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List of which calculations are completed at B3LYP /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 cation 1SKh
14 LiH Lithium Hydride 1ΣC∞v
15 LiH- lithium hydride anion 2ΣC∞v
16 LiH+ lithium hydride cation 2ΣC∞v
17 NaH sodium hydride 1ΣC∞v
18 NaH- sodium hydride anion 2ΣC∞v
19 NaH+ sodium hydride cation 2ΣC∞v
20 Be Beryllium atom 1SKh
21 BeH beryllium monohydride 2ΣC∞v
22 BeH- berylium monohydride anion 1ΣC∞v
23 BeH+ beryllium monohydride cation 1ΣC∞v
24 MgH magnesium monohydride 2ΣC∞v
25 MgH- magnesium monohydride anion 1ΣC∞v
26 MgH+ magnesium monohydride cation 1ΣC∞v
27 BeH2 beryllium dihydride 1ΣgD∞h
28 B Boron atom 2PKh
29 BH Boron monohydride 1ΣC∞v
30 BH- boron monohydride anion 2ΠC∞v
31 BH+ boron monohydride cation 2ΣC∞v
32 AlH aluminum monohydride 1ΣC∞v
33 BH2 boron dihydride 2A1C2v
34 AlH2 aluminum dihydride 2A1C2v
35 BH3 boron trihydride 1A1'D3h
36 AlH3 aluminum trihydride 1A1'D3h
37 BH4- borohydride anion 1A1Td
38 AlH4- Aluminum tetrahydride anion 1A1Td
39 C Carbon atom 3P0Kh
40 Si Silicon atom 3PKh
41 CH Methylidyne 2Π1/2C∞v
42 CH- methylidyne anion 3ΣC∞v
43 CH+ Methylidyne cation 1ΣC∞v
44 SiH Silylidyne 2ΠC∞v
45 CH2 Methylene 3B1C2v
46 CH2 Methylene 1A1C2v
47 CH2- methylene anion 2B1C2v
48 CH2+ methylene cation 2A1C2v
49 SiH2 silicon dihydride 1A1C2v
50 SiH2 silicon dihydride 3B1C2v
51 CH3 Methyl radical 2A1D3h
52 CH3- methyl anion 1A1C3v
53 CH3+ methyl cation 1A1'D3h
54 SiH3 Silyl radical 2A1C3v
55 SiH3+ Silyl cation 1A1'D3h
56 CH4 Methane 1A1Td
57 SiH4 Silane 1A1Td
58 P Phosphorus atom 4SKh
59 NH Imidogen 3Σ-C∞v
60 NH Imidogen 1Σ+C∞v
61 NH- Imidogen anion 2ΠC∞v
62 NH+ imidogen cation 2ΠC∞v
63 PH phosphorus monohydride 3Σ-C∞v
64 PH phosphorus monohydride 1ΔC∞v
65 ND2 Amidogen-d2 2B1C2v
66 NH2 Amino radical 2B1C2v
67 NH2- amino anion 1A1C2v
68 PH2 Phosphino radical 2B1C2v
69 ND3 Ammonia-d3 1A1C3v
70 NH3 Ammonia 1A1C3v
71 NH3+ ammonia cation 2A2"D3h
72 PH3 Phosphine 1A1C3v
73 NH4+ ammonium cation 1A1Td
74 PH4+ phosphonium cation   
75 O Oxygen atom 3SKh
76 S Sulfur atom 3PKh
77 DO Hydroxyl-d 2ΠC∞v
78 OH Hydroxyl radical 2ΠC∞v
79 OH- hydroxide anion 1ΣC∞v
80 OH+ hydoxyl cation 3ΣC∞v
81 OH+ hydoxyl cation 1ΣC∞v
82 DS Mercapto-d 2ΠC∞v
83 HS Mercapto radical 2ΠC∞v
84 HS- mercapto anion 1ΣC∞v
85 HS+ sulfur monohydride cation 3ΣC∞v
86 D2O Deuterium oxide 1A1C2v
87 H2O Water 1A1C2v
88 H2O- water anion 2A1C2v
89 H2O+ water cation 2B1C2v
90 HDO Water-d1 1A1C2v
91 D2S Hydrogen sulfide-d2 1A1C2v
92 H2S Hydrogen sulfide 1A1C2v
93 H2S+ Hydrogen sulfide cation 2B1C2v
94 H3O+ hydronium cation 1A1C3v
95 H3S+ Sulfonium cation 1A1C3v
96 F Fluorine atom 2PKh
97 Cl Chlorine atom 2PKh
98 DF Hydrofluoric acid-d 1ΣC∞v
99 HF Hydrogen fluoride 1ΣC∞v
100 HF- hydrogen fluoride anion 2ΣC∞v
101 HF+ hydrogen fluoride cation 2ΠC∞v
102 HCl Hydrogen chloride 1ΣC∞v
103 HCl- hydrogen chloride anion 2ΣC∞v
104 HCl+ hydrogen chloride cation 2ΠC∞v
105 H2F+ dihydrogen fluoride cation 1A1C2v
106 H2Cl+ dihydrogen monochloride cation 1A1C2v
107 Ne Neon atom 1SKh
108 NeH+ neon hydrogen cation 1ΣC∞v
109 Li2 Lithium diatomic 1ΣgD∞v
110 Li2- lithium diatomic anion 2ΣuD∞h
111 Li2+ lithium diatomic cation 2ΣgD∞h
112 NaLi lithium sodium 1ΣC∞v
113 NaLi- lithium sodium anion 2ΣC∞v
114 NaLi+ lithium sodium cation 2ΣC∞v
115 Na2 Sodium diatomic 1ΣgD∞h
116 Na2- sodium diatomic anion 2ΣuD∞h
117 Na2+ sodium diatomic cation 2ΣgD∞h
118 Be2- Beryllium diatomic anion 2ΠuD∞h
119 Be2+ Beryllium diatomic cation 2ΣuD∞h
120 Mg2- magnesium diatomic anion 2ΠUD∞h
121 Mg2+ magnesium diatomic cation 2ΣuD∞h
122 B2 Boron diatomic 3ΣgD∞h
123 B2 Boron diatomic 1ΣgD∞h
124 B2 Boron diatomic 5ΣuD∞h
125 B2- Boron diatomic anion 4ΣgD∞h
126 BAl Boron Aluminum 3ΣC∞v
127 B2H6 Diborane 1AgD2h
128 BC- boron monocarbide anion 3ΠuC∞v
129 BC- boron monocarbide anion 1Σg+C∞v
130 BC+ boron monocarbide cation 3ΣC∞v
131 BC+ boron monocarbide cation 1ΣC∞v
132 AlC Aluminum carbide 4ΣC∞v
133 C2 Carbon diatomic 1Σg+D∞h
134 C2 Carbon diatomic 3ΠuD∞h
135 C2- carbon diatomic anion 2ΣgD∞h
136 C2+ carbon diatomic cation 2ΠD∞h
137 SiC silicon monocarbide 3ΣC∞v
138 SiC silicon monocarbide 1ΣC∞v
139 Si2 Silicon diatomic 3ΣgD∞h
140 C2H Ethynyl radical 2ΣC∞v
141 C2H2 Acetylene 1ΣgD∞h
142 C2H2+ acetylene cation 2ΠuD∞h
143 CCH2 vinylidene 1A1C2v
144 C2H3 vinyl 2A'Cs
145 C2H4 Ethylene 1AgD2h
146 C2H5 Ethyl radical 2A'Cs
147 C2H6 Ethane 1A1gD3d
148 CH3SiH3 methyl silane 1A1C3
149 Si2H6 disilane 1EuD3d
150 BeN- Beryllium mononitride anion 1ΣC∞v
151 BN- boron nitride anion 2ΣC∞v
152 BN boron nitride 3ΠC∞v
153 BN boron nitride 1ΣC∞v
154 BN+ boron nitride cation 2ΠC∞v
155 AlN Aluminum nitride 3ΠiC∞v
156 CN Cyano radical 2ΣC∞v
157 CN- cyanide anion 1ΣC∞v
158 CN+ Cyano cation 1ΣC∞v
159 CP Carbon monophosphide 2ΣC∞v
160 SiN Silicon nitride 2ΣC∞v
161 SiP Silicon monophosphide 2ΠC∞v
162 N2 Nitrogen diatomic 1ΣgD∞h
163 N2- nitrogen diatomic anion 2ΠgD∞h
164 N2+ diatomic nitrogen cation 2ΣgD∞h
165 PN Phosphorus mononitride 1ΣC∞v
166 P2 Phosphorus diatomic 1ΣgD∞h
167 HNC hydrogen isocyanide 1ΣC∞v
168 HCN Hydrogen cyanide 1ΣC∞v
169 HCN+ hydrogen cyanide cation 2ΠC∞v
170 HCP Phosphaethyne 1ΣC∞v
171 NNH Dinitrogen monohydride 2A'Cs
172 HPO Hydrogen phosphorus oxide 1A'Cs
173 N2H2 (E)-diazene 1AgC2h
174 CH2NH Methanimine 1A'Cs
175 CH2PH Phosphaethene 1A'Cs
176 CH2NH2+ methyleneamine cation 1A1C2v
177 N2H4 Hydrazine 1AC2
178 P2H4 Diphosphine 1AC2
179 CH3NH2 methyl amine 1A'Cs
180 BH3PH3 borane phosphine   
181 LiO lithium oxide 2ΣC∞v
182 LiO- lithium oxide anion 1ΣC∞v
183 LiO+ lithium oxide cation 3ΣC∞v
184 LiO+ lithium oxide cation 1ΣC∞v
185 LiS Lithium monosulfide 2ΠC∞v
186 NaO- sodium oxide anion 1ΣC∞v
187 NaO+ sodium oxide cation 3ΣC∞v
188 BeO beryllium oxide 1ΣC∞v
189 BeO- Beryllium monoxide anion 2ΣC∞v
190 BeO+ Beryllium monoxide cation 2ΠC∞v
191 BeS beryllium sulfide 1ΣC∞v
192 MgO magnesium oxide 1Σ+C∞v
193 MgO- magnesium oxide anion 2ΣC∞v
194 MgO+ magnesium oxide cation 2ΠC∞v
195 MgS magnesium sulfide 1ΣC∞v
196 CaS Calcium sulfide 1ΣC∞v
197 BO boron monoxide 2ΣC∞v
198 BO- boron monoxide anion 1ΣC∞v
199 AlO Aluminum monoxide 2ΣC∞v
200 BS boron sulfide 2ΣC∞v
201 AlS Aluminum sulfide 2ΣC∞v
202 BO+ boron monoxide cation 1ΣC∞v
203 CO Carbon monoxide 1ΣC∞v
204 CO- carbon monoxide anion 2ΠC∞v
205 CO+ carbon monoxide cation 2ΣC∞v
206 CS carbon monosulfide 1ΣC∞v
207 SiO Silicon monoxide 1ΣC∞v
208 SiS silicon monosulfide 1ΣC∞v
209 GeO Germanium monoxide 1ΣC∞v
210 SiSe Silicon Monoselenide   
211 NO Nitric oxide 2ΠC∞v
212 NO- nitric oxide anion 3ΣC∞v
213 NO- nitric oxide anion 1ΔC∞v
214 NO+ nitric oxide cation 1ΣC∞v
215 NS Mononitrogen monosulfide 2ΠC∞v
216 PO Phosphorus monoxide 2ΠC∞v
217 PS phosphorus sulfide 2ΣC∞v
218 O2 Oxygen diatomic 3ΣgD∞h
219 O2- oxygen diatomic anion 2ΠD∞h
220 O2+ diatomic oxygen cation 2ΠgD∞h
221 SO Sulfur monoxide 3ΣC∞v
222 SO Sulfur monoxide 1ΣC∞v
223 S2 Sulfur diatomic 3ΣgD∞h
224 S2+ sulfur diatomic cation 2ΠD∞h
225 Se2 Selenium diatomic 3ΣgD∞h
226 LiOH lithium hydroxide 1ΣC∞v
227 BeOH beryllium monohydroxide 2A'Cs
228 HBO Boron hydride oxide 1ΣC∞v
229 HBS hydrogen boron sulfide 1ΣC∞v
230 HCO Formyl radical 2A'Cs
231 HCS Thioformyl radical 2A'Cs
232 HNO Nitrosyl hydride 1A'Cs
233 HO2 Hydroperoxy radical 2A"Cs
234 HSO+ Sulfur Monoxide, S-protonated   
235 SOH Sulfur Hydroxide   
236 SOH+ Sulfur Monoxide, protonated   
237 H2CO Formaldehyde 1A1C2v
238 H2CO+ formaldehyde cation 2B2C2v
239 H2CS Thioformaldehyde 1A1C2v
240 H2CSe Selenoformaldehyde   
241 H2O2 Hydrogen peroxide 1AC2
242 H2S2 Disulfane 1AC2
243 H2S2+ hydrogen disulfide cation 2BgC2h
244 CH2OH Hydroxymethyl radical 2AC1
245 CH2OH+ hydroxymethyl cation 1A'Cs
246 CH3O Methoxy radical 2A'C1
247 CH3S thiomethoxy 2A'C3v
248 H2CSH+ Thioformaldehyde, protonated 1A'Cs
249 NH2OH hydroxylamine 1A'Cs
250 H2POH Phosphinous acid 1A1'CS trans
251 H2POH Phosphinous acid 1A1'CS cis
252 H3PO Phosphine oxide 1A1C3v
253 CH3OH Methyl alcohol 1A'Cs
254 CH3SH Methanethiol 1A'Cs
255 CH3SH2+ protonated methylsulfide 1A'Cs
256 LiF lithium fluoride 1ΣC∞v
257 LiCl lithium chloride 1ΣC∞v
258 LiCl- lithium chloride anion 2ΣC∞v
259 LiCl+ lithium chloride cation 2ΠC∞v
260 NaF sodium fluoride 1ΣC∞v
261 NaF- sodium fluoride anion 2ΣC∞v
262 NaF+ sodium fluoride cation 2ΣC∞v
263 NaCl Sodium Chloride 1ΣC∞v
264 NaCl- sodium chloride anion 2ΣC∞v
265 NaCl+ sodium chloride cation 2ΠC∞v
266 LiF- lithium fluoride anion 2ΣC∞v
267 LiF+ lithium fluoride cation 2ΠC∞v
268 BeF Beryllium monofluoride 2ΣC∞v
269 BeF- Beryllium monofluoride anion 1ΣC∞v
270 BeF+ Beryllium monofluoride cation 1ΣC∞v
271 BeCl beryllium monochloride 2ΣC∞v
272 MgF Magnesium monofluoride 2ΣC∞v
273 MgF- magnesium fluoride anion 1ΣC∞v
274 MgF+ magnesium fluoride cation 1ΣC∞v
275 MgCl magnesium monochloride 2ΣC∞v
276 MgCl- magnesium monochloride anion 1ΣC∞v
277 MgCl+ magnesium monochloride cation 1ΣC∞v
278 BeCl- beryllium monochloride anion 1ΣC∞v
279 BeCl+ beryllium monochloride cation 1ΣC∞v
280 BF Boron monofluoride 1ΣC∞v
281 BF- Boron monofluoride anion 2ΠC∞v
282 BF+ Boron monofluoride cation 2ΣC∞v
283 AlF Aluminum monofluoride 1Σ+C∞v
284 BCl boron monochloride 1ΣC∞v
285 BCl- boron monochloride anion 2ΠC∞v
286 BCl+ boron monochloride cation 2ΣC∞v
287 AlCl Aluminum monochloride 1ΣC∞v
