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

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 H3+ hydrogen trimer cation 1A1'D3h
6 He Helium atom 1SKh
7 He2+ helium diatomic cation 2ΣuD∞h
8 Li Lithium atom 2SKh
9 Na+ Sodium atom cation 1SKh
10 LiH Lithium Hydride 1ΣC∞v
11 LiH- lithium hydride anion 2ΣC∞v
12 LiH+ lithium hydride cation 2ΣC∞v
13 NaH- sodium hydride anion 2ΣC∞v
14 NaH+ sodium hydride cation 2ΣC∞v
15 BeH beryllium monohydride 2ΣC∞v
16 BeH- berylium monohydride anion 1ΣC∞v
17 BeH+ beryllium monohydride cation 1ΣC∞v
18 MgH- magnesium monohydride anion 1ΣC∞v
19 MgH+ magnesium monohydride cation 1ΣC∞v
20 B Boron atom 2PKh
21 Al Aluminum atom 2PKh
22 BH- boron monohydride anion 2ΠC∞v
23 BH+ boron monohydride cation 2ΣC∞v
24 AlH aluminum monohydride 1ΣC∞v
25 AlH2 aluminum dihydride 2A1C2v
26 AlH3 aluminum trihydride 1A1'D3h
27 BH4- borohydride anion 1A1Td
28 AlH4- Aluminum tetrahydride anion 1A1Td
29 C Carbon atom 3P0Kh
30 Si Silicon atom 3PKh
31 CH Methylidyne 2Π1/2C∞v
32 CH- methylidyne anion 3ΣC∞v
33 CH+ Methylidyne cation 1ΣC∞v
34 SiH Silylidyne 2ΠC∞v
35 CH2 Methylene 1A1C2v
36 CH2- methylene anion 2B1C2v
37 CH2+ methylene cation 2A1C2v
38 SiH2 silicon dihydride 1A1C2v
39 SiH2 silicon dihydride 3B1C2v
40 CH3- methyl anion 1A1C3v
41 CH3+ methyl cation 1A1'D3h
42 SiH3 Silyl radical 2A1C3v
43 SiH3+ Silyl cation 1A1'D3h
44 CH4 Methane 1A1Td
45 SiH4 Silane 1A1Td
46 P Phosphorus atom 4SKh
47 NH Imidogen 3Σ-C∞v
48 NH Imidogen 1Σ+C∞v
49 NH- Imidogen anion 2ΠC∞v
50 NH+ imidogen cation 2ΠC∞v
51 PH phosphorus monohydride 3Σ-C∞v
52 PH phosphorus monohydride 1ΔC∞v
53 NH2- amino anion 1A1C2v
54 PH2 Phosphino radical 2B1C2v
55 NH3 Ammonia 1A1C3v
56 NH3+ ammonia cation 2A2"D3h
57 PH3 Phosphine 1A1C3v
58 NH4+ ammonium cation 1A1Td
59 PH4+ phosphonium cation   
60 O Oxygen atom 3SKh
61 S Sulfur atom 3PKh
62 OH Hydroxyl radical 2ΠC∞v
63 OH- hydroxide anion 1ΣC∞v
64 OH+ hydoxyl cation 3ΣC∞v
65 OH+ hydoxyl cation 1ΣC∞v
66 DS Mercapto-d 2ΠC∞v
67 HS Mercapto radical 2ΠC∞v
68 HS- mercapto anion 1ΣC∞v
69 HS+ sulfur monohydride cation 3ΣC∞v
70 H2O Water 1A1C2v
71 H2O- water anion 2A1C2v
72 H2O+ water cation 2B1C2v
73 D2S Hydrogen sulfide-d2 1A1C2v
74 H2S Hydrogen sulfide 1A1C2v
75 H2S+ Hydrogen sulfide cation 2B1C2v
76 H3O+ hydronium cation 1A1C3v
77 H3S+ Sulfonium cation 1A1C3v
78 F Fluorine atom 2PKh
79 Cl Chlorine atom 2PKh
80 HF Hydrogen fluoride 1ΣC∞v
81 HF- hydrogen fluoride anion 2ΣC∞v
82 HF+ hydrogen fluoride cation 2ΠC∞v
83 HCl Hydrogen chloride 1ΣC∞v
84 HCl- hydrogen chloride anion 2ΣC∞v
85 HCl+ hydrogen chloride cation 2ΠC∞v
86 H2F+ dihydrogen fluoride cation 1A1C2v
87 H2Cl+ dihydrogen monochloride cation 1A1C2v
88 Ne Neon atom 1SKh
89 NeH+ neon hydrogen cation 1ΣC∞v
90 Li2 Lithium diatomic 1ΣgD∞v
91 Li2- lithium diatomic anion 2ΣuD∞h
92 Li2+ lithium diatomic cation 2ΣgD∞h
93 NaLi lithium sodium 1ΣC∞v
94 NaLi- lithium sodium anion 2ΣC∞v
95 NaLi+ lithium sodium cation 2ΣC∞v
96 Na2- sodium diatomic anion 2ΣuD∞h
97 Na2+ sodium diatomic cation 2ΣgD∞h
98 Be2- Beryllium diatomic anion 2ΠuD∞h
99 Be2+ Beryllium diatomic cation 2ΣuD∞h
100 Mg2- magnesium diatomic anion 2ΠUD∞h
101 Mg2+ magnesium diatomic cation 2ΣuD∞h
102 B2 Boron diatomic 3ΣgD∞h
103 B2 Boron diatomic 1ΣgD∞h
104 B2 Boron diatomic 5ΣuD∞h
105 B2- Boron diatomic anion 4ΣgD∞h
106 BAl Boron Aluminum 3ΣC∞v
107 B2H6 Diborane 1AgD2h
108 BC- boron monocarbide anion 1Σg+C∞v
109 BC+ boron monocarbide cation 3ΣC∞v
110 BC+ boron monocarbide cation 1ΣC∞v
111 AlC Aluminum carbide 4ΣC∞v
112 C2 Carbon diatomic 1Σg+D∞h
113 C2 Carbon diatomic 3ΠuD∞h
114 C2- carbon diatomic anion 2ΣgD∞h
115 C2+ carbon diatomic cation 2ΠD∞h
116 SiC silicon monocarbide 3ΣC∞v
117 SiC silicon monocarbide 1ΣC∞v
118 Si2 Silicon diatomic 3ΣgD∞h
119 C2H Ethynyl radical 2ΣC∞v
120 C2H2 Acetylene 1ΣgD∞h
121 C2H2+ acetylene cation 2ΠuD∞h
122 CCH2 vinylidene 1A1C2v
123 C2H6 Ethane 1A1gD3d
124 CH3SiH3 methyl silane 1A1C3
125 Si2H6 disilane 1EuD3d
126 BeN- Beryllium mononitride anion 1ΣC∞v
127 BN- boron nitride anion 2ΣC∞v
128 BN boron nitride 3ΠC∞v
129 BN boron nitride 1ΣC∞v
130 BN+ boron nitride cation 2ΠC∞v
131 AlN Aluminum nitride 3ΠiC∞v
132 CN Cyano radical 2ΣC∞v
133 CN- cyanide anion 1ΣC∞v
134 CN+ Cyano cation 1ΣC∞v
135 CP Carbon monophosphide 2ΣC∞v
136 SiN Silicon nitride 2ΣC∞v
137 SiP Silicon monophosphide 2ΠC∞v
138 N2 Nitrogen diatomic 1ΣgD∞h
139 N2- nitrogen diatomic anion 2ΠgD∞h
140 N2+ diatomic nitrogen cation 2ΣgD∞h
141 PN Phosphorus mononitride 1ΣC∞v
142 P2 Phosphorus diatomic 1ΣgD∞h
143 HNC hydrogen isocyanide 1ΣC∞v
144 HCN Hydrogen cyanide 1ΣC∞v
145 HCN+ hydrogen cyanide cation 2ΠC∞v
146 HCP Phosphaethyne 1ΣC∞v
147 NNH Dinitrogen monohydride 2A'Cs
148 HPO Hydrogen phosphorus oxide 1A'Cs
149 N2H2 (E)-diazene 1AgC2h
150 CH2PH Phosphaethene 1A'Cs
151 CH2NH2+ methyleneamine cation 1A1C2v
152 P2H4 Diphosphine 1AC2
153 CH3NH2 methyl amine 1A'Cs
154 BH3PH3 borane phosphine   
155 LiO- lithium oxide anion 1ΣC∞v
156 LiO+ lithium oxide cation 3ΣC∞v
157 LiO+ lithium oxide cation 1ΣC∞v
158 LiS Lithium monosulfide 2ΠC∞v
159 NaO- sodium oxide anion 1ΣC∞v
160 NaO+ sodium oxide cation 3ΣC∞v
161 BeO- Beryllium monoxide anion 2ΣC∞v
162 BeO+ Beryllium monoxide cation 2ΠC∞v
163 BeS beryllium sulfide 1ΣC∞v
164 MgO magnesium oxide 1Σ+C∞v
165 MgO- magnesium oxide anion 2ΣC∞v
166 MgO+ magnesium oxide cation 2ΠC∞v
167 MgS magnesium sulfide 1ΣC∞v
168 CaS Calcium sulfide 1ΣC∞v
169 BO- boron monoxide anion 1ΣC∞v
170 AlO Aluminum monoxide 2ΣC∞v
171 BS boron sulfide 2ΣC∞v
172 AlS Aluminum sulfide 2ΣC∞v
173 BO+ boron monoxide cation 1ΣC∞v
174 CO Carbon monoxide 1ΣC∞v
175 CO- carbon monoxide anion 2ΠC∞v
176 CO+ carbon monoxide cation 2ΣC∞v
177 CS carbon monosulfide 1ΣC∞v
178 SiO Silicon monoxide 1ΣC∞v
179 SiS silicon monosulfide 1ΣC∞v
180 GeO Germanium monoxide 1ΣC∞v
181 SiSe Silicon Monoselenide   
182 NO- nitric oxide anion 3ΣC∞v
183 NO- nitric oxide anion 1ΔC∞v
184 NO+ nitric oxide cation 1ΣC∞v
185 NS Mononitrogen monosulfide 2ΠC∞v
186 PO Phosphorus monoxide 2ΠC∞v
187 PS phosphorus sulfide 2ΣC∞v
188 O2 Oxygen diatomic 3ΣgD∞h
189 O2- oxygen diatomic anion 2ΠD∞h
190 O2+ diatomic oxygen cation 2ΠgD∞h
191 SO Sulfur monoxide 3ΣC∞v
192 SO Sulfur monoxide 1ΣC∞v
193 SO+ sulfur monoxide cation 2ΠC∞v
194 S2 Sulfur diatomic 3ΣgD∞h
195 S2+ sulfur diatomic cation 2ΠD∞h
196 Se2 Selenium diatomic 3ΣgD∞h
