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List of which calculations are completed at MP2 /cc-pV(T+d)Z

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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 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Na Sodium atom 2SKh
14 Na+ Sodium atom cation 1SKh
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 BH2 boron dihydride 2A1C2v
38 AlH2 aluminum dihydride 2A1C2v
39 BH3 boron trihydride 1A1'D3h
40 AlH3 aluminum trihydride 1A1'D3h
41 BH4- borohydride anion 1A1Td
42 AlH4- Aluminum tetrahydride anion 1A1Td
43 C Carbon atom 3P0Kh
44 Si Silicon atom 3PKh
45 CH Methylidyne 2Π1/2C∞v
46 CH- methylidyne anion 3ΣC∞v
47 CH+ Methylidyne cation 1ΣC∞v
48 SiH Silylidyne 2ΠC∞v
49 CH2 Methylene 3B1C2v
50 CH2 Methylene 1A1C2v
51 CH2- methylene anion 2B1C2v
52 CH2+ methylene cation 2A1C2v
53 SiH2 silicon dihydride 1A1C2v
54 SiH2 silicon dihydride 3B1C2v
55 CH3 Methyl radical 2A1D3h
56 CH3- methyl anion 1A1C3v
57 CH3+ methyl cation 1A1'D3h
58 SiH3 Silyl radical 2A1C3v
59 SiH3+ Silyl cation 1A1'D3h
60 CH4 Methane 1A1Td
61 SiH4 Silane 1A1Td
62 P Phosphorus atom 4SKh
63 NH Imidogen 3Σ-C∞v
64 NH Imidogen 1Σ+C∞v
65 NH- Imidogen anion 2ΠC∞v
66 NH+ imidogen cation 2ΠC∞v
67 PH phosphorus monohydride 3Σ-C∞v
68 PH phosphorus monohydride 1ΔC∞v
69 ND2 Amidogen-d2 2B1C2v
70 NH2 Amino radical 2B1C2v
71 NH2- amino anion 1A1C2v
72 PH2 Phosphino radical 2B1C2v
73 ND3 Ammonia-d3 1A1C3v
74 NH3 Ammonia 1A1C3v
75 NH3+ ammonia cation 2A2"D3h
76 PH3 Phosphine 1A1C3v
77 NH4+ ammonium cation 1A1Td
78 PH4+ phosphonium cation   
79 O Oxygen atom 3SKh
80 S Sulfur atom 3PKh
81 DO Hydroxyl-d 2ΠC∞v
82 OH Hydroxyl radical 2ΠC∞v
83 OH- hydroxide anion 1ΣC∞v
84 OH+ hydoxyl cation 3ΣC∞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 D2O Deuterium oxide 1A1C2v
91 H2O Water 1A1C2v
92 H2O- water anion 2A1C2v
93 H2O- water anion 2A'Cs
94 H2O+ water cation 2B1C2v
95 HDO Water-d1 1A1C2v
96 D2S Hydrogen sulfide-d2 1A1C2v
97 H2S Hydrogen sulfide 1A1C2v
98 H2S+ Hydrogen sulfide cation 2B1C2v
99 H3O+ hydronium cation 1A1C3v
100 H3S+ Sulfonium cation 1A1C3v
101 F Fluorine atom 2PKh
102 Cl Chlorine atom 2PKh
103 DF Hydrofluoric acid-d 1ΣC∞v
104 HF Hydrogen fluoride 1ΣC∞v
105 HF- hydrogen fluoride anion 2ΣC∞v
106 HF+ hydrogen fluoride cation 2ΠC∞v
107 HCl Hydrogen chloride 1ΣC∞v
108 HCl- hydrogen chloride anion 2ΣC∞v
109 HCl+ hydrogen chloride cation 2ΠC∞v
110 H2F+ dihydrogen fluoride cation 1A1C2v
111 H2Cl+ dihydrogen monochloride cation 1A1C2v
112 Ne Neon atom 1SKh
113 NeH+ neon hydrogen cation 1ΣC∞v
114 Li2 Lithium diatomic 1ΣgD∞v
115 Li2- lithium diatomic anion 2ΣuD∞h
116 Li2+ lithium diatomic cation 2ΣgD∞h
117 NaLi lithium sodium 1ΣC∞v
118 NaLi- lithium sodium anion 2ΣC∞v
119 NaLi+ lithium sodium cation 2ΣC∞v
120 Na2 Sodium diatomic 1ΣgD∞h
121 Na2- sodium diatomic anion 2ΣuD∞h
122 Na2+ sodium diatomic cation 2ΣgD∞h
123 Be2- Beryllium diatomic anion 2ΠuD∞h
124 Be2+ Beryllium diatomic cation 2ΣuD∞h
125 Mg2 Magnesium diatomic 1ΣgD∞h
126 Mg2- magnesium diatomic anion 2ΠUD∞h
127 Mg2+ magnesium diatomic cation 2ΣuD∞h
128 B2 Boron diatomic 3ΣgD∞h
129 B2 Boron diatomic 1ΣgD∞h
130 B2 Boron diatomic 5ΣuD∞h
131 B2- Boron diatomic anion 4ΣgD∞h
132 BAl Boron Aluminum 3ΣC∞v
133 B2H6 Diborane 1AgD2h
134 BC- boron monocarbide anion 1Σg+C∞v
135 BC+ boron monocarbide cation 3ΣC∞v
136 BC+ boron monocarbide cation 1ΣC∞v
137 AlC Aluminum carbide 4ΣC∞v
138 C2 Carbon diatomic 1Σg+D∞h
139 C2 Carbon diatomic 3ΠuD∞h
140 C2- carbon diatomic anion 2ΣgD∞h
141 C2+ carbon diatomic cation 2ΠD∞h
142 SiC silicon monocarbide 3ΣC∞v
143 SiC silicon monocarbide 1ΣC∞v
144 Si2 Silicon diatomic 3ΣgD∞h
145 C2H Ethynyl radical 2ΣC∞v
146 C2H2 Acetylene 1ΣgD∞h
147 C2H2+ acetylene cation 2ΠuD∞h
148 CCH2 vinylidene 1A1C2v
149 C2H3 vinyl 2A'Cs
150 C2H4 Ethylene 1AgD2h
151 C2H5 Ethyl radical 2A'Cs
152 C2H6 Ethane 1A1gD3d
153 CH3SiH3 methyl silane 1A1C3
154 Si2H6 disilane 1EuD3d
155 BeN- Beryllium mononitride anion 1ΣC∞v
156 BN- boron nitride anion 2ΣC∞v
157 BN boron nitride 3ΠC∞v
158 BN boron nitride 1ΣC∞v
159 BN+ boron nitride cation 2ΠC∞v
160 AlN Aluminum nitride 3ΠiC∞v
161 CN Cyano radical 2ΣC∞v
162 CN- cyanide anion 1ΣC∞v
163 CN+ Cyano cation 1ΣC∞v
164 CP Carbon monophosphide 2ΣC∞v
165 SiN Silicon nitride 2ΣC∞v
166 SiP Silicon monophosphide 2ΠC∞v
167 N2 Nitrogen diatomic 1ΣgD∞h
168 N2- nitrogen diatomic anion 2ΠgD∞h
169 N2+ diatomic nitrogen cation 2ΣgD∞h
170 PN Phosphorus mononitride 1ΣC∞v
171 P2 Phosphorus diatomic 1ΣgD∞h
172 HNC hydrogen isocyanide 1ΣC∞v
173 HCN Hydrogen cyanide 1ΣC∞v
174 HCN+ hydrogen cyanide cation 2ΠC∞v
175 HCP Phosphaethyne 1ΣC∞v
176 HPO Hydrogen phosphorus oxide 1A'Cs
177 N2H2 (E)-diazene 1AgC2h
178 CH2NH Methanimine 1A'Cs
179 CH2PH Phosphaethene 1A'Cs
180 CH2NH2+ methyleneamine cation 1A1C2v
181 N2H4 Hydrazine 1AC2
182 P2H4 Diphosphine 1AC2
183 CH3NH2 methyl amine 1A'Cs
184 BH3PH3 borane phosphine   
185 LiO lithium oxide 2ΣC∞v
186 LiO- lithium oxide anion 1ΣC∞v
187 LiO+ lithium oxide cation 3ΣC∞v
188 LiO+ lithium oxide cation 1ΣC∞v
189 LiS Lithium monosulfide 2ΠC∞v
190 NaO sodium monoxide 2ΣC∞v
191 NaO- sodium oxide anion 1ΣC∞v
192 NaO+ sodium oxide cation 3ΣC∞v
193 BeO beryllium oxide 1ΣC∞v
194 BeO- Beryllium monoxide anion 2ΣC∞v
195 BeO+ Beryllium monoxide cation 2ΠC∞v
196 BeS beryllium sulfide 1ΣC∞v
197 MgO magnesium oxide 1Σ+C∞v
198 MgO- magnesium oxide anion 2ΣC∞v
199 MgO+ magnesium oxide cation 2ΠC∞v
200 MgS magnesium sulfide 1ΣC∞v
201 CaS Calcium sulfide 1ΣC∞v
202 BO boron monoxide 2ΣC∞v
203 BO- boron monoxide anion 1ΣC∞v
204 AlO Aluminum monoxide 2ΣC∞v
205 BS boron sulfide 2ΣC∞v
206 AlS Aluminum sulfide 2ΣC∞v
207 BO+ boron monoxide cation 1ΣC∞v
208 CO Carbon monoxide 1ΣC∞v
209 CO- carbon monoxide anion 2ΠC∞v
210 CO+ carbon monoxide cation 2ΣC∞v
211 CS carbon monosulfide 1ΣC∞v
212 SiO Silicon monoxide 1ΣC∞v
213 SiS silicon monosulfide 1ΣC∞v
214 GeO Germanium monoxide 1ΣC∞v
215 SiSe Silicon Monoselenide   
216 NO Nitric oxide 2ΠC∞v
217 NO- nitric oxide anion 3ΣC∞v
218 NO- nitric oxide anion 1ΔC∞v
219 NO+ nitric oxide cation 1ΣC∞v
220 NS Mononitrogen monosulfide 2ΠC∞v
221 PO Phosphorus monoxide 2ΠC∞v
222 PS phosphorus sulfide 2ΣC∞v
223 O2 Oxygen diatomic 3ΣgD∞h
224 O2- oxygen diatomic anion 2ΠD∞h
225 O2+ diatomic oxygen cation 2ΠgD∞h
226 SO Sulfur monoxide 3ΣC∞v
227 SO Sulfur monoxide 1ΣC∞v
228 SO+ sulfur monoxide cation 2ΠC∞v
229 S2 Sulfur diatomic 3ΣgD∞h
230 S2+ sulfur diatomic cation 2ΠD∞h
231 Se2 Selenium diatomic 3ΣgD∞h
232 LiOH lithium hydroxide 1ΣC∞v
233 NaOH sodium hydroxide 1ΣC∞v
234 BeOH beryllium monohydroxide 2A'Cs
235 MgOH magnesium hydroxide 2A'Cs
236 HBO Boron hydride oxide 1ΣC∞v
237 HBS hydrogen boron sulfide 1ΣC∞v
238 HCO Formyl radical 2A'Cs
239 HCS Thioformyl radical 2A'Cs
240 HNO Nitrosyl hydride 1A'Cs
241 HO2 Hydroperoxy radical 2A"Cs
242 HSO+ Sulfur Monoxide, S-protonated   
243 SOH Sulfur Hydroxide   
244 SOH+ Sulfur Monoxide, protonated   
245 H2CO Formaldehyde 1A1C2v
246 H2CO+ formaldehyde cation 2B2C2v
247 H2CS Thioformaldehyde 1A1C2v
248 H2CSe Selenoformaldehyde   
249 H2O2 Hydrogen peroxide 1AC2
250 H2S2 Disulfane 1AC2
251 H2S2+ hydrogen disulfide cation 2BgC2h
252 CH2OH Hydroxymethyl radical 2AC1
253 CH2OH+ hydroxymethyl cation 1A'Cs
254 CH3O Methoxy radical 2A'C1
255 CH3S thiomethoxy 2A'C3v
256 H2CSH+ Thioformaldehyde, protonated 1A'Cs
257 NH2OH hydroxylamine 1A'Cs
258 H2POH Phosphinous acid 1A1'CS trans
259 H2POH Phosphinous acid 1A1'CS cis
260 H3PO Phosphine oxide 1A1C3v
261 CH3OH Methyl alcohol 1A'Cs
262 CH3SH Methanethiol 1A'Cs
263 H2OH2O water dimer 1A'Cs
264 CH3SH2+ protonated methylsulfide 1A'Cs
265 LiF lithium fluoride 1ΣC∞v
266 LiCl lithium chloride 1ΣC∞v
267 LiCl- lithium chloride anion 2ΣC∞v
268 LiCl+ lithium chloride cation 2ΠC∞v
269 NaF sodium fluoride 1ΣC∞v
270 NaF- sodium fluoride anion 2ΣC∞v
271 NaF+ sodium fluoride cation 2ΣC∞v
272 NaCl Sodium Chloride 1ΣC∞v
273 NaCl- sodium chloride anion 2ΣC∞v
274 NaCl+ sodium chloride cation 2ΠC∞v
275 LiF- lithium fluoride anion 2ΣC∞v
276 LiF+ lithium fluoride cation 2ΠC∞v
277 BeF Beryllium monofluoride 2ΣC∞v
278 BeF- Beryllium monofluoride anion 1ΣC∞v
279 BeF+ Beryllium monofluoride cation 1ΣC∞v
280 BeCl beryllium monochloride 2ΣC∞v
281 MgF Magnesium monofluoride 2ΣC∞v
282 MgF- magnesium fluoride anion 1ΣC∞v
283 MgF+ magnesium fluoride cation 1ΣC∞v
284 MgCl magnesium monochloride 2ΣC∞v
285 MgCl- magnesium monochloride anion 1ΣC∞v
286 MgCl+ magnesium monochloride cation 1ΣC∞v
287 BeCl- beryllium monochloride anion 1ΣC∞v
288 BeCl+ beryllium monochloride cation 1ΣC∞v
289 BF Boron monofluoride 1ΣC∞v
290 BF- Boron monofluoride anion 2ΠC∞v
291 BF+ Boron monofluoride cation 2ΣC∞v
292 AlF Aluminum monofluoride 1Σ+C∞v
293 BCl boron monochloride 1ΣC∞v
294 BCl- boron monochloride anion 2ΠC∞v
295 BCl+ boron monochloride cation 2ΣC∞v
296 AlCl Aluminum monochloride 1ΣC∞v
297 AlCl- aluminum monochloride anion 2ΠC∞v
298 AlCl+ aluminum monochloride cation 2ΣC∞v
299 CF Fluoromethylidyne 2ΠC∞v
300 CF- carbon monofluoride anion 3ΣC∞v
301 CF- carbon monofluoride anion 1ΣC∞v
302 CF+ carbon monofluoride cation 1ΣC∞v
303 CCl carbon monochloride 2ΠC∞v
304 CCl- carbon monochloride anion 3ΣC∞v
305 CCl+ carbon monochloride cation 1ΣC∞v
306 SiF silicon monofluoride 2ΠC∞v
307 SiF+ silicon monofluoride cation 1ΣC∞v
308 SiCl Clorosilylidyne 2ΠC∞v
309 SiCl- silicon monochloride anion 3ΣC∞v
310 SiCl+ silicon monochloride cation 1ΣC∞v
311 NF nitrogen fluoride 3ΣC∞v
312 NF nitrogen fluoride 1ΣC∞v
313 NF- nitrogen monofluorine anion 2ΠC∞v
314 NF+ nitrogen monofluoirde cation 2ΠC∞v
315 NCl nitrogen monochloride 3ΣC∞v
316 NCl- nitrogen monochloride anion 2ΠC∞v
317 NCl+ nitrogen monochloride cation 2ΠC∞v
