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

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 Cu Copper atom 2SKh
4 Cu- Copper atom anion 1SKh
5 Cu+ Copper atom cation 1SKh
6 CuH Copper monohydride 1ΣC∞v
7 Zn Zinc atom 1SKh
8 ZnH Zinc monohydride 2ΣC∞v
9 ZnH2 Zinc hydride 1ΣgD∞h
10 B Boron atom 2PKh
11 Al Aluminum atom 2PKh
12 BH- boron monohydride anion 2ΠC∞v
13 BH2 boron dihydride 2A1C2v
14 AlH2- aluminum dihydride anion 1A1C2v
15 BH3 boron trihydride 1A1'D3h
16 BH3- boron trihydride anion 2A2"D3h
17 BH3+ boron trihydride cation 2B2C2v
18 AlH3 aluminum trihydride 1A1'D3h
19 AlH3- aluminum trihydride anion 2A2"D3h
20 BH4- borohydride anion 1A1Td
21 AlH4- Aluminum tetrahydride anion 1A1Td
22 C Carbon atom 3P0Kh
23 C- Carbon atom anion 4SKh
24 Si Silicon atom 3PKh
25 Si- Silicon atom anion 4SKh
26 Ge Germanium atom 3PKh
27 CH- methylidyne anion 3ΣC∞v
28 CH+ Methylidyne cation 1ΣC∞v
29 SiH Silylidyne 2ΠC∞v
30 SiH- silicon monohydride anion 3ΣC∞v
31 CH2 Methylene 1A1C2v
32 CH2- methylene anion 2B1C2v
33 CH2+ methylene cation 2A1C2v
34 SiH2 silicon dihydride 3B1C2v
35 SiH2- silicon dihydride anion 2B1C2v
36 CH3 Methyl radical 2A1D3h
37 CH3- methyl anion 1A1C3v
38 CH3+ methyl cation 1A1'D3h
39 SiH3 Silyl radical 2A1C3v
40 SiH3- Silyl anion 1A1C3v
41 SiH3+ Silyl cation 1A1'D3h
42 CH4 Methane 1A1Td
43 CH4+ Methane cation 2B2D2d
44 SiH4 Silane 1A1Td
45 GeH4 Germane 1A1Td
46 N- Nitrogen atom anion 3SKh
47 P Phosphorus atom 4SKh
48 P- Phosphorus atom anion 3PKh
49 As Arsenic atomic 4SKh
50 NH Imidogen 1Σ+C∞v
51 NH- Imidogen anion 2ΠC∞v
52 NH+ imidogen cation 2ΠC∞v
53 PH phosphorus monohydride 1ΔC∞v
54 PH- phosphorus monohydride anion 2ΠC∞v
55 PH+ phosphorus monohydride cation 2ΠC∞v
56 AsH Arsenic monohydride 3ΣC∞v
57 ND2 Amidogen-d2 2B1C2v
58 NH2 Amino radical 2B1C2v
59 NH2- amino anion 1A1C2v
60 PH2 Phosphino radical 2B1C2v
61 PH2- Phosphino anion 1A1C2v
62 PH2+ Phosphino cation 1A1C2v
63 AsH2 Arsenic dihydride 2A1C2v
64 ND3 Ammonia-d3 1A1C3v
65 NH3 Ammonia 1A1C3v
66 NH3+ ammonia cation 2A2"D3h
67 PH3 Phosphine 1A1C3v
68 PH3+ Phosphine cation 2A1C3v
69 AsH3 Arsine 1A1C3v
70 AsH3+ Arsine cation 2A1C3v
71 NH4+ ammonium cation 1A1Td
72 PH4+ phosphonium cation   
73 O Oxygen atom 3SKh
74 O- Oxygen atom anion 2PKh
75 O+ Oxygen atom cation 4SKh
76 S Sulfur atom 3PKh
77 S- Sulfur atom anion 2PKh
78 S+ Sulfur atom cation 4SKh
79 Se Selenium atom 3PKh
80 Se- Selenium atom anion 2PKh
81 Se+ Selenium atom cation 4SKh
82 DO Hydroxyl-d 2ΠC∞v
83 OH Hydroxyl radical 2ΠC∞v
84 OH- hydroxide anion 1ΣC∞v
85 OH+ hydoxyl cation 1ΣC∞v
86 DS Mercapto-d 2ΠC∞v
87 HS Mercapto radical 2ΠC∞v
88 HS- mercapto anion 1ΣC∞v
89 HS+ sulfur monohydride cation 3ΣC∞v
90 HSe Selenium monohydride 2ΠC∞v
91 HSe- selenium monohydride anion 1ΣC∞v
92 HSe+ selenium monohydride cation 1ΣC∞v
93 D2O Deuterium oxide 1A1C2v
94 H2O Water 1A1C2v
95 H2O- water anion 2A1C2v
96 H2O+ water cation 2B1C2v
97 HDO Water-d1 1A1C2v
98 D2S Hydrogen sulfide-d2 1A1C2v
99 H2S Hydrogen sulfide 1A1C2v
100 H2S+ Hydrogen sulfide cation 2B1C2v
101 H2Se Hydrogen selenide 1A1C2v
102 H2Se+ Hydrogen selenide cation 2B1C2v
103 H3O+ hydronium cation 1A1C3v
104 H3S+ Sulfonium cation 1A1C3v
105 F Fluorine atom 2PKh
106 F- Fluorine atom anion 1SKh
107 F+ Fluorine atom cation 3SKh
108 Cl Chlorine atom 2PKh
109 Cl- Chlorine atom anion 1SKh
110 Cl+ Chlorine atom cation 3PKh
111 Br Bromine atom 2PKh
112 Br- Bromine atom anion 1SKh
113 Br+ Bromine atom cation 3PKh
114 DF Hydrofluoric acid-d 1ΣC∞v
115 HF Hydrogen fluoride 1ΣC∞v
116 HF- hydrogen fluoride anion 2ΣC∞v
117 HF+ hydrogen fluoride cation 2ΠC∞v
118 DCl Hydrochloric acid-d 1ΣC∞v
119 HCl Hydrogen chloride 1ΣC∞v
120 HCl- hydrogen chloride anion 2ΣC∞v
121 HCl+ hydrogen chloride cation 2ΠC∞v
122 HBr hydrogen bromide 1ΣC∞v
123 HBr- hydrogen bromide anion 2ΣC∞v
124 HBr+ hydrogen bromide cation 2ΠC∞v
125 H2F+ dihydrogen fluoride cation 1A1C2v
126 H2Cl+ dihydrogen monochloride cation 1A1C2v
127 Ne Neon atom 1SKh
128 Ne- Neon atom anion 2SKh
129 Ne+ Neon atom cation 2PKh
130 Ar Argon atom 1SKh
131 Ar- Argon atom anion 2SKh
132 Ar+ Argon atom cation 2PKh
133 NeH+ neon hydrogen cation 1ΣC∞v
134 ArH+ Argon hydride cation 1ΣC∞v
135 Cu2 Copper diatomic 1ΣgD∞h
136 Be2- Beryllium diatomic anion 2ΠuD∞h
137 B2 Boron diatomic 5ΣuD∞h
138 B2- Boron diatomic anion 4ΣgD∞h
139 Al2 Aluminum diatomic 1ΣgD∞h
140 Al2- aluminum diatomic anion 4ΣgD∞h
141 B2H4 Diborane(4) D2d 1A1D2d
142 B2H6 Diborane 1AgD2h
143 BC boron monocarbide 2ΠC∞v
144 BC- boron monocarbide anion 1Σg+C∞v
145 BC+ boron monocarbide cation 1ΣC∞v
146 C2 Carbon diatomic 3ΠuD∞h
147 C2- carbon diatomic anion 2ΣgD∞h
148 C2+ carbon diatomic cation 4ΣgD∞h
149 SiC silicon monocarbide 1ΣC∞v
150 SiC- silicon monocarbide anion 2ΣgC∞v
151 SiC+ silicon monocarbide cation 2ΠC∞v
152 Si2 Silicon diatomic 1ΣgD∞h
153 Si2- silcon diatomic anion 2ΣgD∞h
154 Si2+ silcon diatomic cation 2ΠD∞h
155 C2H Ethynyl radical 2ΣC∞v
156 C2H- Ethynyl anion 1ΣC∞v
157 C2H+ Ethynyl cation 1ΣC∞v
158 ZnCH2 Zinc methylene 1A'Cs
159 C2H2 Acetylene 1ΣgD∞h
160 C2H2+ acetylene cation 2ΠuD∞h
161 CCH2 vinylidene 3B2C2v
162 CH3Li methyl lithium 1A1C3v
163 CuCH3 monomethyl copper 1A1C3v
164 ZnCH3 Zinc monomethyl 2A1C3v
165 C2H3 vinyl 2A'Cs
166 C2H3+ vinyl cation 1A1C2V HCCH2
167 C2H4 Ethylene 1AgD2h
168 C2H4- Ethylene anion 2B2gD2h
169 C2H4+ Ethylene cation 2B3uD2h
170 CH3CH methylmethylene 3A"Cs
171 CH2SiH2 silaethylene 1A1C2v
172 C2H5 Ethyl radical 2A'Cs
173 C2H5+ Ethyl cation 1A1C2v
174 C2H6 Ethane 1A1gD3d
175 CH3SiH3 methyl silane 1A1C3
176 Si2H6 disilane 1EuD3d
177 LiN Lithium Nitride 1ΣC∞v
178 LiN+ Lithium Nitride cation 4ΣC∞v
179 BeN- Beryllium mononitride anion 1ΣC∞v
180 BN- boron nitride anion 2ΣC∞v
181 AlN- aluminum mononitride anion 2ΣC∞v
182 AlN+ aluminum mononitride cation 2ΠC∞v
183 BN boron nitride 1ΣC∞v
184 BN+ boron nitride cation 2ΠC∞v
185 AlN Aluminum nitride 1ΣC∞v
186 CN Cyano radical 2ΣC∞v
187 CN- cyanide anion 1ΣC∞v
188 CN+ Cyano cation 1ΣC∞v
189 CP- carbon monophosphide anion 1ΣC∞v
190 CP+ carbon monophosphide cation 1ΣC∞v
191 SiN Silicon nitride 2ΣC∞v
192 SiN- silicon mononitride anion 1ΣC∞v
193 SiN+ silicon mononitride cation 3ΠC∞v
194 SiP Silicon monophosphide 2ΠC∞v
195 SiP- Silicon monophosphide anion 1ΣC∞v
196 SiP+ Silicon monophosphide cation 1ΣC∞v
197 N2 Nitrogen diatomic 1ΣgD∞h
198 N2- nitrogen diatomic anion 2ΠgD∞h
199 N2+ diatomic nitrogen cation 2ΣgD∞h
200 PN Phosphorus mononitride 1ΣC∞v
201 PN- phosphorus nitride anion 2ΠC∞v
202 PN+ phosphorus nitride cation 2ΠC∞v
203 P2 Phosphorus diatomic 1ΣgD∞h
204 P2- phosphorus diatomic anion 2ΠgD∞h
205 P2+ phosphorus diatomic cation 2ΠUD∞h
206 As2 Arsenic diatomic 1ΣgD∞h
207 HNB hydrogen nitrogen boron 2ΣC∞v
208 HNC hydrogen isocyanide 1ΣC∞v
209 HCN Hydrogen cyanide 1ΣC∞v
210 HCN- Hydrogen cyanide anion 2A'Cs
211 HCN+ hydrogen cyanide cation 2ΠC∞v
212 HCP Phosphaethyne 1ΣC∞v
213 NNH Dinitrogen monohydride 2A'Cs
214 NNH+ Dinitrogen monohydride cation 1ΣC∞v
215 HPO Hydrogen phosphorus oxide 1A'Cs
216 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
217 H2CN+ hydrocyanonium cation 1A1C2v
218 HCNH+ N-protonated HCN 1ΣC∞v
219 N2H2 (E)-diazene 1AgC2h
220 CH2NH Methanimine 1A'Cs
221 CH2PH Phosphaethene 1A'Cs
222 CH2NH2+ methyleneamine cation 1A1C2v
223 N2H4 Hydrazine 1AC2
224 P2H4 Diphosphine 1AC2
225 CH3NH2 methyl amine 1A'Cs
226 CH3PH2 Methyl phosphine 1A'Cs
227 BH3NH3 borane ammonia 1A1C3v
228 CH3NH3+ protonated methylamine 1A1C3v
229 NH3NH3 Ammonia Dimer 1AgC2h
230 LiO lithium oxide 2ΣC∞v
231 LiO- lithium oxide anion 3ΣC∞v
232 LiO+ lithium oxide cation 1ΣC∞v
233 NaO sodium monoxide 2ΣC∞v
234 NaO- sodium oxide anion 1ΣC∞v
235 NaO+ sodium oxide cation 3ΣC∞v
236 CuO Copper Monoxide 2ΠC∞v
237 BeO beryllium oxide 1ΣC∞v
238 BeO- Beryllium monoxide anion 2ΣC∞v
239 BeO+ Beryllium monoxide cation 2ΠC∞v
240 BeS beryllium sulfide 1ΣC∞v
241 MgO magnesium oxide 1Σ+C∞v
242 MgO- magnesium oxide anion 2ΣC∞v
243 MgO+ magnesium oxide cation 2ΠC∞v
244 MgS magnesium sulfide 1ΣC∞v
245 MgS- magnesium sulfide anion 2ΣC∞v
246 MgS+ magnesium sulfide cation 2ΠC∞v
247 ZnO zinc monoxide 1ΣC∞v
248 ZnS Zinc sulfide 1Σ+C∞v
249 BeS- Beryllium monosulfide anion 2ΣC∞v
250 BeS+ Beryllium monosulfide cation 2ΠC∞v
251 BO boron monoxide 2ΣC∞v
252 BO- boron monoxide anion 1ΣC∞v
253 AlO Aluminum monoxide 2ΣC∞v
254 AlO- Aluminum monoxide anion 1ΣC∞v
255 AlO+ aluminum monoxide cation 1ΣC∞v
256 BS boron sulfide 2ΣC∞v
257 BS- boron monosulfide anion 1ΣC∞v
258 BS+ boron monosulfide cation 1ΣC∞v
259 AlS Aluminum sulfide 2ΣC∞v
260 AlS- aluminum monosulfide anion 1ΣC∞v
261 AlS+ aluminum monosulfide cation 1ΣC∞v
262 BO+ boron monoxide cation 1ΣC∞v
263 CO Carbon monoxide 1ΣC∞v
264 CO- carbon monoxide anion 2ΠC∞v
265 CO+ carbon monoxide cation 2ΣC∞v
266 CS carbon monosulfide 1ΣC∞v
267 CS- carbon monosulfide anion 2ΠC∞v
268 CS+ carbon monosulfide cation 2ΣC∞v
269 SiO Silicon monoxide 1ΣC∞v
270 SiO- silicon monoxide anion 2ΠC∞v
271 SiO+ silicon monoxide cation 2ΣC∞v
272 SiS silicon monosulfide 1ΣC∞v
273 SiS- silicon monosulfide anion 2ΠC∞v
274 SiS+ silicon monosulfide cation 2ΣC∞v
275 CSe Carbon monoselenide 1ΣC∞v
276 CSe- Carbon monoselenide anion 2ΠC∞v
277 CSe+ Carbon monoselenide cation 2ΣC∞v
278 GeO Germanium monoxide 1ΣC∞v
279 NO Nitric oxide 2ΠC∞v
280 NO- nitric oxide anion 1ΔC∞v
281 NO+ nitric oxide cation 1ΣC∞v
282 NS- nitrogen sulfide anion 1ΣC∞v
283 NS+ nitrogen sulfide cation 1ΣC∞v
284 PO Phosphorus monoxide 2ΠC∞v
285 PO- phosphorus monoxide anion 3ΣC∞v
286 PO+ phosphorus monoxide cation 1ΣC∞v
287 PS phosphorus sulfide 2ΣC∞v
288 PS- phosphorus monosulfide anion 1ΣC∞v
289 PS+ phosphorus monosulfide cation 1ΣC∞v
290 AsO Arsenic monoxide 2ΠC∞v
291 O2 Oxygen diatomic 3ΣgD∞h
292 O2- oxygen diatomic anion 2ΠD∞h
293 O2+ diatomic oxygen cation 2ΠgD∞h
294 SO Sulfur monoxide 1ΣC∞v
295 SO- sulfur monoxide anion 2ΠC∞v
296 SO+ sulfur monoxide cation 2ΠC∞v
297 S2 Sulfur diatomic 1ΣD∞h
298 S2- sulfur diatomic anion 2ΠD∞h
299 S2+ sulfur diatomic cation 2ΠD∞h
300 SeO Selenium monoxide 1?C∞v
301 SeO- selenium monoxide anion 2ΠC∞v
302 SeO+ selenium monoxide cation 2ΠC∞v
303 SeS Selenium monosulfide 3ΣC∞v
304 SeS- selenium monosulfide anion 2ΠC∞v
305 SeS+ selenium monosulfide cation 2ΠC∞v
306 Se2 Selenium diatomic 1Σg+D∞h
307 Se2- selenium diatomic anion 2ΠD∞h