197 HBS hydrogen boron sulfide 1ΣC∞v
198 HCS Thioformyl radical 2A'Cs
199 HNO Nitrosyl hydride 1A'Cs
200 HSO+ Sulfur Monoxide, S-protonated   
201 SOH Sulfur Hydroxide   
202 SOH+ Sulfur Monoxide, protonated   
203 H2CO+ formaldehyde cation 2B2C2v
204 H2CS Thioformaldehyde 1A1C2v
205 H2CSe Selenoformaldehyde   
206 H2S2 Disulfane 1AC2
207 H2S2+ hydrogen disulfide cation 2BgC2h
208 CH2OH+ hydroxymethyl cation 1A'Cs
209 CH3S thiomethoxy 2A'C3v
210 H2CSH+ Thioformaldehyde, protonated 1A'Cs
211 NH2OH hydroxylamine 1A'Cs
212 H2POH Phosphinous acid 1A1'CS trans
213 H2POH Phosphinous acid 1A1'CS cis
214 H3PO Phosphine oxide 1A1C3v
215 CH3SH Methanethiol 1A'Cs
216 CH3SH2+ protonated methylsulfide 1A'Cs
217 LiCl lithium chloride 1ΣC∞v
218 LiCl- lithium chloride anion 2ΣC∞v
219 LiCl+ lithium chloride cation 2ΠC∞v
220 NaF- sodium fluoride anion 2ΣC∞v
221 NaF+ sodium fluoride cation 2ΣC∞v
222 NaCl Sodium Chloride 1ΣC∞v
223 NaCl- sodium chloride anion 2ΣC∞v
224 NaCl+ sodium chloride cation 2ΠC∞v
225 LiF- lithium fluoride anion 2ΣC∞v
226 LiF+ lithium fluoride cation 2ΠC∞v
227 BeF- Beryllium monofluoride anion 1ΣC∞v
228 BeF+ Beryllium monofluoride cation 1ΣC∞v
229 BeCl beryllium monochloride 2ΣC∞v
230 MgF- magnesium fluoride anion 1ΣC∞v
231 MgF+ magnesium fluoride cation 1ΣC∞v
232 MgCl magnesium monochloride 2ΣC∞v
233 MgCl- magnesium monochloride anion 1ΣC∞v
234 MgCl+ magnesium monochloride cation 1ΣC∞v
235 BeCl- beryllium monochloride anion 1ΣC∞v
236 BeCl+ beryllium monochloride cation 1ΣC∞v
237 BF Boron monofluoride 1ΣC∞v
238 BF- Boron monofluoride anion 2ΠC∞v
239 BF+ Boron monofluoride cation 2ΣC∞v
240 AlF Aluminum monofluoride 1Σ+C∞v
241 BCl boron monochloride 1ΣC∞v
242 BCl- boron monochloride anion 2ΠC∞v
243 BCl+ boron monochloride cation 2ΣC∞v
244 AlCl Aluminum monochloride 1ΣC∞v
245 AlCl- aluminum monochloride anion 2ΠC∞v
246 AlCl+ aluminum monochloride cation 2ΣC∞v
247 CF- carbon monofluoride anion 3ΣC∞v
248 CF- carbon monofluoride anion 1ΣC∞v
249 CF+ carbon monofluoride cation 1ΣC∞v
250 CCl carbon monochloride 2ΠC∞v
251 CCl- carbon monochloride anion 3ΣC∞v
252 CCl+ carbon monochloride cation 1ΣC∞v
253 SiF silicon monofluoride 2ΠC∞v
254 SiF+ silicon monofluoride cation 1ΣC∞v
255 SiCl Clorosilylidyne 2ΠC∞v
256 SiCl- silicon monochloride anion 3ΣC∞v
257 SiCl+ silicon monochloride cation 1ΣC∞v
258 NF nitrogen fluoride 1ΣC∞v
259 NF- nitrogen monofluorine anion 2ΠC∞v
260 NF+ nitrogen monofluoirde cation 2ΠC∞v
261 NCl nitrogen monochloride 3ΣC∞v
262 NCl- nitrogen monochloride anion 2ΠC∞v
263 NCl+ nitrogen monochloride cation 2ΠC∞v
264 PF phosphorus monofluoride 3ΣC∞v
265 PCl phosphorus chloride 3ΣC∞v
266 PCl- phosphorus monochloride anion 2ΠC∞v
267 PCl+ phosphorus monochloride cation 2ΠC∞v
268 FO- flourine oxide anion 1ΣC∞v
269 FO+ fluorine monoxide cation 3ΣC∞v
270 ClO Monochlorine monoxide 2ΠC∞v
271 ClO+ chlorine monoxide cation 3ΣC∞v
272 SF Monosulfur monofluoride 2ΠC∞v
273 SF+ sulfur monofluoride cation 3ΣC∞v
274 SCl sulfur monochloride 2ΠC∞v
275 SCl- sulfur monochloride anion 1ΣC∞v
276 SCl+ sulfur monochloride cation 3ΣgC∞v
277 SBr Sulfur monobromide radical   
278 F2 Fluorine diatomic 1ΣgD∞h
279 F2- flourine diatomic anion 2ΣuD∞h
280 F2+ flourine diatomic cation 2ΠgD∞h
281 ClF Chlorine monofluoride 1Σ+C∞v
282 ClF- clorine monofluoride anion 2ΣC∞v
283 ClF+ clorine monofluoride cation 2ΠC∞v
284 Cl2 Chlorine diatomic 1ΣgD∞h
285 Cl2- chlorine diatomic anion 2ΣuD∞h
286 Cl2+ chlorine diatomic cation 2ΠgD∞h
287 HOCl hypochlorous acid 1A'Cs
288 CH2Cl chloromethyl radical 2A'Cs
289 CH3Cl Methyl chloride 1A1C3v
290 SiH3F monofluorosilane 1A1C3v
291 SiH3Cl chlorosilane 1A1C1
292 C3 carbon trimer 1ΣgD∞h
293 CH2CHCH3 Propene 1A'Cs
294 C3H7 n-Propyl radical 2A"C1
295 SiH2(CH3)2 dimethylsilane 1A1C2v
296 Si3H8 trisilane   
297 HN3 hydrogen azide 1A'Cs
298 CH2NN diazomethane 1A1C2v
299 CH3NC methyl isocyanide 1A1C3v
300 NHCHNH2 aminomethanimine 1AC1
301 CH3CH2NH2 Ethylamine 1A'Cs
302 Li2O dilithium oxide 1ΣgD∞h
303 Li2S dilithium sulfide 1ΣGD∞h
304 Li2S dilithium sulfide 1A1C2v
305 SCN thiocyanato radical 2ΠC∞v
306 SCN- thiocyanide anion 1ΣC∞v
307 NNS Nitrogen sulfide 1ΣC∞v
308 CO2 Carbon dioxide 1ΣgD∞h
309 OCS Carbonyl sulfide 1ΣC∞v
310 SiO2 silicon dioxide 1ΣgD∞h
311 CS2 Carbon disulfide 1ΣgD∞h
312 SiS2 Silicon disulfide 1ΣGD∞h
313 NSO sulfinyl amidogen   
314 PO2 Phosphorus dioxide 2A1C2v
315 SNO Nitrogen oxide sulfide   
316 SO2 Sulfur dioxide 1A1C2v
317 SSO Disulfur monoxide 1A'Cs
318 S3 Sulfur trimer 1A1C2v
319 S3 Sulfur trimer   
320 S3- Sulfur trimer anion 2B1C2v
321 S3+ Sulfur trimer cation 2B2C2v
322 HCCO ketenyl radical 2A"Cs
323 HCNO fulminic acid 1ΣC∞v
324 HNCO Isocyanic acid 1A'Cs
325 HOCN cyanic acid 1A'Cs
326 HCO2- formate anion 1A1C2v
327 HOCO Hydrocarboxyl radical 1A'cis
328 HOCO Hydrocarboxyl radical 1A'trans
329 HCCOH ethynol 1A'Cs
330 CH2CS Thioketene   
331 CH2O2 Dioxirane 1A1C2v
332 HSSSH trisulfane 1AC2
333 HSSSH trisulfane 1A'Cs
334 CH3CO Acetyl radical 2A'Cs
335 CH3OO methylperoxy radical 2A"Cs
336 CH2CHOH ethenol 1A'Cs
337 C2H4S Thiirane 1A1C2v
338 CH3CHS Thioacetaldehyde 1A'C1
339 CH3OOH Methyl peroxide 1AC1
340 CH3SSH Hydrogen methyl disulfide   
341 CH3CH2SH ethanethiol 1A'Cs
342 CH3SCH3 Dimethyl sulfide 1A1C2v
343 FCN Cyanogen fluoride 1ΣC∞v
344 ClCN chlorocyanogen 1ΣC∞v
345 MgCl2 Magnesium dichloride 1ΣgC2v
346 ClNO Nitrosyl chloride 1A'Cs
347 FNS Thionitrosyl fluoride 1A'Cs
348 FSN Thiazyl fluoride 1A'Cs
349 OPCl Phosphorus oxychloride   
350 CCl2 dichloromethylene 1A1C2v
351 SiCl2 Dichlorosilylene 1A1C2v
352 GeCl2 Germanium dichloride 1A1C2v
353 ClOO chloroperoxy radical 2A"Cs
354 OClO Chlorine dioxide 2B1D∞h
355 ClSO Sulfur chloride oxide 2A"Cs
356 ClS2 Sulfur chloride 2A"Cs
357 FClO chlorosyl fluoride 1A'Cs
358 ClOF Chlorine hypofluorite 1A'Cs
359 SF2 sulfur difluoride 1A1C2v
360 Cl2O Dichlorine monoxide 1A1C2v
361 SCl2 Sulfur dichloride 1A1C2v
362 SeCl2 Selenium Dichloride   
363 SBr2 Sulfur dibromide   
364 SeBr2 Selenium dibromide   
365 HCCF Fluoroacetylene 1ΣC∞v
366 HFCO formyl fluoride 1A'Cs
367 BHCl2 Borane, dichloro- 1A1C2v
368 CH2F2 Methane, difluoro- 1A1C2v
369 CH2FCl fluorochloromethane 1A'Cs
370 CH2Cl2 Methylene chloride 1A1C2v
371 SiH2Cl2 dichlorosilane 1A1C2v
372 C2H3Cl Ethene, chloro- 1A'Cs
373 C2H5F fluoroethane 1A'Cs
374 C4 Carbon tetramer 3ΣgD∞h
375 C4H2 Diacetylene 1ΣgD∞h