288 AlCl- aluminum monochloride anion 2ΠC∞v
289 AlCl+ aluminum monochloride cation 2ΣC∞v
290 CF Fluoromethylidyne 2ΠC∞v
291 CF- carbon monofluoride anion 3ΣC∞v
292 CF- carbon monofluoride anion 1ΣC∞v
293 CF+ carbon monofluoride cation 1ΣC∞v
294 CCl carbon monochloride 2ΠC∞v
295 CCl- carbon monochloride anion 3ΣC∞v
296 CCl+ carbon monochloride cation 1ΣC∞v
297 SiF silicon monofluoride 2ΠC∞v
298 SiF+ silicon monofluoride cation 1ΣC∞v
299 SiCl Clorosilylidyne 2ΠC∞v
300 SiCl- silicon monochloride anion 3ΣC∞v
301 SiCl+ silicon monochloride cation 1ΣC∞v
302 NF nitrogen fluoride 3ΣC∞v
303 NF nitrogen fluoride 1ΣC∞v
304 NF- nitrogen monofluorine anion 2ΠC∞v
305 NF+ nitrogen monofluoirde cation 2ΠC∞v
306 NCl nitrogen monochloride 3ΣC∞v
307 NCl- nitrogen monochloride anion 2ΠC∞v
308 NCl+ nitrogen monochloride cation 2ΠC∞v
309 PF phosphorus monofluoride 3ΣC∞v
310 PCl phosphorus chloride 3ΣC∞v
311 PCl- phosphorus monochloride anion 2ΠC∞v
312 PCl+ phosphorus monochloride cation 2ΠC∞v
313 FO Oxygen monofluoride 2ΠC∞v
314 FO- flourine oxide anion 1ΣC∞v
315 FO+ fluorine monoxide cation 3ΣC∞v
316 ClO Monochlorine monoxide 2ΠC∞v
317 ClO+ chlorine monoxide cation 3ΣC∞v
318 SF Monosulfur monofluoride 2ΠC∞v
319 SF+ sulfur monofluoride cation 3ΣC∞v
320 SCl sulfur monochloride 2ΠC∞v
321 SCl- sulfur monochloride anion 1ΣC∞v
322 SCl+ sulfur monochloride cation 3ΣgC∞v
323 SBr Sulfur monobromide radical   
324 F2 Fluorine diatomic 1ΣgD∞h
325 F2- flourine diatomic anion 2ΣuD∞h
326 F2+ flourine diatomic cation 2ΠgD∞h
327 ClF Chlorine monofluoride 1Σ+C∞v
328 ClF- clorine monofluoride anion 2ΣC∞v
329 ClF+ clorine monofluoride cation 2ΠC∞v
330 Cl2 Chlorine diatomic 1ΣgD∞h
331 Cl2- chlorine diatomic anion 2ΣuD∞h
332 Cl2+ chlorine diatomic cation 2ΠgD∞h
333 HCF Fluoromethylene 1A'Cs
334 HOF Hypofluorous acid 1A'Cs
335 HOCl hypochlorous acid 1A'Cs
336 CH2Cl chloromethyl radical 2A'Cs
337 H2F2 Hydrogen fluoride dimer 1AgCs
338 CH3F Methyl fluoride 1A1C3v
339 CH3Cl Methyl chloride 1A1C3v
340 SiH3F monofluorosilane 1A1C3v
341 SiH3Cl chlorosilane 1A1C1
342 C3 carbon trimer 1ΣgD∞h
343 C3H3 Propargyl radical 2B1Cs
344 CH2CCH2 allene 1A1D2d
345 CH3CCH propyne 1A'C3v
346 C3H6 Cyclopropane 1A1'D3h
347 CH2CHCH3 Propene 1A'Cs
348 C3H7 n-Propyl radical 2A"C1
349 C3H8 Propane 1A1C2v
350 SiH2(CH3)2 dimethylsilane 1A1C2v
351 Si3H8 trisilane   
352 HN3 hydrogen azide 1A'Cs
353 CH2NN diazomethane 1A1C2v
354 CH3CN Acetonitrile 1A1C3v
355 CH3NC methyl isocyanide 1A1C3v
356 NHCHNH2 aminomethanimine 1AC1
357 C2H5N Aziridine 1A'C1
358 CH3CH2NH2 Ethylamine 1A'Cs
359 CH3NHCH3 Dimethylamine 1A'Cs
360 Li2O dilithium oxide 1ΣgD∞h
361 Li2S dilithium sulfide 1ΣGD∞h
362 Li2S dilithium sulfide 1A1C2v
363 SCN thiocyanato radical 2ΠC∞v
364 SCN- thiocyanide anion 1ΣC∞v
365 BO2 Boron dioxide 2A'D∞h
366 N2O Nitrous oxide 1ΣC∞v
367 NNS Nitrogen sulfide 1ΣC∞v
368 CO2 Carbon dioxide 1ΣgD∞h
369 OCS Carbonyl sulfide 1ΣC∞v
370 SiO2 silicon dioxide 1ΣgD∞h
371 CS2 Carbon disulfide 1ΣgD∞h
372 SiS2 Silicon disulfide 1ΣGD∞h
373 NO2 Nitrogen dioxide 2A1C2v
374 NSO sulfinyl amidogen   
375 PO2 Phosphorus dioxide 2A1C2v
376 SNO Nitrogen oxide sulfide   
377 O3 Ozone 1A1Cs
378 SO2 Sulfur dioxide 1A1C2v
379 SSO Disulfur monoxide 1A'Cs
380 S3 Sulfur trimer 1A1C2v
381 S3 Sulfur trimer   
382 S3- Sulfur trimer anion 2B1C2v
383 S3+ Sulfur trimer cation 2B2C2v
384 HCCO ketenyl radical 2A"Cs
385 HCNO fulminic acid 1ΣC∞v
386 HNCO Isocyanic acid 1A'Cs
387 HOCN cyanic acid 1A'Cs
388 HCO2- formate anion 1A1C2v
389 HOCO Hydrocarboxyl radical 1A'cis
390 HOCO Hydrocarboxyl radical 1A'trans
391 HNO2 Nitrous acid 1A'Cs
392 CH2CO Ketene 1A1C2v
393 HCCOH ethynol 1A'Cs
394 CH2CS Thioketene   
395 CH2O2 Dioxirane 1A1C2v
396 HCOOH Formic acid 1A'Cs
397 HSSSH trisulfane 1AC2
398 HSSSH trisulfane 1A'Cs
399 CH3CO Acetyl radical 2A'Cs
400 CHONH2 formamide 1A'Planar
401 CH3OO methylperoxy radical 2A"Cs
402 C2H4O Ethylene oxide 1A1C2v
403 CH2CHOH ethenol 1A'Cs
404 CH3CHO Acetaldehyde 1A'Cs
405 C2H4S Thiirane 1A1C2v
406 CH3CHS Thioacetaldehyde 1A'C1
407 CH3OOH Methyl peroxide 1AC1
408 CH3SSH Hydrogen methyl disulfide   
409 CH3CH2OH Ethanol 1A'Cs
410 CH3OCH3 Dimethyl ether 1A1C2v
411 CH3CH2SH ethanethiol 1A'Cs
412 CH3SCH3 Dimethyl sulfide 1A1C2v
413 FCN Cyanogen fluoride 1ΣC∞v
414 ClCN chlorocyanogen 1ΣC∞v
415 MgCl2 Magnesium dichloride 1ΣgC2v
416 FNO Nitrosyl fluoride 1A'Cs
417 ClNO Nitrosyl chloride 1A'Cs
418 FNS Thionitrosyl fluoride 1A'Cs
419 FSN Thiazyl fluoride 1A'Cs
420 OPCl Phosphorus oxychloride   
421 CF2 Difluoromethylene 1A1D∞h
422 CCl2 dichloromethylene 1A1C2v
423 SiCl2 Dichlorosilylene 1A1C2v
424 GeCl2 Germanium dichloride 1A1C2v
425 FOO Dioxygen monofluoride radical 2A"Cs
426 ClOO chloroperoxy radical 2A"Cs
427 OClO Chlorine dioxide 2B1D∞h
428 ClSO Sulfur chloride oxide 2A"Cs
429 ClS2 Sulfur chloride 2A"Cs
430 NF2 Difluoroamino radical 2B1C2v
431 FClO chlorosyl fluoride 1A'Cs
432 F2O Difluorine monoxide 1A1C2v
433 ClOF Chlorine hypofluorite 1A'Cs
434 SF2 sulfur difluoride 1A1C2v
435 Cl2O Dichlorine monoxide 1A1C2v
436 SCl2 Sulfur dichloride 1A1C2v
437 SeCl2 Selenium Dichloride   
438 SBr2 Sulfur dibromide   
439 SeBr2 Selenium dibromide   
440 HCCF Fluoroacetylene 1ΣC∞v
441 HFCO formyl fluoride 1A'Cs
442 BHF2 Difluoroborane 1A1C2v
443 BHCl2 Borane, dichloro- 1A1C2v
444 CH2F2 Methane, difluoro- 1A1C2v
445 CH2FCl fluorochloromethane 1A'Cs
446 CH2Cl2 Methylene chloride 1A1C2v
447 SiH2Cl2 dichlorosilane 1A1C2v
448 CH2CHF Ethene, fluoro- 1A'Cs
449 C2H3Cl Ethene, chloro- 1A'Cs
450 C2H5F fluoroethane 1A'Cs
451 C4 Carbon tetramer 3ΣgD∞h
452 C4H2 Diacetylene 1ΣgD∞h
453 C2H3CCH 1-Buten-3-yne 1A'C1
454 H2CCCCH2 Butatriene 1AgD2h
455 C4H6 1-Methylcyclopropene 1AC1
456 C4H6 Cyclobutene 1A1C2v
457 C4H6 Methylenecyclopropane 1A1C2v
458 CH2CCHCH3 1,2-Butadiene 1A'C1
459 CH2CHCHCH2 1,3-Butadiene 1AgC2h
460 CH3CCCH3 2-Butyne 1A1'D3h
461 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
462 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
463 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
464 C(CH3)3 Tert-butyl radical 2A"C3v
465 CH2CH(CH3)2 Isobutyl radical 2A'C1
466 CH3CHCH2CH3 2-Butyl radical 1AC1
467 CH3CH(CH3)CH3 Isobutane 1A1C3v
468 CH3CH2CH2CH3 Butane 1AgAnti
469 SiH(CH3)3 trimethylsilane 1A1C3v
470 C2N2 Cyanogen 1ΣgD∞h
471 P4 Phosphorus tetramer 1A1Td
472 HCCCN Cyanoacetylene 1ΣC∞v
473 C3H3N acrylonitrile 1A'Cs
474 C3H7N Cyclopropylamine 1A'C1
475 C4H8 cyclobutane 1A1D2d
476 C2H8N2 Ethylenediamine 1AgC2h
477 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
478 N(CH3)3 Trimethylamine 1A1C3v
479 B2O2 Diboron dioxide 1ΣgD∞h
480 S2N2 Disulfur dinitride 1AGD2h
481 CO3-- carbonate 1A1'D3h
482 CS3-- Carbonotrithioate   
483 NO3 Nitrogen trioxide 2A1'all bonds equal
484 SO3 Sulfur trioxide 1A1'D3h
485 S4 Sulfur tetramer   
486 S4 Sulfur tetramer   
487 S4 Sulfur tetramer   
488 HNO3 Nitric acid 1A'Cs
489 C2H2O2 Ethanedial 1AgC2h
490 CH3COO- acetate anion 1A'eclipsed
491 CH3ONO Methyl nitrite 1A'C1
492 H3AlO3 Aluminum hydroxide   
493 C3H4O allenol 1A'Cs
494 C3H4O Cyclopropanone 1A1C2v
495 CH2CHCHO Acrolein 1A'Cs
496 NH2CONH2 Urea 1AC2
497 NH2CSNH2 Thiourea 1AC2
498 CH3COOH Acetic acid 1A'Cs
499 CH3OCHO methyl formate 1A'Cs
500 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
501 CH3CHNOH Acetaldoxime 1A'CS trans
502 CH3CONH2 Acetamide 1A'C1
503 CH3CSNH2 Ethanethioamide   
504 C3H6O Propylene oxide 1AC1
505 CH3CH2CHO Propanal 1A'Cs
506 CH3COCH3 Acetone 1A1C2v
507 C3H6S Thietane 1A'Cs
508 C2H6O2 1,2-Ethanediol 1AgC2h
509 CH3SSCH3 Disulfide, dimethyl 1AC2
510 C3H7OH 1-Propanol 1A'Cs
511 CH3CHOHCH3 Isopropyl alcohol 1AC1
512 CH3OC2H5 Ethane, methoxy- 1A'Cs
513 C2F2 difluoroacetylene 1ΣgD∞h
514 C2Cl2 dichloroacetylene 1ΣgC2h
515 ClNO2 Nitryl chloride 1A1C2v
516 N2F2 (Z)-Difluorodiazene 1A1C2v
517 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
518 CF2O Carbonic difluoride 1A1C2v
519 CCl2O Phosgene 1A1C2v
520 Cl2CS Thiophosgene 1A1C2v
521 BF3 Borane, trifluoro- 1A'D3h
522 AlF3 Aluminum trifluoride 1A1'D3h
523 AlF2Cl Aluminum chloride difluoride 1A1C2v
524 AlFCl2 Aluminum dichloride fluoride 1A1C2v
525 BCl3 Borane, trichloro- 1A1'D3h
526 AlCl3 Aluminum trichloride 1A1'D3h
527 ClO3- chlorate anion 1A1C3v
528 CF3 Trifluoromethyl radical 2A1C3v
529 SiF3 Silicon trifluoride radical 2A1C3v
530 SiCl3 trichlorosilyl radical 2A1C3v
531 SiCl3+ trichlorosilyl cation 1A1'D3h
532 ClO2F Chloryl fluoride 1A'Cs
533 F2SO Thionyl Fluoride 1A'Cs
534 FSSF Difluorodisulfane 1AC2
535 S2F2 Thio-thionyl fluoride 1A'Cs
536 SOCl2 thionyl chloride 1A'Cs
537 SSCl2 Thiothionyl chloride   
538 NF3 Nitrogen trifluoride 1A1C3v
539 PF3 Phosphorus trifluoride 1A1C3v
540 NCl3 nitrogen trichloride 1A1C3v
541 PCl3 Phosphorus trichloride 1A1C3v
542 ClSSCl Disulfur dichloride 1AC2
543 SF3 Sulfur trifluoride 2A'Cs
544 ClF3 Chlorine trifluoride 1A1'D3h
545 ClF3 Chlorine trifluoride 1A1C2v
546 HClO3 Chloric Acid 1AC1
547 CHF3 Methane, trifluoro- 1A1C3v
548 CHF2Cl difluorochloromethane 1A'Cs
549 CHFCl2 fluorodichloromethane 1A'Cs
550 CHCl3 Chloroform 1A1C3v
551 SiHCl3 Trichlorosilane 1A1C3v
552 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
553 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
554 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