318 PF phosphorus monofluoride 3ΣC∞v
319 PCl phosphorus chloride 3ΣC∞v
320 PCl- phosphorus monochloride anion 2ΠC∞v
321 PCl+ phosphorus monochloride cation 2ΠC∞v
322 FO Oxygen monofluoride 2ΠC∞v
323 FO- flourine oxide anion 1ΣC∞v
324 FO+ fluorine monoxide cation 3ΣC∞v
325 ClO Monochlorine monoxide 2ΠC∞v
326 ClO+ chlorine monoxide cation 3ΣC∞v
327 SF Monosulfur monofluoride 2ΠC∞v
328 SF+ sulfur monofluoride cation 3ΣC∞v
329 SCl sulfur monochloride 2ΠC∞v
330 SCl- sulfur monochloride anion 1ΣC∞v
331 SCl+ sulfur monochloride cation 3ΣgC∞v
332 SBr Sulfur monobromide radical   
333 F2 Fluorine diatomic 1ΣgD∞h
334 F2- flourine diatomic anion 2ΣuD∞h
335 F2+ flourine diatomic cation 2ΠgD∞h
336 ClF Chlorine monofluoride 1Σ+C∞v
337 ClF- clorine monofluoride anion 2ΣC∞v
338 ClF+ clorine monofluoride cation 2ΠC∞v
339 Cl2 Chlorine diatomic 1ΣgD∞h
340 Cl2- chlorine diatomic anion 2ΣuD∞h
341 Cl2+ chlorine diatomic cation 2ΠgD∞h
342 HCF Fluoromethylene 1A'Cs
343 HOF Hypofluorous acid 1A'Cs
344 HOCl hypochlorous acid 1A'Cs
345 CH2Cl chloromethyl radical 2A'Cs
346 H2F2 Hydrogen fluoride dimer 1AgCs
347 CH3F Methyl fluoride 1A1C3v
348 CH3Cl Methyl chloride 1A1C3v
349 SiH3F monofluorosilane 1A1C3v
350 SiH3Cl chlorosilane 1A1C1
351 C3 carbon trimer 1ΣgD∞h
352 C3H3 Propargyl radical 2B1Cs
353 CH2CCH2 allene 1A1D2d
354 CH3CCH propyne 1A'C3v
355 C3H6 Cyclopropane 1A1'D3h
356 CH2CHCH3 Propene 1A'Cs
357 C3H7 n-Propyl radical 2A"C1
358 C3H8 Propane 1A1C2v
359 SiH2(CH3)2 dimethylsilane 1A1C2v
360 Si3H8 trisilane   
361 HN3 hydrogen azide 1A'Cs
362 CH2NN diazomethane 1A1C2v
363 CH3CN Acetonitrile 1A1C3v
364 CH3NC methyl isocyanide 1A1C3v
365 NHCHNH2 aminomethanimine 1AC1
366 C2H5N Aziridine 1A'C1
367 CH3CH2NH2 Ethylamine 1A'Cs
368 CH3NHCH3 Dimethylamine 1A'Cs
369 Li2O dilithium oxide 1ΣgD∞h
370 Li2S dilithium sulfide 1ΣGD∞h
371 Li2S dilithium sulfide 1A1C2v
372 BO2 Boron dioxide 2A'D∞h
373 N2O Nitrous oxide 1ΣC∞v
374 NNS Nitrogen sulfide 1ΣC∞v
375 CO2 Carbon dioxide 1ΣgD∞h
376 OCS Carbonyl sulfide 1ΣC∞v
377 SiO2 silicon dioxide 1ΣgD∞h
378 CS2 Carbon disulfide 1ΣgD∞h
379 SiS2 Silicon disulfide 1ΣGD∞h
380 NO2 Nitrogen dioxide 2A1C2v
381 NSO sulfinyl amidogen   
382 PO2 Phosphorus dioxide 2A1C2v
383 SNO Nitrogen oxide sulfide   
384 O3 Ozone 1A1Cs
385 SO2 Sulfur dioxide 1A1C2v
386 SSO Disulfur monoxide 1A'Cs
387 S3 Sulfur trimer 1A1C2v
388 S3 Sulfur trimer   
389 S3- Sulfur trimer anion 2B1C2v
390 S3+ Sulfur trimer cation 2B2C2v
391 HCCO ketenyl radical 2A"Cs
392 HCNO fulminic acid 1ΣC∞v
393 HNCO Isocyanic acid 1A'Cs
394 HOCN cyanic acid 1A'Cs
395 HCO2- formate anion 1A1C2v
396 HOCO Hydrocarboxyl radical 1A'cis
397 HOCO Hydrocarboxyl radical 1A'trans
398 HNO2 Nitrous acid 1A'Cs
399 CH2CO Ketene 1A1C2v
400 HCCOH ethynol 1A'Cs
401 CH2CS Thioketene   
402 HCOOH Formic acid 1A'Cs
403 HSSSH trisulfane 1AC2
404 HSSSH trisulfane 1A'Cs
405 CH3CO Acetyl radical 2A'Cs
406 CHONH2 formamide 1A'Planar
407 CH3OO methylperoxy radical 2A"Cs
408 C2H4O Ethylene oxide 1A1C2v
409 CH2CHOH ethenol 1A'Cs
410 CH3CHO Acetaldehyde 1A'Cs
411 C2H4S Thiirane 1A1C2v
412 CH3CHS Thioacetaldehyde 1A'C1
413 CH3OOH Methyl peroxide 1AC1
414 CH3SSH Hydrogen methyl disulfide   
415 CH3CH2OH Ethanol 1A'Cs
416 CH3OCH3 Dimethyl ether 1A1C2v
417 CH3CH2SH ethanethiol 1A'Cs
418 CH3SCH3 Dimethyl sulfide 1A1C2v
419 FCN Cyanogen fluoride 1ΣC∞v
420 ClCN chlorocyanogen 1ΣC∞v
421 MgCl2 Magnesium dichloride 1ΣgC2v
422 FNO Nitrosyl fluoride 1A'Cs
423 ClNO Nitrosyl chloride 1A'Cs
424 FNS Thionitrosyl fluoride 1A'Cs
425 FSN Thiazyl fluoride 1A'Cs
426 OPCl Phosphorus oxychloride   
427 CF2 Difluoromethylene 1A1D∞h
428 CCl2 dichloromethylene 1A1C2v
429 SiCl2 Dichlorosilylene 1A1C2v
430 GeCl2 Germanium dichloride 1A1C2v
431 FOO Dioxygen monofluoride radical 2A"Cs
432 ClOO chloroperoxy radical 2A"Cs
433 OClO Chlorine dioxide 2B1D∞h
434 ClSO Sulfur chloride oxide 2A"Cs
435 ClS2 Sulfur chloride 2A"Cs
436 NF2 Difluoroamino radical 2B1C2v
437 FClO chlorosyl fluoride 1A'Cs
438 F2O Difluorine monoxide 1A1C2v
439 ClOF Chlorine hypofluorite 1A'Cs
440 SF2 sulfur difluoride 1A1C2v
441 Cl2O Dichlorine monoxide 1A1C2v
442 SCl2 Sulfur dichloride 1A1C2v
443 SeCl2 Selenium Dichloride   
444 SBr2 Sulfur dibromide   
445 SeBr2 Selenium dibromide   
446 HCCF Fluoroacetylene 1ΣC∞v
447 BHF2 Difluoroborane 1A1C2v
448 BHCl2 Borane, dichloro- 1A1C2v
449 CH2F2 Methane, difluoro- 1A1C2v
450 CH2FCl fluorochloromethane 1A'Cs
451 CH2Cl2 Methylene chloride 1A1C2v
452 SiH2Cl2 dichlorosilane 1A1C2v
453 CH2CHF Ethene, fluoro- 1A'Cs
454 C2H3Cl Ethene, chloro- 1A'Cs
455 C2H5F fluoroethane 1A'Cs
456 C4 Carbon tetramer 3ΣgD∞h
457 C4H2 Diacetylene 1ΣgD∞h
458 C2H3CCH 1-Buten-3-yne 1A'C1
459 H2CCCCH2 Butatriene 1AgD2h
460 C4H6 1-Methylcyclopropene 1AC1
461 C4H6 Cyclobutene 1A1C2v
462 C4H6 Methylenecyclopropane 1A1C2v
463 CH2CCHCH3 1,2-Butadiene 1A'C1
464 CH2CHCHCH2 1,3-Butadiene 1AgC2h
465 CH3CCCH3 2-Butyne 1A1'D3h
466 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
467 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
468 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
469 C(CH3)3 Tert-butyl radical 2A"C3v
470 CH2CH(CH3)2 Isobutyl radical 2A'C1
471 CH3CHCH2CH3 2-Butyl radical 1AC1
472 CH3CH(CH3)CH3 Isobutane 1A1C3v
473 CH3CH2CH2CH3 Butane 1AgAnti
474 SiH(CH3)3 trimethylsilane 1A1C3v
475 C2N2 Cyanogen 1ΣgD∞h
476 P4 Phosphorus tetramer 1A1Td
477 HCCCN Cyanoacetylene 1ΣC∞v
478 C3H3N acrylonitrile 1A'Cs
479 C3H7N Cyclopropylamine 1A'C1
480 C4H8 cyclobutane 1A1D2d
481 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
482 N(CH3)3 Trimethylamine 1A1C3v
483 B2O2 Diboron dioxide 1ΣgD∞h
484 S2N2 Disulfur dinitride 1AGD2h
485 CO3-- carbonate 1A1'D3h
486 CS3-- Carbonotrithioate   
487 NO3 Nitrogen trioxide 2A1'all bonds equal
488 SO3 Sulfur trioxide 1A1'D3h
489 S4 Sulfur tetramer   
490 S4 Sulfur tetramer   
491 S4 Sulfur tetramer   
492 HNO3 Nitric acid 1A'Cs
493 C2H2O2 Ethanedial 1AgC2h
494 CH3COO- acetate anion 1A'eclipsed
495 CH3NO2 Methane, nitro- 1A'Cs
496 CH3ONO Methyl nitrite 1A'C1
497 H3AlO3 Aluminum hydroxide   
498 C3H4O allenol 1A'Cs
499 C3H4O Cyclopropanone 1A1C2v
500 CH2CHCHO Acrolein 1A'Cs
501 NH2CONH2 Urea 1AC2
502 NH2CSNH2 Thiourea 1AC2
503 CH3COOH Acetic acid 1A'Cs
504 CH3OCHO methyl formate 1A'Cs
505 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
506 CH3CHNOH Acetaldoxime 1A'CS trans
507 CH3CONH2 Acetamide 1A'C1
508 CH3CSNH2 Ethanethioamide   
509 C3H6O Propylene oxide 1AC1
510 CH3CH2CHO Propanal 1A'Cs
511 CH3COCH3 Acetone 1A1C2v
512 C3H6S Thietane 1A'Cs
513 C2H6O2 1,2-Ethanediol 1AgC2h
514 CH3SSCH3 Disulfide, dimethyl 1AC2
515 CH3CHOHCH3 Isopropyl alcohol 1AC1
516 CH3OC2H5 Ethane, methoxy- 1A'Cs
517 C2F2 difluoroacetylene 1ΣgD∞h
518 C2Cl2 dichloroacetylene 1ΣgC2h
519 ClNO2 Nitryl chloride 1A1C2v
520 N2F2 (Z)-Difluorodiazene 1A1C2v
521 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
522 CF2O Carbonic difluoride 1A1C2v
523 CCl2O Phosgene 1A1C2v
524 Cl2CS Thiophosgene 1A1C2v
525 BF3 Borane, trifluoro- 1A'D3h
526 AlF3 Aluminum trifluoride 1A1'D3h
527 AlF2Cl Aluminum chloride difluoride 1A1C2v
528 AlFCl2 Aluminum dichloride fluoride 1A1C2v
529 BCl3 Borane, trichloro- 1A1'D3h
530 AlCl3 Aluminum trichloride 1A1'D3h
531 ClO3- chlorate anion 1A1C3v
532 CF3 Trifluoromethyl radical 2A1C3v
533 SiF3 Silicon trifluoride radical 2A1C3v
534 SiCl3 trichlorosilyl radical 2A1C3v
535 SiCl3+ trichlorosilyl cation 1A1'D3h
536 ClO2F Chloryl fluoride 1A'Cs
537 F2SO Thionyl Fluoride 1A'Cs
538 FSSF Difluorodisulfane 1AC2
539 S2F2 Thio-thionyl fluoride 1A'Cs
540 SOCl2 thionyl chloride 1A'Cs
541 SSCl2 Thiothionyl chloride   
542 NF3 Nitrogen trifluoride 1A1C3v
543 PF3 Phosphorus trifluoride 1A1C3v
544 NCl3 nitrogen trichloride 1A1C3v
545 PCl3 Phosphorus trichloride 1A1C3v
546 ClSSCl Disulfur dichloride 1AC2
547 SF3 Sulfur trifluoride 2A'Cs
548 ClF3 Chlorine trifluoride 1A1'D3h
549 ClF3 Chlorine trifluoride 1A1C2v
550 HClO3 Chloric Acid 1AC1
551 CHF3 Methane, trifluoro- 1A1C3v
552 CHF2Cl difluorochloromethane 1A'Cs
553 CHFCl2 fluorodichloromethane 1A'Cs
554 CHCl3 Chloroform 1A1C3v
555 SiHCl3 Trichlorosilane 1A1C3v
556 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
557 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
558 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
559 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
560 CH3COF Acetyl fluoride 1A'NULL
561 CH3COCl Acetyl Chloride 1A'Cs
562 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
563 C5H5- cylopentadienyl anion 1A1'D5h
564 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
565 C5H6 Cyclopropylacetylene 1A'C1
566 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
567 C5H8 1,4-Pentadiene 1AC2
568 C5H8 Cyclobutane, methylene- 1A'Cs
569 C5H8 Cyclopentene 1A'Cs
570 CH2CHCH2CH2CH3 1-pentene 1AC1
571 C5H12 Butane, 2-methyl- 1AC1
572 C5H12 Pentane 1A1C2v
573 C5H12 Propane, 2,2-dimethyl- 1A1Td
574 Si(CH3)4 tetramethylsilane 1A1Td
575 N2O3 Dinitrogen trioxide 1A'Cs
576 C3H2N2 Malononitrile 1A1Cs
577 C3H4N2 1H-Imidazole 1A'Cs
578 C3H4N2 1H-Pyrazole 1A'Cs
579 C4H5N (E)-2-Butenenitrile 1A'Cs
580 C4H5N (Z)-2-Butenenitrile 1A'Cs
581 C4H5N Cyclopropanecarbonitrile 1A'Cs
582 C4H5N Pyrrole 1A1C2v
583 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
584 C4H9N Cyclobutylamine 1A'Cs
585 C4H9N Pyrrolidine 1A'Cs
586 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
587 C3O2 Carbon suboxide 1ΣGD∞h
588 PO4--- phosphate 1A1Td
589 SO4-- sulfate 1A1Td
590 H2SO4 Sulfuric acid 1AC1
591 C3H3NO Isoxazole 1A'Cs
592 CH3NO3 Methyl nitrate 1A'Cs
593 C4H4O Furan 1A1C2
594 C4H4S Thiophene 1A1C2v
595 C3H4O2 β–Propiolactone 1A'Cs
596 C3H4O2 2-Propenoic acid 1A'Cs
597 C3H4O2 propanedial 1AC1
598 C3H4O2 propenalol 1A'Cs