308 Se2+ selenium diatomic cation 2ΠgD∞h
309 LiOH lithium hydroxide 1ΣC∞v
310 NaOH sodium hydroxide 1ΣC∞v
311 BeOH beryllium monohydroxide 2A'Cs
312 MgOH magnesium hydroxide 2A'Cs
313 HBO Boron hydride oxide 1ΣC∞v
314 HBS hydrogen boron sulfide 1ΣC∞v
315 HCO Formyl radical 2A'Cs
316 HCO- formyl anion 1A'Cs
317 HCO+ Formyl cation 1ΣC∞v
318 HCS Thioformyl radical 2A'Cs
319 HCS- Thioformyl anion 1A'Cs
320 HCS+ Thioformyl cation 1ΣC∞v
321 HNO Nitrosyl hydride 1A'Cs
322 HNO- Nitrosyl hydride anion 2A"Cs
323 HNO+ Nitrosyl hydride cation 2A'Cs
324 HO2 Hydroperoxy radical 2A"Cs
325 HO2- Hydroperoxy anion 1A'Cs
326 HO2+ Hydroperoxy cation 1A'Cs
327 H2CO Formaldehyde 1A1C2v
328 H2CO- formaldehyde anion 2A'Cs
329 H2CO+ formaldehyde cation 2B2C2v
330 H2CS Thioformaldehyde 1A1C2v
331 H2O2 Hydrogen peroxide 1AC2
332 H2S2 Disulfane 1AC2
333 CH2OH Hydroxymethyl radical 2AC1
334 CH2OH+ hydroxymethyl cation 1A'Cs
335 CH3O- methoxy anion 1A1C3v
336 CH3S thiomethoxy 2A'C3v
337 NH2OH hydroxylamine 1A'Cs
338 CH3OH Methyl alcohol 1A'Cs
339 CH3SH Methanethiol 1A'Cs
340 CH3SeH Methane selenol 1A'Cs
341 H2OH2O water dimer 1A'Cs
342 H2ONH3 Water Ammonia Dimer 1A'C1
343 LiF lithium fluoride 1ΣC∞v
344 LiCl lithium chloride 1ΣC∞v
345 LiCl- lithium chloride anion 2ΣC∞v
346 LiCl+ lithium chloride cation 2ΠC∞v
347 NaF sodium fluoride 1ΣC∞v
348 NaF- sodium fluoride anion 2ΣC∞v
349 NaF+ sodium fluoride cation 2ΣC∞v
350 NaCl Sodium Chloride 1ΣC∞v
351 NaCl- sodium chloride anion 2ΣC∞v
352 NaCl+ sodium chloride cation 2ΠC∞v
353 CuF Copper monofluoride 1ΣC∞v
354 LiBr Lithium Bromide 1ΣC∞v
355 LiBr- lithium bromide anion 2ΣC∞v
356 LiBr+ lithium bromide cation 2ΠC∞v
357 CuCl Copper monochloride 1ΣC∞v
358 NaBr Sodium Bromide 1ΣC∞v
359 NaBr- sodium bromide anion 2ΣC∞v
360 NaBr+ sodium bromide cation 2ΠC∞v
361 LiF- lithium fluoride anion 2ΣC∞v
362 LiF+ lithium fluoride cation 2ΠC∞v
363 BeF Beryllium monofluoride 2ΣC∞v
364 BeF- Beryllium monofluoride anion 1ΣC∞v
365 BeF+ Beryllium monofluoride cation 1ΣC∞v
366 BeCl beryllium monochloride 2ΣC∞v
367 MgF Magnesium monofluoride 2ΣC∞v
368 MgF- magnesium fluoride anion 1ΣC∞v
369 MgF+ magnesium fluoride cation 1ΣC∞v
370 MgCl magnesium monochloride 2ΣC∞v
371 MgCl- magnesium monochloride anion 1ΣC∞v
372 MgCl+ magnesium monochloride cation 1ΣC∞v
373 ZnF Zinc monofluoride 2ΣC∞v
374 ZnCl Zinc monochloride 2ΣC∞v
375 BeCl- beryllium monochloride anion 1ΣC∞v
376 BeCl+ beryllium monochloride cation 1ΣC∞v
377 BF Boron monofluoride 1ΣC∞v
378 BF- Boron monofluoride anion 2ΠC∞v
379 BF+ Boron monofluoride cation 2ΣC∞v
380 AlF Aluminum monofluoride 1Σ+C∞v
381 AlF- Aluminum monofluoride anion 2ΠC∞v
382 AlF+ Aluminum monofluoride cation 2ΣC∞v
383 BCl boron monochloride 1ΣC∞v
384 BCl- boron monochloride anion 2ΠC∞v
385 BCl+ boron monochloride cation 2ΣC∞v
386 AlCl- aluminum monochloride anion 2ΠC∞v
387 AlCl+ aluminum monochloride cation 2ΣC∞v
388 CF Fluoromethylidyne 2ΠC∞v
389 CF- carbon monofluoride anion 1ΣC∞v
390 CF+ carbon monofluoride cation 1ΣC∞v
391 CCl carbon monochloride 2ΠC∞v
392 CCl- carbon monochloride anion 3ΣC∞v
393 CCl+ carbon monochloride cation 1ΣC∞v
394 SiF silicon monofluoride 2ΠC∞v
395 SiF- silicon monofluoride anion 3ΣC∞v
396 SiF+ silicon monofluoride cation 1ΣC∞v
397 SiCl Clorosilylidyne 2ΠC∞v
398 SiCl- silicon monochloride anion 3ΣC∞v
399 SiCl+ silicon monochloride cation 1ΣC∞v
400 NF nitrogen fluoride 1ΣC∞v
401 NF- nitrogen monofluorine anion 2ΠC∞v
402 NF+ nitrogen monofluoirde cation 2ΠC∞v
403 NCl nitrogen monochloride 1ΣC∞v
404 NCl- nitrogen monochloride anion 2ΠC∞v
405 NCl+ nitrogen monochloride cation 2ΠC∞v
406 PF phosphorus monofluoride 1ΔC∞v
407 PF- phosphorus monofluoride anion 2ΠC∞v
408 PF+ phosphorus monofluoride cation 2ΠC∞v
409 PCl phosphorus chloride 1ΣC∞v
410 PCl- phosphorus monochloride anion 2ΠC∞v
411 PCl+ phosphorus monochloride cation 2ΠC∞v
412 AsF Arsenic monofluoride 1ΔC∞v
413 FO Oxygen monofluoride 2ΠC∞v
414 FO- flourine oxide anion 1ΣC∞v
415 FO+ fluorine monoxide cation 3ΣC∞v
416 ClO Monochlorine monoxide 2ΠC∞v
417 ClO- chlorine monoxide anion 1ΣC∞v
418 ClO+ chlorine monoxide cation 1ΣC∞v
419 SF Monosulfur monofluoride 2ΠC∞v
420 SF- sulfur monofluoride anion 1ΣC∞v
421 SF+ sulfur monofluoride cation 1ΣC∞v
422 SCl sulfur monochloride 2ΠC∞v
423 SCl- sulfur monochloride anion 1ΣC∞v
424 SCl+ sulfur monochloride cation 1ΣC∞v
425 BrO Bromine monoxide 2ΠC∞v
426 BrCl Bromine monochloride 1ΣC∞v
427 F2 Fluorine diatomic 1ΣgD∞h
428 F2- flourine diatomic anion 2ΣuD∞h
429 F2+ flourine diatomic cation 2ΠgD∞h
430 ClF Chlorine monofluoride 1Σ+C∞v
431 ClF+ clorine monofluoride cation 2ΠC∞v
432 Cl2 Chlorine diatomic 1ΣgD∞h
433 Cl2- chlorine diatomic anion 2ΣuD∞h
434 Cl2+ chlorine diatomic cation 2ΠgD∞h
435 BrF Bromine monofluoride 1ΣC∞v
436 BrF- bromine fluoride anion 2ΣC∞v
437 BrF+ bromine fluoride cation 2ΠC∞v
438 BrCl- bromine chloride anion 2ΣC∞v
439 BrCl+ bromine chloride cation 2ΠC∞v
440 Br2 Bromine diatomic 1ΣgD∞h
441 Br2- bromine diatomic anion 2ΣuD∞h
442 Br2+ bromine diatomic cation 2ΠgD∞h
443 HCF Fluoromethylene 3A"Cs
444 HOF Hypofluorous acid 1A'Cs
445 DOCl Hypochlorous acid-d 1A'Cs
446 HOCl hypochlorous acid 1A'Cs
447 HOBr Hypobromous acid 1A'Cs
448 CH2F fluoromethyl radical 2ACs
449 NH2F monofluoroamine 1A'Cs
450 NH2Cl chloramine 1A'Cs
451 CH3F Methyl fluoride 1A1C3v
452 CH3Cl Methyl chloride 1A1C3v
453 SiH3F monofluorosilane 1A1C3v
454 SiH3Cl chlorosilane 1A1C1
455 CH3Br methyl bromide 1A1C3v
456 C3 carbon trimer 1ΣgD∞h
457 C3+ carbon trimer cation 2ΣuD∞h
458 C3H3 Propargyl radical 2B1Cs
459 C3H3- Propargyl anion 1A'Cs
460 C3H3+ cyclopropenyl cation 1A1D3h
461 C3H3+ Propargyl cation 1A1C2v
462 CH2CCH2 allene 1A1D2d
463 CH3CCH propyne 1A'C3v
464 Zn(CH3)2 dimethyl zinc 1A1'D3h
465 C3H6 Cyclopropane 1A1'D3h
466 CH2CHCH3 Propene 1A'Cs
467 C3H7 n-Propyl radical 2A"C1
468 C3H8 Propane 1A1C2v
469 SiH2(CH3)2 dimethylsilane 1A1C2v
470 N3 azide radical 2ΠgD∞h
471 N3- azide anion 1ΣGD∞h
472 HN3 hydrogen azide 1A'Cs
473 HNCNH diiminomethane 1AC2
474 CH2N2 diazirine 1A1C2v
475 CH2NN diazomethane 1A1C2v
476 NH2CN cyanamide 1A1C2v
477 CH3CN Acetonitrile 1A1C3v
478 CH3CN- acetonitrile anion 2EC3v
479 CH3NC methyl isocyanide 1A1C3v
480 NHCHNH2 aminomethanimine 1AC1
481 C2H5N Aziridine 1A'C1
482 CH2CHNH2 aminoethene 1AC1
483 CH2NCH3 N-methylmethanimine 1A'Cs
484 CH3CHNH ethanimine 1A'CS NH up
485 CH3CH2NH2 Ethylamine 1A'Cs
486 CH3NHCH3 Dimethylamine 1A'Cs
487 Li2O dilithium oxide 1ΣgD∞h
488 Na2O disodium monoxide 1A1C2v
489 CNO- fulminate 1ΣC∞v
490 NCO isocyanato radical 2ΠC∞v
491 NCO- cyanate 1ΣC∞v
492 SCN thiocyanato radical 2ΠC∞v
493 SCN- thiocyanide anion 1ΣC∞v
494 BO2 Boron dioxide 2A'D∞h
495 BO2- Boron dioxide anion 1ΣgD∞h
496 N2O Nitrous oxide 1ΣC∞v
497 N2O+ Nitrous oxide cation 2ΠC∞v
498 CO2 Carbon dioxide 1ΣgD∞h
499 CO2- Carbon dioxide anion 2A1C2v
500 CO2+ Carbon dioxide cation 2ΠgD∞h
501 OCS Carbonyl sulfide 1ΣC∞v
502 OCS+ Carbonyl sulfide cation 2ΠC∞v
503 SiO2 silicon dioxide 1ΣgD∞h
504 CS2 Carbon disulfide 1ΣgD∞h
505 CS2+ Carbon disulfide cation 2ΠD∞h
506 TiO2 Titanium dioxide 1A1C2v
507 GeO2 Germanium dioxide 1ΣgD∞h
508 OCSe Carbonyl selenide 1ΣC∞v
509 NO2 Nitrogen dioxide 2A1C2v
510 NO2- Nitrogen dioxide anion 1A1C2v
511 NO2+ Nitrogen dioxide cation 1ΣGD∞h
512 PO2 Phosphorus dioxide 2A1C2v
513 PO2- Phosphorus dioxide anion 1A1C2v
514 PO2+ Phosphorus dioxide cation 1ΣGD∞h
515 O3 Ozone 1A1Cs
516 O3- Ozone anion 2B1C2v
517 O3+ Ozone cation 2A1C2v
518 SO2 Sulfur dioxide 1A1C2v
519 SO2- Sulfur dioxide anion 2B1C2v
520 SO2+ Sulfur dioxide cation 2A1C2v
521 SSO Disulfur monoxide 1A'Cs
522 S3 Sulfur trimer 1A1C2v
523 SeO2 Selenium dioxide 1A1C2v
524 HCCO ketenyl radical 2ΠC∞v
525 HCNO fulminic acid 1ΣC∞v
526 HNCO Isocyanic acid 1A'Cs
527 HOCN cyanic acid 1A'Cs
528 HCO2- formate anion 1A1C2v
529 HOCO Hydrocarboxyl radical 1A'trans
530 HOCO+ Hydrocarboxyl cation 1A'Cs
531 HNO2 Nitrous acid 1A'Cs
532 HNO2+ nitrous acid cation 2A'Cs
533 C2H2O Oxirene 1A1C2v
534 CH2CO Ketene 1A1C2v
535 CH2CO+ Ketene cation 2B1C2v
536 HCCOH ethynol 1A'Cs
537 CH2O2 Dioxirane 1A1C2v
538 HCOOH Formic acid 1A'Cs
539 CH3CO Acetyl radical 2A'Cs
540 CH3CO+ acetyl cation 1A1C3v
541 CHONH2 formamide 1ANon-Planar
542 CH3OO methylperoxy radical 2A"Cs
543 CH3OO- methylperoxy anion 1A'Cs
544 CH3OO+ methylperoxy cation 1A'Cs
545 C2H4O Ethylene oxide 1A1C2v
546 CH2CHOH ethenol 1A'Cs
547 CH3CHO Acetaldehyde 1A'Cs
548 C2H4S Thiirane 1A1C2v
549 CH3CHS Thioacetaldehyde 1A'C1
550 CH3OOH Methyl peroxide 1AC1
551 H2OH2CO water formaldehyde dimer 1AC1
552 CH3CH2OH Ethanol 1A'Cs
553 CH3OCH3 Dimethyl ether 1A1C2v
554 CH3CH2SH ethanethiol 1A'Cs
555 CH3SCH3 Dimethyl sulfide 1A1C2v
556 CH3OHH2O methanol water dimer 1A'C1
557 H2OCH3OH water methanol dimer 1AC1
558 ZnF2 Zinc difluoride 1ΣGD∞h
559 FCN Cyanogen fluoride 1ΣC∞v
560 ClCN chlorocyanogen 1ΣC∞v
561 BrCN Cyanogen bromide 1ΣC∞v
562 MgCl2 Magnesium dichloride 1ΣgC2v
563 ZnCl2 Zinc dichloride 1ΣGD∞h
564 FNO Nitrosyl fluoride 1A'Cs
565 ClNO Nitrosyl chloride 1A'Cs
566 CF2 Difluoromethylene 3B1C2v
567 CF2- Difluoromethylene anion 2B1C2v
568 CF2+ Difluoromethylene cation 2A1C2v
569 CCl2 dichloromethylene 1A1C2v
570 CCl2- dichloromethylene anion 2B1C2v
571 CCl2+ dichloromethylene cation 2A1C2v
572 SiCl2 Dichlorosilylene 1A1C2v
573 FOO Dioxygen monofluoride radical 2A"Cs
574 ClOO chloroperoxy radical 2A"Cs
575 ClOO+ chloroperoxy cation 1A'Cs
576 OClO Chlorine dioxide 2B1D∞h
577 OClO+ Chlorine dioxide cation 1A1C2v
578 ClS2 Sulfur chloride 2A"Cs
579 NF2 Difluoroamino radical 2B1C2v
580 NF2+ Difluoroamino cation 1A1C2v
581 F2O Difluorine monoxide 1A1C2v
582 SF2 sulfur difluoride 1A1C2v
583 SF2+ sulfur difluoride cation 2B1C2v
584 Cl2O Dichlorine monoxide 1A1C2v
585 SCl2 Sulfur dichloride 1A1C2v
586 HCCF Fluoroacetylene 1ΣC∞v
587 HFCO formyl fluoride 1A'Cs
588 COHCl Formyl chloride 1A'Cs
589 COHBr Formyl bromide 1A'Cs
590 BHF2 Difluoroborane 1A1C2v
591 BHCl2 Borane, dichloro- 1A1C2v
592 CH2F2 Methane, difluoro- 1A1C2v
593 CH2FCl fluorochloromethane 1A'Cs
594 CH2Cl2 Methylene chloride 1A1C2v
595 CH2Br2 dibromomethane 1A1C2v
596 SiH2Cl2 dichlorosilane 1A1C2v
597 CH2CHF Ethene, fluoro- 1A'Cs
598 C2H3Cl Ethene, chloro- 1A'Cs
599 C2H3Br vinyl bromide 1A'Cs
600 C2H5F fluoroethane 1A'Cs
601 CH3CH2Cl Ethyl chloride 1A'Cs
602 C2H5Br Ethyl bromide 1A'Cs
