1271 C2Cl4 Tetrachloroethylene c2cl4  
1272 C2Br4 tetrabromoethene c2br4  
1273 CF3OF Trifluoromethylhypofluorite cf3of  
1274 SiF5- silicon pentafluoride anion sif5-  
1275 SOF4 Sulfur tetrafluoride oxide sof4  
1276 PF5 Phosphorus pentafluoride pf5  
1277 AsF5 Arsenic pentafluoride asf5  
1278 PCl5 Phosphorus pentachloride pcl5  
1279 SF5 Sulfur pentafluoride sf5  
1280 SF5+ pentafluoro sulfur cation sf5+  
1281 SbCl5 Antimony pentachloride sbcl5  
1282 BrF5 bromine pentafluoride brf5  
1283 ClF5 chlorinepentafluoride clf5  
1284 IF5 pentafluoroiodine if5  
1285 CF3CHO trifluoroacetaldehyde cf3cho  
1286 CCl3CHO trichloroacetaldehyde ccl3cho  
1287 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1288 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1289 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1290 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1291 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1292 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1293 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1294 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1295 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1296 CF3COOH trifluoroacetic acid cf3cooh  
1297 C4H3ClO Furan, 2-chloro fur2cl  
1298 C4H3ClO Furan,3-chloro fur3cl  
1299 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1300 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1301 C4H8Cl2 1,4-Dichlorobutane c110565  
1302 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1303 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1304 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1305 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1306 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1307 C5H11Cl Pentane, 1-chloro- pencl1  
1308 C4H8O2 Butanoic acid bua  
1309 C6H5CH2 benzyl radical benzyl  
1310 C7H7 cycloheptatrienyl radical c7h7  
1311 C7H7+ cycloheptatrienyl cation c7h7+  
1312 C6H5CH3 toluene toluene  
1313 C7H8 cycloheptatriene cht  
1314 C7H8 Norbornadiene norbor  
1315 C7H8 Quadricyclane qucy  
1316 C7H12 Norbornane nor  
1317 C7H14 cycloheptane c7h14  
1318 C7H16 2-methylhexane 2mhex  
1319 C7H16 3-methylhexane hex3m  
1320 C7H16 heptane heptane  
1321 CH(CN)3 tricyanomethane mecn3  
1322 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1323 C6H7N 2-Methylpyridine mp  
1324 C6H5NH2 aniline aniline  
1325 C6H13N 2-Methylpiperidine pip2m  
1326 C6H13N cyclohexanamine cham  
1327 C6H15N triethylamine tea  
1328 N2O5 Dinitrogen pentoxide n2o5  
1329 C4H2O3 Maleic Anhydride malan  
1330 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1331 C5H4O2 furfural furfural  
1332 C6H5O phenoxy radical phenoxy  
1333 C5H5NO 2(1H)-Pyridinone c72762006  
1334 C5H5NO 2(3H)-Pyridinone c9000048  
1335 C5H5NO 2(5H)-Pyridinone c9000037  
1336 C5H5NO 2-Pyridinol c109104  
1337 C5H5NO 3(2H)-Pyridinone c9000004  
1338 C5H5NO 3(4H)-Pyridinone c9000026  
1339 C5H5NO 3(6H)-Pyridinone c9000015  
1340 C5H5NO 3-Pyridinol c109002  
1341 C5H5NO 4(1H)-Pryidinone c9000060  
1342 C5H5NO 4(3H)-Pryidinone c9000059  
1343 C5H5NO 4-Pyridinol c626642  
1344 C6H5OH phenol phenol  
1345 C6H6O 2,4-Cyclohexadienone c24599573  
1346 C6H6O 2,5-Cyclohexadienone c5664335  
1347 C6H5SH Benzenethiol phsh  
1348 HO2CCHNH2CH2OH Serine serine  
1349 C5H8O2 Acetylacetone acac  
1350 C4H8O2S Sulfolane sulfolane  
1351 C7H10 Norbornene norbornene  
1352 CH(C2H3)3 trivinyl methane tvm  
1353 C6H10O cyclohexanone chexo  
1354 C6H12O hexanal c6h12o  
1355 C6H12O Oxepane oxepane  
1356 C3H7OC3H7 di-n-propyl ether propr  
1357 F2CCCF2 tetrafluoroallene pfa  
1358 CF3COO- trifluoro acetate anion cf3coo-  
1359 CF3COF trifluoroacetyl fluoride cf3cof  
1360 CF3COCl trifluoroacetyl chloride cf3cocl  
1361 PF6 Hexafluorophosphate neutral pf6  
1362 PF6- Hexafluorophosphate ion pf6-  