376 C2H3CCH 1-Buten-3-yne 1A'C1
377 H2CCCCH2 Butatriene 1AgD2h
378 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
379 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
380 SiH(CH3)3 trimethylsilane 1A1C3v
381 P4 Phosphorus tetramer 1A1Td
382 HCCCN Cyanoacetylene 1ΣC∞v
383 C2H8N2 Ethylenediamine 1AgC2h
384 S2N2 Disulfur dinitride 1AGD2h
385 CO3-- carbonate 1A1'D3h
386 CS3-- Carbonotrithioate   
387 NO3 Nitrogen trioxide 2A1'all bonds equal
388 SO3 Sulfur trioxide 1A1'D3h
389 S4 Sulfur tetramer   
390 S4 Sulfur tetramer   
391 S4 Sulfur tetramer   
392 CH3COO- acetate anion 1A'eclipsed
393 CH3ONO Methyl nitrite 1A'C1
394 H3AlO3 Aluminum hydroxide   
395 C3H4O allenol 1A'Cs
396 CH2CHCHO Acrolein 1A'Cs
397 NH2CSNH2 Thiourea 1AC2
398 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
399 CH3CSNH2 Ethanethioamide   
400 CH3CH2CHO Propanal 1A'Cs
401 C3H6S Thietane 1A'Cs
402 CH3SSCH3 Disulfide, dimethyl 1AC2
403 C3H7OH 1-Propanol 1A'Cs
404 C2F2 difluoroacetylene 1ΣgD∞h
405 C2Cl2 dichloroacetylene 1ΣgC2h
406 ClNO2 Nitryl chloride 1A1C2v
407 CCl2O Phosgene 1A1C2v
408 Cl2CS Thiophosgene 1A1C2v
409 AlF3 Aluminum trifluoride 1A1'D3h
410 AlF2Cl Aluminum chloride difluoride 1A1C2v
411 AlFCl2 Aluminum dichloride fluoride 1A1C2v
412 BCl3 Borane, trichloro- 1A1'D3h
413 AlCl3 Aluminum trichloride 1A1'D3h
414 ClO3- chlorate anion 1A1C3v
415 SiF3 Silicon trifluoride radical 2A1C3v
416 SiCl3 trichlorosilyl radical 2A1C3v
417 SiCl3+ trichlorosilyl cation 1A1'D3h
418 ClO2F Chloryl fluoride 1A'Cs
419 F2SO Thionyl Fluoride 1A'Cs
420 FSSF Difluorodisulfane 1AC2
421 S2F2 Thio-thionyl fluoride 1A'Cs
422 SOCl2 thionyl chloride 1A'Cs
423 SSCl2 Thiothionyl chloride   
424 PF3 Phosphorus trifluoride 1A1C3v
425 NCl3 nitrogen trichloride 1A1C3v
426 PCl3 Phosphorus trichloride 1A1C3v
427 ClSSCl Disulfur dichloride 1AC2
428 SF3 Sulfur trifluoride 2A'Cs
429 ClF3 Chlorine trifluoride 1A1'D3h
430 ClF3 Chlorine trifluoride 1A1C2v
431 HClO3 Chloric Acid 1AC1
432 CHF2Cl difluorochloromethane 1A'Cs
433 CHFCl2 fluorodichloromethane 1A'Cs
434 CHCl3 Chloroform 1A1C3v
435 SiHCl3 Trichlorosilane 1A1C3v
436 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
437 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
438 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
439 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
440 CH3COCl Acetyl Chloride 1A'Cs
441 C5H5- cylopentadienyl anion 1A1'D5h
442 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
443 C5H8 1,4-Pentadiene 1AC2
444 C5H8 Cyclobutane, methylene- 1A'Cs
445 C5H8 Cyclopentene 1A'Cs
446 CH2CHCH2CH2CH3 1-pentene 1AC1
447 Si(CH3)4 tetramethylsilane 1A1Td
448 N2O3 Dinitrogen trioxide 1A'Cs
449 C3H2N2 Malononitrile 1A1Cs
450 C4H9N Pyrrolidine 1A'Cs
451 PO4--- phosphate 1A1Td
452 SO4-- sulfate 1A1Td
453 H2SO4 Sulfuric acid 1AC1
454 C4H4S Thiophene 1A1C2v
455 C3H4O2 propanedial 1AC1
456 C3H4O2 propenalol 1A'Cs
457 CH3OCH2CN Methoxyacetonitrile 1AC1
458 H2NCH2COOH Glycine 1A'Cs
459 C4H6O cis-2-butenal 1ACs
460 C4H6O Furan, 2,5-dihydro- 1A1Cs
461 C3H6O2 1,3-Dioxolane 1AC1
462 CH3COOCH3 methyl acetate 1A'Cs
463 C2H6O2S Dimethyl sulfone 1A1C2v
464 C4H8O Cyclobutanol 1A'C1
465 CH3COCH2CH3 2-Butanone 1AC1
466 C3H8O2 1,3-Propanediol 1A1C1
467 C4H10O 1-Propanol, 2-methyl- 1AC1
468 ClO4- perchlorate anion 1A1Td
469 BF4- tetrafluoroboron anion 1A1Td
470 ClFO3 Perchloryl fluoride 1A1Cs
471 SO2Cl2 Sulfuryl chloride 1A1C2v
472 F3PO Phosphoryl fluoride 1A1C3v
473 Cl3PO Phosphoryl chloride 1A1C3v
474 CF3Cl Methane, chlorotrifluoro- 1A1C3v
475 SiF4 Silicon tetrafluoride 1A1Td
476 CF2Cl2 difluorodichloromethane 1A1C2v
477 CFCl3 Trichloromonofluoromethane 1A1C3v
478 CCl4 Carbon tetrachloride 1A1Td
479 SiCl4 Silane, tetrachloro- 1A1Td
480 SF4 Sulfur tetrafluoride 1A1C2v
481 C2HF3 Trifluoroethylene 1A'Cs
482 CHClCCl2 Trichloroethylene 1A'Cs
483 HClO4 perchloric acid 1ACs
484 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
485 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
486 SiH3CCl3 (trichloromethyl)silane 1A1C3v
487 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
488 C6H10 cyclohexene 1AC2
489 C6H14 Butane, 2,3-dimethyl- 1AgC2h
490 C4H4N2 Pyrazine 1AgD2h
491 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
492 C6H6 Fulvene 1A1C2v
493 C2H3NO3 Oxamic acid 1A'H out
494 C4H7NO 2-Pyrrolidinone 1AC1
495 CH3CH(NH2)COOH Alanine 1AC1
496 CH3NHCH2COOH Sarcosine 1AC1
497 NH2CH2CH2COOH β–alanine 1AC1
498 C5H10O 3-Pentanone 1A1C2v
499 C5H12O 3-Pentanol 1AC1
500 B2Cl4 Diboron tetrachloride 1A1D2
501 C2Cl4 Tetrachloroethylene 1AgD2h
502 CF3OF Trifluoromethylhypofluorite 1A'Cs
503 SiF5- silicon pentafluoride anion   
504 PF5 Phosphorus pentafluoride 1A1'D3h
505 ClF5 chlorinepentafluoride 1A1C4v
506 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
507 C6H5CH2 benzyl radical 2B1Cs
508 C7H16 heptane 1A1C2v
509 C6H10O cyclohexanone 1A'Cs
510 PF6- Hexafluorophosphate ion 1A1GOh
511 SF6 Sulfur Hexafluoride 1A1GOh
512 SF5Cl sulfur chloropentafluoride 1A1C4v
513 C6H5F Fluorobenzene 1A1C2v
514 C6H5CCH phenylacetylene 1A1C2v
515 C6H5CHCH2 Styrene 1A'Cs
516 C8H8 cubane 1A1GOh
517 C6H5CH2CH3 Ethylbenzene 1A'Cs
518 S8 Octasulfur 1A1D4d
519 C6H5OCH3 Anisole 1A'Cs
520 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
521 C2F6 hexafluoroethane 1A1gD3d
522 C6H5COOH benzoic acid 1A'Cs
523 C12H10 biphenyl 1AD2

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H- Hydrogen atom anion h-  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 Li- Lithium atom anion li-  
12 Li+ Lithium atom cation li+  
13 Na Sodium atom na  
14 Na- Sodium atom anion na-  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 NaH sodium hydride nah  
22 KH Potassium hydride kh  
23 KH+ Potassium hydrogen cation kh+  
24 CuH Copper monohydride cuh  
25 Be Beryllium atom be  
26 Be- Beryllium atom anion be-  
27 Be+ Beryllium atom cation be+  
28 Mg Magnesium atom mg  
29 Mg- Magnesium atom anion mg-  
30 Mg+ Magnesium atom cation mg+  
31 Ca Calcium atom ca  
32 Ca- Calcium atom anion ca-  
33 Ca+ Calcium atom cation ca+  
34 Zn Zinc atom zn  
35 Zn- Zinc atom anion zn-  
36 Zn+ Zinc atom cation zn+  
37 MgH magnesium monohydride mgh  
38 CaH Calcium monohydride cah  
39 CaH+ Calcium monohydride cation cah+  
40 TiH Titanium monohydride tih  
41 ZnH Zinc monohydride znh  
42 ZnH+ Zinc, protonated znh+  
43 BeH2 beryllium dihydride beh2  