603 C4 Carbon tetramer 3ΣgD∞h
604 C4+ Carbon tetramer cation 2ΠgD∞h
605 C4H2 Diacetylene 1ΣgD∞h
606 C4H2+ diacetlyene cation 2ΠgD∞h
607 C2H3CCH 1-Buten-3-yne 1A'C1
608 H2CCCCH2 Butatriene 1AgD2h
609 C4H6 1-Methylcyclopropene 1AC1
610 C4H6 Cyclobutene 1A1C2v
611 C4H6 Methylenecyclopropane 1A1C2v
612 CH2CCHCH3 1,2-Butadiene 1A'C1
613 CH2CHCHCH2 1,3-Butadiene 1AgC2h
614 CH3CCCH3 2-Butyne 1A1'D3h
615 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
616 CH2CHCH2CH3 1-Butene 1AC1
617 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
618 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
619 C(CH3)3 Tert-butyl radical 2A"C3v
620 CH2CH(CH3)2 Isobutyl radical 2A'C1
621 CH3CHCH2CH3 2-Butyl radical 1AC1
622 CH3CH(CH3)CH3 Isobutane 1A1C3v
623 CH3CH2CH2CH3 Butane 1AGauche
624 C2N2 Cyanogen 1ΣgD∞h
625 C2N2+ Cyanogen cation 2ΠgD∞h
626 P4 Phosphorus tetramer 1A1Td
627 HCCCN Cyanoacetylene 1ΣC∞v
628 HCCCN+ Cyanoacetylene cation 2ΠC∞v
629 C3H3N acrylonitrile 1A'Cs
630 C3H3N+ acrylonitrile cation 2A"Cs
631 C3H7N Cyclopropylamine 1A'C1
632 C4H8 cyclobutane 1A1D2d
633 C2H8N2 Ethylenediamine 1AgC2h
634 CH3NHNHCH3 dimethyl hydrazine 1AC2
635 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
636 N(CH3)3 Trimethylamine 1A1C3v
637 As(CH3)3 trimethyl arsine 1A1C3v
638 B2O2 Diboron dioxide 1ΣgD∞h
639 CO3-- carbonate 1A1'D3h
640 NO3+ nitrogen trioxide cation 1A1'D3h
641 SO3 Sulfur trioxide 1A1'D3h
642 SO3- Sulfur trioxide anion 2A2"planar
643 SO3+ Sulfur trioxide cation 2A2'D3h
644 HCO3- bicarbonate anion   
645 HNO3 Nitric acid 1A'Cs
646 C2H2O2 Ethanedial 1AgC2h
647 CH3COO- acetate anion 1A'eclipsed
648 CH3NO2 Methane, nitro- 1A'Cs
649 CH3ONO Methyl nitrite 1A'C1
650 H3BO3 Boric acid 1A'C3h
651 C3H4O 2-Propyn-1-ol 1A'Cs
652 C3H4O allenol 1A'Cs
653 C3H4O Cyclopropanone 1A1C2v
654 C3H4O Methylketene 1A'Cs
655 CH2CHCHO Acrolein 1A'Cs
656 NH2CONH2 Urea 1AC2
657 NH2CSNH2 Thiourea 1AC2
658 C2H4O2 1,3-dioxetane 1AgD2h
659 CH3COOH Acetic acid 1A'Cs
660 CH3OCHO methyl formate 1A'Cs
661 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
662 H2OHCOOH Water formic acid dimer 1 1AC1
663 H2OHCOOH Water formic acid dimer 2 1AC1
664 HCOOHH2O Formic acid water dimer 1AC1
665 CH3CHNOH Acetaldoxime 1A'CS trans
666 CH3CONH2 Acetamide 1A'C1
667 C3H6O Propylene oxide 1AC1
668 CH3CH2CHO Propanal 1A'Cs
669 CH3COCH3 Acetone 1A1C2v
670 C3H6S Thietane 1A'Cs
671 C3H6S Thiirane, methyl- 1AC1
672 C2H6O2 1,2-Ethanediol 1AgC2h
673 CH3OOCH3 dimethylperoxide 1AgC2h
674 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
675 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
676 CH3SSCH3 Disulfide, dimethyl 1AC2
677 C3H7OH 1-Propanol 1A'Cs
678 CH3CHOHCH3 Isopropyl alcohol 1AC1
679 CH3OC2H5 Ethane, methoxy- 1A'Cs
680 C3H7SH 1-Propanethiol 1A'Cs
681 CH3CHSHCH3 2-Propanethiol 1A'Cs
682 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
683 H2OCH3OCH3 water dimethylether dimer 1AC1
684 Na2Cl2 Disodium dichloride 1AgC2h
685 C2F2 difluoroacetylene 1ΣgD∞h
686 C2Cl2 dichloroacetylene 1ΣgC2h
687 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
688 ClNO2 Nitryl chloride 1A1C2v
689 N2F2 (Z)-Difluorodiazene 1A1C2v
690 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
691 CF2O Carbonic difluoride 1A1C2v
692 COFCl Carbonic chloride fluoride 1A'Cs
693 CCl2O Phosgene 1A1C2v
694 COBr2 Carbonic dibromide 1A1C2v
695 BF3 Borane, trifluoro- 1A'D3h
696 BF3- Borane, trifluoro- anion 2A1C3v
697 BF3+ boron trifluoride cation 2A2'D3h
698 AlF3 Aluminum trifluoride 1A1'D3h
699 AlF2Cl Aluminum chloride difluoride 1A1C2v
700 AlFCl2 Aluminum dichloride fluoride 1A1C2v
701 BCl3 Borane, trichloro- 1A1'D3h
702 AlCl3 Aluminum trichloride 1A1'D3h
703 ClO3- chlorate anion 1A1C3v
704 CF3 Trifluoromethyl radical 2A1C3v
705 CF3- Trifluoromethyl anion 1A1C3v
706 CF3+ Trifluoromethyl cation 1A1'D3h
707 CCl3 Trichloromethyl radical 2A1C3
708 CCl3- Trichloromethyl anion 1A1C3v
709 CCl3+ Trichloromethyl cation 1A1'D3h
710 SiCl3 trichlorosilyl radical 2A1C3v
711 SiCl3+ trichlorosilyl cation 1A1'D3h
712 FSSF Difluorodisulfane 1AC2
713 S2F2 Thio-thionyl fluoride 1A'Cs
714 SOCl2 thionyl chloride 1A'Cs
715 SeOCl2 selenium oxychloride 1A'Cs
716 NF3 Nitrogen trifluoride 1A1C3v
717 NF3- Nitrogen trifluoride anion 2ACs
718 NF3+ Nitrogen trifluoride cation 2A1C3v
719 PF3 Phosphorus trifluoride 1A1C3v
720 NCl3 nitrogen trichloride 1A1C3v
721 AsF3 Arsenic trifluoride 1A1C3v
722 PCl3 Phosphorus trichloride 1A1C3v
723 ClSSCl Disulfur dichloride 1AC2
724 BrF3 Bromine trifluoride 1A1C2v
725 CHF3 Methane, trifluoro- 1A1C3v
726 CHF2Cl difluorochloromethane 1A'Cs
727 CHFCl2 fluorodichloromethane 1A'Cs
728 CHCl3 Chloroform 1A1C3v
729 SiHCl3 Trichlorosilane 1A1C3v
730 CHBrCl2 Methane, bromodichloro- 1A'Cs
731 CHClBr2 Methane, dibromochloro- 1A'Cs
732 CHBr3 bromoform 1A1C3v
733 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
734 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
735 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
736 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
737 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
738 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
739 CH3COF Acetyl fluoride 1A'NULL
740 CH3COCl Acetyl Chloride 1A'Cs
741 C2H4F2 1,2-difluoroethane 1AC2 gauche
742 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
743 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
744 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
745 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
746 C3H5Cl 1-Propene, 3-chloro- 1AC1
747 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
748 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
749 CH2ClCH2CH3 Propane, 1-chloro- 1Agauche
750 C5H5- cylopentadienyl anion 1A1'D5h
751 C5H6 1,3-Cyclopentadiene 1A1C2v
752 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
753 C5H6 3-Penten-1-yne, (E)- 1A'Cs
754 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
755 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
756 C5H6 Cyclopropylacetylene 1A'C1
757 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
758 C5H8 1,2-Pentadiene 1A'C1
759 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
760 C5H8 1,3-Pentadiene, (E)- 1A'C1
761 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
762 C5H8 1,4-Pentadiene 1AC2
763 C5H8 2,3-Pentadiene 1AC1
764 C5H8 Cyclobutane, methylene- 1A'Cs
765 C5H8 Cyclopentene 1A'Cs
766 C5H10 1-Butene, 2-methyl- 1AC1
767 C5H10 2-Butene, 2-methyl- 1A'Cs
768 C5H10 2-Pentene, (E)- 1A'Cs
769 C5H10 2-Pentene, (Z)- 1AC1
770 C5H10 Cyclopentane 1AC1
771 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
772 CH2CHCH2CH2CH3 1-pentene 1AC1
773 C5H11 2-Methylbut-2-yl radical 1AC1
774 C5H12 Butane, 2-methyl- 1AC1
775 C5H12 Pentane 1A1C2v
776 C5H12 Propane, 2,2-dimethyl- 1A1Td
777 Si(CH3)4 tetramethylsilane 1A1Td
778 N2O3 Dinitrogen trioxide 1A'Cs
779 C3H2N2 Malononitrile 1A1Cs
780 C3H4N2 1H-Imidazole 1A'Cs
781 C3H4N2 1H-Pyrazole 1A'Cs
782 C3H4N2 4H-Imidazole 1A'Cs
783 C4H5N (E)-2-Butenenitrile 1A'Cs
784 C4H5N (Z)-2-Butenenitrile 1A'Cs
785 C4H5N Cyclopropanecarbonitrile 1A'Cs
786 C4H5N Pyrrole 1A1C2v
787 C3H6N2 3-Aminopropionitrile 1A'Cs
788 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
789 C5H8 Spiropentane 1A1D2d
790 C4H9N Cyclobutylamine 1A'Cs
791 C4H9N Pyrrolidine 1A'Cs
792 C3H10N2 1,2-Diaminopropane 1AC1
793 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
794 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
795 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
796 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
797 C3O2 Carbon suboxide 1ΣGD∞h
798 C3O2+ Carbon suboxide cation 2ΠUD∞h
799 PO4--- phosphate 1A1Td
800 SO4-- sulfate 1A1Td
801 H2SO4 Sulfuric acid 1AC1
802 C3H3NO Isoxazole 1A'Cs
803 CH3NO3 Methyl nitrate 1A'Cs
804 C4H4O Furan 1A1C2
805 C4H4S Thiophene 1A1C2v
806 C3H4O2 β–Propiolactone 1A'Cs
807 C3H4O2 2-Propenoic acid 1A'Cs
808 C3H4O2 propanedial 1AC1
809 C3H4O2 propenalol 1A'Cs
810 HOCH2COOH Hydroxyacetic acid 1ACs
811 CH2CHCONH2 Acrylamide 1ACs
812 CH3OCH2CN Methoxyacetonitrile 1A'Cs
813 CH5N3S Hydrazinecarbothioamide 1AC1
814 H2NCH2COOH Glycine 1A'Cs
815 C4H6O cis-2-butenal 1ACs
816 C4H6O Cyclobutanone 1A1C2v
817 C4H6O Furan, 2,3-dihydro- 1AC1
818 C4H6O Furan, 2,5-dihydro- 1A1Cs
819 CH2CHOCHCH2 Vinyl ether 1A1C2v
820 CHOCHCHCH3 2-Butenal 1A'Cs
821 C4H6S Thiophene, 2,3-dihydro- 1AC1
822 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
823 CH2CHSCHCH2 Divinyl sulfide 1AC2v
824 C2H6N2O Urea, methyl- 1AC1
825 C3H6O2 1,3-Dioxolane 1AC2
826 CH3COOCH3 methyl acetate 1A'Cs
827 C2H6O2S Dimethyl sulfone 1A1C2v
828 CH3SSSCH3 dimethyl trisulfide 1AC2
829 C3H7NO dimethylformamide 1A'Cs
830 C3H7NO Propanamide 1A'C1
831 C2H3OC2H5 Ethene, ethoxy- 1AC1
832 C4H8O Cyclobutanol 1A'C1
833 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
834 CH3COCH2CH3 2-Butanone 1A'Cs
835 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
836 CHOCH2CH2CH3 Butanal 1A'Cs
837 C4H8S Thiophene, tetrahydro- 1AC1
838 C3H8O2 1,3-Propanediol 1A1C1
839 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
840 C3H8O2 Methane, dimethoxy- 1A1C2v
841 C3H8O2 Propylene glycol 1AC1
842 C3H8S2 1,3-Propanedithiol 1A1C1
843 C4H10O 1-Propanol, 2-methyl- 1AC1
844 C4H10O 2-Butanol, (.+/-.)- 1AC1
845 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
846 C4H10O Ethoxy ethane 1A1C2v
847 C4H10O Propane, 2-methoxy- 1A'Cs
848 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
849 C2H5SC2H5 Diethyl sulfide 1A1C2v
850 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1AC1
851 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
852 CH3CH(SH)CH2CH3 2-Butanethiol 1AC1
853 FNO3 Fluorine nitrate 1A'Cs
854 TiCl4 Titanium tetrachloride 1A1Td
855 ClO4- perchlorate anion 1A1Td
856 BF4- tetrafluoroboron anion 1A1Td
857 ClFO3 Perchloryl fluoride 1A1Cs
858 SO2Cl2 Sulfuryl chloride 1A1C2v
859 F3NO Nitrogen trifluoride oxide 1A1C3v
860 F3PO Phosphoryl fluoride 1A1C3v
861 Cl3PO Phosphoryl chloride 1A1C3v
862 CF4 Carbon tetrafluoride 1A1Td
863 CF3Cl Methane, chlorotrifluoro- 1A1C3v
864 SiF4 Silicon tetrafluoride 1A1Td
865 CF2Cl2 difluorodichloromethane 1A1C2v
866 CFCl3 Trichloromonofluoromethane 1A1C3v
867 CF3Br Bromotrifluoromethane 1A1C3v
868 CCl4 Carbon tetrachloride 1A1Td
869 SiCl4 Silane, tetrachloro- 1A1Td
870 CBr4 Carbon tetrabromide 1A1Td