599 CH2CHCONH2 Acrylamide 1ACs
600 CH3OCH2CN Methoxyacetonitrile 1AC1
601 H2NCH2COOH Glycine 1A'Cs
602 C4H6O cis-2-butenal 1ACs
603 C4H6O Cyclobutanone 1A1C2v
604 C4H6O Furan, 2,3-dihydro- 1AC1
605 C4H6O Furan, 2,5-dihydro- 1A1Cs
606 CHOCHCHCH3 2-Butenal 1A'Cs
607 C3H6O2 1,3-Dioxolane 1AC1
608 CH3COOCH3 methyl acetate 1A'Cs
609 C2H6O2S Dimethyl sulfone 1A1C2v
610 C3H7NO Propanamide 1A'C1
611 C4H8O Cyclobutanol 1A'C1
612 CH3COCH2CH3 2-Butanone 1AC1
613 CHOCH2CH2CH3 Butanal 1A'Cs
614 C4H10O 2-Butanol, (.+/-.)- 1AC1
615 C4H10O Ethoxy ethane 1A1C2v
616 FNO3 Fluorine nitrate 1A'Cs
617 ClO4- perchlorate anion 1A1Td
618 BF4- tetrafluoroboron anion 1A1Td
619 ClFO3 Perchloryl fluoride 1A1Cs
620 SO2Cl2 Sulfuryl chloride 1A1C2v
621 F3NO Nitrogen trifluoride oxide 1A1C3v
622 F3PO Phosphoryl fluoride 1A1C3v
623 Cl3PO Phosphoryl chloride 1A1C3v
624 CF4 Carbon tetrafluoride 1A1Td
625 CF3Cl Methane, chlorotrifluoro- 1A1C3v
626 SiF4 Silicon tetrafluoride 1A1Td
627 CF2Cl2 difluorodichloromethane 1A1C2v
628 CFCl3 Trichloromonofluoromethane 1A1C3v
629 CCl4 Carbon tetrachloride 1A1Td
630 SiCl4 Silane, tetrachloro- 1A1Td
631 SF4 Sulfur tetrafluoride 1A1C2v
632 CHClCCl2 Trichloroethylene 1A'Cs
633 HClO4 perchloric acid 1ACs
634 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
635 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
636 SiH3CCl3 (trichloromethyl)silane 1A1C3v
637 C6H5 phenyl 2A1C2v
638 C6H6 Benzene 1A1gD6h
639 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
640 C6H10 cyclohexene 1AC2
641 C6H14 Butane, 2,3-dimethyl- 1AgC2h
642 C4N2 2-Butynedinitrile 1ΣgD∞h
643 C3H3N3 1,3,5-Triazine 1A1'D3h
644 CH3N5 5-Aminotetrazole 1AC1
645 C4H4N2 1,3-Diazine 1A1C2v
646 C4H4N2 Pyrazine 1AgD2h
647 C4H4N2 Pyridazine 1A1C2v
648 C4H4N2 Succinonitrile 1AgC2h
649 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
650 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
651 C5H5N Pyridine 1A1C2v
652 C6H6 Fulvene 1A1C2v
653 N2O4 Dinitrogen tetroxide 1AgD2d
654 C2H3NO3 Oxamic acid 1A'H out
655 C2H4N2O2 Oxalamide 1AgC2h
656 C3H6O3 1,3,5-Trioxane 1A1C1
657 C4H7NO 2-Pyrrolidinone 1AC1
658 CH3CH(NH2)COOH Alanine 1AC1
659 CH3NHCH2COOH Sarcosine 1AC1
660 NH2CH2CH2COOH β–alanine 1AC1
661 C5H10O 2-Pentanone 1AC1
662 C4H10O2 1,3-Butanediol 1AC1
663 C4H10O2 1,4-Butanediol 1AgC2h
664 C5H12O Butane, 1-methoxy- 1A'Cs
665 CF3CN Acetonitrile, trifluoro- 1A1C3v
666 B2F4 Diboron tetrafluoride 1AGD2h
667 B2Cl4 Diboron tetrachloride 1A1D2
668 C2F4 Tetrafluoroethylene 1AgD2h
669 C2Cl4 Tetrachloroethylene 1AgD2h
670 CF3OF Trifluoromethylhypofluorite 1A'Cs
671 SiF5- silicon pentafluoride anion   
672 SOF4 Sulfur tetrafluoride oxide 1A1C2v
673 PF5 Phosphorus pentafluoride 1A1'D3h
674 PCl5 Phosphorus pentachloride 1A1'C4v
675 ClF5 chlorinepentafluoride 1A1C4v
676 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
677 C6H5CH2 benzyl radical 2B1Cs
678 C7H16 heptane 1A1C2v
679 C6H5NH2 aniline 1A'Cs
680 C6H5OH phenol 1A'Cs
681 C6H10O cyclohexanone 1A'Cs
682 PF6- Hexafluorophosphate ion 1A1GOh
683 SF6 Sulfur Hexafluoride 1A1GOh
684 SF5Cl sulfur chloropentafluoride 1A1C4v
685 C6H5F Fluorobenzene 1A1C2v
686 C6H5CCH phenylacetylene 1A1C2v
687 C6H5CHCH2 Styrene 1A'Cs
688 C8H8 cubane 1A1GOh
689 C8H8 cyclooctatetraene 1A1D2d
690 C6H5CH2CH3 Ethylbenzene 1A'Cs
691 S8 Octasulfur 1A1D4d
692 C6H5CHO benzaldehyde 1A'Cs
693 C6H5OCH3 Anisole 1A'Cs
694 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
695 C2F6 hexafluoroethane 1A1gD3d
696 C6H5COOH benzoic acid 1A'Cs
697 C10H8 naphthalene 1AgD2h

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 K Potassium atom k  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 KH Potassium hydride kh  
17 KH+ Potassium hydrogen cation kh+  
18 CuH Copper monohydride cuh  
19 Be- Beryllium atom anion be-  
20 Be+ Beryllium atom cation be+  
21 Mg- Magnesium atom anion mg-  
22 Mg+ Magnesium atom cation mg+  
23 Ca Calcium atom ca  
24 Ca- Calcium atom anion ca-  
25 Ca+ Calcium atom cation ca+  
26 Zn Zinc atom zn  
27 Zn- Zinc atom anion zn-  
28 Zn+ Zinc atom cation zn+  
29 CaH Calcium monohydride cah  
30 CaH+ Calcium monohydride cation cah+  
31 TiH Titanium monohydride tih  
32 ZnH Zinc monohydride znh  
33 ZnH+ Zinc, protonated znh+  
34 BeH2+ Beryllium dihydride cation beh2+  
35 CaH2 Calcium Hydride cah2  
36 ZnH2 Zinc hydride znh2  
37 B- Boron atom anion b-  
38 B+ Boron atom cation b+  
39 Al- Aluminum atom anion al-  
40 Al+ Aluminum atom cation al+  
41 Sc Scandium atom sc  
42 Sc+ Scandium cation sc+  
43 Ga Gallium atom ga  
44 Ga- Gallium atom anion ga-  
45 Ga+ Gallium atom cation ga+  
46 AlH- aluminum monohydride anion alh-  
47 AlH+ aluminum monohydride cation alh+  
48 ScH Scandium monohydride sch  
49 ScH+ Scandium monohydride cation sch+  
50 GaH Gallium monohydride gah  
51 GaH+ Gallium monohydride cation gah+  
52 BH2- boron dihydride anion bh2-  
53 BH2+ Boron dihydride cation bh2+  
54 AlH2- aluminum dihydride anion alh2-  
55 AlH2+ aluminum dihydride cation alh2+  
56 BH3- boron trihydride anion bh3-  
57 AlH3- aluminum trihydride anion alh3-  
58 AlH3+ aluminum trihydride cation alh3+  
59 ScH3 Scandium trihydride sch3  
60 GaH3 Gallium trihydride gah3  
61 BH4 borohydride bh4  
62 C- Carbon atom anion c-  
63 C+ Carbon atom cation c+  
64 Si- Silicon atom anion si-  
65 Si+ Silicon atom cation si+  
66 Ti Titanium atom ti  
67 Ti- Titanium atom anion ti-  
68 Ti+ Titanium atom cation ti+  
69 Ge Germanium atom ge  
70 Ge- Germanium anion ge-  
71 Ge+ Germanium cation ge+  
72 Sn Tin atom sn  
73 Sn+ Tin cation sn+  
74 SiH- silicon monohydride anion sih-  
75 SiH+ silicon monohydride cation sih+  
76 GeH germylidene geh  
77 GeH+ Germaniun monohyrdide cation geh+  
78 SiH2- silicon dihydride anion sih2-  
79 SiH2+ silicon dihydride cation sih2+  
80 GeH2 germylene geh2  
81 GeH2- germylene anion geh2-  
82 SiH3- Silyl anion sih3-  
83 GeH3 Germyl radical geh3  
84 GeH3+ germyl cation geh3+  
85 CD4 methane-d4 cd4  
86 CH2D2 methane-d2 ch2d2  
87 CH3D methane-d ch3d  
88 CH4- Methane anion ch4-  
89 CHD3 methane-d3 chd3  
90 SiH2D2 silane-d2 sih2d2  
91 SiH4+ Silane cation sih4+  
92 GeH4 Germane geh4  
93 SnH4 Stannane snh4  
94 SiH5+ Silane, protonated sih5+  
95 N Nitrogen atom n  
96 N- Nitrogen atom anion n-  
97 N+ Nitrogen atom cation n+  
98 P- Phosphorus atom anion p-  
99 P+ Phosphorus atom cation p+  
100 V Vanadium atom v  
101 V+ Vanadium atom cation v+  
102 As Arsenic atomic as  
103 As- Arsenic anion as-  
104 As+ Arsenic cation as+  
105 Sb Antimony atom sb  
106 PH- phosphorus monohydride anion ph-  
107 PH+ phosphorus monohydride cation ph+  
108 AsH Arsenic monohydride ash  
109 AsH+ Arsenic monohydride cation ash+  
110 SbH Antimony monohydride sbh  
111 NH2+ Amino cation nh2+  
112 PH2- Phosphino anion ph2-  
113 PH2+ Phosphino cation ph2+  
114 AsH2 Arsenic dihydride ash2  
115 AsH2+ Arsenic dihydride cation ash2+  
116 NH3- Ammonia anion nh3-  
117 PH3+ Phosphine cation ph3+  
118 AsH3 Arsine ash3  
119 AsH3+ Arsine cation ash3+  
120 SbH3 Stibine sbh3  
121 AsH4+ Arsonium ash4+  
122 NH4 Ammonium radical nh4  
123 PH4 Phosphoranyl radical ph4  
124 O- Oxygen atom anion o-  
125 O+ Oxygen atom cation o+  
126 S- Sulfur atom anion s-  
127 S+ Sulfur atom cation s+  
128 Cr Chromium atom cr  
129 Se Selenium atom se  
130 Se- Selenium atom anion se-  
131 Se+ Selenium atom cation se+  
132 Te Tellurium atom te  
133 Te+ Tellurium atom cation te+  
134 CrH Chromium hydride crh  
135 CrH+ Chromium hydride cation crh+  
136 HSe Selenium monohydride hse  
137 HSe- selenium monohydride anion hse-  
138 HSe+ selenium monohydride cation hse+  
139 TeH Telluryl radical teh  
140 H2S- Hydrogen sulfide anion h2s-  
141 H2Se Hydrogen selenide h2se  
142 H2Se+ Hydrogen selenide cation h2se+  
143 H2Te Hydrogen Telluride h2te  
144 H3Se+ Hydrogen Selenide, protonated h3se+  
145 F- Fluorine atom anion f-  
146 F+ Fluorine atom cation f+  
147 Cl- Chlorine atom anion cl-  
148 Cl+ Chlorine atom cation cl+  
149 Mn Manganese atom mn  
150 Br Bromine atom br  
151 Br- Bromine atom anion br-  
152 Br+ Bromine atom cation br+  
153 I Iodine atom iodine  
154 I- Iodine atom anion iodine-  
155 I+ Iodine atom cation iodine+  
156 DCl Hydrochloric acid-d dcl  
157 HBr hydrogen bromide hbr  
158 HBr- hydrogen bromide anion hbr-  
159 HBr+ hydrogen bromide cation hbr+  
160 HI Hydrogen iodide hi  
161 HI+ Hydrogen iodide cation hi+  
162 H2Br+ protonated hydrogen bromide h2br+  
163 H2I+ Iodonium h2i+  
164 Ne- Neon atom anion ne-  
165 Ne+ Neon atom cation ne+  
166 Ar Argon atom ar  
167 Ar- Argon atom anion ar-  
168 Ar+ Argon atom cation ar+  
169 Fe Iron atom fe  
170 Kr Krypton atom kr  
171 Kr+ Krypton cation kr+  
172 Xe Xenon atom xe  
173 HeLi+ Helium Lithium cation heli+  
174 NeH neon hydrogen neh  
175 ArH+ Argon hydride cation arh+  
176 KrH+ Protonated Krypton krh+  
177 XeH+ Xenon, protonated xeh+  
178 H2Ar H2 Ar dimer h2ar  
179 Co Cobalt atom cobalt  
180 Ni Nickel atom ni  
181 LiK Lithium Potassium lik  
182 NaK Sodium Potassium nak  
183 NaK+ Sodium Potassium diatomic cation nak+  
184 K2 Potassium diatomic k2  
185 Cu2 Copper diatomic cu2  
186 LiBe Lithium Beryllium libe  
187 LiMg Lithium magnesium limg  
188 NaBe Sodium Beryllium nabe  
189 NaMg Sodium Magnesium namg  
190 Be2 Beryllium diatomic be2  
191 BeMg Beryllium Magnesium bemg  
192 Ca2 Calcium diatomic ca2  
193 LiB Lithium boride lib  
194 LiAl Lithium Aluminum lial  
195 NaAl Sodium aluminum naal  
196 BeB Beryllium monoboride beb  
197 B2+ Boron diatomic cation b2+  
198 Al2 Aluminum diatomic al2  
199 Al2- aluminum diatomic anion al2-  