44 BeH2+ Beryllium dihydride cation beh2+  
45 MgH2 magnesium dihydride mgh2  
46 CaH2 Calcium Hydride cah2  
47 ZnH2 Zinc hydride znh2  
48 B- Boron atom anion b-  
49 B+ Boron atom cation b+  
50 Al- Aluminum atom anion al-  
51 Al+ Aluminum atom cation al+  
52 Sc Scandium atom sc  
53 Sc+ Scandium cation sc+  
54 Ga Gallium atom ga  
55 Ga- Gallium atom anion ga-  
56 Ga+ Gallium atom cation ga+  
57 BH Boron monohydride bh  
58 AlH- aluminum monohydride anion alh-  
59 AlH+ aluminum monohydride cation alh+  
60 ScH Scandium monohydride sch  
61 ScH+ Scandium monohydride cation sch+  
62 GaH Gallium monohydride gah  
63 GaH+ Gallium monohydride cation gah+  
64 BH2 boron dihydride bh2  
65 BH2- boron dihydride anion bh2-  
66 BH2+ Boron dihydride cation bh2+  
67 AlH2- aluminum dihydride anion alh2-  
68 AlH2+ aluminum dihydride cation alh2+  
69 BH3 boron trihydride bh3  
70 BH3- boron trihydride anion bh3-  
71 AlH3- aluminum trihydride anion alh3-  
72 AlH3+ aluminum trihydride cation alh3+  
73 ScH3 Scandium trihydride sch3  
74 GaH3 Gallium trihydride gah3  
75 BH4 borohydride bh4  
76 C- Carbon atom anion c-  
77 C+ Carbon atom cation c+  
78 Si- Silicon atom anion si-  
79 Si+ Silicon atom cation si+  
80 Ti Titanium atom ti  
81 Ti- Titanium atom anion ti-  
82 Ti+ Titanium atom cation ti+  
83 Ge Germanium atom ge  
84 Ge- Germanium anion ge-  
85 Ge+ Germanium cation ge+  
86 Sn Tin atom sn  
87 Sn+ Tin cation sn+  
88 SiH- silicon monohydride anion sih-  
89 SiH+ silicon monohydride cation sih+  
90 GeH germylidene geh  
91 GeH+ Germaniun monohyrdide cation geh+  
92 CH2 Methylene ch2  
93 SiH2- silicon dihydride anion sih2-  
94 SiH2+ silicon dihydride cation sih2+  
95 GeH2 germylene geh2  
96 GeH2- germylene anion geh2-  
97 CH3 Methyl radical ch3  
98 SiH3- Silyl anion sih3-  
99 GeH3 Germyl radical geh3  
100 GeH3+ germyl cation geh3+  
101 CD4 methane-d4 cd4  
102 CH2D2 methane-d2 ch2d2  
103 CH3D methane-d ch3d  
104 CH4- Methane anion ch4-  
105 CHD3 methane-d3 chd3  
106 SiH2D2 silane-d2 sih2d2  
107 SiH4+ Silane cation sih4+  
108 GeH4 Germane geh4  
109 SnH4 Stannane snh4  
110 SiH5+ Silane, protonated sih5+  
111 N Nitrogen atom n  
112 N- Nitrogen atom anion n-  
113 N+ Nitrogen atom cation n+  
114 P- Phosphorus atom anion p-  
115 P+ Phosphorus atom cation p+  
116 V Vanadium atom v  
117 V+ Vanadium atom cation v+  
118 As Arsenic atomic as  
119 As- Arsenic anion as-  
120 As+ Arsenic cation as+  
121 Sb Antimony atom sb  
122 PH- phosphorus monohydride anion ph-  
123 PH+ phosphorus monohydride cation ph+  
124 AsH Arsenic monohydride ash  
125 AsH+ Arsenic monohydride cation ash+  
126 SbH Antimony monohydride sbh  
127 ND2 Amidogen-d2 nd2  
128 NH2 Amino radical nh2  
129 NH2+ Amino cation nh2+  
130 PH2- Phosphino anion ph2-  
131 PH2+ Phosphino cation ph2+  
132 AsH2 Arsenic dihydride ash2  
133 AsH2+ Arsenic dihydride cation ash2+  
134 ND3 Ammonia-d3 nd3  
135 NH3- Ammonia anion nh3-  
136 PH3+ Phosphine cation ph3+  
137 AsH3 Arsine ash3  
138 AsH3+ Arsine cation ash3+  
139 SbH3 Stibine sbh3  
140 AsH4+ Arsonium ash4+  
141 NH4 Ammonium radical nh4  
142 PH4 Phosphoranyl radical ph4  
143 O- Oxygen atom anion o-  
144 O+ Oxygen atom cation o+  
145 S- Sulfur atom anion s-  
146 S+ Sulfur atom cation s+  
147 Cr Chromium atom cr  
148 Se Selenium atom se  
149 Se- Selenium atom anion se-  
150 Se+ Selenium atom cation se+  
151 Te Tellurium atom te  
152 Te+ Tellurium atom cation te+  
153 DO Hydroxyl-d od  
154 CrH Chromium hydride crh  
155 CrH+ Chromium hydride cation crh+  
156 HSe Selenium monohydride hse  
157 HSe- selenium monohydride anion hse-  
158 HSe+ selenium monohydride cation hse+  
159 TeH Telluryl radical teh  
160 D2O Deuterium oxide d2o  
161 HDO Water-d1 hdo  
162 H2S- Hydrogen sulfide anion h2s-  
163 H2Se Hydrogen selenide h2se  
164 H2Se+ Hydrogen selenide cation h2se+  
165 H2Te Hydrogen Telluride h2te  
166 H3Se+ Hydrogen Selenide, protonated h3se+  
167 F- Fluorine atom anion f-  
168 F+ Fluorine atom cation f+  
169 Cl- Chlorine atom anion cl-  
170 Cl+ Chlorine atom cation cl+  
171 Mn Manganese atom mn  
172 Br Bromine atom br  
173 Br- Bromine atom anion br-  
174 Br+ Bromine atom cation br+  
175 I Iodine atom iodine  
176 I- Iodine atom anion iodine-  
177 I+ Iodine atom cation iodine+  
178 DF Hydrofluoric acid-d df  
179 DCl Hydrochloric acid-d dcl  
180 HBr hydrogen bromide hbr  
181 HBr- hydrogen bromide anion hbr-  
182 HBr+ hydrogen bromide cation hbr+  
183 HI Hydrogen iodide hi  
184 HI+ Hydrogen iodide cation hi+  
185 H2Br+ protonated hydrogen bromide h2br+  
186 H2I+ Iodonium h2i+  
187 Ne- Neon atom anion ne-  
188 Ne+ Neon atom cation ne+  
189 Ar Argon atom ar  
190 Ar- Argon atom anion ar-  
191 Ar+ Argon atom cation ar+  
192 Fe Iron atom fe  
193 Kr Krypton atom kr  
194 Kr+ Krypton cation kr+  
195 Xe Xenon atom xe  
196 HeLi+ Helium Lithium cation heli+  
197 NeH neon hydrogen neh  
198 ArH+ Argon hydride cation arh+  
199 KrH+ Protonated Krypton krh+  
200 XeH+ Xenon, protonated xeh+  
201 H2Ar H2 Ar dimer h2ar  
202 Co Cobalt atom cobalt  
203 Ni Nickel atom ni  
204 LiK Lithium Potassium lik  
205 Na2 Sodium diatomic na2  
206 NaK Sodium Potassium nak  
207 NaK+ Sodium Potassium diatomic cation nak+  
208 K2 Potassium diatomic k2  
209 Cu2 Copper diatomic cu2  
210 LiBe Lithium Beryllium libe  
211 LiMg Lithium magnesium limg  
212 NaBe Sodium Beryllium nabe  
213 NaMg Sodium Magnesium namg  
214 Be2 Beryllium diatomic be2  
215 BeMg Beryllium Magnesium bemg  
216 Mg2 Magnesium diatomic mg2  
217 Ca2 Calcium diatomic ca2  
218 LiB Lithium boride lib  
219 LiAl Lithium Aluminum lial  
220 NaAl Sodium aluminum naal  
221 BeB Beryllium monoboride beb  
222 B2+ Boron diatomic cation b2+  
223 Al2 Aluminum diatomic al2  
224 Al2- aluminum diatomic anion al2-  
225 Al2+ aluminum diatomic cation al2+  
226 BGa Boron Gallium bga  
227 AlGa Aluminum Gallium alga  
228 Ga2 Gallium diatomic ga2  
229 HBBH Diborane(2) hbbh  
230 LiBH4 Lithium borohydride libh4  
231 B2H4 Diborane(4) D2d b2h4  
232 HBHHBH Diborane(4) C2V hbhhbh  
233 B2H6+ Diborane cation b2h6  
234 Al2H6 dialane al2h6  
235 Ga2H6 digallane ga2h6  
236 LiC Lithium Carbide lic  
237 BeC Beryllium Carbide bec  
238 CaC Calcium monocarbide cac  