871 SF4 Sulfur tetrafluoride 1A1C2v
872 C2HF3 Trifluoroethylene 1A'Cs
873 C2HF3+ Trifluoroethylene cation 2A"Cs
874 CHClCCl2 Trichloroethylene 1A'Cs
875 HSO3F Fluorosulfonic acid 1AC1
876 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
877 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
878 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
879 C3H5ClO Oxirane, (chloromethyl)- 1AC1
880 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
881 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
882 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
883 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
884 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
885 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
886 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
887 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
888 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
889 CH2ClCH2CH2CH3 Butane, 1-chloro- 1A'Cs
890 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
891 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
892 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
893 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
894 C6H4 Benzyne 1A1C2v
895 C6H5 phenyl 2A1C2v
896 C6H6 Benzene 1A1gD6h
897 C6H8 (E)-hexa-1,3,5-triene 1AgCs
898 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
899 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
900 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
901 C6H8 1,4-Cyclohexadiene 1AgC2v
902 C6H8 3-Methylenecyclopentene 1AC1
903 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
904 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
905 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
906 C6H10 1,3-Hexadiene, (E)- 1A'Cs
907 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
908 C6H10 1,4-Hexadiene, (E)- 1AC1
909 C6H10 1,4-Hexadiene, (Z)- 1AC1
910 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
911 C6H10 1-Hexyne 1A'Cs
912 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
913 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
914 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
915 C6H10 2-Hexyne 1A'C1
916 C6H10 3-Hexyne 1A1C2v
917 C6H10 cyclohexene 1AC2
918 C6H10 Cyclopentene, 1-methyl- 1AC1
919 C6H10 Cyclopentene, 3-methyl- 1AC1
920 C6H10 Cyclopentene, 4-methyl- 1AC1
921 C4H6(CH3)2 1,1-dimethylcyclobutane 1A'Cs
922 C6H12 (E)-3-methylpent-2-ene 1AC1
923 C6H12 (Z)-3-methylpent-2-ene 1AC1
924 C6H12 3-methylenepentane 1AC1
925 C6H12 Cyclohexane 1Atwist boat
926 C6H12 Cyclopentane, methyl- 1AC1
927 C6H12 Ethylcyclobutane 1AC1
928 C6H12 hex-1-ene 1A'Cs
929 C6H14 Butane, 2,2-dimethyl- 1A'C1
930 C6H14 Butane, 2,3-dimethyl- 1AgC2h
931 C6H14 Hexane 1AgC2h
932 C6H14 Pentane, 2-methyl- 1AC1
933 C6H14 Pentane, 3-methyl- 1A'Cs
934 C4N2 2-Butynedinitrile 1ΣgD∞h
935 C2H2N4 sym-tetrazine 1AgD2h
936 C3H3N3 1,3,5-Triazine 1A1'D3h
937 CH3N5 5-Aminotetrazole 1AC1
938 C4H4N2 1,3-Diazine 1A1C2v
939 C4H4N2 Pyrazine 1AgD2h
940 C4H4N2 Pyridazine 1A1C2v
941 C4H4N2 Succinonitrile 1AgC2h
942 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
943 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
944 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
945 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
946 C5H5N Pyridine 1A1C2v
947 B3N3H6 borazine 1A1'D3h
948 C6H6 Fulvene 1A1C2v
949 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
950 C5H7N (E)-2-Pentenenitrile 1A'Cs
951 C5H7N (E)-3-Pentenenitrile 1AC1
952 C5H7N (Z)-2-Pentenenitrile 1AC1
953 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
954 C5H7N Cyclobutanecarbonitrile 1A'Cs
955 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
956 C5H9N Butanenitrile, 2-methyl- 1AC1
957 C5H9N Pentanenitrile 1A'Cs
958 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
959 C5H11N Cyclopentanamine 1A'Cs
960 C5H11N Piperidine 1A'NH axial
961 C4H12N2 1,2-Butanediamine 1AC1
962 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
963 C2O4-- oxalate anion 1A1D2d
964 N2O4 Dinitrogen tetroxide 1AgD2d
965 C2H3NO3 Oxamic acid 1A'H in
966 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
967 C2H4N2O2 Oxalamide 1AgC2h
968 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
969 C3H4S3 1,3-Dithiolane-2-thione 1AC1
970 C4H5NO 3-Methylisoxazole 1AC1
971 C4H5NO Isoxazole, 5-methyl- 1AC1
972 C4H5NS 4-Methylthiazole 1AC1
973 C5H6S Thiophene, 2-methyl- 1A'Cs
974 C5H6S Thiophene, 3-methyl- 1A'Cs
975 C4H6O2 2,3-Butanedione 1AgC2h
976 C4H6O2 2-Propenoic acid, methyl ester 1AC1
977 C4H6OS 2,3-dihydrothiophene-2-ol 1AC1
978 C4H6OS 2,5-dihydrothiophene-3-ol 1AC1
979 C4H6OS 4,5-dihydrothiophene-2-ol 1AC1
980 C4H6OS 4,5-dihydrothiophene-3-ol 1AC1
981 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
982 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
983 C4H6OS Vinyl sulfoxide 1A'Cs
984 CH6N4S Carbonothioic dihydrazide 1AC2
985 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
986 C2H6N2O2 Dimethylnitroamine 1AC1
987 C3H6O3 1,3,5-Trioxane 1A1C1
988 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
989 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
990 C4H7NO 2-Pyrrolidinone 1AC1
991 C4H7NO Methacrylamide 1AC1
992 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
993 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
994 CH3CH(NH2)COOH Alanine 1AC1
995 CH3NHCH2COOH Sarcosine 1AC1
996 NH2CH2CH2COOH β–alanine 1AC1
997 NH2COOC2H5 Urethane 1AC1
998 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
999 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
1000 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
1001 NH2CONHC2H5 Urea, ethyl- 1AC1
1002 C4H8O2 1,3-Dioxane 1A'Cs
1003 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
1004 C4H8O2 1,4-Dioxane 1AgC2h
1005 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
1006 C4H8OS s-Ethyl thioacetate 1AC1
1007 C3H8O3 1,2,3-Propanetriol 1AC1
1008 C3H8O2S (Methylsulfonyl)ethane 1AC1
1009 C4H9NO Butanamide 1AC1
1010 C4H9NO Propanamide, 2-methyl- 1AC1
1011 C5H10O 2-Butanone, 3-methyl- 1AC1
1012 C5H10O 2H-Pyran, tetrahydro- 1A'C1
1013 C5H10O 2-Pentanone 1A'Cs
1014 C5H10O 3-Pentanone 1A1C2v
1015 C5H10O Cyclopentanol 1AC1
1016 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
1017 C5H10O Pentanal 1A'C1
1018 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
1019 C5H10S 3-Ethylthio-1-propene 1A'C1
1020 C5H10S Cyclopentanethiol 1AC1
1021 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
1022 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
1023 C4H10O2 1,1-Dimethoxyethane 1A'Cs
1024 C4H10O2 1,3-Butanediol 1AC1
1025 C4H10O2 1,4-Butanediol 1AgC2h
1026 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
1027 C4H10OS Diethyl sulfoxide 1AC1
1028 C4H10S2 1,4-Butanedithiol 1AgC2h
1029 C4H11NO Diethylhydroxylamine 1A'Cs
1030 C5H12O 1-Butanol, 2-methyl- 1AC1
1031 C5H12O 1-Butanol, 3-methyl- 1A'Cs
1032 C5H12O 1-Pentanol 1A'Cs
1033 C5H12O 2-Butanol, 3-methyl- 1AC1
1034 C5H12O 2-Pentanol 1AC1
1035 C5H12O 3-Pentanol 1AC1
1036 C5H12O Butane, 1-methoxy- 1A'Cs
1037 C5H12O Propane, 1-ethoxy- 1A'Cs
1038 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
1039 C5H12S 1-Butanethiol, 2-methyl- 1AC1
1040 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
1041 C5H12S 1-Pentanethiol 1A'C1
1042 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
1043 C5H12S 2-Butanethiol, 3-methyl- 1AC1
1044 C5H12S Butane, 1-(methylthio)- 1A'Cs
1045 C5H12S Ethyl propyl sulfide 1A'Cs
1046 C5H12S Propane, 2-(ethylthio)- 1A'C1
1047 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
1048 CF3CN Acetonitrile, trifluoro- 1A1C3v
1049 B2F4 Diboron tetrafluoride 1AGD2h
1050 B2Cl4 Diboron tetrachloride 1A1D2
1051 C2F4 Tetrafluoroethylene 1AgD2h
1052 C2Cl4 Tetrachloroethylene 1AgD2h
1053 CF3OF Trifluoromethylhypofluorite 1A'Cs
1054 PF5 Phosphorus pentafluoride 1A1'D3h
1055 AsF5 Arsenic pentafluoride 1A1'D3h
1056 PCl5 Phosphorus pentachloride 1A1'C4v
1057 BrF5 bromine pentafluoride 1A1C4v
1058 ClF5 chlorinepentafluoride 1A1C4v
1059 CF3CH2F 1,1,1,2-tetrafluoroethane 1A'Cs
1060 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
1061 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
1062 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
1063 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
1064 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
1065 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
1066 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
1067 C5H11Cl Pentane, 1-chloro- 1A'Cs
1068 C6H5CH2 benzyl radical 2B1Cs
1069 C6H5CH3 toluene 1A'Cs
1070 C7H8 Norbornadiene 1A1C2v
1071 C7H12 Norbornane 1A1C2v
1072 C7H16 heptane 1A1C2v
1073 C6H5NH2 aniline 1A'Cs
1074 C6H13N 2-Methylpiperidine 1AC1
1075 N2O5 Dinitrogen pentoxide  C2
1076 C5H4O2 4-Cyclopentene-1,3-dione 1A1C2v
1077 C5H4O2 furfural 1A'OCCO trans
1078 C5H5NO 2(1H)-Pyridinone 1A'Cs
1079 C5H5NO 2(3H)-Pyridinone 1ACs
1080 C5H5NO 2(5H)-Pyridinone 1A'Cs
1081 C5H5NO 2-Pyridinol 1A'Cs
1082 C5H5NO 3(2H)-Pyridinone 1A'Cs
1083 C5H5NO 3(4H)-Pyridinone 1A'C1
1084 C5H5NO 3(6H)-Pyridinone 1A'Cs
1085 C5H5NO 3-Pyridinol 1A'Cs
1086 C5H5NO 4(1H)-Pryidinone 1A'Cs
1087 C5H5NO 4(3H)-Pryidinone 1A'Cs
1088 C5H5NO 4-Pyridinol 1A'Cs
1089 C6H5OH phenol 1A'Cs
1090 C6H10O cyclohexanone 1A'Cs
1091 SF6 Sulfur Hexafluoride 1A1GOh
1092 C6H5F Fluorobenzene 1A1C2v
1093 C6H5Cl chlorobenzene 1A1C2v
1094 C6H5Br bromobenzene 1A1C2v
1095 C6H5CCH phenylacetylene 1A1C2v
1096 C6H5CHCH2 Styrene 1A'Cs
1097 C8H8 cubane 1A1GOh
1098 C8H8 cyclooctatetraene 1A1D2d
1099 C6H5CH2CH3 Ethylbenzene 1A'Cs
1100 C8H14 Bicyclo[2.2.2]octane 1A1D3
1101 C8H18 Octane 1AGC2h
1102 C6H5CN phenyl cyanide 1A1C2v
1103 C6H12N2 Triethylenediamine 1A1'D3h
1104 S8 Octasulfur 1A1D4d
1105 C6H4O2 parabenzoquinone 1AgD2h
1106 C6H5CHO benzaldehyde 1A'Cs
1107 C6H5OCH3 Anisole 1A'Cs
1108 C6H12O2 Methyl pivalate 1AC1
1109 C6H12O2 Hexanoic acid 1A1Cs
1110 C6H4F2 orthodifluorobenzene 1A1C2v
1111 C6H4F2 1,4-difluorobenzene 1AgD2h
1112 C6H5NO2 Nitrobenzene 1A1C2v
1113 C6H5COOH benzoic acid 1A'Cs
1114 C10H8 naphthalene 1AgD2h
1115 C10H16 adamantane 1A1Td
1116 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1A'Cs

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H- Hydrogen atom anion h-  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li Lithium atom li  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na Sodium atom na  