555 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
556 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
557 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
558 CH3COF Acetyl fluoride 1A'NULL
559 CH3COCl Acetyl Chloride 1A'Cs
560 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
561 C5H5- cylopentadienyl anion 1A1'D5h
562 C5H6 1,3-Cyclopentadiene 1A1C2v
563 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
564 C5H6 3-Penten-1-yne, (E)- 1A'Cs
565 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
566 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
567 C5H6 Cyclopropylacetylene 1A'C1
568 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
569 C5H8 1,2-Pentadiene 1A'C1
570 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
571 C5H8 1,3-Pentadiene, (E)- 1A'C1
572 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
573 C5H8 1,4-Pentadiene 1AC2
574 C5H8 2,3-Pentadiene 1AC1
575 C5H8 Cyclobutane, methylene- 1A'Cs
576 C5H8 Cyclopentene 1A'Cs
577 C5H10 1-Butene, 2-methyl- 1AC1
578 C5H10 2-Butene, 2-methyl- 1A'Cs
579 C5H10 2-Pentene, (E)- 1A'Cs
580 C5H10 2-Pentene, (Z)- 1AC1
581 C5H10 Cyclopentane 1AC1
582 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
583 CH2CHCH2CH2CH3 1-pentene 1AC1
584 C5H11 2-Methylbut-2-yl radical 1AC1
585 C5H12 Butane, 2-methyl- 1AC1
586 C5H12 Pentane 1A1C2v
587 C5H12 Propane, 2,2-dimethyl- 1A1Td
588 Si(CH3)4 tetramethylsilane 1A1Td
589 N2O3 Dinitrogen trioxide 1A'Cs
590 C3H2N2 Malononitrile 1A1Cs
591 C3H4N2 1H-Imidazole 1A'Cs
592 C3H4N2 1H-Pyrazole 1A'Cs
593 C4H5N (E)-2-Butenenitrile 1A'Cs
594 C4H5N (Z)-2-Butenenitrile 1A'Cs
595 C4H5N Cyclopropanecarbonitrile 1A'Cs
596 C4H5N Pyrrole 1A1C2v
597 C3H6N2 3-Aminopropionitrile 1A'Cs
598 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
599 C5H8 Spiropentane 1A1D2d
600 C4H9N Cyclobutylamine 1A'Cs
601 C4H9N Pyrrolidine 1A'Cs
602 C3H10N2 1,2-Diaminopropane 1AC1
603 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
604 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
605 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
606 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
607 C3O2 Carbon suboxide 1ΣGD∞h
608 PO4--- phosphate 1A1Td
609 SO4-- sulfate 1A1Td
610 H2SO4 Sulfuric acid 1AC1
611 C3H3NO Isoxazole 1A'Cs
612 CH3NO3 Methyl nitrate 1A'Cs
613 C4H4O Furan 1A1C2
614 C4H4S Thiophene 1A1C2v
615 C3H4O2 β–Propiolactone 1A'Cs
616 C3H4O2 2-Propenoic acid 1A'Cs
617 C3H4O2 propanedial 1AC1
618 C3H4O2 propenalol 1A'Cs
619 CH2CHCONH2 Acrylamide 1ACs
620 CH3OCH2CN Methoxyacetonitrile 1AC1
621 H2NCH2COOH Glycine 1A'Cs
622 C4H6O cis-2-butenal 1ACs
623 C4H6O Cyclobutanone 1A1C2v
624 C4H6O Furan, 2,3-dihydro- 1AC1
625 C4H6O Furan, 2,5-dihydro- 1A1Cs
626 CH2CHOCHCH2 Vinyl ether 1A1C2v
627 CHOCHCHCH3 2-Butenal 1A'Cs
628 C2H6N2O Urea, methyl- 1AC1
629 C3H6O2 1,3-Dioxolane 1AC1
630 CH3COOCH3 methyl acetate 1A'Cs
631 C2H6O2S Dimethyl sulfone 1A1C2v
632 C3H7NO Propanamide 1A'C1
633 C2H3OC2H5 Ethene, ethoxy- 1AC1
634 C4H8O Cyclobutanol 1A'C1
635 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
636 CH3COCH2CH3 2-Butanone 1AC1
637 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
638 CHOCH2CH2CH3 Butanal 1A'Cs
639 C3H8O2 1,3-Propanediol 1A1C1
640 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
641 C3H8O2 Methane, dimethoxy- 1AC2
642 C3H8O2 Propylene glycol 1AC1
643 C4H10O 1-Propanol, 2-methyl- 1AC1
644 C4H10O 2-Butanol, (.+/-.)- 1AC1
645 C4H10O Ethanol, 1,1-dimethyl- 1AC1
646 C4H10O Ethoxy ethane 1A1C2v
647 C4H10O Propane, 2-methoxy- 1A'Cs
648 FNO3 Fluorine nitrate 1A'Cs
649 ClO4- perchlorate anion 1A1Td
650 BF4- tetrafluoroboron anion 1A1Td
651 ClFO3 Perchloryl fluoride 1A1Cs
652 SO2Cl2 Sulfuryl chloride 1A1C2v
653 F3NO Nitrogen trifluoride oxide 1A1C3v
654 F3PO Phosphoryl fluoride 1A1C3v
655 Cl3PO Phosphoryl chloride 1A1C3v
656 CF4 Carbon tetrafluoride 1A1Td
657 CF3Cl Methane, chlorotrifluoro- 1A1C3v
658 SiF4 Silicon tetrafluoride 1A1Td
659 CF2Cl2 difluorodichloromethane 1A1C2v
660 CFCl3 Trichloromonofluoromethane 1A1C3v
661 CCl4 Carbon tetrachloride 1A1Td
662 SiCl4 Silane, tetrachloro- 1A1Td
663 SF4 Sulfur tetrafluoride 1A1C2v
664 C2HF3 Trifluoroethylene 1A'Cs
665 CHClCCl2 Trichloroethylene 1A'Cs
666 HClO4 perchloric acid 1ACs
667 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
668 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
669 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
670 SiH3CCl3 (trichloromethyl)silane 1A1C3v
671 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
672 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
673 C6H5 phenyl 2A1C2v
674 C6H6 2,4-Hexadiyne 1A1'D3h
675 C6H6 Benzene 1A1gD6h
676 C6H8 (E)-hexa-1,3,5-triene 1AgCs
677 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
678 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
679 C6H8 1,4-Cyclohexadiene 1AgC2v
680 C6H8 3-Methylenecyclopentene 1AC1
681 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
682 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
683 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
684 C6H10 1,3-Hexadiene, (E)- 1A'Cs
685 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
686 C6H10 1,4-Hexadiene, (E)- 1AC1
687 C6H10 1,4-Hexadiene, (Z)- 1AC1
688 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
689 C6H10 1-Hexyne 1A'Cs
690 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
691 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
692 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
693 C6H10 2-Hexyne 1A'C1
694 C6H10 cyclohexene 1AC2
695 C6H10 Cyclopentene, 1-methyl- 1AC1
696 C6H10 Cyclopentene, 3-methyl- 1AC1
697 C6H10 Cyclopentene, 4-methyl- 1AC1
698 C6H12 (E)-3-methylpent-2-ene 1AC1
699 C6H12 (Z)-3-methylpent-2-ene 1AC1
700 C6H12 3-methylenepentane 1AC1
701 C6H12 Cyclohexane 1A1gChair
702 C6H12 Cyclopentane, methyl- 1AC1
703 C6H12 Ethylcyclobutane 1AC1
704 C6H12 hex-1-ene 1A'Cs
705 C6H14 Butane, 2,2-dimethyl- 1A'C1
706 C6H14 Butane, 2,3-dimethyl- 1AgC2h
707 C6H14 Hexane 1AgC2h
708 C6H14 Pentane, 2-methyl- 1AC1
709 C6H14 Pentane, 3-methyl- 1A'Cs
710 C4N2 2-Butynedinitrile 1ΣgD∞h
711 C3H3N3 1,3,5-Triazine 1A1'D3h
712 CH3N5 5-Aminotetrazole 1AC1
713 C4H4N2 1,3-Diazine 1A1C2v
714 C4H4N2 Pyrazine 1AgD2h
715 C4H4N2 Pyridazine 1A1C2v
716 C4H4N2 Succinonitrile 1AgC2h
717 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
718 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
719 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
720 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
721 C5H5N Pyridine 1A1C2v
722 C6H6 Fulvene 1A1C2v
723 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
724 C5H7N (E)-2-Pentenenitrile 1A'Cs
725 C5H7N (E)-3-Pentenenitrile 1AC1
726 C5H7N (Z)-2-Pentenenitrile 1AC1
727 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
728 C5H7N Cyclobutanecarbonitrile 1A'Cs
729 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
730 C5H9N Butanenitrile, 2-methyl- 1AC1
731 C5H9N Pentanenitrile 1A'Cs
732 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
733 C5H11N Cyclopentanamine 1A'Cs
734 C5H11N Piperidine 1A'NH equatorial
735 C5H11N Piperidine 1A'NH axial
736 C4H12N2 1,2-Butanediamine 1AC1
737 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
738 N2O4 Dinitrogen tetroxide 1AgD2d
739 C2H3NO3 Oxamic acid 1A'H out
740 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
741 C2H4N2O2 Oxalamide 1AgC2h
742 C4H5NO 3-Methylisoxazole 1AC1
743 C4H5NO Isoxazole, 5-methyl- 1AC1
744 C4H6O2 2-Propenoic acid, methyl ester 1AC1
745 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
746 C2H6N2O2 Dimethylnitroamine 1AC1
747 C3H6O3 1,3,5-Trioxane 1A1C1
748 C4H7NO 2-Pyrrolidinone 1AC1
749 C4H7NO Methacrylamide 1AC1
750 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
751 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
752 CH3CH(NH2)COOH Alanine 1AC1
753 CH3NHCH2COOH Sarcosine 1AC1
754 NH2CH2CH2COOH β–alanine 1AC1
755 NH2COOC2H5 Urethane 1AC1
756 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
757 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
758 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
759 NH2CONHC2H5 Urea, ethyl- 1AC1
760 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
761 C4H8O2 1,4-Dioxane 1AgC2h
762 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
763 C3H8O3 1,2,3-Propanetriol 1AC1
764 C4H9NO Butanamide 1AC1
765 C4H9NO Propanamide, 2-methyl- 1AC1
766 C5H10O 2H-Pyran, tetrahydro- 1A'C1
767 C5H10O 2-Pentanone 1AC1
768 C5H10O 3-Pentanone 1A1C2v
769 C5H10O Cyclopentanol 1AC1
770 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
771 C5H10O Pentanal 1A'C1
772 C4H10O2 1,1-Dimethoxyethane 1A'Cs
773 C4H10O2 1,3-Butanediol 1AC1
774 C4H10O2 1,4-Butanediol 1AgC2h
775 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
776 C4H11NO Diethylhydroxylamine 1A'Cs
777 C5H12O 1-Butanol, 2-methyl- 1AC1
778 C5H12O 1-Butanol, 3-methyl- 1A'Cs
779 C5H12O 1-Pentanol 1A'Cs
780 C5H12O 2-Butanol, 3-methyl- 1AC1
781 C5H12O 2-Pentanol 1AC1
782 C5H12O 3-Pentanol 1AC1
783 C5H12O Butane, 1-methoxy- 1A'Cs
784 C5H12O Propane, 1-ethoxy- 1A'Cs
785 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
786 CF3CN Acetonitrile, trifluoro- 1A1C3v
787 B2F4 Diboron tetrafluoride 1A1D2d
788 B2Cl4 Diboron tetrachloride 1A1D2