239 BC boron monocarbide bc  
240 BC- boron monocarbide anion bc-  
241 BSi Boron silicide bsi  
242 C2+ carbon diatomic cation c2+  
243 SiC- silicon monocarbide anion sic-  
244 SiC+ silicon monocarbide cation sic+  
245 Si2- silcon diatomic anion si2-  
246 Si2+ silcon diatomic cation si2+  
247 GeC Germanium monocarbide gec  
248 SiGe Silicon Germanium sige  
249 Ge2 Germanium diatomic ge2  
250 ZnCH2 Zinc methylene znch2  
251 H2CC- vinylidene anion h2cc-  
252 HCCH- acetylene anion c2h2-  
253 Si2H2 disilyne si2h2  
254 CuCH3 monomethyl copper cuch3  
255 ZnCH3 Zinc monomethyl znch3  
256 CH2BH methyleneborane ch2bh  
257 C2H3 vinyl c2h3  
258 C2H3- vinyl anion c2h3-  
259 C2H4 Ethylene c2h4  
260 CH2SiH2 silaethylene ch2sih2  
261 Si2H4 Disilene si2h4  
262 CH3BH2 methylborane ch3bh2  
263 C2H5 Ethyl radical c2h5  
264 C2H5- Ethyl anion c2h5-  
265 C2H5+ Ethyl cation c2h5+  
266 C2H6+ ethane cation c2h6+  
267 GeH3CH3 methyl germane geh3ch3  
268 C2H7+ Ethane, protonated c2h7+  
269 LiP Lithium monophosphide lip  
270 BeN Beryllium mononitride ben  
271 BeN+ Beryllium mononitride cation ben+  
272 MgN Magnesium Nitride mgn  
273 AlN- aluminum mononitride anion aln-  
274 AlN+ aluminum mononitride cation aln+  
275 BP Boron monophosphide bp  
276 AlP Aluminum monophosphide alp  
277 GaN Gallium mononitride gan  
278 GaP Gallium monophosphide gap  
279 GaAs Gallium arsenide gaas  
280 CP- carbon monophosphide anion cp-  
281 CP+ carbon monophosphide cation cp+  
282 SiN- silicon mononitride anion sin-  
283 SiN+ silicon mononitride cation sin+  
284 SiP- Silicon monophosphide anion sip-  
285 SiP+ Silicon monophosphide cation sip+  
286 TiN Titanium mononitride tin  
287 PN- phosphorus nitride anion pn-  
288 PN+ phosphorus nitride cation pn+  
289 P2- phosphorus diatomic anion p2-  
290 P2+ phosphorus diatomic cation p2+  
291 AsN Arsenic mononitride asn  
292 AsP Arsenic monophosphide asp  
293 SbN Antimony nitride sbn  
294 As2 Arsenic diatomic as2  
295 HCN- Hydrogen cyanide anion hcn-  
296 HNC+ hydrogen isocyanide cation hnc+  
297 HCP+ Phosphaethyne cation hcp+  
298 NNH+ Dinitrogen monohydride cation nnh+  
299 HPO+ Hydrogen phosphorus oxide cation hpo+  
300 LiNH2 lithium amide linh2  
301 HBNH Boranimine hbnh  
302 CNH2 Aminomethylidyne radical cnh2  
303 CNH2+ N-protonated hydrogen isocyanide cnh2+  
304 H2CN Dihydrogen cyanide radical h2cn  
305 H2CN+ hydrocyanonium cation h2cn+  
306 HCNH methyleneazane hcnh  
307 HCNH+ N-protonated HCN hcnh+  
308 H2NN Isodiazene h2nn  
309 N2H2 (Z)-Diazene n2h2z  
310 N2H2+ trans-diazene cation n2h2+  
311 CH2NH Methanimine ch3n  
312 CH2NH+ Methanimine cation ch2nh+  
313 CHNH2 aminomethylene chnh2  
314 CHNH2+ Aminocarbene cation chnh2+  
315 BH2NH2 Boranamine bh2nh2  
316 N2H4 Hydrazine n2h4  
317 N2H4+ hydrazine cation n2h4+  
318 CH3NH2+ methyl amine cation ch3nh2+  
319 CH3PH2 Methyl phosphine ch3ph2  
320 SiH3NH2 Silane, amino sih3nh2  
321 N2H5+ protonated hydrazine n2h5+  
322 CH3NH3 methyl ammonium radical ch3nh3  
323 CH3PH3+ methyl phosphine, protonated ch3ph3+  
324 NH3NH3 Ammonia Dimer nh3nh3  
325 N2H7+ ammonia ammonium dimer n2h7+  
326 LiO lithium oxide lio  
327 LiS+ Lithium sulfide cation lis+  
328 NaO sodium monoxide nao  
329 KO Potassium monoxide ko  
330 KO+ Potassium monoxide cation ko+  
331 NaS Sodium sulfide nas  
332 CuO Copper Monoxide cuo  
333 LiSe Lithium monoselenide lise  
334 BeO beryllium oxide beo  
335 CaO Calcium monoxide cao  
336 MgS- magnesium sulfide anion mgs-  
337 MgS+ magnesium sulfide cation mgs+  
338 ZnO zinc monoxide zno  
339 ZnS Zinc sulfide zns  
340 BeS- Beryllium monosulfide anion bes-  
341 BeS+ Beryllium monosulfide cation bes+  
342 BO boron monoxide bo  
343 AlO- Aluminum monoxide anion alo-  
344 AlO+ aluminum monoxide cation alo+  
345 BS- boron monosulfide anion bs-  
346 BS+ boron monosulfide cation bs+  
347 AlS- aluminum monosulfide anion als-  
348 AlS+ aluminum monosulfide cation als+  
349 ScO Scandium monoxide sco  
350 GaO Gallium monoxide gao  
351 GaS Gallium monosulfide gas  
352 CS- carbon monosulfide anion cs-  
353 CS+ carbon monosulfide cation cs+  
354 SiO- silicon monoxide anion sio-  
355 SiO+ silicon monoxide cation sio+  
356 SiS- silicon monosulfide anion sis-  
357 SiS+ silicon monosulfide cation sis+  
358 TiO Titanium monoxide tio  
359 CSe Carbon monoselenide cse  
360 CSe- Carbon monoselenide anion cse-  
361 CSe+ Carbon monoselenide cation cse+  
362 GeO+ Germanium monoxide cation geo+  
363 GeS Germanium monosulfide ges  
364 SiSe+ Silicon Monoselenide cation sise+  
365 GeSe Germanium monoselenide gese  
366 NO Nitric oxide no  
367 NS- nitrogen sulfide anion ns-  
368 NS+ nitrogen sulfide cation ns+  
369 PO- phosphorus monoxide anion po-  
370 PO+ phosphorus monoxide cation po+  
371 PS- phosphorus monosulfide anion ps-  
372 PS+ phosphorus monosulfide cation ps+  
373 VO Vanadium monoxide vo  
374 AsO Arsenic monoxide aso  
375 NSe Nitrogen monoselenide nse  
376 AsS Arsenic monosulfide ass  
377 PSe Phosphorus monoselenide pse  
378 AsSe Arsenic monoselenide asse  
379 O2-- dioxygen dianion o2--  
380 SO- sulfur monoxide anion so-  
381 S2- sulfur diatomic anion s2-  
382 SeO Selenium monoxide seo  
383 SeO- selenium monoxide anion seo-  
384 SeO+ selenium monoxide cation seo+  
385 SeS Selenium monosulfide ses  
386 SeS- selenium monosulfide anion ses-  
387 SeS+ selenium monosulfide cation ses+  
388 TeO Tellurium monoxide teo  
389 Se2- selenium diatomic anion se2-  
390 Se2+ selenium diatomic cation se2+  
391 Te2 Tellurium diatomic te2  
392 LiOH lithium hydroxide lioh  
393 NaOH sodium hydroxide naoh  
394 KOH Potassium hydroxide koh  
395 BeOH beryllium monohydroxide beoh  
396 MgOH magnesium hydroxide mgoh  
397 CaOH Calcium monohydroxide caoh  
398 HBO Boron hydride oxide hbo  
399 COH Hydroxymethylidyne coh  
400 COH+ Carbon Monoxide, protonated coh+  
401 HCO Formyl radical hco  
402 HCO- formyl anion hco-  
403 HCS- Thioformyl anion hcs-  
404 HCS+ Thioformyl cation hcs+  
405 NOH Hydroxyimidogen noh  
406 NOH+ O-protonated nitric oxide noh+  
407 HNS Sulfur imide hns  
408 HNS- Sulfur imide anion hns-  
409 HO2 Hydroperoxy radical ho2  
410 HO2+ Hydroperoxy cation ho2+  
411 HS2 Thiosulfeno radical hs2  
412 H2CO Formaldehyde h2co  
413 H2CO- formaldehyde anion h2co-  