21 Na- Sodium atom anion na-  
22 Na+ Sodium atom cation na+  
23 K Potassium atom k  
24 K- Potassium atom anion k-  
25 K+ Potassium atom cation k+  
26 LiH Lithium Hydride lih  
27 LiH- lithium hydride anion lih-  
28 LiH+ lithium hydride cation lih+  
29 NaH sodium hydride nah  
30 NaH- sodium hydride anion nah-  
31 NaH+ sodium hydride cation nah+  
32 KH Potassium hydride kh  
33 KH+ Potassium hydrogen cation kh+  
34 Be Beryllium atom be  
35 Be- Beryllium atom anion be-  
36 Be+ Beryllium atom cation be+  
37 Mg Magnesium atom mg  
38 Mg- Magnesium atom anion mg-  
39 Mg+ Magnesium atom cation mg+  
40 Ca Calcium atom ca  
41 Ca- Calcium atom anion ca-  
42 Ca+ Calcium atom cation ca+  
43 Zn- Zinc atom anion zn-  
44 Zn+ Zinc atom cation zn+  
45 BeH beryllium monohydride beh  
46 BeH- berylium monohydride anion beh-  
47 BeH+ beryllium monohydride cation beh+  
48 MgH magnesium monohydride mgh  
49 MgH- magnesium monohydride anion mgh-  
50 MgH+ magnesium monohydride cation mgh+  
51 CaH Calcium monohydride cah  
52 CaH+ Calcium monohydride cation cah+  
53 TiH Titanium monohydride tih  
54 ZnH+ Zinc, protonated znh+  
55 BeH2 beryllium dihydride beh2  
56 BeH2+ Beryllium dihydride cation beh2+  
57 MgH2 magnesium dihydride mgh2  
58 CaH2 Calcium Hydride cah2  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al- Aluminum atom anion al-  
62 Al+ Aluminum atom cation al+  
63 Sc Scandium atom sc  
64 Sc+ Scandium cation sc+  
65 Ga Gallium atom ga  
66 Ga- Gallium atom anion ga-  
67 Ga+ Gallium atom cation ga+  
68 BH Boron monohydride bh  
69 BH+ boron monohydride cation bh+  
70 AlH aluminum monohydride alh  
71 AlH- aluminum monohydride anion alh-  
72 AlH+ aluminum monohydride cation alh+  
73 ScH Scandium monohydride sch  
74 ScH+ Scandium monohydride cation sch+  
75 GaH Gallium monohydride gah  
76 GaH+ Gallium monohydride cation gah+  
77 BH2- boron dihydride anion bh2-  
78 BH2+ Boron dihydride cation bh2+  
79 AlH2 aluminum dihydride alh2  
80 AlH2+ aluminum dihydride cation alh2+  
81 AlH3+ aluminum trihydride cation alh3+  
82 ScH3 Scandium trihydride sch3  
83 GaH3 Gallium trihydride gah3  
84 BH4 borohydride bh4  
85 C+ Carbon atom cation c+  
86 Si+ Silicon atom cation si+  
87 Ti Titanium atom ti  
88 Ti- Titanium atom anion ti-  
89 Ti+ Titanium atom cation ti+  
90 Ge- Germanium anion ge-  
91 Ge+ Germanium cation ge+  
92 Sn Tin atom sn  
93 Sn+ Tin cation sn+  
94 CH Methylidyne ch  
95 SiH+ silicon monohydride cation sih+  
96 GeH germylidene geh  
97 GeH+ Germaniun monohyrdide cation geh+  
98 CH2 Methylene ch2  
99 SiH2 silicon dihydride sih2  
100 SiH2+ silicon dihydride cation sih2+  
101 GeH2 germylene geh2  
102 GeH2- germylene anion geh2-  
103 GeH3 Germyl radical geh3  
104 GeH3+ germyl cation geh3+  
105 CD4 methane-d4 cd4  
106 CH2D2 methane-d2 ch2d2  
107 CH3D methane-d ch3d  
108 CH4- Methane anion ch4-  
109 CHD3 methane-d3 chd3  
110 SiH2D2 silane-d2 sih2d2  
111 SiH4+ Silane cation sih4+  
112 SnH4 Stannane snh4  
113 SiH5+ Silane, protonated sih5+  
114 N Nitrogen atom n  
115 N+ Nitrogen atom cation n+  
116 P+ Phosphorus atom cation p+  
117 V Vanadium atom v  
118 V+ Vanadium atom cation v+  
119 As- Arsenic anion as-  
120 As+ Arsenic cation as+  
121 Sb Antimony atom sb  
122 NH Imidogen nh  
123 PH phosphorus monohydride ph  
124 AsH+ Arsenic monohydride cation ash+  
125 SbH Antimony monohydride sbh  
126 NH2+ Amino cation nh2+  
127 AsH2+ Arsenic dihydride cation ash2+  
128 NH3- Ammonia anion nh3-  
129 SbH3 Stibine sbh3  
130 AsH4+ Arsonium ash4+  
131 NH4 Ammonium radical nh4  
132 PH4 Phosphoranyl radical ph4  
133 Cr Chromium atom cr  
134 Te Tellurium atom te  
135 Te+ Tellurium atom cation te+  
136 OH+ hydoxyl cation oh+  
137 CrH Chromium hydride crh  
138 CrH+ Chromium hydride cation crh+  
139 HSe+ selenium monohydride cation hse+  
140 TeH Telluryl radical teh  
141 H2S- Hydrogen sulfide anion h2s-  
142 H2Te Hydrogen Telluride h2te  
143 H3Se+ Hydrogen Selenide, protonated h3se+  
144 Mn Manganese atom mn  
145 I Iodine atom iodine  
146 I- Iodine atom anion iodine-  
147 I+ Iodine atom cation iodine+  
148 HI Hydrogen iodide hi  
149 HI+ Hydrogen iodide cation hi+  
150 H2Br+ protonated hydrogen bromide h2br+  
151 H2I+ Iodonium h2i+  
152 Fe Iron atom fe  
153 Kr Krypton atom kr  
154 Kr+ Krypton cation kr+  
155 Xe Xenon atom xe  
156 HeLi+ Helium Lithium cation heli+  
157 NeH neon hydrogen neh  
158 KrH+ Protonated Krypton krh+  
159 XeH+ Xenon, protonated xeh+  
160 H2Ar H2 Ar dimer h2ar  
161 Co Cobalt atom cobalt  
162 Ni Nickel atom ni  
163 Li2 Lithium diatomic li2  
164 Li2- lithium diatomic anion li2-  
165 Li2+ lithium diatomic cation li2+  
166 NaLi lithium sodium lina  
167 NaLi- lithium sodium anion lina-  
168 NaLi+ lithium sodium cation lina+  
169 LiK Lithium Potassium lik  
170 Na2 Sodium diatomic na2  
171 Na2- sodium diatomic anion na2-  
172 Na2+ sodium diatomic cation na2+  
173 NaK Sodium Potassium nak  
174 NaK+ Sodium Potassium diatomic cation nak+  
175 K2 Potassium diatomic k2  
176 LiBe Lithium Beryllium libe  
177 LiMg Lithium magnesium limg  
178 NaBe Sodium Beryllium nabe  
179 NaMg Sodium Magnesium namg  
180 Be2 Beryllium diatomic be2  
181 Be2+ Beryllium diatomic cation be2+  
182 BeMg Beryllium Magnesium bemg  
183 Mg2 Magnesium diatomic mg2  
184 Mg2- magnesium diatomic anion mg2-  
185 Mg2+ magnesium diatomic cation mg2+  
186 Ca2 Calcium diatomic ca2  
187 LiB Lithium boride lib  
188 LiAl Lithium Aluminum lial  
189 NaAl Sodium aluminum naal  
190 BeB Beryllium monoboride beb  
191 B2 Boron diatomic b2  
192 B2+ Boron diatomic cation b2+  
193 BAl Boron Aluminum bal  
194 Al2 Aluminum diatomic al2  
195 Al2+ aluminum diatomic cation al2+  
196 BGa Boron Gallium bga  
197 AlGa Aluminum Gallium alga  
198 Ga2 Gallium diatomic ga2  
199 HBBH Diborane(2) hbbh  
200 LiBH4 Lithium borohydride libh4  
201 HBHHBH Diborane(4) C2V hbhhbh  
202 B2H6+ Diborane cation b2h6  
203 Al2H6 dialane al2h6  
204 Ga2H6 digallane ga2h6  
205 LiC Lithium Carbide lic  
206 BeC Beryllium Carbide bec  
207 CaC Calcium monocarbide cac  
208 BC boron monocarbide bc  
209 BC- boron monocarbide anion bc-  
210 BC+ boron monocarbide cation bc+  
211 AlC Aluminum carbide alc  
212 BSi Boron silicide bsi  
213 C2 Carbon diatomic c2  
214 SiC silicon monocarbide sic  
215 Si2 Silicon diatomic si2  
216 GeC Germanium monocarbide gec  
217 SiGe Silicon Germanium sige  
218 Ge2 Germanium diatomic ge2  
219 C2H+ Ethynyl cation c2h+  
220 ZnCH2 Zinc methylene znch2  
221 CCH2 vinylidene vinylidene  
222 H2CC- vinylidene anion h2cc-  
223 HCCH- acetylene anion c2h2-  
224 Si2H2 disilyne si2h2  
225 CH2BH methyleneborane ch2bh  
226 C2H3- vinyl anion c2h3-  
227 Si2H4 Disilene si2h4  
228 CH3BH2 methylborane ch3bh2  
229 C2H5- Ethyl anion c2h5-  
230 C2H6+ ethane cation c2h6+  
231 GeH3CH3 methyl germane geh3ch3  
232 C2H7+ Ethane, protonated c2h7+  
233 LiN Lithium Nitride lin  
234 LiP Lithium monophosphide lip  
235 BeN Beryllium mononitride ben  
236 BeN+ Beryllium mononitride cation ben+  
237 MgN Magnesium Nitride mgn  
238 BP Boron monophosphide bp  
239 AlP Aluminum monophosphide alp  
240 GaN Gallium mononitride gan  
241 GaP Gallium monophosphide gap  
242 GaAs Gallium arsenide gaas  
243 BN boron nitride bn  
244 AlN Aluminum nitride aln  
245 CP Carbon monophosphide cp  
246 CP+ carbon monophosphide cation cp+  
247 SiP+ Silicon monophosphide cation sip+  
248 TiN Titanium mononitride tin  
249 AsN Arsenic mononitride asn  
250 AsP Arsenic monophosphide asp  
251 SbN Antimony nitride sbn  
252 HNC+ hydrogen isocyanide cation hnc+  
253 HCP+ Phosphaethyne cation hcp+  
254 HPO+ Hydrogen phosphorus oxide cation hpo+  
255 LiNH2 lithium amide linh2  
256 HBNH Boranimine hbnh  
257 CNH2 Aminomethylidyne radical cnh2  
258 H2CN Dihydrogen cyanide radical h2cn  
259 HCNH methyleneazane hcnh  
260 H2NN Isodiazene h2nn  
261 N2H2 (Z)-Diazene n2h2z  
262 N2H2+ trans-diazene cation n2h2+  
263 CH2NH+ Methanimine cation ch2nh+  
264 CHNH2 aminomethylene chnh2  
265 CHNH2+ Aminocarbene cation chnh2+  
266 BH2NH2 Boranamine bh2nh2  
267 N2H4+ hydrazine cation n2h4+  
268 CH3NH2+ methyl amine cation ch3nh2+  
269 SiH3NH2 Silane, amino sih3nh2  
270 N2H5+ protonated hydrazine n2h5+  
271 BH3PH3 borane phosphine bh3ph3  
272 CH3NH3 methyl ammonium radical ch3nh3  
273 CH3PH3+ methyl phosphine, protonated ch3ph3+  
274 N2H7+ ammonia ammonium dimer n2h7+  
275 LiO- lithium oxide anion lio-  
276 LiO+ lithium oxide cation lio+  
277 LiS Lithium monosulfide lis  
278 LiS+ Lithium sulfide cation lis+  
279 KO Potassium monoxide ko  
280 KO+ Potassium monoxide cation ko+  
281 NaS Sodium sulfide nas  
282 LiSe Lithium monoselenide lise  
283 CaO Calcium monoxide cao  
284 CaS Calcium sulfide cas  
285 ScO Scandium monoxide sco  
286 GaO Gallium monoxide gao  
287 GaS Gallium monosulfide gas  
288 TiO Titanium monoxide tio  
289 GeO+ Germanium monoxide cation geo+  
290 GeS Germanium monosulfide ges  
291 SiSe Silicon Monoselenide sise  
292 SiSe+ Silicon Monoselenide cation sise+  
293 GeSe Germanium monoselenide gese  
294 NO- nitric oxide anion no-  
295 NS Mononitrogen monosulfide ns  
296 NS- nitrogen sulfide anion ns-  
297 PS- phosphorus monosulfide anion ps-  
298 VO Vanadium monoxide vo  
299 NSe Nitrogen monoselenide nse  
300 AsS Arsenic monosulfide ass  
301 PSe Phosphorus monoselenide pse  
302 AsSe Arsenic monoselenide asse  
303 O2-- dioxygen dianion o2--  
304 SO Sulfur monoxide so  
305 S2 Sulfur diatomic s2  
306 SeO Selenium monoxide seo  
307 TeO Tellurium monoxide teo  
308 Se2 Selenium diatomic se2  
309 Te2 Tellurium diatomic te2  
310 KOH Potassium hydroxide koh  
311 CaOH Calcium monohydroxide caoh  
312 COH Hydroxymethylidyne coh  
313 COH+ Carbon Monoxide, protonated coh+  
314 NOH Hydroxyimidogen noh  
315 NOH+ O-protonated nitric oxide noh+  
316 HNS Sulfur imide hns  
317 HNS- Sulfur imide anion hns-  
318 HO2+ Hydroperoxy cation ho2+  
319 HSO+ Sulfur Monoxide, S-protonated HSO+  
320 SOH Sulfur Hydroxide soh  
321 SOH+ Sulfur Monoxide, protonated soh+  
322 HS2 Thiosulfeno radical hs2  