1363 SF6 Sulfur Hexafluoride sf6  
1364 SeF6 Selenium hexafluoride sef6  
1365 SF5Cl sulfur chloropentafluoride sf5cl  
1366 CF3CHF2 pentafluoroethane cf3chf2  
1367 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1368 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1369 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1370 CCl3CHCl2 pentachloroethane ccl3chcl2  
1371 C6H5F Fluorobenzene bzf  
1372 C6H5Cl chlorobenzene bzcl  
1373 C6H5Br bromobenzene bzbr  
1374 C8H6 Calicene calicene  
1375 C6H5CCH phenylacetylene phac  
1376 C8H6 benzocyclobutadiene bcbd  
1377 C8H6 Pentalene pentalene  
1378 C6H5CHCH2 Styrene styrene  
1379 C8H8 cubane cubane  
1380 C8H8 cyclooctatetraene cot  
1381 C6H5CH2CH3 Ethylbenzene etbz  
1382 CH3C6H4CH3 meta-xylene mxylene  
1383 CH3C6H4CH3 paraxylene pxylene  
1384 C8H14 Bicyclo[2.2.2]octane bico222  
1385 C8H16 cyclooctane cyclooct  
1386 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1387 C8H18 Octane c8h18  
1388 C6H5CN phenyl cyanide phcn  
1389 C6H12N2 Triethylenediamine ted  
1390 C4O4-- squarate dianion c4o4--  
1391 S4N4 Tetrasulfur tetranitride s4n4  
1392 S8 Octasulfur s8  
1393 C6H4O2 parabenzoquinone pbq  
1394 C4H4N2O2 Uracil uracil  
1395 C6H5CHO benzaldehyde benzal  
1396 C6H5OCH3 Anisole anisole  
1397 C5H9NO2 Proline proline  
1398 C6H12O2 Methyl pivalate c598981  
1399 C6H12O2 Hexanoic acid hexa  
1400 C4F4 tetrafluorcyclobutadiene c4f4  
1401 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1402 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1403 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1404 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1405 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1406 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1407 C2Cl6 hexachloroethane c2cl6  
1408 IF7 Iodine heptafluoride if7  
1409 C6H4F2 metadifluorobenzene mdfb  
1410 C6H4F2 orthodifluorobenzene odfb  
1411 C6H4F2 1,4-difluorobenzene pdfb  
1412 C6H4Cl2 1,2-dichlorobenzene dcb12  
1413 C6H4Cl2 1,3-dichlorobenzene dcb13  
1414 C6H4Cl2 1,4-dichlorobenzene dcb14  
1415 C6H5NO nitrosobenzene bzno  
1416 C9H8 Indene indene  
1417 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1418 C9H12 n-propyl benzene prbz  
1419 C9H20 Nonane nonane  
1420 C(CN)4 tetracyanomethane c5n4  
1421 C5H4N4 purine purine  
1422 C8H7N Indole indole  
1423 C3H3N3O3 cyanuric acid cyanuric  
1424 C6H5NO2 Nitrobenzene c6h5no2  
1425 C6H5COOH benzoic acid benzo  
1426 CH3COC6H5 acetophenone acph  
1427 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1428 C3F6 hexafluoropropene c3f6  
1429 C6H3F3 Benzene trifluoride 123 bzf3a  
1430 C8H18O 1-Octanol octanol  
1431 C10H8 Azulene azu  
1432 C10H8 naphthalene naph  
1433 C10H10 bullvalene bullv  
1434 C10H16 adamantane adamantane  
1435 C6N4 Tetracyanoethylene tcne  
1436 C6N4- tetracyanoethylene anion tcne-  
1437 C10H22 Decane decane  
1438 C4F6 perfluorobutadiene c4f6  
1439 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1440 C3F8 perfluoropropane c3f8  
1441 Fe(CO)5 Iron pentacarbonyl ipc  
1442 Fe(C5H5)2 ferrocene fecp2  
1443 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1444 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1445 C12H8 Acenaphthylene acenaph  
1446 C12H8 biphenylene biph  
1447 C12H10 biphenyl biphenyl  
1448 C12H10 Heptalene heptalene  
1449 C6H12O6 Inositol inositol  
1450 C6F6 hexafluorobenzene c6f6  
1451 S2F10 disulphur decafluoride s2f10  
1452 C13H10 Fluorene fluorene  
1453 C14H10 Anthracene anth  
1454 C14H10 Phenanthrene phenanthrene  
1455 C14H14 Bibenzyl bibenzyl  
1456 C12H10N2 azobenzene azobenzene  
1457 C6H5COC6H5 benzophenone benzophenone  
1458 C16H10 Pyrene pyrene  
1459 C18H12 Tetracene tetracene  
1460 C19H16 Triphenylmethane tpm  
1461 C24H12 Coronene coronene  
1462 C60 Buckminsterfullerene c60