414 HOCH hydroxycarbene hoch  
415 H2CS- thioformaldehyde anion h2cs-  
416 H2CS+ thioformaldehyde cation h2cs+  
417 H2NO nitroxide h2no  
418 H2O2 Hydrogen peroxide h2o2  
419 H2O2+ Hydrogen peroxide cation h2o2+  
420 H2OO water oxide h2oo  
421 HOSH hydrogen thioperoxide hosh  
422 H2Se2 hydrogen diselenide h2se2  
423 CH2OH Hydroxymethyl radical ch2oh  
424 CH3O Methoxy radical ch3o  
425 CH3O- methoxy anion ch3o-  
426 CH3O+ Methoxy cation ch3o+  
427 NH2OH+ Hydroxylamine cation nh2oh+  
428 NH3O Ammonia Oxide nh3o  
429 NH2SH Thiohydroxylamine nh2sh  
430 NH3S sulfidoazane nh3s  
431 H3O2+ hydrogen peroxide, protonated h3o2+  
432 CH3OH Methyl alcohol ch3oh  
433 CH3OH- Methyl alcohol anion ch3oh-  
434 CH3OH+ Methyl alcohol cation ch3oh+  
435 CH3SH+ Methanethiol cation ch3sh+  
436 SiH3OH silanol sih3oh  
437 CH3SeH Methane selenol ch3seh  
438 NH2OH2+ protonated hydroxylamine nh2oh2+  
439 NH3OH+ N-protonated hydroxylamine nh3oh+  
440 H2OH2O water dimer h2oh2o  
441 CH3OH2+ Methanol, protonated ch3oh2+  
442 H2ONH3 Water Ammonia Dimer h2onh3  
443 H5O2+ Dihydroxonium ion h5o2+  
444 LiF lithium fluoride lif  
445 NaF sodium fluoride naf  
446 KF Potassium Fluoride kf  
447 KCl Potassium Chloride kcl  
448 CuF Copper monofluoride cuf  
449 LiBr Lithium Bromide libr  
450 LiBr- lithium bromide anion libr-  
451 LiBr+ lithium bromide cation libr+  
452 CuCl Copper monochloride cucl  
453 NaBr Sodium Bromide nabr  
454 NaBr- sodium bromide anion nabr-  
455 NaBr+ sodium bromide cation nabr+  
456 KBr Potassium Bromide kbr  
457 LiI Lithium Iodide lii  
458 NaI Sodium Iodide nai  
459 KI Potassium Iodide ki  
460 BeF Beryllium monofluoride bef  
461 MgF Magnesium monofluoride mgf  
462 CaF Calcium monofluoride caf  
463 CaCl calcium monochloride cacl  
464 TiCl Titanium Monochloride ticl  
465 ZnF Zinc monofluoride znf  
466 ZnF- Zinc monofluoride anion znf-  
467 ZnF+ Zinc monofluoride cation znf+  
468 ZnCl Zinc monochloride zncl  
469 CaBr Calcium monobromide cabr  
470 AlF- Aluminum monofluoride anion alf-  
471 AlF+ Aluminum monofluoride cation alf+  
472 ScF Scandium monofluoride scf  
473 BBr Boron monobromide bbr  
474 GaF Gallium monofluoride gaf  
475 GaF+ Gallium monofluoride cation gaf+  
476 AlBr Aluminum monobromide albr  
477 GaCl Gallium monochloride gacl  
478 GaCl+ Gallium monochloride cation gacl+  
479 AlI Aluminum monoiodide ali  
480 GaBr Gallium monobromide gabr  
481 CF Fluoromethylidyne cf  
482 SiF- silicon monofluoride anion sif-  
483 CBr Carbon monobromide cbr  
484 GeF Germanium monofluoride gef  
485 GeF+ Germanium monofluoride cation gef+  
486 GeCl Germanium monochloride gecl  
487 GeCl+ Germanium monochloride cation gecl+  
488 SiBr Silicon monobromide sibr  
489 SiBr+ Silicon monobromide cation sibr+  
490 NF nitrogen fluoride nf  
491 PF- phosphorus monofluoride anion pf-  
492 PF+ phosphorus monofluoride cation pf+  
493 AsF Arsenic monofluoride asf  
494 NBr nitrogen monobromide nbr  
495 AsCl Arsenic monochloride ascl  
496 PBr Phosphorus monobromide pbr  
497 SbF Antimony monofluoride sbf  
498 SbCl Antimony monochloride sbcl  
499 FO Oxygen monofluoride fo  
500 ClO- chlorine monoxide anion clo-  
501 SF- sulfur monofluoride anion sf-  
502 BrO Bromine monoxide bro  
503 BrO- Bromine monoxide anion bro-  
504 BrO+ Bromine monoxide cation bro+  
505 SeF Selenium monofluoride sef  
506 SBr+ Sulfur monobromide cation sbr+  
507 SeCl Selenium monochloride secl  
508 IO Iodine monoxide io  
509 SeBr Selenium monobromide sebr  
510 BrCl Bromine monochloride brcl  
511 BrF Bromine monofluoride brf  
512 BrF- bromine fluoride anion brf-  
513 BrF+ bromine fluoride cation brf+  
514 BrCl- bromine chloride anion brcl-  
515 BrCl+ bromine chloride cation brcl+  
516 IF Iodine monofluoride if  
517 Br2 Bromine diatomic br2  
518 Br2- bromine diatomic anion br2-  
519 Br2+ bromine diatomic cation br2+  
520 ICl Iodine monochloride icl  
521 IBr Iodine monobromide ibr  
522 I2 Iodine diatomic i2  
523 I2+ Iodine diatomic cation i2+  
524 HCF Fluoromethylene hcf  
525 HCCl Chloromethylene hccl  
526 HSiF fluorosilylene hsif  
527 HSiCl Chlorosilylene hsicl  
528 HSiBr monobromosilylene hsibr  
529 CHBr bromomethylene chbr  
530 HOF Hypofluorous acid hfo  
531 DOCl Hypochlorous acid-d docl  
532 HOCl+ hypochlorous acid cation hocl+  
533 HOBr Hypobromous acid hobr  
534 HOBr+ Hypobromous acid cation hobr+  
535 HOI Hypoiodous acid hoi  
536 F2H+ Fluorine, protonated f2h+  
537 FHF Hydrogen difluoride fhf  
538 FHF- Hydrogen difluoride anion fhf-  
539 ClFH+ Chlorine fluoride, F-protonated clfh+  
540 FClH+ Chlorine fluoride, Cl-protonated fclh+  
541 Cl2H+ Chlorine, protonated cl2h+  
542 CH2Br bromomethyl radical ch2br  
543 CH2F fluoromethyl radical ch2f  
544 CH2F+ fluoromethyl cation ch2f+  
545 CH2Cl+ chloromethyl cation ch2cl+  
546 NH2Cl chloramine nh2cl  
547 H2F2 Hydrogen fluoride dimer h2f2  
548 CH3F+ methyl fluoride cation ch3f+  
549 CD3F methylfluoride-d3 cd3f  
550 CH3F Methyl fluoride ch3f  
551 CD3Cl methyl chloride d3 cd3cl  
552 CH3Cl+ Methyl chloride cation ch3cl+  
553 CH3Br methyl bromide ch3br  
554 GeH3F monofluorogermane geh3f  
555 GeH3Cl monochlorogermane geh3cl  
556 SiH3Br bromosilane sih3br  
557 CH3I methyl iodide ch3i  
558 SiH3I Silyl Iodide sih3i  
559 NH3Cl+ protonated monochloroammonia nh3cl+  
560 CH3ClH+ methyl chloride, protonated ch3clh+  
561 NH4Cl Ammonium chloride nh4cl  
562 LiNe+ Lithium Neon cation line+  
563 Ne2 Neon diatomic ne2  
564 Ne2+ Neon diatomic cation ne2+  
565 Ar2 Argon diatomic ar2  
566 Ar2+ Argon diatomic cation ar2+  
567 Li3 Lithium trimer li3  
568 Li3+ Lithium trimer cation li3+  
569 SiC2 Silicon dicarbide sic2  
570 C3H3 cyclopropenyl radical cpr  
571 C3H3 Propargyl radical propargyl  
572 C3H3- Propargyl anion c3h3-  
573 C3H4 cyclopropene cprop  
574 CH2CCH2 allene allene  
575 CH3CCH propyne propyne  
576 C3H5 Allyl radical allyl  
577 C3H5+ Allyl cation allyl+  
578 CH3CHCH 1-propenyl radical ch3chch  
579 Zn(CH3)2 dimethyl zinc dmz  
580 C3H6 Cyclopropane c3h6  
581 C3H7+ cyclopropane, protonated c3h7+  
582 CH3CHCH3 Isopropyl radical isopropyl  
583 CH3CHCH3+ Isopropyl cation prop2yl+  
584 C3H8 Propane propane  
585 LiCN lithium cyanide licn  
586 NaCN Sodium Cyanide nacn  