323 HOCH hydroxycarbene hoch  
324 H2CS- thioformaldehyde anion h2cs-  
325 H2CS+ thioformaldehyde cation h2cs+  
326 H2CSe Selenoformaldehyde h2cse  
327 H2NO nitroxide h2no  
328 H2O2+ Hydrogen peroxide cation h2o2+  
329 H2OO water oxide h2oo  
330 HOSH hydrogen thioperoxide hosh  
331 H2S2+ hydrogen disulfide cation h2s2+  
332 H2Se2 hydrogen diselenide h2se2  
333 CH3O Methoxy radical ch3o  
334 CH3O+ Methoxy cation ch3o+  
335 H2CSH+ Thioformaldehyde, protonated h2csh+  
336 NH2OH+ Hydroxylamine cation nh2oh+  
337 NH3O Ammonia Oxide nh3o  
338 H2POH Phosphinous acid h2poh  
339 H3PO Phosphine oxide h3po  
340 NH2SH Thiohydroxylamine nh2sh  
341 NH3S sulfidoazane nh3s  
342 H3O2+ hydrogen peroxide, protonated h3o2+  
343 CH3OH- Methyl alcohol anion ch3oh-  
344 CH3OH+ Methyl alcohol cation ch3oh+  
345 CH3SH+ Methanethiol cation ch3sh+  
346 SiH3OH silanol sih3oh  
347 NH2OH2+ protonated hydroxylamine nh2oh2+  
348 NH3OH+ N-protonated hydroxylamine nh3oh+  
349 CH3OH2+ Methanol, protonated ch3oh2+  
350 CH3SH2+ protonated methylsulfide ch3sh2+  
351 H5O2+ Dihydroxonium ion h5o2+  
352 KF Potassium Fluoride kf  
353 KCl Potassium Chloride kcl  
354 KBr Potassium Bromide kbr  
355 LiI Lithium Iodide lii  
356 NaI Sodium Iodide nai  
357 KI Potassium Iodide ki  
358 CaF Calcium monofluoride caf  
359 CaCl calcium monochloride cacl  
360 TiCl Titanium Monochloride ticl  
361 ZnF- Zinc monofluoride anion znf-  
362 ZnF+ Zinc monofluoride cation znf+  
363 CaBr Calcium monobromide cabr  
364 AlCl Aluminum monochloride alcl  
365 ScF Scandium monofluoride scf  
366 BBr Boron monobromide bbr  
367 GaF Gallium monofluoride gaf  
368 GaF+ Gallium monofluoride cation gaf+  
369 AlBr Aluminum monobromide albr  
370 GaCl Gallium monochloride gacl  
371 GaCl+ Gallium monochloride cation gacl+  
372 AlI Aluminum monoiodide ali  
373 GaBr Gallium monobromide gabr  
374 CF- carbon monofluoride anion cf-  
375 CBr Carbon monobromide cbr  
376 GeF Germanium monofluoride gef  
377 GeF+ Germanium monofluoride cation gef+  
378 GeCl Germanium monochloride gecl  
379 GeCl+ Germanium monochloride cation gecl+  
380 SiBr Silicon monobromide sibr  
381 SiBr+ Silicon monobromide cation sibr+  
382 NF nitrogen fluoride nf  
383 NCl nitrogen monochloride ncl  
384 PF phosphorus monofluoride pf  
385 PCl phosphorus chloride pcl  
386 AsF Arsenic monofluoride asf  
387 NBr nitrogen monobromide nbr  
388 AsCl Arsenic monochloride ascl  
389 PBr Phosphorus monobromide pbr  
390 SbF Antimony monofluoride sbf  
391 SbCl Antimony monochloride sbcl  
392 ClO+ chlorine monoxide cation clo+  
393 SF+ sulfur monofluoride cation sf+  
394 SCl+ sulfur monochloride cation scl+  
395 BrO- Bromine monoxide anion bro-  
396 BrO+ Bromine monoxide cation bro+  
397 SeF Selenium monofluoride sef  
398 SBr Sulfur monobromide radical sbr  
399 SBr+ Sulfur monobromide cation sbr+  
400 SeCl Selenium monochloride secl  
401 IO Iodine monoxide io  
402 SeBr Selenium monobromide sebr  
403 ClF- clorine monofluoride anion clf-  
404 IF Iodine monofluoride if  
405 ICl Iodine monochloride icl  
406 IBr Iodine monobromide ibr  
407 I2 Iodine diatomic i2  
408 I2+ Iodine diatomic cation i2+  
409 HCF Fluoromethylene hcf  
410 HCCl Chloromethylene hccl  
411 HSiF fluorosilylene hsif  
412 HSiCl Chlorosilylene hsicl  
413 HSiBr monobromosilylene hsibr  
414 CHBr bromomethylene chbr  
415 HOCl+ hypochlorous acid cation hocl+  
416 HOBr+ Hypobromous acid cation hobr+  
417 HOI Hypoiodous acid hoi  
418 F2H+ Fluorine, protonated f2h+  
419 FHF Hydrogen difluoride fhf  
420 FHF- Hydrogen difluoride anion fhf-  
421 ClFH+ Chlorine fluoride, F-protonated clfh+  
422 FClH+ Chlorine fluoride, Cl-protonated fclh+  
423 Cl2H+ Chlorine, protonated cl2h+  
424 CH2Br bromomethyl radical ch2br  
425 CH2F+ fluoromethyl cation ch2f+  
426 CH2Cl+ chloromethyl cation ch2cl+  
427 CH2Cl chloromethyl radical ch2cl  
428 H2F2 Hydrogen fluoride dimer h2f2  
429 CH3F+ methyl fluoride cation ch3f+  
430 CD3F methylfluoride-d3 cd3f  
431 CD3Cl methyl chloride d3 cd3cl  
432 CH3Cl+ Methyl chloride cation ch3cl+  
433 GeH3F monofluorogermane geh3f  
434 GeH3Cl monochlorogermane geh3cl  
435 SiH3Br bromosilane sih3br  
436 CH3I methyl iodide ch3i  
437 SiH3I Silyl Iodide sih3i  
438 NH3Cl+ protonated monochloroammonia nh3cl+  
439 CH3ClH+ methyl chloride, protonated ch3clh+  
440 NH4Cl Ammonium chloride nh4cl  
441 LiNe+ Lithium Neon cation line+  
442 Ne2 Neon diatomic ne2  
443 Ne2+ Neon diatomic cation ne2+  
444 Ar2 Argon diatomic ar2  
445 Ar2+ Argon diatomic cation ar2+  
446 Li3 Lithium trimer li3  
447 Li3+ Lithium trimer cation li3+  
448 SiC2 Silicon dicarbide sic2  
449 C3H3 cyclopropenyl radical cpr  
450 C3H4 cyclopropene cprop  
451 C3H5 Allyl radical allyl  
452 C3H5+ Allyl cation allyl+  
453 CH3CHCH 1-propenyl radical ch3chch  
454 C3H7+ cyclopropane, protonated c3h7+  
455 CH3CHCH3 Isopropyl radical isopropyl  
456 CH3CHCH3+ Isopropyl cation prop2yl+  
457 Si3H8 trisilane si3h8  
458 LiCN lithium cyanide licn  
459 NaCN Sodium Cyanide nacn  
460 KCN Potassium cyanide kcn  
461 CuCN Copper cyanide cucn  
462 ZnCN Zinc monocyanide zncn  
463 ZnNC Zinc isocyanide znnc  
464 AlCN Aluminum monocyanide alcn  
465 AlNC Aluminum isocyanide alnc  
466 CN2 3H-Diazirin-3-ylidene cn2  
467 CNN Diazocarbene cnn  
468 NCN Cyanoimidogen ncn  
469 N3+ azide cation n3+  
470 HCCN cyanomethylene hccn  
471 HCNN diazomethyl radical hcnn  
472 HN3+ Hydrazoic acid cation hn3+  
473 HNNNH+ 1,2-Triazadienium n2h3+  
474 NH2NN+ hydrazoic acid, protonated nh2nn+  
475 CH3CN+ Acetonitrile cation ch3cn+  
476 CHNCH2 2H-Azirine c157164  
477 CHNHCH 1H-Azirine chnhch  
478 H2CCNH Ethenimine ch2cnh  
479 H2CNCH methyleneaminomethylene ch2nch  
480 HCCNH2 Ethynamine hccnh2  
481 HCNCH2+ 2H-Azirine cation hcnch2+  
482 HNCNH2+ diiminomethane, protonated hncnh2+  
483 NCNH3+ Cyanamide, protonated ncnh3+  
484 NH2CNH+ cyanamide, cn protonated nh2cnh+  
485 NH3CN+ cyanamide, amine protonated nh3cn+  
486 CH2CHNH vinylazine ch2chnh  
487 CH3CHN methylmethaniminyl radical ch3chn  
488 NH2BHNH2 diaminoborane nh2bhnh2  
489 C2H5NH+ Protonated Aziridine c2h5nh+  
490 C2H6N+ aziridine, protonated c2h6n+  
491 NH2CH2NH2 diaminomethane nh2ch2nh2  
492 CH3PHCH3 dimethylphosphine ch3phch3  
493 NH2CH2NH3+ diaminoethane, protonated pdam  
494 (CH3)2NH2+ dimethylammonium cation dmam  
495 CH3CH2NH3+ ethylamine, protonated pea  
496 Li2O+ dilithium oxide cation li2o+  
497 Li2S dilithium sulfide li2s  
498 Na2S Sodium sulfide na2s  
499 LiO2 Lithium dioxide lio2  
500 NaO2 Sodium superoxide nao2  
501 CCO Dicarbon monoxide cco  
502 BO2+ Boron dioxide cation bo2+  
503 N2O- Nitrous oxide anion n2o-  
504 NNS Nitrogen sulfide nns  
505 PPO Phosphorus oxide phosphide ppo  
506 CS2- Carbon disulfide anion cs2-  
507 SiS2 Silicon disulfide sis2  
508 SCSe Carbon sulfide selenide scse  
509 GeS2 Germanium disulfide ges2  
510 CSe2 Carbon diselenide cse2  
511 SCTe Carbon sulfide Telluride scte  
512 NSO sulfinyl amidogen NSO  
513 SNO Nitrogen oxide sulfide sno  
514 AsO2 Aresenic dioxide aso2  
515 S3- Sulfur trimer anion s3-  
516 S3+ Sulfur trimer cation s3+  
517 SeO2+ Selenium dioxide cation seo2+  
518 TeO2 Tellurium Dioxide teo2  
519 CS2H+ Carbon disulfide, protonated cs2h+  
520 HNCS Isothiocyanic acid hncs  
521 HSCN thiocyanic acid hscn  
522 HNNO nitrosoazane hnno  
523 HNNO+ Nitrous oxide, N-protonated hnno+  
524 NNOH+ Nitrous Oxide, O-protonated nnoh+  
525 HCOO formate neutral radical hcoo  
526 O3H+ protonated ozone o3h+  
527 SO2H+ protonated sulfur dioxide so2h+  
528 CH2CS Thioketene ch2cs  
529 Be(OH)2 Beryllium hydroxide beo2h2  
530 Mg(OH)2 Magnesium dihydroxide h2mgo2  
531 NH2NO Nitrosamide nh2no  
532 H2COO Dioxymethyl radical h2coo  
533 H2COO+ dioxymethyl cation h2coo+  
534 H2O3 Hydrogen trioxide h2o3  
535 HSSSH trisulfane hsssh  
536 NaOCH3 Sodium methoxide naoch3  
537 CH2BOH hydroxy(methylene)borane ch2boh  
538 BH3CO Borane carbonyl bh3co  
539 CH3BO Borane, methyloxo- ch3bo  
540 CH2CHO Vinyloxy radical ch2cho  
541 CH2COH+ ketene, protonated ch2coh+  
542 CH3CO- Acetyl anion ch3co-  
543 CH2NOH formaldoxime ch2noh  
544 CH3NO nitrosomethane ch3no  
545 CNOH3 1,2-oxaziridine cnoh3  
546 HOCHNH hydroxymethylimine hochnh  
547 CHSNH2 thioformamide chsnh2  
548 NHCHSH Methanimidothioic acid nhchsh  
549 CH2OOH CH2OOH radical ch2ooh  
550 C2H4O+ ethylene oxide cation c2h4o+  
551 CH3CHO+ acetaldehyde cation ch3cho+  
552 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
553 CH2CHSH Ethenethiol ch2chsh  
554 H2CONH2+ protonated formamide h2conh2+  
555 NH2CHOH+ Formamide, O-protonated nh2choh+  
556 NH3CHO+ Formamide, N-Protonated nh3cho+  
557 CH2(OH)2 methanediol ch2o2h2  
558 CH3SSH Hydrogen methyl disulfide ch3ssh  
559 HSCH2SH Methanedithiol ch4s2  
560 C2H4OH+ ethylene oxide, protonated c2h4oh+  
561 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
562 CH3CH2O Ethoxy radical ethoxy  
563 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
564 CH3CHOH+ acetaldehyde, protonated ch3choh+  
565 CH3OCH2 methoxymethyl radical ch3och2  
566 NH2CH2OH aminomethanol nh2ch2oh  
567 CH3SCH3+ dimethyl sulfide cation mesme+  
568 CH3SeCH3 dimethylselenide dmse  
569 CuF2 Copper difluoride cuf2  
570 CNF iso cyanogen fluoride cnf  
571 ICN Cyanogen iodide icn  
572 FBO Boron monofluoride monoxide fbo  
573 BeF2 Beryllium fluoride bef2  
574 MgF2 Magnesium fluoride mgf2  
575 BeCl2 Beryllium chloride becl2  
576 CaCl2 Calcium Chloride cacl2  
577 BeBr2 Beryllium bromide bebr2  
578 CaBr2 Calcium dibromide cabr2  
579 CaF2 Calcium difluoride caf2  
580 FCO Carbonyl fluoride fco  
581 FCO+ Carbonyl fluoride cation fco+  
582 ClCO carbonyl monochloride clco  
583 BF2 Boron difluoride radical bf2  
584 FNS Thionitrosyl fluoride fns  
585 FSN Thiazyl fluoride fsn  
586 OPCl Phosphorus oxychloride opcl  
587 BrNO Nitrosyl bromide brno  
588 INO Nitrosyl iodide ino  
589 CF2 Difluoromethylene cf2  
590 CFCl chlorofluoromethylene cfcl  
591 SiF2 Silicon difluoride sif2  
592 SiF2+ Silicon difluoride cation sif2+  
593 GeF2 Germanium difluoride gef2  
594 GeCl2 Germanium dichloride gecl2  
595 CBr2 dibromomethylene cbr2  