200 Al2+ aluminum diatomic cation al2+  
201 BGa Boron Gallium bga  
202 AlGa Aluminum Gallium alga  
203 Ga2 Gallium diatomic ga2  
204 HBBH Diborane(2) hbbh  
205 LiBH4 Lithium borohydride libh4  
206 B2H4 Diborane(4) D2d b2h4  
207 HBHHBH Diborane(4) C2V hbhhbh  
208 B2H6+ Diborane cation b2h6  
209 Al2H6 dialane al2h6  
210 Ga2H6 digallane ga2h6  
211 LiC Lithium Carbide lic  
212 BeC Beryllium Carbide bec  
213 CaC Calcium monocarbide cac  
214 BC boron monocarbide bc  
215 BC- boron monocarbide anion bc-  
216 BSi Boron silicide bsi  
217 C2+ carbon diatomic cation c2+  
218 SiC- silicon monocarbide anion sic-  
219 SiC+ silicon monocarbide cation sic+  
220 Si2- silcon diatomic anion si2-  
221 Si2+ silcon diatomic cation si2+  
222 GeC Germanium monocarbide gec  
223 SiGe Silicon Germanium sige  
224 Ge2 Germanium diatomic ge2  
225 ZnCH2 Zinc methylene znch2  
226 H2CC- vinylidene anion h2cc-  
227 HCCH- acetylene anion c2h2-  
228 Si2H2 disilyne si2h2  
229 CuCH3 monomethyl copper cuch3  
230 ZnCH3 Zinc monomethyl znch3  
231 CH2BH methyleneborane ch2bh  
232 C2H3- vinyl anion c2h3-  
233 CH2SiH2 silaethylene ch2sih2  
234 Si2H4 Disilene si2h4  
235 CH3BH2 methylborane ch3bh2  
236 C2H5- Ethyl anion c2h5-  
237 C2H5+ Ethyl cation c2h5+  
238 C2H6+ ethane cation c2h6+  
239 GeH3CH3 methyl germane geh3ch3  
240 C2H7+ Ethane, protonated c2h7+  
241 LiP Lithium monophosphide lip  
242 BeN Beryllium mononitride ben  
243 BeN+ Beryllium mononitride cation ben+  
244 MgN Magnesium Nitride mgn  
245 AlN- aluminum mononitride anion aln-  
246 AlN+ aluminum mononitride cation aln+  
247 BP Boron monophosphide bp  
248 AlP Aluminum monophosphide alp  
249 GaN Gallium mononitride gan  
250 GaP Gallium monophosphide gap  
251 GaAs Gallium arsenide gaas  
252 CP- carbon monophosphide anion cp-  
253 CP+ carbon monophosphide cation cp+  
254 SiN- silicon mononitride anion sin-  
255 SiN+ silicon mononitride cation sin+  
256 SiP- Silicon monophosphide anion sip-  
257 SiP+ Silicon monophosphide cation sip+  
258 TiN Titanium mononitride tin  
259 PN- phosphorus nitride anion pn-  
260 PN+ phosphorus nitride cation pn+  
261 P2- phosphorus diatomic anion p2-  
262 P2+ phosphorus diatomic cation p2+  
263 AsN Arsenic mononitride asn  
264 AsP Arsenic monophosphide asp  
265 SbN Antimony nitride sbn  
266 As2 Arsenic diatomic as2  
267 HCN- Hydrogen cyanide anion hcn-  
268 HNC+ hydrogen isocyanide cation hnc+  
269 HCP+ Phosphaethyne cation hcp+  
270 NNH Dinitrogen monohydride nnh  
271 NNH+ Dinitrogen monohydride cation nnh+  
272 HPO+ Hydrogen phosphorus oxide cation hpo+  
273 LiNH2 lithium amide linh2  
274 HBNH Boranimine hbnh  
275 CNH2 Aminomethylidyne radical cnh2  
276 CNH2+ N-protonated hydrogen isocyanide cnh2+  
277 H2CN Dihydrogen cyanide radical h2cn  
278 H2CN+ hydrocyanonium cation h2cn+  
279 HCNH methyleneazane hcnh  
280 HCNH+ N-protonated HCN hcnh+  
281 H2NN Isodiazene h2nn  
282 N2H2 (Z)-Diazene n2h2z  
283 N2H2+ trans-diazene cation n2h2+  
284 CH2NH+ Methanimine cation ch2nh+  
285 CHNH2 aminomethylene chnh2  
286 CHNH2+ Aminocarbene cation chnh2+  
287 BH2NH2 Boranamine bh2nh2  
288 N2H4+ hydrazine cation n2h4+  
289 CH3NH2+ methyl amine cation ch3nh2+  
290 CH3PH2 Methyl phosphine ch3ph2  
291 SiH3NH2 Silane, amino sih3nh2  
292 N2H5+ protonated hydrazine n2h5+  
293 CH3NH3 methyl ammonium radical ch3nh3  
294 CH3PH3+ methyl phosphine, protonated ch3ph3+  
295 NH3NH3 Ammonia Dimer nh3nh3  
296 N2H7+ ammonia ammonium dimer n2h7+  
297 LiS+ Lithium sulfide cation lis+  
298 KO Potassium monoxide ko  
299 KO+ Potassium monoxide cation ko+  
300 NaS Sodium sulfide nas  
301 CuO Copper Monoxide cuo  
302 LiSe Lithium monoselenide lise  
303 CaO Calcium monoxide cao  
304 MgS- magnesium sulfide anion mgs-  
305 MgS+ magnesium sulfide cation mgs+  
306 ZnO zinc monoxide zno  
307 ZnS Zinc sulfide zns  
308 BeS- Beryllium monosulfide anion bes-  
309 BeS+ Beryllium monosulfide cation bes+  
310 AlO- Aluminum monoxide anion alo-  
311 AlO+ aluminum monoxide cation alo+  
312 BS- boron monosulfide anion bs-  
313 BS+ boron monosulfide cation bs+  
314 AlS- aluminum monosulfide anion als-  
315 AlS+ aluminum monosulfide cation als+  
316 ScO Scandium monoxide sco  
317 GaO Gallium monoxide gao  
318 GaS Gallium monosulfide gas  
319 CS- carbon monosulfide anion cs-  
320 CS+ carbon monosulfide cation cs+  
321 SiO- silicon monoxide anion sio-  
322 SiO+ silicon monoxide cation sio+  
323 SiS- silicon monosulfide anion sis-  
324 SiS+ silicon monosulfide cation sis+  
325 TiO Titanium monoxide tio  
326 CSe Carbon monoselenide cse  
327 CSe- Carbon monoselenide anion cse-  
328 CSe+ Carbon monoselenide cation cse+  
329 GeO+ Germanium monoxide cation geo+  
330 GeS Germanium monosulfide ges  
331 SiSe+ Silicon Monoselenide cation sise+  
332 GeSe Germanium monoselenide gese  
333 NS- nitrogen sulfide anion ns-  
334 NS+ nitrogen sulfide cation ns+  
335 PO- phosphorus monoxide anion po-  
336 PO+ phosphorus monoxide cation po+  
337 PS- phosphorus monosulfide anion ps-  
338 PS+ phosphorus monosulfide cation ps+  
339 VO Vanadium monoxide vo  
340 AsO Arsenic monoxide aso  
341 NSe Nitrogen monoselenide nse  
342 AsS Arsenic monosulfide ass  
343 PSe Phosphorus monoselenide pse  
344 AsSe Arsenic monoselenide asse  
345 O2-- dioxygen dianion o2--  
346 SO- sulfur monoxide anion so-  
347 S2- sulfur diatomic anion s2-  
348 SeO Selenium monoxide seo  
349 SeO- selenium monoxide anion seo-  
350 SeO+ selenium monoxide cation seo+  
351 SeS Selenium monosulfide ses  
352 SeS- selenium monosulfide anion ses-  
353 SeS+ selenium monosulfide cation ses+  
354 TeO Tellurium monoxide teo  
355 Se2- selenium diatomic anion se2-  
356 Se2+ selenium diatomic cation se2+  
357 Te2 Tellurium diatomic te2  
358 KOH Potassium hydroxide koh  
359 CaOH Calcium monohydroxide caoh  
360 COH Hydroxymethylidyne coh  
361 COH+ Carbon Monoxide, protonated coh+  
362 HCO- formyl anion hco-  
363 HCS- Thioformyl anion hcs-  
364 HCS+ Thioformyl cation hcs+  
365 NOH Hydroxyimidogen noh  
366 NOH+ O-protonated nitric oxide noh+  
367 HNS Sulfur imide hns  
368 HNS- Sulfur imide anion hns-  
369 HO2+ Hydroperoxy cation ho2+  
370 HS2 Thiosulfeno radical hs2  
371 H2CO- formaldehyde anion h2co-  
372 HOCH hydroxycarbene hoch  
373 H2CS- thioformaldehyde anion h2cs-  
374 H2CS+ thioformaldehyde cation h2cs+  
375 H2NO nitroxide h2no  
376 H2O2+ Hydrogen peroxide cation h2o2+  
377 H2OO water oxide h2oo  
378 HOSH hydrogen thioperoxide hosh  
379 H2Se2 hydrogen diselenide h2se2  
380 CH3O- methoxy anion ch3o-  
381 CH3O+ Methoxy cation ch3o+  
382 NH2OH+ Hydroxylamine cation nh2oh+  
383 NH3O Ammonia Oxide nh3o  
384 NH2SH Thiohydroxylamine nh2sh  
385 NH3S sulfidoazane nh3s  
386 H3O2+ hydrogen peroxide, protonated h3o2+  
387 CH3OH- Methyl alcohol anion ch3oh-  
388 CH3OH+ Methyl alcohol cation ch3oh+  
389 CH3SH+ Methanethiol cation ch3sh+  
390 SiH3OH silanol sih3oh  
391 CH3SeH Methane selenol ch3seh  
392 NH2OH2+ protonated hydroxylamine nh2oh2+  
393 NH3OH+ N-protonated hydroxylamine nh3oh+  
394 CH3OH2+ Methanol, protonated ch3oh2+  
395 H2ONH3 Water Ammonia Dimer h2onh3  
396 H5O2+ Dihydroxonium ion h5o2+  
397 KF Potassium Fluoride kf  
398 KCl Potassium Chloride kcl  
399 CuF Copper monofluoride cuf  
400 LiBr Lithium Bromide libr  
401 LiBr- lithium bromide anion libr-  
402 LiBr+ lithium bromide cation libr+  
403 CuCl Copper monochloride cucl  
404 NaBr Sodium Bromide nabr  
405 NaBr- sodium bromide anion nabr-  
406 NaBr+ sodium bromide cation nabr+  
407 KBr Potassium Bromide kbr  
408 LiI Lithium Iodide lii  
409 NaI Sodium Iodide nai  
410 KI Potassium Iodide ki  
411 CaF Calcium monofluoride caf  
412 CaCl calcium monochloride cacl  
413 TiCl Titanium Monochloride ticl  
414 ZnF Zinc monofluoride znf  
415 ZnF- Zinc monofluoride anion znf-  
416 ZnF+ Zinc monofluoride cation znf+  
417 ZnCl Zinc monochloride zncl  
418 CaBr Calcium monobromide cabr  
419 AlF- Aluminum monofluoride anion alf-  
420 AlF+ Aluminum monofluoride cation alf+  
421 ScF Scandium monofluoride scf  
422 BBr Boron monobromide bbr  
423 GaF Gallium monofluoride gaf  
424 GaF+ Gallium monofluoride cation gaf+  
425 AlBr Aluminum monobromide albr  
426 GaCl Gallium monochloride gacl  
427 GaCl+ Gallium monochloride cation gacl+  
428 AlI Aluminum monoiodide ali  
429 GaBr Gallium monobromide gabr  
430 SiF- silicon monofluoride anion sif-  
431 CBr Carbon monobromide cbr  
432 GeF Germanium monofluoride gef  
433 GeF+ Germanium monofluoride cation gef+  
434 GeCl Germanium monochloride gecl  
435 GeCl+ Germanium monochloride cation gecl+  
436 SiBr Silicon monobromide sibr  
437 SiBr+ Silicon monobromide cation sibr+  
438 PF- phosphorus monofluoride anion pf-  
439 PF+ phosphorus monofluoride cation pf+  
440 AsF Arsenic monofluoride asf  
441 NBr nitrogen monobromide nbr  
442 AsCl Arsenic monochloride ascl  
443 PBr Phosphorus monobromide pbr  
444 SbF Antimony monofluoride sbf  
445 SbCl Antimony monochloride sbcl  
446 ClO- chlorine monoxide anion clo-  
447 SF- sulfur monofluoride anion sf-  
448 BrO Bromine monoxide bro  
449 BrO- Bromine monoxide anion bro-  
450 BrO+ Bromine monoxide cation bro+  
451 SeF Selenium monofluoride sef  
452 SBr+ Sulfur monobromide cation sbr+  
453 SeCl Selenium monochloride secl  
454 IO Iodine monoxide io  
455 SeBr Selenium monobromide sebr  
456 BrCl Bromine monochloride brcl  
457 BrF Bromine monofluoride brf  
458 BrF- bromine fluoride anion brf-  
459 BrF+ bromine fluoride cation brf+  
460 BrCl- bromine chloride anion brcl-  