789 C2F4 Tetrafluoroethylene 1AgD2h
790 C2Cl4 Tetrachloroethylene 1AgD2h
791 CF3OF Trifluoromethylhypofluorite 1A'Cs
792 SiF5- silicon pentafluoride anion   
793 SOF4 Sulfur tetrafluoride oxide 1A1C2v
794 PF5 Phosphorus pentafluoride 1A1'D3h
795 PCl5 Phosphorus pentachloride 1A1'C4v
796 ClF5 chlorinepentafluoride 1A1C4v
797 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
798 C6H5CH2 benzyl radical 2B1Cs
799 C6H5CH3 toluene 1A'Cs
800 C7H12 Norbornane 1A1C2v
801 C7H16 2-methylhexane 1AC1
802 C7H16 heptane 1A1C2v
803 N2O5 Dinitrogen pentoxide  C2
804 C6H5OH phenol 1A'Cs
805 C6H10O cyclohexanone 1A'Cs
806 PF6- Hexafluorophosphate ion 1A1GOh
807 SF6 Sulfur Hexafluoride 1A1GOh
808 SF5Cl sulfur chloropentafluoride 1A1C4v
809 C6H5F Fluorobenzene 1A1C2v
810 C6H5CCH phenylacetylene 1A1C2v
811 C6H5CHCH2 Styrene 1A'Cs
812 C8H8 cubane 1A1GOh
813 C8H8 cyclooctatetraene 1A1D2d
814 C6H5CN phenyl cyanide 1A1C2v
815 S8 Octasulfur 1A1D4d
816 C6H5CHO benzaldehyde 1A'Cs
817 C6H5OCH3 Anisole 1A'Cs
818 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
819 C2F6 hexafluoroethane 1A1gD3d
820 C6H5NO2 Nitrobenzene 1A1C2v
821 C6H5COOH benzoic acid 1A'Cs
822 C10H8 naphthalene 1AgD2h
823 C10H16 adamantane 1A1Td
824 C12H10 biphenyl 1AD2

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 al  
40 Al- Aluminum atom anion al-  
41 Al+ Aluminum atom cation al+  
42 Sc Scandium atom sc  
43 Sc+ Scandium cation sc+  
44 Ga Gallium atom ga  
45 Ga- Gallium atom anion ga-  
46 Ga+ Gallium atom cation ga+  
47 AlH- aluminum monohydride anion alh-  
48 AlH+ aluminum monohydride cation alh+  
49 ScH Scandium monohydride sch  
50 ScH+ Scandium monohydride cation sch+  
51 GaH Gallium monohydride gah  
52 GaH+ Gallium monohydride cation gah+  
53 BH2- boron dihydride anion bh2-  
54 BH2+ Boron dihydride cation bh2+  
55 AlH2- aluminum dihydride anion alh2-  
56 AlH2+ aluminum dihydride cation alh2+  
57 BH3- boron trihydride anion bh3-  
58 AlH3- aluminum trihydride anion alh3-  
59 AlH3+ aluminum trihydride cation alh3+  
60 ScH3 Scandium trihydride sch3  
61 GaH3 Gallium trihydride gah3  
62 BH4 borohydride bh4  
63 C- Carbon atom anion c-  
64 C+ Carbon atom cation c+  
65 Si- Silicon atom anion si-  
66 Si+ Silicon atom cation si+  
67 Ti Titanium atom ti  
68 Ti- Titanium atom anion ti-  
69 Ti+ Titanium atom cation ti+  
70 Ge Germanium atom ge  
71 Ge- Germanium anion ge-  
72 Ge+ Germanium cation ge+  
73 Sn Tin atom sn  
74 Sn+ Tin cation sn+  
75 SiH- silicon monohydride anion sih-  
76 SiH+ silicon monohydride cation sih+  
77 GeH germylidene geh  
78 GeH+ Germaniun monohyrdide cation geh+  
79 SiH2- silicon dihydride anion sih2-  
80 SiH2+ silicon dihydride cation sih2+  
81 GeH2 germylene geh2  
82 GeH2- germylene anion geh2-  
83 SiH3- Silyl anion sih3-  
84 GeH3 Germyl radical geh3  
85 GeH3+ germyl cation geh3+  
86 CD4 methane-d4 cd4  
87 CH2D2 methane-d2 ch2d2  
88 CH3D methane-d ch3d  
89 CH4- Methane anion ch4-  
90 CHD3 methane-d3 chd3  
91 SiH2D2 silane-d2 sih2d2  
92 SiH4+ Silane cation sih4+  
93 GeH4 Germane geh4  
94 SnH4 Stannane snh4  
95 SiH5+ Silane, protonated sih5+  
96 N Nitrogen atom n  
97 N- Nitrogen atom anion n-  
98 N+ Nitrogen atom cation n+  
99 P- Phosphorus atom anion p-  
100 P+ Phosphorus atom cation p+  
101 V Vanadium atom v  
102 V+ Vanadium atom cation v+  
103 As Arsenic atomic as  
104 As- Arsenic anion as-  
105 As+ Arsenic cation as+  
106 Sb Antimony atom sb  
107 PH- phosphorus monohydride anion ph-  
108 PH+ phosphorus monohydride cation ph+  
109 AsH Arsenic monohydride ash  
110 AsH+ Arsenic monohydride cation ash+  
111 SbH Antimony monohydride sbh  
112 NH2+ Amino cation nh2+  
113 PH2- Phosphino anion ph2-  
114 PH2+ Phosphino cation ph2+  
115 AsH2 Arsenic dihydride ash2  
116 AsH2+ Arsenic dihydride cation ash2+  
117 NH3- Ammonia anion nh3-  
118 PH3+ Phosphine cation ph3+  
119 AsH3 Arsine ash3  
120 AsH3+ Arsine cation ash3+  
121 SbH3 Stibine sbh3  
122 AsH4+ Arsonium ash4+  
123 NH4 Ammonium radical nh4  
124 PH4 Phosphoranyl radical ph4  
125 O- Oxygen atom anion o-  
126 O+ Oxygen atom cation o+  
127 S- Sulfur atom anion s-  
128 S+ Sulfur atom cation s+  
129 Cr Chromium atom cr  
130 Se Selenium atom se  
131 Se- Selenium atom anion se-  
132 Se+ Selenium atom cation se+  
133 Te Tellurium atom te  
134 Te+ Tellurium atom cation te+  
135 CrH Chromium hydride crh  
136 CrH+ Chromium hydride cation crh+  
137 HSe Selenium monohydride hse  
138 HSe- selenium monohydride anion hse-  
139 HSe+ selenium monohydride cation hse+  
140 TeH Telluryl radical teh  
141 H2S- Hydrogen sulfide anion h2s-  
142 H2Se Hydrogen selenide h2se  
143 H2Se+ Hydrogen selenide cation h2se+  
144 H2Te Hydrogen Telluride h2te  
145 H3Se+ Hydrogen Selenide, protonated h3se+  
146 F- Fluorine atom anion f-  
147 F+ Fluorine atom cation f+  
148 Cl- Chlorine atom anion cl-  
149 Cl+ Chlorine atom cation cl+  
150 Mn Manganese atom mn  
151 Br Bromine atom br  
152 Br- Bromine atom anion br-  
153 Br+ Bromine atom cation br+  
154 I Iodine atom iodine  
155 I- Iodine atom anion iodine-  
156 I+ Iodine atom cation iodine+  
157 DCl Hydrochloric acid-d dcl  
158 HBr hydrogen bromide hbr  
159 HBr- hydrogen bromide anion hbr-  
160 HBr+ hydrogen bromide cation hbr+  
161 HI Hydrogen iodide hi  
162 HI+ Hydrogen iodide cation hi+  
163 H2Br+ protonated hydrogen bromide h2br+  
164 H2I+ Iodonium h2i+  
165 Ne- Neon atom anion ne-  
166 Ne+ Neon atom cation ne+  
167 Ar Argon atom ar  
168 Ar- Argon atom anion ar-  
169 Ar+ Argon atom cation ar+  
170 Fe Iron atom fe  
171 Kr Krypton atom kr  
172 Kr+ Krypton cation kr+  
173 Xe Xenon atom xe  
174 HeLi+ Helium Lithium cation heli+  
175 NeH neon hydrogen neh  
176 ArH+ Argon hydride cation arh+  
177 KrH+ Protonated Krypton krh+  
178 XeH+ Xenon, protonated xeh+  
179 H2Ar H2 Ar dimer h2ar  
180 Co Cobalt atom cobalt  
181 Ni Nickel atom ni  
182 LiK Lithium Potassium lik  
183 NaK Sodium Potassium nak  
184 NaK+ Sodium Potassium diatomic cation nak+  
185 K2 Potassium diatomic k2  
186 Cu2 Copper diatomic cu2  
187 LiBe Lithium Beryllium libe  
188 LiMg Lithium magnesium limg  
189 NaBe Sodium Beryllium nabe  
190 NaMg Sodium Magnesium namg  
191 Be2 Beryllium diatomic be2  
192 BeMg Beryllium Magnesium bemg  
193 Ca2 Calcium diatomic ca2  
194 LiB Lithium boride lib  
195 LiAl Lithium Aluminum lial  
196 NaAl Sodium aluminum naal  
197 BeB Beryllium monoboride beb  
198 B2+ Boron diatomic cation b2+  
199 Al2 Aluminum diatomic al2  
200 Al2- aluminum diatomic anion al2-  
201 Al2+ aluminum diatomic cation al2+  
202 BGa Boron Gallium bga  
203 AlGa Aluminum Gallium alga  
204 Ga2 Gallium diatomic ga2  
205 HBBH Diborane(2) hbbh  
206 LiBH4 Lithium borohydride libh4  
207 B2H4 Diborane(4) D2d b2h4  
208 HBHHBH Diborane(4) C2V hbhhbh  
209 B2H6+ Diborane cation b2h6  
210 Al2H6 dialane al2h6  
211 Ga2H6 digallane ga2h6  
212 LiC Lithium Carbide lic  
213 BeC Beryllium Carbide bec  
214 CaC Calcium monocarbide cac  
215 BC boron monocarbide 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 cation nnh+  
271 HPO+ Hydrogen phosphorus oxide cation hpo+  
272 LiNH2 lithium amide linh2  
273 HBNH Boranimine hbnh  
274 CNH2 Aminomethylidyne radical cnh2  
275 CNH2+ N-protonated hydrogen isocyanide cnh2+  
276 H2CN Dihydrogen cyanide radical h2cn  
277 H2CN+ hydrocyanonium cation h2cn+  
278 HCNH methyleneazane hcnh  
279 HCNH+ N-protonated HCN hcnh+  
280 H2NN Isodiazene h2nn  
281 N2H2 (Z)-Diazene n2h2z  
282 N2H2+ trans-diazene cation n2h2+  
283 CH2NH+ Methanimine cation ch2nh+  
284 CHNH2 aminomethylene chnh2  
285 CHNH2+ Aminocarbene cation chnh2+  
286 BH2NH2 Boranamine bh2nh2  
287 N2H4+ hydrazine cation n2h4+  
288 CH3NH2+ methyl amine cation ch3nh2+  
289 CH3PH2 Methyl phosphine ch3ph2  
290 SiH3NH2 Silane, amino sih3nh2  
291 N2H5+ protonated hydrazine n2h5+  
292 CH3NH3 methyl ammonium radical ch3nh3  
293 CH3PH3+ methyl phosphine, protonated ch3ph3+  
294 NH3NH3 Ammonia Dimer nh3nh3  
295 N2H7+ ammonia ammonium dimer n2h7+  
296 LiS+ Lithium sulfide cation lis+  
297 KO Potassium monoxide ko  
298 KO+ Potassium monoxide cation ko+  
299 NaS Sodium sulfide nas  
300 CuO Copper Monoxide cuo  
301 LiSe Lithium monoselenide lise  
302 CaO Calcium monoxide cao  
303 MgS- magnesium sulfide anion mgs-  
304 MgS+ magnesium sulfide cation mgs+  
305 ZnO zinc monoxide zno  
306 ZnS Zinc sulfide zns  
307 BeS- Beryllium monosulfide anion bes-  
308 BeS+ Beryllium monosulfide cation bes+  
309 AlO- Aluminum monoxide anion alo-  
310 AlO+ aluminum monoxide cation alo+  
311 BS- boron monosulfide anion bs-  
312 BS+ boron monosulfide cation bs+  
313 AlS- aluminum monosulfide anion als-  
314 AlS+ aluminum monosulfide cation als+  
315 ScO Scandium monoxide sco  
316 GaO Gallium monoxide gao  
317 GaS Gallium monosulfide gas  
318 CS- carbon monosulfide anion cs-  
319 CS+ carbon monosulfide cation cs+  
320 SiO- silicon monoxide anion sio-  
321 SiO+ silicon monoxide cation sio+  
322 SiS- silicon monosulfide anion sis-  
323 SiS+ silicon monosulfide cation sis+  
324 TiO Titanium monoxide tio  
325 CSe Carbon monoselenide cse  
326 CSe- Carbon monoselenide anion cse-  