596 FOO+ Fluorine dioxide cation foo+  
597 OClO- Chlorine dioxide anion oclo-  
598 ClSO Sulfur chloride oxide clso  
599 BrOO Bromine dioxide broo  
600 OBrO Bromine dioxide radical obro  
601 PF2 Phosphorus difluoride pf2  
602 PF2+ Phosphorus difluoride cation pf2+  
603 FClO chlorosyl fluoride fclo  
604 ClOF Chlorine hypofluorite clof  
605 SF2- sulfur difluoride anion sf2-  
606 SeF2 Selenium difluoride sef2  
607 BrOCl Bromine hypochlorite brocl  
608 SeCl2 Selenium Dichloride secl2  
609 SBr2 Sulfur dibromide sbr2  
610 SeBr2 Selenium dibromide sebr2  
611 BrOBr Bromine oxide brobr  
612 F3- trifluoride anion f3-  
613 Cl3- trichloride anion cl3-  
614 Br3- tribromide anion br3-  
615 I3- triiodide i3-  
616 SFCl Sulfur chloride fluoride sfcl  
617 HCCF+ fluoroacetylene cation hccf+  
618 HCCCl Chloroacetylene hcccl  
619 HCCBr bromoacetylene hccbr  
620 HFCO+ formyl fluoride cation hfco+  
621 CHCl2 dichloromethyl radical chcl2  
622 CHF2 difluoromethyl radical chf2  
623 CHF2+ difluoromethyl cation chf2+  
624 CHFCl Chlorofluoromethyl radical chfcl  
625 CHFCl+ Chlorofluoromethyl cation chfcl+  
626 CHCl2+ dichloromethyl cation chcl2+  
627 CHBr2 dibromomethyl radical chbr2  
628 HOClO Chlorous acid hoclo  
629 NHF2 difluoramine nhf2  
630 NHCl2 dichloroamine nhcl2  
631 SiH2F2 difluorosilane sih2f2  
632 CH2BrF Methane, bromofluoro- ch2fbr  
633 CH2BrCl Methane, bromochloro- ch2clbr  
634 CH2FI fluoroiodomethane ch2fi  
635 CH2ClI chloroiodomethane ch2cli  
636 CH2BrI bromoiodomethane ch2bri  
637 CH2I2 Diiodomethane ch2i2  
638 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
639 CH2CHF+ fluoroethene cation ch2chf+  
640 C2H3I Vinyl iodide c2h3i  
641 CH2FOH fluoromethanol ch2foh  
642 CH3OCl methyl hypochlorite ch3ocl  
643 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
644 CHClCH3 1-chloroethyl radical chclch3  
645 CH3SiFH2 fluoromethylsilane ch3sifh2  
646 C2H5I Ethyl iodide c2h5i  
647 KrF2 Krypton difluoride krf2  
648 XeF2 Xenon difluoride xef2  
649 B4H10 Tetraborane(10) b4h10  
650 C4H4 cyclobutadiene cbd  
651 C4H4 Tetrahedrane c4h4  
652 CHCCH2CH3 1-Butyne c107006  
653 CH3CHCHCH2 methylallyl radical c4h7  
654 C4H8 methylcyclopropane mcp  
655 B(CH3)3 trimethylborane bme3  
656 Al(CH3)3 trimethyl aluminum tma  
657 SiH(CH3)3 trimethylsilane trimsi  
658 Li3N trilithium nitride li3n  
659 As4 Arsenic tetramer as4  
660 H2CNCN cyanamide, methylene ch2ncn  
661 HNCCNH Ethenediimine hnccnh  
662 CH3N3 methyl azide ch3n3  
663 NH2CCNH2 Diaminoacetylene daa  
664 NH2CH2CN Aminoacetonitrile aan  
665 CH3NHN2+ methyl azide, protonated ch3nhn2+  
666 C2H5CN ethyl cyanide c2h5cn  
667 CH5N3 Guanidine guanidine  
668 C4H6 Bicyclo[1.1.0]butane c157335  
669 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
670 H2NCHCHNH2 diaminoethylene dae  
671 CH6N3+ guanidinium ch6n3+  
672 CH7N3 triaminomethane tam  
673 C3H7N Azetidine azet  
674 NH2CH2CH2CH3 1-Propanamine pram1  
675 P(CH3)3 trimethylphosphine tmp  
676 N(SiH3)3 trisilylamine tsa  
677 (CH3)3NH+ protonated trimethyl amine ptma  
678 C3H7NH3+ n-propylamine, protonated c3h7nh2  
679 Li2O2 dilithium dioxide li2o2  
680 Na2O2 disodium dioxide na2o2  
681 K2O2 dipotassium dioxide k2o2  
682 C3O Tricarbon monoxide c3o  
683 S2N2 Disulfur dinitride s2n2  
684 CO3 Carbon trioxide co3  
685 CS3-- Carbonotrithioate cs3--  
686 NO3 Nitrogen trioxide no3  
687 NO3- nitrate anion no3-  
688 SO3-- Sulfate dianion so3--  
689 SeO3 selenium trioxide seo3  
690 S4 Sulfur tetramer s4  
691 TeO3 Tellurium trioxide teo3  
692 HSO3 Hydroxysulfonyl radical hso3  
693 NH2NO2 nitramide nh2no2  
694 C2H2CO cyclopropenone c2h2co  
695 C3H2O Propadienal c3h2o  
696 HCCCHO 2-propynal hcccho  
697 C2H2O2+ Ethanedial cation c2h2o2+  
698 H2CO3 Carbonic acid h2co3  
699 H2CS3 thiocarbonic acid h2cs3  
700 H2NO3+ Nitric Acid, Protonated h2no3+  
701 H2SO3 Sulfurous acid h2so3  
702 C2H3NO Nitrosoethylene c2h3no  
703 CH3NCO methylisocyante ch3nco  
704 HOCH2CN cyanomethanol hoch2cn  
705 NH2COOH Carbamic acid nh2cooh  
706 H3AlO3 Aluminum hydroxide h3alo3  
707 H3CO3+ carbonic acid, protonated h3co3+  
708 NH2CONH2+ Urea cation urea+  
709 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
710 NH3COOH+ protonated Carbamic acid nh3cooh+  
711 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
712 CH3COCH2 Acetonyl radical ch3coch2  
713 CH2C(OH)NH2 1-amino vinyl alchohol ava  
714 CH3C(OH)=NH Ethaninidic acid eia  
715 HCONHCH3 N-methylformamide nmfa  
716 CH3CSNH2 Ethanethioamide ch3csnh2  
717 CH5N2O+ urea, N-protonated ch4n2o+  
718 H2NCOHNH2+ urea, protonated ureah+  
719 C2H5OO ethylperoxy radical c2h5oo  
720 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
721 C3H5OH Cyclopropanol cproh  
722 C3H6O 2-Propen-1-ol c107186  
723 C3H6O Acetone enol enol  
724 C3H6O Oxetane oxetane  
725 CH3COCH3- acetone anion ch3coch3-  
726 CH3CSCH3 Thioacetone ch3csch3  
727 CH3COHCH3+ acetone, protonated acetoneh+  
728 HOCH2CH2NH2 monoethanolamine mea  
729 Li2F2 Lithium fluoride dimer li2f2  
730 Na2F2 Sodium Fluoride Dimer na2f2  
731 FNO2 Nitryl fluoride fno2  
732 FONO Nitrosyl hypofluorite fono  
733 ClONO chlorine nitrite clono  
734 BrONO Bromine nitrite brono  
735 CF2O+ Carbonic difluoride cation f2co+  
736 Cl2CS Thiophosgene cl2cs  
737 BClF2 Chlorodifluoroborane bclf2  
738 ScF3 Scandium trifluoride ScF3  
739 BCl3+ Boron Trichloride cation bcl3+  
740 GaF3 Gallium trifluoride gaf3  
741 GaCl3 Gallium trichloride gacl3  
742 BBr3 Boron tribromide bbr3  
743 AlBr3 Aluminum Bromide albr3  
744 ClO3 Chlorine trioxide clo3  
745 BrO3- Bromate anion bro3-  
746 CF2Cl difluorochloromethyl radical cf2cl  
747 SiF3 Silicon trifluoride radical sif3  
748 SiF3+ Silicon trifluoride cation sif3+  
749 CFCl2 dichlorofluoromethyl radical cfcl2  
750 CBr3 tribromomethyl radical cbr3  
751 FOOF Perfluoroperoxide foof  
752 ClO2F Chloryl fluoride clo2f  
753 F2SO Thionyl Fluoride f2so  
754 ClOOCl Dichlorine dioxide cloocl  
755 SSCl2 Thiothionyl chloride sscl2  
756 SbF3 Antimony Trifluoride sbf3  
757 AsCl3 Arsenous trichloride ascl3  
758 SbCl3 Antimony Trichloride sbcl3  
759 NBr3 Nitrogen Tribromide nbr3  
760 PBr3 Phosphorus tribromide pbr3  
761 AsBr3 Arsenic tribromide asbr3  
762 NI3 Nitrogen triiodide ni3  
763 PI3 Phosphorus triiodide pi3  
764 SF3 Sulfur trifluoride sf3  
765 ClF3 Chlorine trifluoride clf3  
766 IF3 iodone trifluoride if3  
767 HClO3 Chloric Acid hclo3  
768 SiHF3 trifluorosilane sihf3  
769 CDCl3 trichloromethane-d cdcl3  
770 CHBrF2 Methane, bromodifluoro- chbrf2  
771 CHFClBr fluorochlorobromomethane chfclbr  
772 CHF2I difluoroiodomethane chf2i  
773 CHBr2F dibromofluoromethane chbr2f  
774 CHFClI fluorochloroiodomethane chfcli  
775 CHCl2I dichloroiodomethane chcl2i  
776 CHI3 Iodoform chi3  
777 NF3H+ protonated nitrogen trifluoride nf3h+  
778 AsF3H+ Arsenic trifluoride, protonated asf3h+  
779 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
780 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
781 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
782 C2H2Br2 1,1-dibromoethene c2h2br2  
783 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
784 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
785 CH2FCHO Fluoroacetaldehyde ch2fcho  
786 CH2ClCHO chloroacetaldehyde ch2clcho  
787 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
788 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
789 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
790 CH2CFCH3 2-fluoropropene 2fpro  
791 CH2CHCH2F Allyl Fluoride allylf  
792 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
793 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
794 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
795 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
796 CH2FCH2CH3 1-Fluoropropane prf1  
797 CH3CHFCH3 2-Fluoropropane prf2  
798 CH3CHClCH3 Propane, 2-chloro- prcl2  
799 CH3CH2CH2Br n-propyl bromide prbr  
800 CH3CHBrCH3 i-propyl bromide iprbr  
801 C3H9O+ trimethyl oxonium cation c3h9o+  
802 B5H9 pentaborane9 b5h9  
803 C5H4 pentatetraene ptrene  
804 C5H5 cyclopentadienyl radical c5h5  
805 C5H6 Propellane propellane  
806 C5H7 1,3-pentadienyl radical pdyl  
807 C5H7 cyclopentenyl radical cpyl  
808 C5H8 1-pentyne a1pentyne  
809 C5H8 Bicyclo[1.1.1]pentane bcp  
810 C5H8 Ethenylcyclopropane c693867  
811 CH3CCCH2CH3 2-Pentyne 2pentyne  
812 CH2N4 1H-Tetrazole 1htz  
813 C3H3N2 imidazolyl radical im  
814 C3H3N2- imidizolyl anion im-  
815 C2H3N3 1H-1,2,4-Triazole c288880  
816 C4H4N pyrrolide radical c4h4n  
817 C4H4N- pyrrolide anion c4h4n-  
818 C3H4N2 2H-Imidazole imid2h  
819 C4H5N 2H-pyrrole pyrrole2  
820 C4H5N 3H-pyrrole pyrrole3  
821 CH2CHCH2CN Allylcyanide ch2chch2cn  
822 C4H6N+ pyrrole, alpha-protonated appyr  
823 C4H6N+ pyrrole, beta-protonated bppyr  
824 C4H6N+ pyrrole, protonated ppyr  
825 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
826 CH3CH2CH2CN Butanenitrile c109740  
827 NH(C2H5)2 diethylamine dea  
828 NC4H12+ tetramethyl ammonium cation nc4h12+  
829 B2O3 diboron trioxide b2o3  
830 MgCO3 Magnesium Carbonate mgco3  
831 BeCO3 Beryllium Carbonate beco3  
832 CaCO3 Calcium Carbonate caco3  
833 ONONO Nitrosyl nitrite onono  
834 HOONO2 peroxy nitric acid hoono2  
835 HSO4- bisulfate anion hso4-  
836 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
837 C3H2O2 Propiolic acid c3h2o2  
838 CHOCOOH oxo acetic acid oaa  
839 CHOOCHO diformyl ether choocho  
840 H2SeO4 Selenic acid h2seo4  
841 C3H3NO Oxazole oxazole  
842 C3H3NS Thiazole thiazole  
843 CH3C(O)OO acetyl peroxy radical ch3coo2  
844 H3PO4 Phosphoric Acid h3po4  
845 C4H4O+ Furan cation furan+  
846 CH3COCCH 3-butyn-2-one c1423605  
847 C4H4Se selenophene c4h4se  
848 C3H4O2 Methyl glyoxal megly  
849 HOCHCCHOH allenediol aldiol  
850 C2H4O3 1,2,3-trioxolane c2h4o3  
851 C2H4O3 trioxolane124 triox  
852 CH3SO2NH2 methanesulfonamide ch3so2nh2  
853 CH3CH2COOH Propanoic Acid propanoic  
854 HCOOC2H5 Ethyl formate faee  
855 C4H8O Furan, tetrahydro- thf  
856 C4H10O 1-Butanol butanol1  
857 C4H10O Methyl propyl ether meopr  
858 C4H10O+ 1-Butanol cation butanol1+  
859 C4H9SH 1-Butanethiol bush  
860 ClONO2 Chlorine nitrate clono2  
861 BrONO2 Bromine nitrate brono2  