461 BrCl+ bromine chloride cation brcl+  
462 IF Iodine monofluoride if  
463 Br2 Bromine diatomic br2  
464 Br2- bromine diatomic anion br2-  
465 Br2+ bromine diatomic cation br2+  
466 ICl Iodine monochloride icl  
467 IBr Iodine monobromide ibr  
468 I2 Iodine diatomic i2  
469 I2+ Iodine diatomic cation i2+  
470 HCCl Chloromethylene hccl  
471 HSiF fluorosilylene hsif  
472 HSiCl Chlorosilylene hsicl  
473 HSiBr monobromosilylene hsibr  
474 CHBr bromomethylene chbr  
475 DOCl Hypochlorous acid-d docl  
476 HOCl+ hypochlorous acid cation hocl+  
477 HOBr Hypobromous acid hobr  
478 HOBr+ Hypobromous acid cation hobr+  
479 HOI Hypoiodous acid hoi  
480 F2H+ Fluorine, protonated f2h+  
481 FHF Hydrogen difluoride fhf  
482 FHF- Hydrogen difluoride anion fhf-  
483 ClFH+ Chlorine fluoride, F-protonated clfh+  
484 FClH+ Chlorine fluoride, Cl-protonated fclh+  
485 Cl2H+ Chlorine, protonated cl2h+  
486 CH2Br bromomethyl radical ch2br  
487 CH2F fluoromethyl radical ch2f  
488 CH2F+ fluoromethyl cation ch2f+  
489 CH2Cl+ chloromethyl cation ch2cl+  
490 NH2Cl chloramine nh2cl  
491 CH3F+ methyl fluoride cation ch3f+  
492 CD3F methylfluoride-d3 cd3f  
493 CD3Cl methyl chloride d3 cd3cl  
494 CH3Cl+ Methyl chloride cation ch3cl+  
495 CH3Br methyl bromide ch3br  
496 GeH3F monofluorogermane geh3f  
497 GeH3Cl monochlorogermane geh3cl  
498 SiH3Br bromosilane sih3br  
499 CH3I methyl iodide ch3i  
500 SiH3I Silyl Iodide sih3i  
501 NH3Cl+ protonated monochloroammonia nh3cl+  
502 CH3ClH+ methyl chloride, protonated ch3clh+  
503 NH4Cl Ammonium chloride nh4cl  
504 LiNe+ Lithium Neon cation line+  
505 Ne2 Neon diatomic ne2  
506 Ne2+ Neon diatomic cation ne2+  
507 Ar2 Argon diatomic ar2  
508 Ar2+ Argon diatomic cation ar2+  
509 Li3 Lithium trimer li3  
510 Li3+ Lithium trimer cation li3+  
511 SiC2 Silicon dicarbide sic2  
512 C3H3 cyclopropenyl radical cpr  
513 C3H3- Propargyl anion c3h3-  
514 C3H5 Allyl radical allyl  
515 C3H5+ Allyl cation allyl+  
516 CH3CHCH 1-propenyl radical ch3chch  
517 Zn(CH3)2 dimethyl zinc dmz  
518 C3H7+ cyclopropane, protonated c3h7+  
519 CH3CHCH3 Isopropyl radical isopropyl  
520 CH3CHCH3+ Isopropyl cation prop2yl+  
521 LiCN lithium cyanide licn  
522 NaCN Sodium Cyanide nacn  
523 KCN Potassium cyanide kcn  
524 CuCN Copper cyanide cucn  
525 ZnCN Zinc monocyanide zncn  
526 ZnNC Zinc isocyanide znnc  
527 AlCN Aluminum monocyanide alcn  
528 AlNC Aluminum isocyanide alnc  
529 CN2 3H-Diazirin-3-ylidene cn2  
530 CNN Diazocarbene cnn  
531 NCN Cyanoimidogen ncn  
532 N3+ azide cation n3+  
533 HCCN cyanomethylene hccn  
534 HCNN diazomethyl radical hcnn  
535 HN3+ Hydrazoic acid cation hn3+  
536 HNCNH diiminomethane hncnh  
537 CH2N2 diazirine ch2n2  
538 HNNNH+ 1,2-Triazadienium n2h3+  
539 NH2NN+ hydrazoic acid, protonated nh2nn+  
540 CH3CN- acetonitrile anion ch3cn-  
541 CH3CN+ Acetonitrile cation ch3cn+  
542 CHNCH2 2H-Azirine c157164  
543 CHNHCH 1H-Azirine chnhch  
544 H2CCNH Ethenimine ch2cnh  
545 H2CNCH methyleneaminomethylene ch2nch  
546 HCCNH2 Ethynamine hccnh2  
547 HCNCH2+ 2H-Azirine cation hcnch2+  
548 HNCNH2+ diiminomethane, protonated hncnh2+  
549 NCNH3+ Cyanamide, protonated ncnh3+  
550 NH2CNH+ cyanamide, cn protonated nh2cnh+  
551 NH3CN+ cyanamide, amine protonated nh3cn+  
552 CH2CHNH vinylazine ch2chnh  
553 CH3CHN methylmethaniminyl radical ch3chn  
554 CH2CHNH2 aminoethene aminoethene  
555 CH3CHNH ethanimine ethanimine  
556 NH2BHNH2 diaminoborane nh2bhnh2  
557 C2H5NH+ Protonated Aziridine c2h5nh+  
558 C2H6N+ aziridine, protonated c2h6n+  
559 NH2CH2NH2 diaminomethane nh2ch2nh2  
560 CH3PHCH3 dimethylphosphine ch3phch3  
561 NH2CH2NH3+ diaminoethane, protonated pdam  
562 (CH3)2NH2+ dimethylammonium cation dmam  
563 CH3CH2NH3+ ethylamine, protonated pea  
564 Na2O disodium monoxide na2o  
565 Na2S Sodium sulfide na2s  
566 LiO2 Lithium dioxide lio2  
567 NaO2 Sodium superoxide nao2  
568 CCO Dicarbon monoxide cco  
569 CNO- fulminate cno-  
570 SCN thiocyanato radical scn  
571 SCN- thiocyanide anion scn-  
572 BO2+ Boron dioxide cation bo2+  
573 N2O- Nitrous oxide anion n2o-  
574 PPO Phosphorus oxide phosphide ppo  
575 OCS+ Carbonyl sulfide cation cos+  
576 CS2- Carbon disulfide anion cs2-  
577 CS2+ Carbon disulfide cation cs2+  
578 TiO2 Titanium dioxide tio2  
579 GeO2 Germanium dioxide geo2  
580 OCSe Carbonyl selenide ocse  
581 SCSe Carbon sulfide selenide scse  
582 GeS2 Germanium disulfide ges2  
583 CSe2 Carbon diselenide cse2  
584 SCTe Carbon sulfide Telluride scte  
585 PO2- Phosphorus dioxide anion po2-  
586 PO2+ Phosphorus dioxide cation po2+  
587 AsO2 Aresenic dioxide aso2  
588 SO2- Sulfur dioxide anion so2-  
589 SO2+ Sulfur dioxide cation so2+  
590 SeO2 Selenium dioxide seo2  
591 SeO2+ Selenium dioxide cation seo2+  
592 TeO2 Tellurium Dioxide teo2  
593 CS2H+ Carbon disulfide, protonated cs2h+  
594 HNCS Isothiocyanic acid hncs  
595 HSCN thiocyanic acid hscn  
596 HNNO nitrosoazane hnno  
597 HNNO+ Nitrous oxide, N-protonated hnno+  
598 NNOH+ Nitrous Oxide, O-protonated nnoh+  
599 HCOO formate neutral radical hcoo  
600 O3H+ protonated ozone o3h+  
601 SO2H+ protonated sulfur dioxide so2h+  
602 C2H2O Oxirene oxirene  
603 Be(OH)2 Beryllium hydroxide beo2h2  
604 Mg(OH)2 Magnesium dihydroxide h2mgo2  
605 NH2NO Nitrosamide nh2no  
606 H2COO Dioxymethyl radical h2coo  
607 H2COO+ dioxymethyl cation h2coo+  
608 H2O3 Hydrogen trioxide h2o3  
609 NaOCH3 Sodium methoxide naoch3  
610 CH2BOH hydroxy(methylene)borane ch2boh  
611 BH3CO Borane carbonyl bh3co  
612 CH3BO Borane, methyloxo- ch3bo  
613 CH2CHO Vinyloxy radical ch2cho  
614 CH2COH+ ketene, protonated ch2coh+  
615 CH3CO- Acetyl anion ch3co-  
616 CH3CO+ acetyl cation ch3co+  
617 CH2NOH formaldoxime ch2noh  
618 CH3NO nitrosomethane ch3no  
619 CNOH3 1,2-oxaziridine cnoh3  
620 HOCHNH hydroxymethylimine hochnh  
621 CHSNH2 thioformamide chsnh2  
622 NHCHSH Methanimidothioic acid nhchsh  
623 CH2OOH CH2OOH radical ch2ooh  
624 CH3OO- methylperoxy anion ch3oo-  
625 CH3OO+ methylperoxy cation ch3oo+  
626 C2H4O+ ethylene oxide cation c2h4o+  
627 CH3CHO+ acetaldehyde cation ch3cho+  
628 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
629 CH2CHSH Ethenethiol ch2chsh  
630 H2CONH2+ protonated formamide h2conh2+  
631 NH2CHOH+ Formamide, O-protonated nh2choh+  
632 NH3CHO+ Formamide, N-Protonated nh3cho+  
633 CH2(OH)2 methanediol ch2o2h2  
634 HSCH2SH Methanedithiol ch4s2  
635 H2OH2CO water formaldehyde dimer h2oh2co  
636 C2H4OH+ ethylene oxide, protonated c2h4oh+  
637 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
638 CH3CH2O Ethoxy radical ethoxy  
639 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
640 CH3CHOH+ acetaldehyde, protonated ch3choh+  
641 CH3OCH2 methoxymethyl radical ch3och2  
642 NH2CH2OH aminomethanol nh2ch2oh  
643 CH3SCH3+ dimethyl sulfide cation mesme+  
644 CH3SeCH3 dimethylselenide dmse  
645 CH3OHH2O methanol water dimer ch3ohh2o  
646 CuF2 Copper difluoride cuf2  
647 ZnF2 Zinc difluoride znf2  
648 CNF iso cyanogen fluoride cnf  
649 BrCN Cyanogen bromide brcn  
650 ICN Cyanogen iodide icn  
651 FBO Boron monofluoride monoxide fbo  
652 BeF2 Beryllium fluoride bef2  
653 MgF2 Magnesium fluoride mgf2  
654 BeCl2 Beryllium chloride becl2  
655 CaCl2 Calcium Chloride cacl2  
656 ZnCl2 Zinc dichloride zncl2  
657 BeBr2 Beryllium bromide bebr2  
658 CaBr2 Calcium dibromide cabr2  
659 CaF2 Calcium difluoride caf2  
660 FCO Carbonyl fluoride fco  
661 FCO+ Carbonyl fluoride cation fco+  
662 ClCO carbonyl monochloride clco  
663 BF2 Boron difluoride radical bf2  
664 BrNO Nitrosyl bromide brno  
665 INO Nitrosyl iodide ino  
666 CFCl chlorofluoromethylene cfcl  
667 SiF2 Silicon difluoride sif2  
668 SiF2+ Silicon difluoride cation sif2+  
669 CCl2- dichloromethylene anion ccl2-  
670 CCl2+ dichloromethylene cation ccl2+  
671 GeF2 Germanium difluoride gef2  
672 CBr2 dibromomethylene cbr2  
673 FOO+ Fluorine dioxide cation foo+  
674 ClOO+ chloroperoxy cation cloo+  
675 OClO- Chlorine dioxide anion oclo-  
676 OClO+ Chlorine dioxide cation oclo+  
677 BrOO Bromine dioxide broo  
678 OBrO Bromine dioxide radical obro  
679 PF2 Phosphorus difluoride pf2  
680 PF2+ Phosphorus difluoride cation pf2+  
681 SF2- sulfur difluoride anion sf2-  
682 SF2+ sulfur difluoride cation sf2+  
683 SeF2 Selenium difluoride sef2  
684 BrOCl Bromine hypochlorite brocl  
685 BrOBr Bromine oxide brobr  
686 F3- trifluoride anion f3-  
687 Cl3- trichloride anion cl3-  
688 Br3- tribromide anion br3-  
689 I3- triiodide i3-  
690 SFCl Sulfur chloride fluoride sfcl  
691 HCCF+ fluoroacetylene cation hccf+  
692 HCCCl Chloroacetylene hcccl  
693 HCCBr bromoacetylene hccbr  
694 HFCO formyl fluoride hfco  
695 HFCO+ formyl fluoride cation hfco+  
696 COHCl Formyl chloride cohcl  
697 COHBr Formyl bromide cohbr  
698 CHCl2 dichloromethyl radical chcl2  
699 CHF2 difluoromethyl radical chf2  
700 CHF2+ difluoromethyl cation chf2+  
701 CHFCl Chlorofluoromethyl radical chfcl  
702 CHFCl+ Chlorofluoromethyl cation chfcl+  
703 CHCl2+ dichloromethyl cation chcl2+  
704 CHBr2 dibromomethyl radical chbr2  
705 HOClO Chlorous acid hoclo  
706 NHF2 difluoramine nhf2  
707 NHCl2 dichloroamine nhcl2  
708 SiH2F2 difluorosilane sih2f2  
709 CH2BrF Methane, bromofluoro- ch2fbr  
710 CH2BrCl Methane, bromochloro- ch2clbr  
711 CH2FI fluoroiodomethane ch2fi  
712 CH2Br2 dibromomethane ch2br2  
713 CH2ClI chloroiodomethane ch2cli  
714 CH2BrI bromoiodomethane ch2bri  
715 CH2I2 Diiodomethane ch2i2  
716 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
717 CH2CHF+ fluoroethene cation ch2chf+  