327 CSe+ Carbon monoselenide cation cse+  
328 GeO+ Germanium monoxide cation geo+  
329 GeS Germanium monosulfide ges  
330 SiSe+ Silicon Monoselenide cation sise+  
331 GeSe Germanium monoselenide gese  
332 NS- nitrogen sulfide anion ns-  
333 NS+ nitrogen sulfide cation ns+  
334 PO- phosphorus monoxide anion po-  
335 PO+ phosphorus monoxide cation po+  
336 PS- phosphorus monosulfide anion ps-  
337 PS+ phosphorus monosulfide cation ps+  
338 VO Vanadium monoxide vo  
339 AsO Arsenic monoxide aso  
340 NSe Nitrogen monoselenide nse  
341 AsS Arsenic monosulfide ass  
342 PSe Phosphorus monoselenide pse  
343 AsSe Arsenic monoselenide asse  
344 O2-- dioxygen dianion o2--  
345 SO- sulfur monoxide anion so-  
346 SO+ sulfur monoxide cation 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 NaOH sodium hydroxide naoh  
359 KOH Potassium hydroxide koh  
360 CaOH Calcium monohydroxide caoh  
361 COH Hydroxymethylidyne coh  
362 COH+ Carbon Monoxide, protonated coh+  
363 HCO- formyl anion hco-  
364 HCS- Thioformyl anion hcs-  
365 HCS+ Thioformyl cation hcs+  
366 NOH Hydroxyimidogen noh  
367 NOH+ O-protonated nitric oxide noh+  
368 HNS Sulfur imide hns  
369 HNS- Sulfur imide anion hns-  
370 HO2+ Hydroperoxy cation ho2+  
371 HS2 Thiosulfeno radical hs2  
372 H2CO- formaldehyde anion h2co-  
373 HOCH hydroxycarbene hoch  
374 H2CS- thioformaldehyde anion h2cs-  
375 H2CS+ thioformaldehyde cation h2cs+  
376 H2NO nitroxide h2no  
377 H2O2+ Hydrogen peroxide cation h2o2+  
378 H2OO water oxide h2oo  
379 HOSH hydrogen thioperoxide hosh  
380 H2Se2 hydrogen diselenide h2se2  
381 CH3O- methoxy anion ch3o-  
382 CH3O+ Methoxy cation ch3o+  
383 NH2OH+ Hydroxylamine cation nh2oh+  
384 NH3O Ammonia Oxide nh3o  
385 NH2SH Thiohydroxylamine nh2sh  
386 NH3S sulfidoazane nh3s  
387 H3O2+ hydrogen peroxide, protonated h3o2+  
388 CH3OH- Methyl alcohol anion ch3oh-  
389 CH3OH+ Methyl alcohol cation ch3oh+  
390 CH3SH+ Methanethiol cation ch3sh+  
391 SiH3OH silanol sih3oh  
392 CH3SeH Methane selenol ch3seh  
393 NH2OH2+ protonated hydroxylamine nh2oh2+  
394 NH3OH+ N-protonated hydroxylamine nh3oh+  
395 H2OH2O water dimer h2oh2o  
396 CH3OH2+ Methanol, protonated ch3oh2+  
397 H2ONH3 Water Ammonia Dimer h2onh3  
398 H5O2+ Dihydroxonium ion h5o2+  
399 KF Potassium Fluoride kf  
400 KCl Potassium Chloride kcl  
401 CuF Copper monofluoride cuf  
402 LiBr Lithium Bromide libr  
403 LiBr- lithium bromide anion libr-  
404 LiBr+ lithium bromide cation libr+  
405 CuCl Copper monochloride cucl  
406 NaBr Sodium Bromide nabr  
407 NaBr- sodium bromide anion nabr-  
408 NaBr+ sodium bromide cation nabr+  
409 KBr Potassium Bromide kbr  
410 LiI Lithium Iodide lii  
411 NaI Sodium Iodide nai  
412 KI Potassium Iodide ki  
413 CaF Calcium monofluoride caf  
414 CaCl calcium monochloride cacl  
415 TiCl Titanium Monochloride ticl  
416 ZnF Zinc monofluoride znf  
417 ZnF- Zinc monofluoride anion znf-  
418 ZnF+ Zinc monofluoride cation znf+  
419 ZnCl Zinc monochloride zncl  
420 CaBr Calcium monobromide cabr  
421 AlF- Aluminum monofluoride anion alf-  
422 AlF+ Aluminum monofluoride cation alf+  
423 ScF Scandium monofluoride scf  
424 BBr Boron monobromide bbr  
425 GaF Gallium monofluoride gaf  
426 GaF+ Gallium monofluoride cation gaf+  
427 AlBr Aluminum monobromide albr  
428 GaCl Gallium monochloride gacl  
429 GaCl+ Gallium monochloride cation gacl+  
430 AlI Aluminum monoiodide ali  
431 GaBr Gallium monobromide gabr  
432 SiF- silicon monofluoride anion sif-  
433 CBr Carbon monobromide cbr  
434 GeF Germanium monofluoride gef  
435 GeF+ Germanium monofluoride cation gef+  
436 GeCl Germanium monochloride gecl  
437 GeCl+ Germanium monochloride cation gecl+  
438 SiBr Silicon monobromide sibr  
439 SiBr+ Silicon monobromide cation sibr+  
440 PF- phosphorus monofluoride anion pf-  
441 PF+ phosphorus monofluoride cation pf+  
442 AsF Arsenic monofluoride asf  
443 NBr nitrogen monobromide nbr  
444 AsCl Arsenic monochloride ascl  
445 PBr Phosphorus monobromide pbr  
446 SbF Antimony monofluoride sbf  
447 SbCl Antimony monochloride sbcl  
448 ClO- chlorine monoxide anion clo-  
449 SF- sulfur monofluoride anion sf-  
450 BrO Bromine monoxide bro  
451 BrO- Bromine monoxide anion bro-  
452 BrO+ Bromine monoxide cation bro+  
453 SeF Selenium monofluoride sef  
454 SBr+ Sulfur monobromide cation sbr+  
455 SeCl Selenium monochloride secl  
456 IO Iodine monoxide io  
457 SeBr Selenium monobromide sebr  
458 BrCl Bromine monochloride brcl  
459 BrF Bromine monofluoride brf  
460 BrF- bromine fluoride anion brf-  
461 BrF+ bromine fluoride cation brf+  
462 BrCl- bromine chloride anion brcl-  
463 BrCl+ bromine chloride cation brcl+  
464 IF Iodine monofluoride if  
465 Br2 Bromine diatomic br2  
466 Br2- bromine diatomic anion br2-  
467 Br2+ bromine diatomic cation br2+  
468 ICl Iodine monochloride icl  
469 IBr Iodine monobromide ibr  
470 I2 Iodine diatomic i2  
471 I2+ Iodine diatomic cation i2+  
472 HCCl Chloromethylene hccl  
473 HSiF fluorosilylene hsif  
474 HSiCl Chlorosilylene hsicl  
475 HSiBr monobromosilylene hsibr  
476 CHBr bromomethylene chbr  
477 DOCl Hypochlorous acid-d docl  
478 HOCl+ hypochlorous acid cation hocl+  
479 HOBr Hypobromous acid hobr  
480 HOBr+ Hypobromous acid cation hobr+  
481 HOI Hypoiodous acid hoi  
482 F2H+ Fluorine, protonated f2h+  
483 FHF Hydrogen difluoride fhf  
484 FHF- Hydrogen difluoride anion fhf-  
485 ClFH+ Chlorine fluoride, F-protonated clfh+  
486 FClH+ Chlorine fluoride, Cl-protonated fclh+  
487 Cl2H+ Chlorine, protonated cl2h+  
488 CH2Br bromomethyl radical ch2br  
489 CH2F fluoromethyl radical ch2f  
490 CH2F+ fluoromethyl cation ch2f+  
491 CH2Cl+ chloromethyl cation ch2cl+  
492 NH2Cl chloramine nh2cl  
493 CH3F+ methyl fluoride cation ch3f+  
494 CD3F methylfluoride-d3 cd3f  
495 CD3Cl methyl chloride d3 cd3cl  
496 CH3Cl+ Methyl chloride cation ch3cl+  
497 CH3Br methyl bromide ch3br  
498 GeH3F monofluorogermane geh3f  
499 GeH3Cl monochlorogermane geh3cl  
500 SiH3Br bromosilane sih3br  
501 CH3I methyl iodide ch3i  
502 SiH3I Silyl Iodide sih3i  
503 NH3Cl+ protonated monochloroammonia nh3cl+  
504 CH3ClH+ methyl chloride, protonated ch3clh+  
505 NH4Cl Ammonium chloride nh4cl  
506 LiNe+ Lithium Neon cation line+  
507 Ne2 Neon diatomic ne2  
508 Ne2+ Neon diatomic cation ne2+  
509 Ar2 Argon diatomic ar2  
510 Ar2+ Argon diatomic cation ar2+  
511 Li3 Lithium trimer li3  
512 Li3+ Lithium trimer cation li3+  
513 SiC2 Silicon dicarbide sic2  
514 C3H3 cyclopropenyl radical cpr  
515 C3H3- Propargyl anion c3h3-  
516 C3H5 Allyl radical allyl  
517 C3H5+ Allyl cation allyl+  
518 CH3CHCH 1-propenyl radical ch3chch  
519 Zn(CH3)2 dimethyl zinc dmz  
520 C3H7+ cyclopropane, protonated c3h7+  
521 CH3CHCH3 Isopropyl radical isopropyl  
522 CH3CHCH3+ Isopropyl cation prop2yl+  
523 LiCN lithium cyanide licn  
524 NaCN Sodium Cyanide nacn  
525 KCN Potassium cyanide kcn  
526 CuCN Copper cyanide cucn  
527 ZnCN Zinc monocyanide zncn  
528 ZnNC Zinc isocyanide znnc  
529 AlCN Aluminum monocyanide alcn  
530 AlNC Aluminum isocyanide alnc  
531 CN2 3H-Diazirin-3-ylidene cn2  
532 CNN Diazocarbene cnn  
533 NCN Cyanoimidogen ncn  
534 N3+ azide cation n3+  
535 HCCN cyanomethylene hccn  
536 HCNN diazomethyl radical hcnn  
537 HN3+ Hydrazoic acid cation hn3+  
538 HNCNH diiminomethane hncnh  
539 CH2N2 diazirine ch2n2  
540 HNNNH+ 1,2-Triazadienium n2h3+  
541 NH2NN+ hydrazoic acid, protonated nh2nn+  
542 CH3CN- acetonitrile anion ch3cn-  
543 CHNCH2 2H-Azirine c157164  
544 CHNHCH 1H-Azirine chnhch  
545 H2CCNH Ethenimine ch2cnh  
546 H2CNCH methyleneaminomethylene ch2nch  
547 HCCNH2 Ethynamine hccnh2  
548 HCNCH2+ 2H-Azirine cation hcnch2+  
549 HNCNH2+ diiminomethane, protonated hncnh2+  
550 NCNH3+ Cyanamide, protonated ncnh3+  
551 NH2CNH+ cyanamide, cn protonated nh2cnh+  
552 NH3CN+ cyanamide, amine protonated nh3cn+  
553 CH2CHNH vinylazine ch2chnh  
554 CH3CHN methylmethaniminyl radical ch3chn  
555 CH2CHNH2 aminoethene aminoethene  
556 CH3CHNH ethanimine ethanimine  
557 NH2BHNH2 diaminoborane nh2bhnh2  
558 C2H5NH+ Protonated Aziridine c2h5nh+  
559 C2H6N+ aziridine, protonated c2h6n+  
560 NH2CH2NH2 diaminomethane nh2ch2nh2  
561 CH3PHCH3 dimethylphosphine ch3phch3  
562 NH2CH2NH3+ diaminoethane, protonated pdam  
563 (CH3)2NH2+ dimethylammonium cation dmam  
564 CH3CH2NH3+ ethylamine, protonated pea  
565 Na2O disodium monoxide na2o  
566 Na2S Sodium sulfide na2s  
567 LiO2 Lithium dioxide lio2  
568 NaO2 Sodium superoxide nao2  
569 CCO Dicarbon monoxide cco  
570 CNO- fulminate cno-  
571 BO2+ Boron dioxide cation bo2+  
572 N2O- Nitrous oxide anion n2o-  
573 PPO Phosphorus oxide phosphide ppo  
574 OCS+ Carbonyl sulfide cation cos+  
575 CS2- Carbon disulfide anion cs2-  
576 CS2+ Carbon disulfide cation cs2+  
577 TiO2 Titanium dioxide tio2  
578 GeO2 Germanium dioxide geo2  
579 OCSe Carbonyl selenide ocse  
580 SCSe Carbon sulfide selenide scse  
581 GeS2 Germanium disulfide ges2  
582 CSe2 Carbon diselenide cse2  
583 SCTe Carbon sulfide Telluride scte  
584 PO2- Phosphorus dioxide anion po2-  
585 PO2+ Phosphorus dioxide cation po2+  