587 KCN Potassium cyanide kcn  
588 CuCN Copper cyanide cucn  
589 ZnCN Zinc monocyanide zncn  
590 ZnNC Zinc isocyanide znnc  
591 AlCN Aluminum monocyanide alcn  
592 AlNC Aluminum isocyanide alnc  
593 CN2 3H-Diazirin-3-ylidene cn2  
594 CNN Diazocarbene cnn  
595 NCN Cyanoimidogen ncn  
596 N3+ azide cation n3+  
597 HCCN cyanomethylene hccn  
598 HCNN diazomethyl radical hcnn  
599 HN3+ Hydrazoic acid cation hn3+  
600 HNCNH diiminomethane hncnh  
601 CH2N2 diazirine ch2n2  
602 HNNNH+ 1,2-Triazadienium n2h3+  
603 NH2NN+ hydrazoic acid, protonated nh2nn+  
604 CH3CN Acetonitrile ch3cn  
605 CH3CN- acetonitrile anion ch3cn-  
606 CH3CN+ Acetonitrile cation ch3cn+  
607 CHNCH2 2H-Azirine c157164  
608 CHNHCH 1H-Azirine chnhch  
609 H2CCNH Ethenimine ch2cnh  
610 H2CNCH methyleneaminomethylene ch2nch  
611 HCCNH2 Ethynamine hccnh2  
612 HCNCH2+ 2H-Azirine cation hcnch2+  
613 HNCNH2+ diiminomethane, protonated hncnh2+  
614 NCNH3+ Cyanamide, protonated ncnh3+  
615 NH2CNH+ cyanamide, cn protonated nh2cnh+  
616 NH3CN+ cyanamide, amine protonated nh3cn+  
617 CH2CHNH vinylazine ch2chnh  
618 CH3CHN methylmethaniminyl radical ch3chn  
619 C2H5N Aziridine c2h5n  
620 CH2CHNH2 aminoethene aminoethene  
621 CH3CHNH ethanimine ethanimine  
622 NH2BHNH2 diaminoborane nh2bhnh2  
623 C2H5NH+ Protonated Aziridine c2h5nh+  
624 C2H6N+ aziridine, protonated c2h6n+  
625 NH2CH2NH2 diaminomethane nh2ch2nh2  
626 CH3NHCH3 Dimethylamine ch3nhch3  
627 CH3PHCH3 dimethylphosphine ch3phch3  
628 NH2CH2NH3+ diaminoethane, protonated pdam  
629 (CH3)2NH2+ dimethylammonium cation dmam  
630 CH3CH2NH3+ ethylamine, protonated pea  
631 Na2O disodium monoxide na2o  
632 Na2S Sodium sulfide na2s  
633 LiO2 Lithium dioxide lio2  
634 NaO2 Sodium superoxide nao2  
635 CCO Dicarbon monoxide cco  
636 CNO- fulminate cno-  
637 BO2 Boron dioxide bo2  
638 BO2+ Boron dioxide cation bo2+  
639 N2O Nitrous oxide n2o  
640 N2O- Nitrous oxide anion n2o-  
641 PPO Phosphorus oxide phosphide ppo  
642 OCS+ Carbonyl sulfide cation cos+  
643 CS2- Carbon disulfide anion cs2-  
644 CS2+ Carbon disulfide cation cs2+  
645 TiO2 Titanium dioxide tio2  
646 GeO2 Germanium dioxide geo2  
647 OCSe Carbonyl selenide ocse  
648 SCSe Carbon sulfide selenide scse  
649 GeS2 Germanium disulfide ges2  
650 CSe2 Carbon diselenide cse2  
651 SCTe Carbon sulfide Telluride scte  
652 NO2 Nitrogen dioxide no2  
653 PO2- Phosphorus dioxide anion po2-  
654 PO2+ Phosphorus dioxide cation po2+  
655 AsO2 Aresenic dioxide aso2  
656 O3 Ozone o3  
657 SO2- Sulfur dioxide anion so2-  
658 SO2+ Sulfur dioxide cation so2+  
659 SeO2 Selenium dioxide seo2  
660 SeO2+ Selenium dioxide cation seo2+  
661 TeO2 Tellurium Dioxide teo2  
662 CS2H+ Carbon disulfide, protonated cs2h+  
663 HNCS Isothiocyanic acid hncs  
664 HSCN thiocyanic acid hscn  
665 HNNO nitrosoazane hnno  
666 HNNO+ Nitrous oxide, N-protonated hnno+  
667 NNOH+ Nitrous Oxide, O-protonated nnoh+  
668 HCOO formate neutral radical hcoo  
669 HNO2 Nitrous acid hno2  
670 O3H+ protonated ozone o3h+  
671 SO2H+ protonated sulfur dioxide so2h+  
672 C2H2O Oxirene oxirene  
673 CH2CO Ketene ch2co  
674 Be(OH)2 Beryllium hydroxide beo2h2  
675 Mg(OH)2 Magnesium dihydroxide h2mgo2  
676 NH2NO Nitrosamide nh2no  
677 H2COO Dioxymethyl radical h2coo  
678 H2COO+ dioxymethyl cation h2coo+  
679 HCOOH Formic acid ch2o2  
680 H2O3 Hydrogen trioxide h2o3  
681 NaOCH3 Sodium methoxide naoch3  
682 CH2BOH hydroxy(methylene)borane ch2boh  
683 BH3CO Borane carbonyl bh3co  
684 CH3BO Borane, methyloxo- ch3bo  
685 CH2CHO Vinyloxy radical ch2cho  
686 CH2COH+ ketene, protonated ch2coh+  
687 CH3CO- Acetyl anion ch3co-  
688 CH3CO+ acetyl cation ch3co+  
689 CH2NOH formaldoxime ch2noh  
690 CH3NO nitrosomethane ch3no  
691 CHONH2 formamide formamide  
692 CNOH3 1,2-oxaziridine cnoh3  
693 HOCHNH hydroxymethylimine hochnh  
694 CHSNH2 thioformamide chsnh2  
695 NHCHSH Methanimidothioic acid nhchsh  
696 CH2OOH CH2OOH radical ch2ooh  
697 CH3OO- methylperoxy anion ch3oo-  
698 CH3OO+ methylperoxy cation ch3oo+  
699 C2H4O Ethylene oxide c2h4o  
700 C2H4O+ ethylene oxide cation c2h4o+  
701 CH3CHO Acetaldehyde ch3cho  
702 CH3CHO+ acetaldehyde cation ch3cho+  
703 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
704 CH2CHSH Ethenethiol ch2chsh  
705 H2CONH2+ protonated formamide h2conh2+  
706 NH2CHOH+ Formamide, O-protonated nh2choh+  
707 NH3CHO+ Formamide, N-Protonated nh3cho+  
708 CH2(OH)2 methanediol ch2o2h2  
709 HSCH2SH Methanedithiol ch4s2  
710 H2OH2CO water formaldehyde dimer h2oh2co  
711 C2H4OH+ ethylene oxide, protonated c2h4oh+  
712 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
713 CH3CH2O Ethoxy radical ethoxy  
714 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
715 CH3CHOH+ acetaldehyde, protonated ch3choh+  
716 CH3OCH2 methoxymethyl radical ch3och2  
717 NH2CH2OH aminomethanol nh2ch2oh  
718 CH3CH2OH Ethanol etoh  
719 CH3OCH3 Dimethyl ether meome  
720 CH3SCH3+ dimethyl sulfide cation mesme+  
721 CH3SeCH3 dimethylselenide dmse  
722 CH3OHH2O methanol water dimer ch3ohh2o  
723 H2OCH3OH water methanol dimer h2och3oh  
724 CuF2 Copper difluoride cuf2  
725 ZnF2 Zinc difluoride znf2  
726 CNF iso cyanogen fluoride cnf  
727 BrCN Cyanogen bromide brcn  
728 ICN Cyanogen iodide icn  
729 FBO Boron monofluoride monoxide fbo  
730 BeF2 Beryllium fluoride bef2  
731 MgF2 Magnesium fluoride mgf2  
732 BeCl2 Beryllium chloride becl2  
733 CaCl2 Calcium Chloride cacl2  
734 ZnCl2 Zinc dichloride zncl2  
735 BeBr2 Beryllium bromide bebr2  
736 CaBr2 Calcium dibromide cabr2  
737 CaF2 Calcium difluoride caf2  
738 FCO Carbonyl fluoride fco  
739 FCO+ Carbonyl fluoride cation fco+  
740 ClCO carbonyl monochloride clco  
741 BF2 Boron difluoride radical bf2  
742 FNO Nitrosyl fluoride fno  
743 BrNO Nitrosyl bromide brno  
744 INO Nitrosyl iodide ino  
745 CF2 Difluoromethylene cf2  
746 CFCl chlorofluoromethylene cfcl  
747 SiF2 Silicon difluoride sif2  
748 SiF2+ Silicon difluoride cation sif2+  
749 CCl2- dichloromethylene anion ccl2-  
750 CCl2+ dichloromethylene cation ccl2+  
751 GeF2 Germanium difluoride gef2  
752 CBr2 dibromomethylene cbr2  
753 FOO Dioxygen monofluoride radical foo  
754 FOO+ Fluorine dioxide cation foo+  
755 ClOO+ chloroperoxy cation cloo+  
756 OClO- Chlorine dioxide anion oclo-  