718 C2H3Br vinyl bromide c2h3br  
719 C2H3I Vinyl iodide c2h3i  
720 CH2FOH fluoromethanol ch2foh  
721 CH3OCl methyl hypochlorite ch3ocl  
722 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
723 CHClCH3 1-chloroethyl radical chclch3  
724 CH3CH2Cl Ethyl chloride c2h5cl  
725 CH3SiFH2 fluoromethylsilane ch3sifh2  
726 C2H5Br Ethyl bromide etbr  
727 C2H5I Ethyl iodide c2h5i  
728 KrF2 Krypton difluoride krf2  
729 XeF2 Xenon difluoride xef2  
730 B4H10 Tetraborane(10) b4h10  
731 C4H2+ diacetlyene cation c4h2+  
732 C4H4 cyclobutadiene cbd  
733 C4H4 Tetrahedrane c4h4  
734 CHCCH2CH3 1-Butyne c107006  
735 CH3CHCHCH2 methylallyl radical c4h7  
736 C4H8 methylcyclopropane mcp  
737 B(CH3)3 trimethylborane bme3  
738 Al(CH3)3 trimethyl aluminum tma  
739 Li3N trilithium nitride li3n  
740 C2N2+ Cyanogen cation c2n2+  
741 As4 Arsenic tetramer as4  
742 HCCCN+ Cyanoacetylene cation hcccn+  
743 H2CNCN cyanamide, methylene ch2ncn  
744 HNCCNH Ethenediimine hnccnh  
745 C3H3N+ acrylonitrile cation ch2chcn+  
746 CH3N3 methyl azide ch3n3  
747 NH2CCNH2 Diaminoacetylene daa  
748 NH2CH2CN Aminoacetonitrile aan  
749 CH3NHN2+ methyl azide, protonated ch3nhn2+  
750 C2H5CN ethyl cyanide c2h5cn  
751 CH5N3 Guanidine guanidine  
752 C4H6 Bicyclo[1.1.0]butane c157335  
753 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
754 H2NCHCHNH2 diaminoethylene dae  
755 CH6N3+ guanidinium ch6n3+  
756 CH7N3 triaminomethane tam  
757 C3H7N Azetidine azet  
758 NH2CH2CH2CH3 1-Propanamine pram1  
759 P(CH3)3 trimethylphosphine tmp  
760 N(SiH3)3 trisilylamine tsa  
761 As(CH3)3 trimethyl arsine tmas  
762 (CH3)3NH+ protonated trimethyl amine ptma  
763 C3H7NH3+ n-propylamine, protonated c3h7nh2  
764 Li2O2 dilithium dioxide li2o2  
765 Na2O2 disodium dioxide na2o2  
766 K2O2 dipotassium dioxide k2o2  
767 C3O Tricarbon monoxide c3o  
768 CO3 Carbon trioxide co3  
769 NO3- nitrate anion no3-  
770 SO3- Sulfur trioxide anion so3-  
771 SO3-- Sulfate dianion so3--  
772 SO3+ Sulfur trioxide cation so3+  
773 SeO3 selenium trioxide seo3  
774 TeO3 Tellurium trioxide teo3  
775 HCO3- bicarbonate anion hco3-  
776 HSO3 Hydroxysulfonyl radical hso3  
777 NH2NO2 nitramide nh2no2  
778 C2H2CO cyclopropenone c2h2co  
779 C3H2O Propadienal c3h2o  
780 HCCCHO 2-propynal hcccho  
781 C2H2O2+ Ethanedial cation c2h2o2+  
782 H2CO3 Carbonic acid h2co3  
783 H2CS3 thiocarbonic acid h2cs3  
784 H2NO3+ Nitric Acid, Protonated h2no3+  
785 H2SO3 Sulfurous acid h2so3  
786 C2H3NO Nitrosoethylene c2h3no  
787 CH3NCO methylisocyante ch3nco  
788 HOCH2CN cyanomethanol hoch2cn  
789 NH2COOH Carbamic acid nh2cooh  
790 H3CO3+ carbonic acid, protonated h3co3+  
791 C3H4O 2-Propyn-1-ol c107197  
792 C3H4O Methylketene c6004440  
793 NH2CONH2+ Urea cation urea+  
794 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
795 NH3COOH+ protonated Carbamic acid nh3cooh+  
796 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
797 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
798 HCOOHH2O Formic acid water dimer hcoohh2o  
799 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
800 CH3COCH2 Acetonyl radical ch3coch2  
801 CH2C(OH)NH2 1-amino vinyl alchohol ava  
802 CH3C(OH)=NH Ethaninidic acid eia  
803 HCONHCH3 N-methylformamide nmfa  
804 CH5N2O+ urea, N-protonated ch4n2o+  
805 H2NCOHNH2+ urea, protonated ureah+  
806 C2H5OO ethylperoxy radical c2h5oo  
807 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
808 C3H5OH Cyclopropanol cproh  
809 C3H6O 2-Propen-1-ol c107186  
810 C3H6O Acetone enol enol  
811 C3H6O Oxetane oxetane  
812 CH3COCH3- acetone anion ch3coch3-  
813 C3H6S Thiirane, methyl- methiirane  
814 CH3CSCH3 Thioacetone ch3csch3  
815 CH3SOCH3 Dimethyl sulfoxide dmso  
816 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
817 CH3COHCH3+ acetone, protonated acetoneh+  
818 HOCH2CH2NH2 monoethanolamine mea  
819 C3H7OH 1-Propanol proh  
820 C3H7SH 1-Propanethiol prsh  
821 CH3CHSHCH3 2-Propanethiol isoprsh  
822 CH3SCH2CH3 Ethane, (methylthio)- etsme  
823 H2OCH3OCH3 water dimethylether dimer h2och3och3  
824 Li2F2 Lithium fluoride dimer li2f2  
825 Na2F2 Sodium Fluoride Dimer na2f2  
826 Na2Cl2 Disodium dichloride na2cl2  
827 C2Cl2+ dichloroacetylene cation c2cl2+  
828 FNO2 Nitryl fluoride fno2  
829 FONO Nitrosyl hypofluorite fono  
830 ClONO chlorine nitrite clono  
831 BrONO Bromine nitrite brono  
832 CF2O+ Carbonic difluoride cation f2co+  
833 COFCl Carbonic chloride fluoride cofcl  
834 COBr2 Carbonic dibromide cobr2  
835 BF3- Borane, trifluoro- anion bf3-  
836 BF3+ boron trifluoride cation bf3+  
837 BClF2 Chlorodifluoroborane bclf2  
838 ScF3 Scandium trifluoride ScF3  
839 BCl3+ Boron Trichloride cation bcl3+  
840 GaF3 Gallium trifluoride gaf3  
841 GaCl3 Gallium trichloride gacl3  
842 BBr3 Boron tribromide bbr3  
843 AlBr3 Aluminum Bromide albr3  
844 ClO3 Chlorine trioxide clo3  
845 BrO3- Bromate anion bro3-  
846 CF2Cl difluorochloromethyl radical cf2cl  
847 SiF3+ Silicon trifluoride cation sif3+  
848 CFCl2 dichlorofluoromethyl radical cfcl2  
849 CCl3 Trichloromethyl radical ccl3  
850 CCl3- Trichloromethyl anion ccl3-  
851 CCl3+ Trichloromethyl cation ccl3+  
852 CBr3 tribromomethyl radical cbr3  
853 FOOF Perfluoroperoxide foof  
854 ClOOCl Dichlorine dioxide cloocl  
855 SeOCl2 selenium oxychloride seocl2  
856 AsF3 Arsenic trifluoride asf3  
857 SbF3 Antimony Trifluoride sbf3  
858 AsCl3 Arsenous trichloride ascl3  
859 SbCl3 Antimony Trichloride sbcl3  
860 NBr3 Nitrogen Tribromide nbr3  
861 PBr3 Phosphorus tribromide pbr3  
862 AsBr3 Arsenic tribromide asbr3  
863 NI3 Nitrogen triiodide ni3  
864 PI3 Phosphorus triiodide pi3  
865 BrF3 Bromine trifluoride brf3  
866 IF3 iodone trifluoride if3  
867 SiHF3 trifluorosilane sihf3  
868 CDCl3 trichloromethane-d cdcl3  
869 CHBrF2 Methane, bromodifluoro- chbrf2  
870 CHFClBr fluorochlorobromomethane chfclbr  
871 CHBrCl2 Methane, bromodichloro- chbrcl2  
872 CHF2I difluoroiodomethane chf2i  
873 CHBr2F dibromofluoromethane chbr2f  
874 CHFClI fluorochloroiodomethane chfcli  
875 CHCl2I dichloroiodomethane chcl2i  
876 CHClBr2 Methane, dibromochloro- chclbr2  
877 CHBr3 bromoform chbr3  
878 CHI3 Iodoform chi3  
879 NF3H+ protonated nitrogen trifluoride nf3h+  
880 AsF3H+ Arsenic trifluoride, protonated asf3h+  
881 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
882 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
883 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
884 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
885 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
886 C2H2Br2 1,1-dibromoethene c2h2br2  
887 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
888 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
889 CH2FCHO Fluoroacetaldehyde ch2fcho  
890 CH2ClCHO chloroacetaldehyde ch2clcho  
891 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
892 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
893 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
894 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
895 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
896 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
897 CH2CFCH3 2-fluoropropene 2fpro  
898 CH2CHCH2F Allyl Fluoride allylf  
899 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
900 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
901 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
902 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
903 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
904 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
905 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
906 CH2FCH2CH3 1-Fluoropropane prf1  
907 CH3CHFCH3 2-Fluoropropane prf2  
908 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
909 CH3CHClCH3 Propane, 2-chloro- prcl2  
910 CH3CH2CH2Br n-propyl bromide prbr  
911 CH3CHBrCH3 i-propyl bromide iprbr  
912 C3H9O+ trimethyl oxonium cation c3h9o+  
913 B5H9 pentaborane9 b5h9  
914 C5H4 pentatetraene ptrene  
915 C5H5 cyclopentadienyl radical c5h5  
916 C5H6 1,3-Cyclopentadiene c542927  
917 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
918 C5H6 Propellane propellane  
919 C5H7 1,3-pentadienyl radical pdyl  
920 C5H7 cyclopentenyl radical cpyl  
921 C5H8 1,2-Butadiene, 3-methyl- c598254  
922 C5H8 1,2-Pentadiene c591957  
923 C5H8 1,3-Butadiene, 2-methyl- c78795  
924 C5H8 1,3-Pentadiene, (E)- c2004708  
925 C5H8 1-pentyne a1pentyne  
926 C5H8 2,3-Pentadiene c591968  
927 C5H8 Bicyclo[1.1.1]pentane bcp  
928 C5H8 Ethenylcyclopropane c693867  
929 CH3CCCH2CH3 2-Pentyne 2pentyne  
930 C5H10 1-Butene, 2-methyl- c563462  
931 C5H10 2-Butene, 2-methyl- c513359  
932 C5H10 2-Pentene, (E)- c646048  
933 C5H10 2-Pentene, (Z)- c627203  
934 C5H11 2-Methylbut-2-yl radical c4348350  
935 CH2N4 1H-Tetrazole 1htz  
936 C3H3N2 imidazolyl radical im  
937 C3H3N2- imidizolyl anion im-  
938 C2H3N3 1H-1,2,4-Triazole c288880  
939 C4H4N pyrrolide radical c4h4n  
940 C4H4N- pyrrolide anion c4h4n-  
941 C3H4N2 2H-Imidazole imid2h  
942 C3H4N2 4H-Imidazole imid4h  
943 C4H5N 2H-pyrrole pyrrole2  
944 C4H5N 3H-pyrrole pyrrole3  
945 CH2CHCH2CN Allylcyanide ch2chch2cn  
946 C4H6N+ pyrrole, alpha-protonated appyr  
947 C4H6N+ pyrrole, beta-protonated bppyr  
948 C4H6N+ pyrrole, protonated ppyr  
949 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
950 CH3CH2CH2CN Butanenitrile c109740  
951 C5H8 Spiropentane c157404  
952 C3H10N2 1,2-Diaminopropane diampr12  
953 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
954 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
955 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