586 AsO2 Aresenic dioxide aso2  
587 SO2- Sulfur dioxide anion so2-  
588 SO2+ Sulfur dioxide cation so2+  
589 SeO2 Selenium dioxide seo2  
590 SeO2+ Selenium dioxide cation seo2+  
591 TeO2 Tellurium Dioxide teo2  
592 CS2H+ Carbon disulfide, protonated cs2h+  
593 HNCS Isothiocyanic acid hncs  
594 HSCN thiocyanic acid hscn  
595 HNNO nitrosoazane hnno  
596 HNNO+ Nitrous oxide, N-protonated hnno+  
597 NNOH+ Nitrous Oxide, O-protonated nnoh+  
598 HCOO formate neutral radical hcoo  
599 O3H+ protonated ozone o3h+  
600 SO2H+ protonated sulfur dioxide so2h+  
601 C2H2O Oxirene oxirene  
602 Be(OH)2 Beryllium hydroxide beo2h2  
603 Mg(OH)2 Magnesium dihydroxide h2mgo2  
604 NH2NO Nitrosamide nh2no  
605 H2COO Dioxymethyl radical h2coo  
606 H2COO+ dioxymethyl cation h2coo+  
607 H2O3 Hydrogen trioxide h2o3  
608 NaOCH3 Sodium methoxide naoch3  
609 CH2BOH hydroxy(methylene)borane ch2boh  
610 BH3CO Borane carbonyl bh3co  
611 CH3BO Borane, methyloxo- ch3bo  
612 CH2CHO Vinyloxy radical ch2cho  
613 CH2COH+ ketene, protonated ch2coh+  
614 CH3CO- Acetyl anion ch3co-  
615 CH3CO+ acetyl cation ch3co+  
616 CH2NOH formaldoxime ch2noh  
617 CH3NO nitrosomethane ch3no  
618 CNOH3 1,2-oxaziridine cnoh3  
619 HOCHNH hydroxymethylimine hochnh  
620 CHSNH2 thioformamide chsnh2  
621 NHCHSH Methanimidothioic acid nhchsh  
622 CH2OOH CH2OOH radical ch2ooh  
623 CH3OO- methylperoxy anion ch3oo-  
624 CH3OO+ methylperoxy cation ch3oo+  
625 C2H4O+ ethylene oxide cation c2h4o+  
626 CH3CHO+ acetaldehyde cation ch3cho+  
627 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
628 CH2CHSH Ethenethiol ch2chsh  
629 H2CONH2+ protonated formamide h2conh2+  
630 NH2CHOH+ Formamide, O-protonated nh2choh+  
631 NH3CHO+ Formamide, N-Protonated nh3cho+  
632 CH2(OH)2 methanediol ch2o2h2  
633 HSCH2SH Methanedithiol ch4s2  
634 H2OH2CO water formaldehyde dimer h2oh2co  
635 C2H4OH+ ethylene oxide, protonated c2h4oh+  
636 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
637 CH3CH2O Ethoxy radical ethoxy  
638 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
639 CH3CHOH+ acetaldehyde, protonated ch3choh+  
640 CH3OCH2 methoxymethyl radical ch3och2  
641 NH2CH2OH aminomethanol nh2ch2oh  
642 CH3SCH3+ dimethyl sulfide cation mesme+  
643 CH3SeCH3 dimethylselenide dmse  
644 CH3OHH2O methanol water dimer ch3ohh2o  
645 H2OCH3OH water methanol dimer h2och3oh  
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 cation hfco+  
695 COHCl Formyl chloride cohcl  
696 COHBr Formyl bromide cohbr  
697 CHCl2 dichloromethyl radical chcl2  
698 CHF2 difluoromethyl radical chf2  
699 CHF2+ difluoromethyl cation chf2+  
700 CHFCl Chlorofluoromethyl radical chfcl  
701 CHFCl+ Chlorofluoromethyl cation chfcl+  
702 CHCl2+ dichloromethyl cation chcl2+  
703 CHBr2 dibromomethyl radical chbr2  
704 HOClO Chlorous acid hoclo  
705 NHF2 difluoramine nhf2  
706 NHCl2 dichloroamine nhcl2  
707 SiH2F2 difluorosilane sih2f2  
708 CH2BrF Methane, bromofluoro- ch2fbr  
709 CH2BrCl Methane, bromochloro- ch2clbr  
710 CH2FI fluoroiodomethane ch2fi  
711 CH2Br2 dibromomethane ch2br2  
712 CH2ClI chloroiodomethane ch2cli  
713 CH2BrI bromoiodomethane ch2bri  
714 CH2I2 Diiodomethane ch2i2  
715 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
716 CH2CHF+ fluoroethene cation ch2chf+  
717 C2H3Br vinyl bromide c2h3br  
718 C2H3I Vinyl iodide c2h3i  
719 CH2FOH fluoromethanol ch2foh  
720 CH3OCl methyl hypochlorite ch3ocl  
721 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
722 CHClCH3 1-chloroethyl radical chclch3  
723 CH3CH2Cl Ethyl chloride c2h5cl  
724 CH3SiFH2 fluoromethylsilane ch3sifh2  
725 C2H5Br Ethyl bromide etbr  
726 C2H5I Ethyl iodide c2h5i  
727 KrF2 Krypton difluoride krf2  
728 XeF2 Xenon difluoride xef2  
729 B4H10 Tetraborane(10) b4h10  
730 C4H2+ diacetlyene cation c4h2+  
731 C4H4 cyclobutadiene cbd  
732 C4H4 Tetrahedrane c4h4  
733 CHCCH2CH3 1-Butyne c107006  
734 CH3CHCHCH2 methylallyl radical c4h7  
735 C4H8 methylcyclopropane mcp  
736 B(CH3)3 trimethylborane bme3  
737 Al(CH3)3 trimethyl aluminum tma  
738 Li3N trilithium nitride li3n  
739 As4 Arsenic tetramer as4  
740 H2CNCN cyanamide, methylene ch2ncn  
741 HNCCNH Ethenediimine hnccnh  
742 C3H3N+ acrylonitrile cation ch2chcn+  
743 CH3N3 methyl azide ch3n3  
744 NH2CCNH2 Diaminoacetylene daa  
745 NH2CH2CN Aminoacetonitrile aan  
746 CH3NHN2+ methyl azide, protonated ch3nhn2+  
747 C2H5CN ethyl cyanide c2h5cn  
748 CH5N3 Guanidine guanidine  
749 C4H6 Bicyclo[1.1.0]butane c157335  
750 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
751 H2NCHCHNH2 diaminoethylene dae  
752 CH6N3+ guanidinium ch6n3+  
753 CH7N3 triaminomethane tam  
754 C3H7N Azetidine azet  
755 NH2CH2CH2CH3 1-Propanamine pram1  
756 P(CH3)3 trimethylphosphine tmp  
757 N(SiH3)3 trisilylamine tsa  
758 As(CH3)3 trimethyl arsine tmas  
759 (CH3)3NH+ protonated trimethyl amine ptma  
760 C3H7NH3+ n-propylamine, protonated c3h7nh2  
761 Li2O2 dilithium dioxide li2o2  
762 Na2O2 disodium dioxide na2o2  
763 K2O2 dipotassium dioxide k2o2  
764 C3O Tricarbon monoxide c3o  
765 CO3 Carbon trioxide co3  
766 NO3- nitrate anion no3-  
767 SO3- Sulfur trioxide anion so3-  
768 SO3-- Sulfate dianion so3--  
769 SO3+ Sulfur trioxide cation so3+  
770 SeO3 selenium trioxide seo3  
771 TeO3 Tellurium trioxide teo3  
772 HCO3- bicarbonate anion hco3-  
773 HSO3 Hydroxysulfonyl radical hso3  
774 NH2NO2 nitramide nh2no2  
775 C2H2CO cyclopropenone c2h2co  
776 C3H2O Propadienal c3h2o  
777 HCCCHO 2-propynal hcccho  
778 C2H2O2+ Ethanedial cation c2h2o2+  
779 H2CO3 Carbonic acid h2co3  
780 H2CS3 thiocarbonic acid h2cs3  
781 H2NO3+ Nitric Acid, Protonated h2no3+  
782 H2SO3 Sulfurous acid h2so3  
783 C2H3NO Nitrosoethylene c2h3no  
784 CH3NCO methylisocyante ch3nco  
785 HOCH2CN cyanomethanol hoch2cn  
786 CH3NO2 Methane, nitro- ch3no2  
787 NH2COOH Carbamic acid nh2cooh  
788 H3CO3+ carbonic acid, protonated h3co3+  
789 C3H4O 2-Propyn-1-ol c107197  
790 C3H4O Methylketene c6004440  
791 NH2CONH2+ Urea cation urea+  
792 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
793 NH3COOH+ protonated Carbamic acid nh3cooh+  
794 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
795 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
796 HCOOHH2O Formic acid water dimer hcoohh2o  
797 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
798 CH3COCH2 Acetonyl radical ch3coch2  
799 CH2C(OH)NH2 1-amino vinyl alchohol ava  
800 CH3C(OH)=NH Ethaninidic acid eia  
801 HCONHCH3 N-methylformamide nmfa  
802 CH5N2O+ urea, N-protonated ch4n2o+  
803 H2NCOHNH2+ urea, protonated ureah+  
804 C2H5OO ethylperoxy radical c2h5oo  
805 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
806 C3H5OH Cyclopropanol cproh  
807 C3H6O 2-Propen-1-ol c107186  
808 C3H6O Acetone enol enol  
809 C3H6O Oxetane oxetane  
810 CH3COCH3- acetone anion ch3coch3-  
811 C3H6S Thiirane, methyl- methiirane  
812 CH3CSCH3 Thioacetone ch3csch3  
813 CH3SOCH3 Dimethyl sulfoxide dmso  
814 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
815 CH3COHCH3+ acetone, protonated acetoneh+  
816 HOCH2CH2NH2 monoethanolamine mea  
817 C3H7SH 1-Propanethiol prsh  
818 CH3CHSHCH3 2-Propanethiol isoprsh  
819 CH3SCH2CH3 Ethane, (methylthio)- etsme  
820 H2OCH3OCH3 water dimethylether dimer h2och3och3  
821 Li2F2 Lithium fluoride dimer li2f2  
822 Na2F2 Sodium Fluoride Dimer na2f2  
823 Na2Cl2 Disodium dichloride na2cl2  
824 C2Cl2+ dichloroacetylene cation c2cl2+  
825 FNO2 Nitryl fluoride fno2  
826 FONO Nitrosyl hypofluorite fono  
827 ClONO chlorine nitrite clono  
828 BrONO Bromine nitrite brono  
829 CF2O+ Carbonic difluoride cation f2co+  
830 COFCl Carbonic chloride fluoride cofcl  
831 COBr2 Carbonic dibromide cobr2  
832 BClF2 Chlorodifluoroborane bclf2  
833 ScF3 Scandium trifluoride ScF3  
834 BCl3+ Boron Trichloride cation bcl3+  
835 GaF3 Gallium trifluoride gaf3  
836 GaCl3 Gallium trichloride gacl3  
837 BBr3 Boron tribromide bbr3  
838 AlBr3 Aluminum Bromide albr3  
839 ClO3 Chlorine trioxide clo3  
840 BrO3- Bromate anion bro3-  
841 CF2Cl difluorochloromethyl radical cf2cl  
842 SiF3+ Silicon trifluoride cation sif3+  
843 CFCl2 dichlorofluoromethyl radical cfcl2  
844 CCl3- Trichloromethyl anion ccl3-  
845 CCl3+ Trichloromethyl cation ccl3+  
846 CBr3 tribromomethyl radical cbr3  
847 FOOF Perfluoroperoxide foof  
848 ClOOCl Dichlorine dioxide cloocl  
849 SeOCl2 selenium oxychloride seocl2  
850 AsF3 Arsenic trifluoride asf3  
851 SbF3 Antimony Trifluoride sbf3  
852 AsCl3 Arsenous trichloride ascl3  
853 SbCl3 Antimony Trichloride sbcl3  
854 NBr3 Nitrogen Tribromide nbr3  
855 PBr3 Phosphorus tribromide pbr3  
856 AsBr3 Arsenic tribromide asbr3  
857 NI3 Nitrogen triiodide ni3  
858 PI3 Phosphorus triiodide pi3  
859 BrF3 Bromine trifluoride brf3  
860 IF3 iodone trifluoride if3  
861 SiHF3 trifluorosilane sihf3  
862 CDCl3 trichloromethane-d cdcl3  
863 CHBrF2 Methane, bromodifluoro- chbrf2  
864 CHFClBr fluorochlorobromomethane chfclbr  
865 CHBrCl2 Methane, bromodichloro- chbrcl2  
866 CHF2I difluoroiodomethane chf2i  
867 CHBr2F dibromofluoromethane chbr2f  
868 CHFClI fluorochloroiodomethane chfcli  
869 CHCl2I dichloroiodomethane chcl2i  