862 SO2F2 Sulfuryl fluoride so2f2  
863 TiF4 Titanium tetrafluoride tif4  
864 GeF4 Germanium tetrafluoride gef4  
865 CCl4+ Carbon tetrachloride cation ccl4+  
866 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
867 CBrCl2F bromodichlorofluoromethane cbrcl2f  
868 CF3I trifluoroiodomethane cf3i  
869 CBrCl3 Methane, bromotrichloro- cbrcl3  
870 CBr2F2 Methane, dibromodifluoro- cbr2f2  
871 GeCl4 Germanium Tetrachloride gecl4  
872 CBr2ClF dibromochlorofluoromethane cbr2clf  
873 CBr2Cl2 dibromodichloromethane cbr2cl2  
874 CCl3I trichloroiodomethane ccl3i  
875 CFBr3 fluorotribromomethane cfbr3  
876 CFClBrI fluorochlorobromoiodomethane cfclbri  
877 CBr3Cl tribromochloromethane cbr3cl  
878 CF2I2 difluorodiiodomethane cf2i2  
879 CCl2I2 dichlorodiiodomethane ccl2i2  
880 SiBr4 Silicon tetrabromide sibr4  
881 CBr3I tribromoiododmethane cbr3i  
882 GeBr4 Germanium tetrabromide gebr4  
883 CI4 tetraiodomethane ci4  
884 SiI4 silicon tetraiodide sii4  
885 ClOF3 Chlorine trifluoride oxide clof3  
886 SeF4 Selenium tetrafluoride sef4  
887 SCl4 Sulfur tetrachloride scl4  
888 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
889 HClO4 perchloric acid hclo4  
890 CF3OH trifluoromethanol cf3oh  
891 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
892 CHClCCHCl 1,3-dichloroallene chclcchcl  
893 CHCl2CCH 3,3-dichloropropyne chcl2cch  
894 CHCl2CHO dichloroacetaldehyde chcl2cho  
895 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
896 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
897 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
898 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
899 SiCl3CH3 methyltrichlorosilane sicl3ch3  
900 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
901 NH3BCl3 Amminetrichloroboron nh3bcl3  
902 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
903 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
904 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
905 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
906 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
907 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
908 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
909 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
910 C4H9F 1-fluorobutane butaf1  
911 CH3CHFCH2CH3 2-fluorobutane butaf2  
912 XeF4 Xenon tetrafluoride xef4  
913 C2H2N2O Furazan furazan  
914 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
915 NH3BF3 Amminetrifluoroboron nh3bf3  
916 C6H2 hexatriyne c6h2  
917 C6H5- phenyl anion phenyl-  
918 C6H6 Prismane prismane  
919 C6H6 1,2,4,5-Hexatetraene ht1245  
920 C6H6 2,4-Hexadiyne hexadiyne  
921 C6H6 3,4-Dimethylenecyclobutene cb34m  
922 C6H6 Benzvalene bv  
923 C6H6 Dewar Benzene dewar  
924 C6H6 Hexa-1,5-diene-3-yne hdy153  
925 C6H6 Trimethylenecycopropane tmcp  
926 C6H6+ Benzene cation c6h6+  
927 C6H7+ benzene, protonated c6h7+  
928 C6H8 1,3-Cyclohexadiene cyhexadiene13  
929 C6H10 1,5-Hexadiene c592427  
930 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
931 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
932 C6H12 (E)-2-Hexene e2hexene  
933 C6H12 (E)-hex-3-ene e3hexene  
934 C6H12 (Z)-hex-2-ene z2hexene  
935 C6H12 (Z)-hex-3-ene z3hexene  
936 C6H12 2,3-dimethylbut-1-ene c563780  
937 C6H12 2,3-dimethyl-but-2-ene tmeet  
938 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
939 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
940 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
941 C4H2N2 Fumaronitrile c4h2n2  
942 C5H5N E-2,4-pentadienenitrile bdcn  
943 C5H6N+ Pyridinium c5h6n  
944 C6H10 Bicyclo[3.1.0]hexane c285585  
945 Li2CO3 Lithium Carbonate li2co3  
946 Na2CO3 Sodium Carbonate na2co3  
947 MgSO4 Magnesium Sulfate mgso4  
948 C3H2O3 vinylene carbonate vica  
949 C2H2O4 Oxalic Acid oxalic  
950 C4H4O2 2(5H)-Furanone furanone  
951 C2H4N2S2 Ethanedithioamide c79403  
952 C2H4CO3 Ethylene carbonate etco3  
953 C2H4O4 Formic acid dimer fadimer  
954 C2H5NO3 Nitric acid, ethyl ester c625581  
955 C5H6O 2H-Pyran pyran2  
956 C5H6O 2-methylfuran furan2m  
957 C5H6O 3-Methylfuran furan3m  
958 C5H6O Pentadienal pdal  
959 C4H6O2 γ–Butyrolactone c96480  
960 C4H6O2 Crotonic Acid crot  
961 C3H6S3 1,3,5-Trithiane c3h6s3  
962 C4H7NO Ethoxyacetonitrile etoaccn  
963 HCONH2CN2H4 formamide aminomethanimine dimer d13  
964 C3H7ONO Propyl nitrite prono  
965 C5H8O Cyclopentanone c120923  
966 C5H8O Methyl cyclopropyl ketone c765435  
967 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
968 C4H8O2 Ethyl acetate c141786  
969 C5H10O 2-methylbutyraldehyde 2meba  
970 C5H12S 2-Butanethiol, 2-methyl- c1679090  
971 C4F2 difluorobutadiyne c4f2  
972 ClCOClCO Oxalyl chloride oxcl  
973 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
974 C2F4+ Tetrafluoroethylene cation c2f4+  
975 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
976 CF2CCl2 difluorodichloroethylene cf2ccl2  
977 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
978 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
979 C2FCl3 fluorotrichloroethene c2fcl3  
980 C2Br4 tetrabromoethene c2br4  
981 SiF5- silicon pentafluoride anion sif5-  
982 SOF4 Sulfur tetrafluoride oxide sof4  
983 SF5 Sulfur pentafluoride sf5  
984 SF5+ pentafluoro sulfur cation sf5+  
985 SbCl5 Antimony pentachloride sbcl5  
986 IF5 pentafluoroiodine if5  
987 CF3CHO trifluoroacetaldehyde cf3cho  
988 CCl3CHO trichloroacetaldehyde ccl3cho  
989 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
990 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
991 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
992 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
993 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
994 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
995 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
996 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
997 CF3COOH trifluoroacetic acid cf3cooh  
998 C4H3ClO Furan, 2-chloro fur2cl  
999 C4H3ClO Furan,3-chloro fur3cl  
1000 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1001 C4H8O2 Butanoic acid bua  
1002 C7H7 cycloheptatrienyl radical c7h7  
1003 C7H7+ cycloheptatrienyl cation c7h7+  
1004 C7H8 cycloheptatriene cht  
1005 C7H8 Quadricyclane qucy  
1006 C7H14 cycloheptane c7h14  
1007 C7H16 2-methylhexane 2mhex  
1008 C7H16 3-methylhexane hex3m  
1009 CH(CN)3 tricyanomethane mecn3  
1010 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1011 C6H7N 2-Methylpyridine mp  
1012 C6H13N cyclohexanamine cham  
1013 C6H15N triethylamine tea  
1014 C4H2O3 Maleic Anhydride malan  
1015 C6H5O phenoxy radical phenoxy  
1016 C6H6O 2,4-Cyclohexadienone c24599573  
1017 C6H6O 2,5-Cyclohexadienone c5664335  
1018 C6H5SH Benzenethiol phsh  
1019 HO2CCHNH2CH2OH Serine serine  
1020 C5H8O2 Acetylacetone acac  
1021 C4H8O2S Sulfolane sulfolane  
1022 C7H10 Norbornene norbornene  
1023 CH(C2H3)3 trivinyl methane tvm  
1024 C6H12O hexanal c6h12o  
1025 C6H12O Oxepane oxepane  
1026 C3H7OC3H7 di-n-propyl ether propr  
1027 F2CCCF2 tetrafluoroallene pfa  
1028 CF3COO- trifluoro acetate anion cf3coo-  
1029 CF3COF trifluoroacetyl fluoride cf3cof  
1030 CF3COCl trifluoroacetyl chloride cf3cocl  
1031 PF6 Hexafluorophosphate neutral pf6  
1032 PF6- Hexafluorophosphate ion pf6-  
1033 SeF6 Selenium hexafluoride sef6  
1034 SF5Cl sulfur chloropentafluoride sf5cl  
1035 CF3CHF2 pentafluoroethane cf3chf2  
1036 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1037 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1038 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1039 CCl3CHCl2 pentachloroethane ccl3chcl2  
1040 C8H6 Calicene calicene  
1041 C8H6 benzocyclobutadiene bcbd  
1042 C8H6 Pentalene pentalene  
1043 CH3C6H4CH3 meta-xylene mxylene  
1044 CH3C6H4CH3 paraxylene pxylene  
1045 C8H16 cyclooctane cyclooct  
1046 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1047 C4O4-- squarate dianion c4o4--  
1048 S4N4 Tetrasulfur tetranitride s4n4  
1049 C4H4N2O2 Uracil uracil  
1050 C5H9NO2 Proline proline  
1051 C4F4 tetrafluorcyclobutadiene c4f4  
1052 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1053 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1054 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1055 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1056 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1057 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1058 C2F6 hexafluoroethane c2f6  
1059 C2Cl6 hexachloroethane c2cl6  
1060 IF7 Iodine heptafluoride if7  
1061 C6H4F2 metadifluorobenzene mdfb  
1062 C6H4Cl2 1,2-dichlorobenzene dcb12  
1063 C6H4Cl2 1,3-dichlorobenzene dcb13  
1064 C6H4Cl2 1,4-dichlorobenzene dcb14  
1065 C6H5NO nitrosobenzene bzno  
1066 C9H8 Indene indene  
1067 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1068 C9H12 n-propyl benzene prbz  
1069 C9H20 Nonane nonane  
1070 C(CN)4 tetracyanomethane c5n4  
1071 C5H4N4 purine purine  
1072 C8H7N Indole indole  
1073 C3H3N3O3 cyanuric acid cyanuric  
1074 CH3COC6H5 acetophenone acph  
1075 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1076 C3F6 hexafluoropropene c3f6  
1077 C6H3F3 Benzene trifluoride 123 bzf3a  
1078 C8H18O 1-Octanol octanol  
1079 C10H8 Azulene azu  
1080 C10H10 bullvalene bullv  
1081 C6N4 Tetracyanoethylene tcne  
1082 C6N4- tetracyanoethylene anion tcne-  
1083 C10H22 Decane decane  
1084 C4F6 perfluorobutadiene c4f6  
1085 C3F8 perfluoropropane c3f8  
1086 Fe(CO)5 Iron pentacarbonyl ipc  
1087 Fe(C5H5)2 ferrocene fecp2  
1088 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1089 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1090 C12H8 Acenaphthylene acenaph  
1091 C12H8 biphenylene biph  
1092 C12H10 biphenyl biphenyl  
1093 C12H10 Heptalene heptalene  
1094 C6H12O6 Inositol inositol  
1095 C6F6 hexafluorobenzene c6f6  
1096 S2F10 disulphur decafluoride s2f10  
1097 C13H10 Fluorene fluorene  
1098 C14H10 Anthracene anth  
1099 C14H10 Phenanthrene phenanthrene  
1100 C14H14 Bibenzyl bibenzyl  
1101 C12H10N2 azobenzene azobenzene  
1102 C6H5COC6H5 benzophenone benzophenone  
1103 C16H10 Pyrene pyrene  
1104 C18H12 Tetracene tetracene  
1105 C19H16 Triphenylmethane tpm  
1106 C24H12 Coronene coronene  
1107 C60 Buckminsterfullerene c60