956 NH(C2H5)2 diethylamine dea  
957 NC4H12+ tetramethyl ammonium cation nc4h12+  
958 B2O3 diboron trioxide b2o3  
959 MgCO3 Magnesium Carbonate mgco3  
960 BeCO3 Beryllium Carbonate beco3  
961 CaCO3 Calcium Carbonate caco3  
962 ONONO Nitrosyl nitrite onono  
963 HOONO2 peroxy nitric acid hoono2  
964 HSO4- bisulfate anion hso4-  
965 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
966 C3H2O2 Propiolic acid c3h2o2  
967 CHOCOOH oxo acetic acid oaa  
968 CHOOCHO diformyl ether choocho  
969 H2SeO4 Selenic acid h2seo4  
970 C3H3NO Oxazole oxazole  
971 C3H3NS Thiazole thiazole  
972 CH3C(O)OO acetyl peroxy radical ch3coo2  
973 H3PO4 Phosphoric Acid h3po4  
974 C4H4O+ Furan cation furan+  
975 CH3COCCH 3-butyn-2-one c1423605  
976 C4H4Se selenophene c4h4se  
977 C3H4O2 Methyl glyoxal megly  
978 HOCHCCHOH allenediol aldiol  
979 C2H4O3 1,2,3-trioxolane c2h4o3  
980 C2H4O3 trioxolane124 triox  
981 HOCH2COOH Hydroxyacetic acid hac  
982 CH5N3S Hydrazinecarbothioamide c79196  
983 CH3SO2NH2 methanesulfonamide ch3so2nh2  
984 CH2CHOCHCH2 Vinyl ether vinylether  
985 C4H6S Thiophene, 2,3-dihydro- thiop23h  
986 C4H6S Thiophene, 2,5-dihydro- thiop25h  
987 CH2CHSCHCH2 Divinyl sulfide divis  
988 C2H6N2O Urea, methyl- c598505  
989 CH3CH2COOH Propanoic Acid propanoic  
990 HCOOC2H5 Ethyl formate faee  
991 CH3SSSCH3 dimethyl trisulfide c2h6s3  
992 C4H8O Furan, tetrahydro- thf  
993 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
994 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
995 C4H8S Thiophene, tetrahydro- tht  
996 C3H8O2 1,3-Propanediol c504632  
997 C3H8O2 Propylene glycol c57556  
998 C3H8S2 1,3-Propanedithiol c109808  
999 C4H10O 1-Butanol butanol1  
1000 C4H10O 1-Propanol, 2-methyl- c78831  
1001 C4H10O Methyl propyl ether meopr  
1002 C4H10O Propane, 2-methoxy- c598538  
1003 C4H10O+ 1-Butanol cation butanol1+  
1004 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1005 C2H5SC2H5 Diethyl sulfide etset  
1006 C4H9SH 1-Butanethiol bush  
1007 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1008 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1009 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1010 ClONO2 Chlorine nitrate clono2  
1011 BrONO2 Bromine nitrate brono2  
1012 TiCl4 Titanium tetrachloride ticl4  
1013 SO2F2 Sulfuryl fluoride so2f2  
1014 TiF4 Titanium tetrafluoride tif4  
1015 CF3Br Bromotrifluoromethane cf3br  
1016 GeF4 Germanium tetrafluoride gef4  
1017 CCl4+ Carbon tetrachloride cation ccl4+  
1018 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1019 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1020 CF3I trifluoroiodomethane cf3i  
1021 CBrCl3 Methane, bromotrichloro- cbrcl3  
1022 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1023 GeCl4 Germanium Tetrachloride gecl4  
1024 CBr2ClF dibromochlorofluoromethane cbr2clf  
1025 CBr2Cl2 dibromodichloromethane cbr2cl2  
1026 CCl3I trichloroiodomethane ccl3i  
1027 CFBr3 fluorotribromomethane cfbr3  
1028 CFClBrI fluorochlorobromoiodomethane cfclbri  
1029 CBr3Cl tribromochloromethane cbr3cl  
1030 CF2I2 difluorodiiodomethane cf2i2  
1031 CBr4 Carbon tetrabromide cbr4  
1032 CCl2I2 dichlorodiiodomethane ccl2i2  
1033 SiBr4 Silicon tetrabromide sibr4  
1034 CBr3I tribromoiododmethane cbr3i  
1035 GeBr4 Germanium tetrabromide gebr4  
1036 CI4 tetraiodomethane ci4  
1037 SiI4 silicon tetraiodide sii4  
1038 ClOF3 Chlorine trifluoride oxide clof3  
1039 SeF4 Selenium tetrafluoride sef4  
1040 SCl4 Sulfur tetrachloride scl4  
1041 C2HF3 Trifluoroethylene c2hf3  
1042 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1043 HSO3F Fluorosulfonic acid hso3f  
1044 CF3OH trifluoromethanol cf3oh  
1045 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1046 CHClCCHCl 1,3-dichloroallene chclcchcl  
1047 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1048 CHCl2CHO dichloroacetaldehyde chcl2cho  
1049 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1050 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1051 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1052 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1053 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1054 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1055 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1056 NH3BCl3 Amminetrichloroboron nh3bcl3  
1057 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1058 C3H5ClO Oxirane, (chloromethyl)- c106898  
1059 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1060 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1061 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1062 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1063 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1064 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1065 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1066 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1067 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1068 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1069 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1070 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1071 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1072 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1073 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1074 C4H9F 1-fluorobutane butaf1  
1075 CH3CHFCH2CH3 2-fluorobutane butaf2  
1076 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1077 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1078 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1079 XeF4 Xenon tetrafluoride xef4  
1080 C2H2N2O Furazan furazan  
1081 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1082 NH3BF3 Amminetrifluoroboron nh3bf3  
1083 C6H2 hexatriyne c6h2  
1084 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1085 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1086 C6H5- phenyl anion phenyl-  
1087 C6H6 Prismane prismane  
1088 C6H6 1,2,4,5-Hexatetraene ht1245  
1089 C6H6 3,4-Dimethylenecyclobutene cb34m  
1090 C6H6 Benzvalene bv  
1091 C6H6 Dewar Benzene dewar  
1092 C6H6 Hexa-1,5-diene-3-yne hdy153  
1093 C6H6 Trimethylenecycopropane tmcp  
1094 C6H6+ Benzene cation c6h6+  
1095 C6H7+ benzene, protonated c6h7+  
1096 C6H8 (E)-hexa-1,3,5-triene c821078  
1097 C6H8 (E)-hexa-2,3,4-triene c59660650  
1098 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1099 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1100 C6H8 3-Methylenecyclopentene c930267  
1101 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1102 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1103 C6H10 1,5-Hexadiene c592427  
1104 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1105 C6H10 1-Hexyne hexyne1  
1106 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1107 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1108 C6H10 2-Hexyne c764352  
1109 C6H10 3-Hexyne hexyne3  
1110 C6H10 Cyclopentene, 1-methyl- c693890  
1111 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1112 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1113 C6H12 (E)-2-Hexene e2hexene  
1114 C6H12 (E)-3-methylpent-2-ene c616126  
1115 C6H12 (E)-hex-3-ene e3hexene  
1116 C6H12 (Z)-3-methylpent-2-ene c922623  
1117 C6H12 (Z)-hex-2-ene z2hexene  
1118 C6H12 (Z)-hex-3-ene z3hexene  
1119 C6H12 2,3-dimethylbut-1-ene c563780  
1120 C6H12 2,3-dimethyl-but-2-ene tmeet  
1121 C6H12 3-methylenepentane c760214  
1122 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1123 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1124 C6H12 Cyclopentane, methyl- c96377  
1125 C6H12 Ethylcyclobutane c4806615  
1126 C6H12 hex-1-ene hexene1  
1127 C6H14 Pentane, 2-methyl- penta2  
1128 C6H14 Pentane, 3-methyl- penta3  
1129 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1130 C4H2N2 Fumaronitrile c4h2n2  
1131 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1132 C5H5N E-2,4-pentadienenitrile bdcn  
1133 C5H6N+ Pyridinium c5h6n  
1134 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1135 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1136 C5H7N Cyclobutanecarbonitrile c4426113  
1137 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1138 C5H9N Butanenitrile, 2-methyl- c18936179  
1139 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1140 C6H10 Bicyclo[3.1.0]hexane c285585  
1141 C5H11N Cyclopentanamine cypentam  
1142 C5H11N Piperidine piper  
1143 C4H12N2 1,2-Butanediamine c4426486  
1144 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1145 Li2CO3 Lithium Carbonate li2co3  
1146 Na2CO3 Sodium Carbonate na2co3  
1147 MgSO4 Magnesium Sulfate mgso4  
1148 C3H2O3 vinylene carbonate vica  
1149 C2H2O4 Oxalic Acid oxalic  
1150 C4H4O2 2(5H)-Furanone furanone  
1151 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1152 C2H4N2S2 Ethanedithioamide c79403  
1153 C2H4CO3 Ethylene carbonate etco3  
1154 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1155 C3H4S3 1,3-Dithiolane-2-thione c822388  
1156 C2H4O4 Formic acid dimer fadimer  
1157 C4H5NO 3-Methylisoxazole isox3m  
1158 C4H5NO Isoxazole, 5-methyl- c5765446  
1159 C4H5NS 4-Methylthiazole c693958  
1160 C2H5NO3 Nitric acid, ethyl ester c625581  
1161 C5H6O 2H-Pyran pyran2  
1162 C5H6O 2-methylfuran furan2m  
1163 C5H6O 3-Methylfuran furan3m  
1164 C5H6O Pentadienal pdal  
1165 C5H6S Thiophene, 2-methyl- c554143  
1166 C5H6S Thiophene, 3-methyl- c616444  
1167 C4H6O2 γ–Butyrolactone c96480  
1168 C4H6O2 2-Propenoic acid, methyl ester c96333  
1169 C4H6O2 Crotonic Acid crot  