870 CHClBr2 Methane, dibromochloro- chclbr2  
871 CHBr3 bromoform chbr3  
872 CHI3 Iodoform chi3  
873 NF3H+ protonated nitrogen trifluoride nf3h+  
874 AsF3H+ Arsenic trifluoride, protonated asf3h+  
875 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
876 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
877 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
878 C2H2Br2 1,1-dibromoethene c2h2br2  
879 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
880 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
881 CH2FCHO Fluoroacetaldehyde ch2fcho  
882 CH2ClCHO chloroacetaldehyde ch2clcho  
883 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
884 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
885 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
886 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
887 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
888 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
889 CH2CFCH3 2-fluoropropene 2fpro  
890 CH2CHCH2F Allyl Fluoride allylf  
891 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
892 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
893 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
894 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
895 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
896 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
897 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
898 CH2FCH2CH3 1-Fluoropropane prf1  
899 CH3CHFCH3 2-Fluoropropane prf2  
900 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
901 CH3CHClCH3 Propane, 2-chloro- prcl2  
902 CH3CH2CH2Br n-propyl bromide prbr  
903 CH3CHBrCH3 i-propyl bromide iprbr  
904 C3H9O+ trimethyl oxonium cation c3h9o+  
905 B5H9 pentaborane9 b5h9  
906 C5H4 pentatetraene ptrene  
907 C5H5 cyclopentadienyl radical c5h5  
908 C5H6 Propellane propellane  
909 C5H7 1,3-pentadienyl radical pdyl  
910 C5H7 cyclopentenyl radical cpyl  
911 C5H8 1-pentyne a1pentyne  
912 C5H8 Bicyclo[1.1.1]pentane bcp  
913 C5H8 Ethenylcyclopropane c693867  
914 CH3CCCH2CH3 2-Pentyne 2pentyne  
915 CH2N4 1H-Tetrazole 1htz  
916 C3H3N2 imidazolyl radical im  
917 C3H3N2- imidizolyl anion im-  
918 C2H3N3 1H-1,2,4-Triazole c288880  
919 C4H4N pyrrolide radical c4h4n  
920 C4H4N- pyrrolide anion c4h4n-  
921 C3H4N2 2H-Imidazole imid2h  
922 C3H4N2 4H-Imidazole imid4h  
923 C4H5N 2H-pyrrole pyrrole2  
924 C4H5N 3H-pyrrole pyrrole3  
925 CH2CHCH2CN Allylcyanide ch2chch2cn  
926 C4H6N+ pyrrole, alpha-protonated appyr  
927 C4H6N+ pyrrole, beta-protonated bppyr  
928 C4H6N+ pyrrole, protonated ppyr  
929 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
930 CH3CH2CH2CN Butanenitrile c109740  
931 NH(C2H5)2 diethylamine dea  
932 NC4H12+ tetramethyl ammonium cation nc4h12+  
933 B2O3 diboron trioxide b2o3  
934 MgCO3 Magnesium Carbonate mgco3  
935 BeCO3 Beryllium Carbonate beco3  
936 CaCO3 Calcium Carbonate caco3  
937 ONONO Nitrosyl nitrite onono  
938 HOONO2 peroxy nitric acid hoono2  
939 HSO4- bisulfate anion hso4-  
940 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
941 C3H2O2 Propiolic acid c3h2o2  
942 CHOCOOH oxo acetic acid oaa  
943 CHOOCHO diformyl ether choocho  
944 H2SeO4 Selenic acid h2seo4  
945 C3H3NO Oxazole oxazole  
946 C3H3NS Thiazole thiazole  
947 CH3C(O)OO acetyl peroxy radical ch3coo2  
948 H3PO4 Phosphoric Acid h3po4  
949 C4H4O+ Furan cation furan+  
950 CH3COCCH 3-butyn-2-one c1423605  
951 C4H4Se selenophene c4h4se  
952 C3H4O2 Methyl glyoxal megly  
953 HOCHCCHOH allenediol aldiol  
954 C2H4O3 1,2,3-trioxolane c2h4o3  
955 C2H4O3 trioxolane124 triox  
956 HOCH2COOH Hydroxyacetic acid hac  
957 CH5N3S Hydrazinecarbothioamide c79196  
958 CH3SO2NH2 methanesulfonamide ch3so2nh2  
959 C4H6S Thiophene, 2,3-dihydro- thiop23h  
960 C4H6S Thiophene, 2,5-dihydro- thiop25h  
961 CH2CHSCHCH2 Divinyl sulfide divis  
962 CH3CH2COOH Propanoic Acid propanoic  
963 HCOOC2H5 Ethyl formate faee  
964 CH3SSSCH3 dimethyl trisulfide c2h6s3  
965 C4H8O Furan, tetrahydro- thf  
966 C4H8S Thiophene, tetrahydro- tht  
967 C3H8S2 1,3-Propanedithiol c109808  
968 C4H10O 1-Butanol butanol1  
969 C4H10O Methyl propyl ether meopr  
970 C4H10O+ 1-Butanol cation butanol1+  
971 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
972 C2H5SC2H5 Diethyl sulfide etset  
973 C4H9SH 1-Butanethiol bush  
974 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
975 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
976 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
977 ClONO2 Chlorine nitrate clono2  
978 BrONO2 Bromine nitrate brono2  
979 TiCl4 Titanium tetrachloride ticl4  
980 SO2F2 Sulfuryl fluoride so2f2  
981 TiF4 Titanium tetrafluoride tif4  
982 CF3Br Bromotrifluoromethane cf3br  
983 GeF4 Germanium tetrafluoride gef4  
984 CCl4+ Carbon tetrachloride cation ccl4+  
985 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
986 CBrCl2F bromodichlorofluoromethane cbrcl2f  
987 CF3I trifluoroiodomethane cf3i  
988 CBrCl3 Methane, bromotrichloro- cbrcl3  
989 CBr2F2 Methane, dibromodifluoro- cbr2f2  
990 GeCl4 Germanium Tetrachloride gecl4  
991 CBr2ClF dibromochlorofluoromethane cbr2clf  
992 CBr2Cl2 dibromodichloromethane cbr2cl2  
993 CCl3I trichloroiodomethane ccl3i  
994 CFBr3 fluorotribromomethane cfbr3  
995 CFClBrI fluorochlorobromoiodomethane cfclbri  
996 CBr3Cl tribromochloromethane cbr3cl  
997 CF2I2 difluorodiiodomethane cf2i2  
998 CBr4 Carbon tetrabromide cbr4  
999 CCl2I2 dichlorodiiodomethane ccl2i2  
1000 SiBr4 Silicon tetrabromide sibr4  
1001 CBr3I tribromoiododmethane cbr3i  
1002 GeBr4 Germanium tetrabromide gebr4  
1003 CI4 tetraiodomethane ci4  
1004 SiI4 silicon tetraiodide sii4  
1005 ClOF3 Chlorine trifluoride oxide clof3  
1006 SeF4 Selenium tetrafluoride sef4  
1007 SCl4 Sulfur tetrachloride scl4  
1008 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1009 HSO3F Fluorosulfonic acid hso3f  
1010 CF3OH trifluoromethanol cf3oh  
1011 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1012 CHClCCHCl 1,3-dichloroallene chclcchcl  
1013 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1014 CHCl2CHO dichloroacetaldehyde chcl2cho  
1015 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1016 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1017 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1018 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1019 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1020 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1021 NH3BCl3 Amminetrichloroboron nh3bcl3  
1022 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1023 C3H5ClO Oxirane, (chloromethyl)- c106898  
1024 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1025 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1026 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1027 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1028 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1029 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1030 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1031 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1032 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1033 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1034 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1035 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1036 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1037 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1038 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1039 C4H9F 1-fluorobutane butaf1  
1040 CH3CHFCH2CH3 2-fluorobutane butaf2  
1041 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1042 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1043 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1044 XeF4 Xenon tetrafluoride xef4  
1045 C2H2N2O Furazan furazan  
1046 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1047 NH3BF3 Amminetrifluoroboron nh3bf3  
1048 C6H2 hexatriyne c6h2  
1049 C6H5- phenyl anion phenyl-  
1050 C6H6 Prismane prismane  
1051 C6H6 1,2,4,5-Hexatetraene ht1245  
1052 C6H6 3,4-Dimethylenecyclobutene cb34m  
1053 C6H6 Benzvalene bv  
1054 C6H6 Dewar Benzene dewar  
1055 C6H6 Hexa-1,5-diene-3-yne hdy153  
1056 C6H6 Trimethylenecycopropane tmcp  
1057 C6H6+ Benzene cation c6h6+  
1058 C6H7+ benzene, protonated c6h7+  
1059 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1060 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1061 C6H10 1,5-Hexadiene c592427  
1062 C6H10 3-Hexyne hexyne3  
1063 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1064 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1065 C6H12 (E)-2-Hexene e2hexene  
1066 C6H12 (E)-hex-3-ene e3hexene  
1067 C6H12 (Z)-hex-2-ene z2hexene  
1068 C6H12 (Z)-hex-3-ene z3hexene  
1069 C6H12 2,3-dimethylbut-1-ene c563780  
1070 C6H12 2,3-dimethyl-but-2-ene tmeet  
1071 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1072 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1073 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1074 C4H2N2 Fumaronitrile c4h2n2  
1075 C5H5N E-2,4-pentadienenitrile bdcn  
1076 C5H6N+ Pyridinium c5h6n  
1077 C6H10 Bicyclo[3.1.0]hexane c285585  
1078 Li2CO3 Lithium Carbonate li2co3  
1079 Na2CO3 Sodium Carbonate na2co3  
1080 MgSO4 Magnesium Sulfate mgso4  
1081 C3H2O3 vinylene carbonate vica  
1082 C2H2O4 Oxalic Acid oxalic  
1083 C4H4O2 2(5H)-Furanone furanone  
1084 C2H4N2S2 Ethanedithioamide c79403  
1085 C2H4CO3 Ethylene carbonate etco3  
1086 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1087 C3H4S3 1,3-Dithiolane-2-thione c822388  
1088 C2H4O4 Formic acid dimer fadimer  
1089 C4H5NS 4-Methylthiazole c693958  
1090 C2H5NO3 Nitric acid, ethyl ester c625581  
1091 C5H6O 2H-Pyran pyran2  
1092 C5H6O 2-methylfuran furan2m  
1093 C5H6O 3-Methylfuran furan3m  
1094 C5H6O Pentadienal pdal  
1095 C5H6S Thiophene, 2-methyl- c554143  
1096 C5H6S Thiophene, 3-methyl- c616444  
1097 C4H6O2 Crotonic Acid crot  
1098 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1099 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1100 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1101 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1102 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1103 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1104 C4H6OS Vinyl sulfoxide c1115157  
1105 CH6N4S Carbonothioic dihydrazide thiacarb  
1106 C3H6S3 1,3,5-Trithiane c3h6s3  
1107 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1108 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1109 C4H7NO Ethoxyacetonitrile etoaccn  
1110 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1111 C3H7ONO Propyl nitrite prono  
1112 C5H8O Cyclopentanone c120923  
1113 C5H8O Methyl cyclopropyl ketone c765435  
1114 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1115 C4H8O2 Ethyl acetate c141786  
1116 C4H8OS s-Ethyl thioacetate c625605  
1117 C3H8O2S (Methylsulfonyl)ethane c594434  
1118 C5H10O 2-Butanone, 3-methyl- c563804  
1119 C5H10O 2-methylbutyraldehyde 2meba  
1120 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1121 C5H10S 3-Ethylthio-1-propene c5296628  
1122 C5H10S Cyclopentanethiol c1679078  
1123 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1124 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1125 C4H10OS Diethyl sulfoxide c70291  
1126 C4H10S2 1,4-Butanedithiol budisl14  
1127 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1128 C5H12S 1-Butanethiol, 3-methyl- c541311  
1129 C5H12S 1-Pentanethiol c110667  
1130 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1131 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1132 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1133 C5H12S Butane, 1-(methylthio)- c628295  
1134 C5H12S Ethyl propyl sulfide c4110503  
1135 C5H12S Propane, 2-(ethylthio)- c5145993  
1136 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1137 C4F2 difluorobutadiyne c4f2  
1138 ClCOClCO Oxalyl chloride oxcl  
1139 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1140 C2F4+ Tetrafluoroethylene cation c2f4+  
1141 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1142 CF2CCl2 difluorodichloroethylene cf2ccl2  
1143 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1144 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1145 C2FCl3 fluorotrichloroethene c2fcl3  
1146 C2Br4 tetrabromoethene c2br4  
1147 AsF5 Arsenic pentafluoride asf5  
1148 SF5 Sulfur pentafluoride sf5  
1149 SF5+ pentafluoro sulfur cation sf5+  
1150 SbCl5 Antimony pentachloride sbcl5  
1151 BrF5 bromine pentafluoride brf5  
1152 IF5 pentafluoroiodine if5  
1153 CF3CHO trifluoroacetaldehyde cf3cho  
1154 CCl3CHO trichloroacetaldehyde ccl3cho  
1155 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1156 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1157 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1158 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1159 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1160 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1161 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1162 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1163 CF3COOH trifluoroacetic acid cf3cooh  
1164 C4H3ClO Furan, 2-chloro fur2cl  
1165 C4H3ClO Furan,3-chloro fur3cl  
1166 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1167 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1168 C4H8Cl2 1,4-Dichlorobutane c110565  
1169 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1170 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1171 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1172 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1173 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1174 C5H11Cl Pentane, 1-chloro- pencl1  
1175 C4H8O2 Butanoic acid bua  
1176 C7H7 cycloheptatrienyl radical c7h7  
1177 C7H7+ cycloheptatrienyl cation c7h7+  
1178 C7H8 cycloheptatriene cht  
1179 C7H8 Norbornadiene norbor  
1180 C7H8 Quadricyclane qucy  
1181 C7H14 cycloheptane c7h14  
1182 CH(CN)3 tricyanomethane mecn3  
1183 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1184 C6H7N 2-Methylpyridine mp  
1185 C6H5NH2 aniline aniline  
1186 C6H13N 2-Methylpiperidine pip2m  
1187 C6H13N cyclohexanamine cham  
1188 C6H15N triethylamine tea  
1189 C4H2O3 Maleic Anhydride malan  
1190 C6H5O phenoxy radical phenoxy  
1191 C5H5NO 2(1H)-Pyridinone c72762006  
1192 C5H5NO 2(3H)-Pyridinone c9000048  
1193 C5H5NO 2(5H)-Pyridinone c9000037  
1194 C5H5NO 2-Pyridinol c109104  
1195 C5H5NO 3(2H)-Pyridinone c9000004  
1196 C5H5NO 3(4H)-Pyridinone c9000026  
1197 C5H5NO 3(6H)-Pyridinone c9000015  
1198 C5H5NO 3-Pyridinol c109002  
1199 C5H5NO 4(1H)-Pryidinone c9000060  
1200 C5H5NO 4(3H)-Pryidinone c9000059  
1201 C5H5NO 4-Pyridinol c626642  
1202 C6H6O 2,4-Cyclohexadienone c24599573  
1203 C6H6O 2,5-Cyclohexadienone c5664335  
1204 C6H5SH Benzenethiol phsh  
1205 HO2CCHNH2CH2OH Serine serine  
1206 C5H8O2 Acetylacetone acac  
1207 C4H8O2S Sulfolane sulfolane  
1208 C7H10 Norbornene norbornene  
1209 CH(C2H3)3 trivinyl methane tvm  
1210 C6H12O hexanal c6h12o  
1211 C6H12O Oxepane oxepane  
1212 C3H7OC3H7 di-n-propyl ether propr  
1213 F2CCCF2 tetrafluoroallene pfa  
1214 CF3COO- trifluoro acetate anion cf3coo-  
1215 CF3COF trifluoroacetyl fluoride cf3cof  
1216 CF3COCl trifluoroacetyl chloride cf3cocl  
1217 PF6 Hexafluorophosphate neutral pf6  
1218 SeF6 Selenium hexafluoride sef6  
1219 CF3CHF2 pentafluoroethane cf3chf2  
1220 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1221 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1222 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1223 CCl3CHCl2 pentachloroethane ccl3chcl2  
1224 C6H5Cl chlorobenzene bzcl  
1225 C6H5Br bromobenzene bzbr  
1226 C8H6 Calicene calicene  
1227 C8H6 benzocyclobutadiene bcbd  
1228 C8H6 Pentalene pentalene  
1229 CH3C6H4CH3 meta-xylene mxylene  
1230 CH3C6H4CH3 paraxylene pxylene  
1231 C8H14 Bicyclo[2.2.2]octane bico222  
1232 C8H16 cyclooctane cyclooct  
1233 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1234 C4O4-- squarate dianion c4o4--  
1235 S4N4 Tetrasulfur tetranitride s4n4  
1236 C4H4N2O2 Uracil uracil  
1237 C5H9NO2 Proline proline  
1238 C6H12O2 Methyl pivalate c598981  
1239 C6H12O2 Hexanoic acid hexa  
1240 C4F4 tetrafluorcyclobutadiene c4f4  
1241 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1242 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1243 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1244 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1245 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1246 C2Cl6 hexachloroethane c2cl6  
1247 IF7 Iodine heptafluoride if7  
1248 C6H4F2 metadifluorobenzene mdfb  
1249 C6H4Cl2 1,2-dichlorobenzene dcb12  
1250 C6H4Cl2 1,3-dichlorobenzene dcb13  
1251 C6H4Cl2 1,4-dichlorobenzene dcb14  
1252 C6H5NO nitrosobenzene bzno  
1253 C9H8 Indene indene  
1254 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1255 C9H12 n-propyl benzene prbz  
1256 C9H20 Nonane nonane  
1257 C(CN)4 tetracyanomethane c5n4  
1258 C5H4N4 purine purine  
1259 C8H7N Indole indole  
1260 C3H3N3O3 cyanuric acid cyanuric  
1261 CH3COC6H5 acetophenone acph  
1262 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1263 C3F6 hexafluoropropene c3f6  
1264 C6H3F3 Benzene trifluoride 123 bzf3a  
1265 C8H18O 1-Octanol octanol  
1266 C10H8 Azulene azu  
1267 C10H10 bullvalene bullv  
1268 C6N4 Tetracyanoethylene tcne  
1269 C6N4- tetracyanoethylene anion tcne-  
1270 C10H22 Decane decane  
1271 C4F6 perfluorobutadiene c4f6  
1272 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1273 C3F8 perfluoropropane c3f8  
1274 Fe(CO)5 Iron pentacarbonyl ipc  
1275 Fe(C5H5)2 ferrocene fecp2  
1276 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1277 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1278 C12H8 Acenaphthylene acenaph  
1279 C12H8 biphenylene biph  
1280 C12H10 Heptalene heptalene  
1281 C6H12O6 Inositol inositol  
1282 C6F6 hexafluorobenzene c6f6  
1283 S2F10 disulphur decafluoride s2f10  
1284 C13H10 Fluorene fluorene  
1285 C14H10 Phenanthrene phenanthrene  
1286 C14H14 Bibenzyl bibenzyl  
1287 C12H10N2 azobenzene azobenzene  
1288 C6H5COC6H5 benzophenone benzophenone  
1289 C16H10 Pyrene pyrene  
1290 C18H12 Tetracene tetracene  
1291 C19H16 Triphenylmethane tpm  
1292 C24H12 Coronene coronene  
1293 C60 Buckminsterfullerene c60