1170 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1171 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1172 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1173 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1174 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1175 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1176 C4H6OS Vinyl sulfoxide c1115157  
1177 CH6N4S Carbonothioic dihydrazide thiacarb  
1178 C2H6N2O2 (E)-Azodioxymethane c37765154  
1179 C2H6N2O2 Dimethylnitroamine c4164287  
1180 C3H6S3 1,3,5-Trithiane c3h6s3  
1181 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1182 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1183 C4H7NO Ethoxyacetonitrile etoaccn  
1184 C4H7NO Methacrylamide c79390  
1185 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1186 C3H7ONO Propyl nitrite prono  
1187 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1188 NH2COOC2H5 Urethane urethane  
1189 C5H8O Cyclopentanone c120923  
1190 C5H8O Methyl cyclopropyl ketone c765435  
1191 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1192 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1193 NH2CONHC2H5 Urea, ethyl- c625525  
1194 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1195 C4H8O2 1,4-Dioxane dioxan14  
1196 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1197 C4H8O2 Ethyl acetate c141786  
1198 C4H8OS s-Ethyl thioacetate c625605  
1199 C3H8O3 1,2,3-Propanetriol glycerin  
1200 C3H8O2S (Methylsulfonyl)ethane c594434  
1201 C4H9NO Butanamide c541355  
1202 C4H9NO Propanamide, 2-methyl- c563837  
1203 C5H10O 2-Butanone, 3-methyl- c563804  
1204 C5H10O 2-methylbutyraldehyde 2meba  
1205 C5H10O Cyclopentanol c96413  
1206 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1207 C5H10O Pentanal pal  
1208 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1209 C5H10S 3-Ethylthio-1-propene c5296628  
1210 C5H10S Cyclopentanethiol c1679078  
1211 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1212 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1213 C4H10O2 1,1-Dimethoxyethane c534156  
1214 C4H10OS Diethyl sulfoxide c70291  
1215 C4H10S2 1,4-Butanedithiol budisl14  
1216 C5H12O 1-Butanol, 2-methyl- c137326  
1217 C5H12O 1-Pentanol pentanol1  
1218 C5H12O 2-Butanol, 3-methyl- c598754  
1219 C5H12O 2-Pentanol peol2  
1220 C5H12O 3-Pentanol pentan3ol  
1221 C5H12O Propane, 1-ethoxy- proet  
1222 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1223 C5H12S 1-Butanethiol, 3-methyl- c541311  
1224 C5H12S 1-Pentanethiol c110667  
1225 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1226 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1227 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1228 C5H12S Butane, 1-(methylthio)- c628295  
1229 C5H12S Ethyl propyl sulfide c4110503  
1230 C5H12S Propane, 2-(ethylthio)- c5145993  
1231 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1232 C4F2 difluorobutadiyne c4f2  
1233 ClCOClCO Oxalyl chloride oxcl  
1234 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1235 C2F4+ Tetrafluoroethylene cation c2f4+  
1236 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1237 CF2CCl2 difluorodichloroethylene cf2ccl2  
1238 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1239 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1240 C2FCl3 fluorotrichloroethene c2fcl3  
1241 C2Br4 tetrabromoethene c2br4  
1242 AsF5 Arsenic pentafluoride asf5  
1243 SF5 Sulfur pentafluoride sf5  
1244 SF5+ pentafluoro sulfur cation sf5+  
1245 SbCl5 Antimony pentachloride sbcl5  
1246 BrF5 bromine pentafluoride brf5  
1247 IF5 pentafluoroiodine if5  
1248 CF3CHO trifluoroacetaldehyde cf3cho  
1249 CCl3CHO trichloroacetaldehyde ccl3cho  
1250 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1251 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1252 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1253 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1254 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1255 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1256 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1257 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1258 CF3COOH trifluoroacetic acid cf3cooh  
1259 C4H3ClO Furan, 2-chloro fur2cl  
1260 C4H3ClO Furan,3-chloro fur3cl  
1261 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1262 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1263 C4H8Cl2 1,4-Dichlorobutane c110565  
1264 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1265 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1266 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1267 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1268 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1269 C5H11Cl Pentane, 1-chloro- pencl1  
1270 C4H8O2 Butanoic acid bua  
1271 C7H7 cycloheptatrienyl radical c7h7  
1272 C7H7+ cycloheptatrienyl cation c7h7+  
1273 C6H5CH3 toluene toluene  
1274 C7H8 cycloheptatriene cht  
1275 C7H8 Norbornadiene norbor  
1276 C7H8 Quadricyclane qucy  
1277 C7H12 Norbornane nor  
1278 C7H14 cycloheptane c7h14  
1279 C7H16 2-methylhexane 2mhex  
1280 C7H16 3-methylhexane hex3m  
1281 CH(CN)3 tricyanomethane mecn3  
1282 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1283 C6H7N 2-Methylpyridine mp  
1284 C6H13N 2-Methylpiperidine pip2m  
1285 C6H13N cyclohexanamine cham  
1286 C6H15N triethylamine tea  
1287 N2O5 Dinitrogen pentoxide n2o5  
1288 C4H2O3 Maleic Anhydride malan  
1289 C6H5O phenoxy radical phenoxy  
1290 C5H5NO 2(1H)-Pyridinone c72762006  
1291 C5H5NO 2(3H)-Pyridinone c9000048  
1292 C5H5NO 2(5H)-Pyridinone c9000037  
1293 C5H5NO 2-Pyridinol c109104  
1294 C5H5NO 3(2H)-Pyridinone c9000004  
1295 C5H5NO 3(4H)-Pyridinone c9000026  
1296 C5H5NO 3(6H)-Pyridinone c9000015  
1297 C5H5NO 3-Pyridinol c109002  
1298 C5H5NO 4(1H)-Pryidinone c9000060  
1299 C5H5NO 4(3H)-Pryidinone c9000059  
1300 C5H5NO 4-Pyridinol c626642  
1301 C6H6O 2,4-Cyclohexadienone c24599573  
1302 C6H6O 2,5-Cyclohexadienone c5664335  
1303 C6H5SH Benzenethiol phsh  
1304 HO2CCHNH2CH2OH Serine serine  
1305 C5H8O2 Acetylacetone acac  
1306 C4H8O2S Sulfolane sulfolane  
1307 C7H10 Norbornene norbornene  
1308 CH(C2H3)3 trivinyl methane tvm  
1309 C6H12O hexanal c6h12o  
1310 C6H12O Oxepane oxepane  
1311 C3H7OC3H7 di-n-propyl ether propr  
1312 F2CCCF2 tetrafluoroallene pfa  
1313 CF3COO- trifluoro acetate anion cf3coo-  
1314 CF3COF trifluoroacetyl fluoride cf3cof  
1315 CF3COCl trifluoroacetyl chloride cf3cocl  
1316 PF6 Hexafluorophosphate neutral pf6  
1317 SeF6 Selenium hexafluoride sef6  
1318 CF3CHF2 pentafluoroethane cf3chf2  
1319 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1320 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1321 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1322 CCl3CHCl2 pentachloroethane ccl3chcl2  
1323 C6H5Cl chlorobenzene bzcl  
1324 C6H5Br bromobenzene bzbr  
1325 C8H6 Calicene calicene  
1326 C8H6 benzocyclobutadiene bcbd  
1327 C8H6 Pentalene pentalene  
1328 CH3C6H4CH3 meta-xylene mxylene  
1329 CH3C6H4CH3 paraxylene pxylene  
1330 C8H14 Bicyclo[2.2.2]octane bico222  
1331 C8H16 cyclooctane cyclooct  
1332 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1333 C8H18 Octane c8h18  
1334 C6H5CN phenyl cyanide phcn  
1335 C6H12N2 Triethylenediamine ted  
1336 C4O4-- squarate dianion c4o4--  
1337 S4N4 Tetrasulfur tetranitride s4n4  
1338 C4H4N2O2 Uracil uracil  
1339 C5H9NO2 Proline proline  
1340 C6H12O2 Methyl pivalate c598981  
1341 C6H12O2 Hexanoic acid hexa  
1342 C4F4 tetrafluorcyclobutadiene c4f4  
1343 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1344 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1345 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1346 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1347 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1348 C2Cl6 hexachloroethane c2cl6  
1349 IF7 Iodine heptafluoride if7  
1350 C6H4F2 metadifluorobenzene mdfb  
1351 C6H4Cl2 1,2-dichlorobenzene dcb12  
1352 C6H4Cl2 1,3-dichlorobenzene dcb13  
1353 C6H4Cl2 1,4-dichlorobenzene dcb14  
1354 C6H5NO nitrosobenzene bzno  
1355 C9H8 Indene indene  
1356 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1357 C9H12 n-propyl benzene prbz  
1358 C9H20 Nonane nonane  
1359 C(CN)4 tetracyanomethane c5n4  
1360 C5H4N4 purine purine  
1361 C8H7N Indole indole  
1362 C3H3N3O3 cyanuric acid cyanuric  
1363 C6H5NO2 Nitrobenzene c6h5no2  
1364 CH3COC6H5 acetophenone acph  
1365 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1366 C3F6 hexafluoropropene c3f6  
1367 C6H3F3 Benzene trifluoride 123 bzf3a  
1368 C8H18O 1-Octanol octanol  
1369 C10H8 Azulene azu  
1370 C10H10 bullvalene bullv  
1371 C10H16 adamantane adamantane  
1372 C6N4 Tetracyanoethylene tcne  
1373 C6N4- tetracyanoethylene anion tcne-  
1374 C10H22 Decane decane  
1375 C4F6 perfluorobutadiene c4f6  
1376 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1377 C3F8 perfluoropropane c3f8  
1378 Fe(CO)5 Iron pentacarbonyl ipc  
1379 Fe(C5H5)2 ferrocene fecp2  
1380 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1381 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1382 C12H8 Acenaphthylene acenaph  
1383 C12H8 biphenylene biph  
1384 C12H10 biphenyl biphenyl  
1385 C12H10 Heptalene heptalene  
1386 C6H12O6 Inositol inositol  
1387 C6F6 hexafluorobenzene c6f6  
1388 S2F10 disulphur decafluoride s2f10  
1389 C13H10 Fluorene fluorene  
1390 C14H10 Anthracene anth  
1391 C14H10 Phenanthrene phenanthrene  
1392 C14H14 Bibenzyl bibenzyl  
1393 C12H10N2 azobenzene azobenzene  
1394 C6H5COC6H5 benzophenone benzophenone  
1395 C16H10 Pyrene pyrene  
1396 C18H12 Tetracene tetracene  
1397 C19H16 Triphenylmethane tpm  
1398 C24H12 Coronene coronene  
1399 C60 Buckminsterfullerene c60