757 OClO+ Chlorine dioxide cation oclo+  
758 BrOO Bromine dioxide broo  
759 OBrO Bromine dioxide radical obro  
760 NF2 Difluoroamino radical nf2  
761 PF2 Phosphorus difluoride pf2  
762 PF2+ Phosphorus difluoride cation pf2+  
763 F2O Difluorine monoxide f2o  
764 SF2- sulfur difluoride anion sf2-  
765 SF2+ sulfur difluoride cation sf2+  
766 SeF2 Selenium difluoride sef2  
767 BrOCl Bromine hypochlorite brocl  
768 BrOBr Bromine oxide brobr  
769 F3- trifluoride anion f3-  
770 Cl3- trichloride anion cl3-  
771 Br3- tribromide anion br3-  
772 I3- triiodide i3-  
773 SFCl Sulfur chloride fluoride sfcl  
774 HCCF+ fluoroacetylene cation hccf+  
775 HCCCl Chloroacetylene hcccl  
776 HCCBr bromoacetylene hccbr  
777 HFCO+ formyl fluoride cation hfco+  
778 COHCl Formyl chloride cohcl  
779 COHBr Formyl bromide cohbr  
780 BHF2 Difluoroborane bhf2  
781 CHCl2 dichloromethyl radical chcl2  
782 CHF2 difluoromethyl radical chf2  
783 CHF2+ difluoromethyl cation chf2+  
784 CHFCl Chlorofluoromethyl radical chfcl  
785 CHFCl+ Chlorofluoromethyl cation chfcl+  
786 CHCl2+ dichloromethyl cation chcl2+  
787 CHBr2 dibromomethyl radical chbr2  
788 HOClO Chlorous acid hoclo  
789 NHF2 difluoramine nhf2  
790 NHCl2 dichloroamine nhcl2  
791 SiH2F2 difluorosilane sih2f2  
792 CH2BrF Methane, bromofluoro- ch2fbr  
793 CH2BrCl Methane, bromochloro- ch2clbr  
794 CH2FI fluoroiodomethane ch2fi  
795 CH2Br2 dibromomethane ch2br2  
796 CH2ClI chloroiodomethane ch2cli  
797 CH2BrI bromoiodomethane ch2bri  
798 CH2I2 Diiodomethane ch2i2  
799 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
800 CH2CHF Ethene, fluoro- ch2chf  
801 CH2CHF+ fluoroethene cation ch2chf+  
802 C2H3Br vinyl bromide c2h3br  
803 C2H3I Vinyl iodide c2h3i  
804 CH2FOH fluoromethanol ch2foh  
805 CH3OCl methyl hypochlorite ch3ocl  
806 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
807 CHClCH3 1-chloroethyl radical chclch3  
808 CH3CH2Cl Ethyl chloride c2h5cl  
809 CH3SiFH2 fluoromethylsilane ch3sifh2  
810 C2H5Br Ethyl bromide etbr  
811 C2H5I Ethyl iodide c2h5i  
812 KrF2 Krypton difluoride krf2  
813 XeF2 Xenon difluoride xef2  
814 B4H10 Tetraborane(10) b4h10  
815 C4H2+ diacetlyene cation c4h2+  
816 C4H4 cyclobutadiene cbd  
817 C4H4 Tetrahedrane c4h4  
818 C4H6 1-Methylcyclopropene c3100047  
819 C4H6 Cyclobutene c822355  
820 C4H6 Methylenecyclopropane c6142730  
821 CH2CCHCH3 1,2-Butadiene butad12  
822 CH2CHCHCH2 1,3-Butadiene c106990  
823 CH3CCCH3 2-Butyne c503173  
824 CHCCH2CH3 1-Butyne c107006  
825 CH3CHCHCH2 methylallyl radical c4h7  
826 C4H8 methylcyclopropane mcp  
827 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
828 B(CH3)3 trimethylborane bme3  
829 Al(CH3)3 trimethyl aluminum tma  
830 C(CH3)3 Tert-butyl radical tbutyl  
831 CH2CH(CH3)2 Isobutyl radical isobutyl  
832 CH3CHCH2CH3 2-Butyl radical butyl2  
833 CH3CH(CH3)CH3 Isobutane isobutane  
834 Li3N trilithium nitride li3n  
835 C2N2 Cyanogen c2n2  
836 C2N2+ Cyanogen cation c2n2+  
837 As4 Arsenic tetramer as4  
838 HCCCN+ Cyanoacetylene cation hcccn+  
839 H2CNCN cyanamide, methylene ch2ncn  
840 HNCCNH Ethenediimine hnccnh  
841 C3H3N acrylonitrile ch2chcn  
842 C3H3N+ acrylonitrile cation ch2chcn+  
843 CH3N3 methyl azide ch3n3  
844 NH2CCNH2 Diaminoacetylene daa  
845 NH2CH2CN Aminoacetonitrile aan  
846 CH3NHN2+ methyl azide, protonated ch3nhn2+  
847 C2H5CN ethyl cyanide c2h5cn  
848 CH5N3 Guanidine guanidine  
849 C4H6 Bicyclo[1.1.0]butane c157335  
850 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
851 H2NCHCHNH2 diaminoethylene dae  
852 CH6N3+ guanidinium ch6n3+  
853 C3H7N Cyclopropylamine cpram  
854 CH7N3 triaminomethane tam  
855 C3H7N Azetidine azet  
856 C4H8 cyclobutane cbutane  
857 CH3CH(NH2)CH3 2-Propanamine pram2  
858 N(CH3)3 Trimethylamine trimeam  
859 NH2CH2CH2CH3 1-Propanamine pram1  
860 P(CH3)3 trimethylphosphine tmp  
861 N(SiH3)3 trisilylamine tsa  
862 As(CH3)3 trimethyl arsine tmas  
863 (CH3)3NH+ protonated trimethyl amine ptma  
864 C3H7NH3+ n-propylamine, protonated c3h7nh2  
865 Li2O2 dilithium dioxide li2o2  
866 Na2O2 disodium dioxide na2o2  
867 K2O2 dipotassium dioxide k2o2  
868 C3O Tricarbon monoxide c3o  
869 B2O2 Diboron dioxide b2o2  
870 CO3 Carbon trioxide co3  
871 NO3- nitrate anion no3-  
872 SO3- Sulfur trioxide anion so3-  
873 SO3-- Sulfate dianion so3--  
874 SO3+ Sulfur trioxide cation so3+  
875 SeO3 selenium trioxide seo3  
876 TeO3 Tellurium trioxide teo3  
877 HCO3- bicarbonate anion hco3-  
878 HNO3 Nitric acid hno3  
879 HSO3 Hydroxysulfonyl radical hso3  
880 NH2NO2 nitramide nh2no2  
881 C2H2CO cyclopropenone c2h2co  
882 C3H2O Propadienal c3h2o  
883 HCCCHO 2-propynal hcccho  
884 C2H2O2 Ethanedial c2h2o2  
885 C2H2O2+ Ethanedial cation c2h2o2+  
886 H2CO3 Carbonic acid h2co3  
887 H2CS3 thiocarbonic acid h2cs3  
888 H2NO3+ Nitric Acid, Protonated h2no3+  
889 H2SO3 Sulfurous acid h2so3  
890 C2H3NO Nitrosoethylene c2h3no  
891 CH3NCO methylisocyante ch3nco  
892 HOCH2CN cyanomethanol hoch2cn  
893 CH3NO2 Methane, nitro- ch3no2  
894 NH2COOH Carbamic acid nh2cooh  
895 H3CO3+ carbonic acid, protonated h3co3+  
896 C3H4O 2-Propyn-1-ol c107197  
897 C3H4O Cyclopropanone cpone  
898 C3H4O Methylketene c6004440  
899 NH2CONH2 Urea urea  
900 NH2CONH2+ Urea cation urea+  
901 CH3COOH Acetic acid ch3cooh  
902 CH3OCHO methyl formate ch3ocho  
903 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
904 NH3COOH+ protonated Carbamic acid nh3cooh+  
905 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
906 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
907 HCOOHH2O Formic acid water dimer hcoohh2o  
908 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
909 CH3COCH2 Acetonyl radical ch3coch2  
910 CH2C(OH)NH2 1-amino vinyl alchohol ava  
911 CH3C(OH)=NH Ethaninidic acid eia  
912 CH3CHNOH Acetaldoxime acetaldoxime  
913 CH3CONH2 Acetamide acetamide  
914 HCONHCH3 N-methylformamide nmfa  
915 CH5N2O+ urea, N-protonated ch4n2o+  
916 H2NCOHNH2+ urea, protonated ureah+  
917 C2H5OO ethylperoxy radical c2h5oo  
918 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
919 C3H5OH Cyclopropanol cproh  
920 C3H6O 2-Propen-1-ol c107186  
921 C3H6O Acetone enol enol  
922 C3H6O Oxetane oxetane  
923 C3H6O Propylene oxide prox  
924 CH3COCH3 Acetone acetone  
925 CH3COCH3- acetone anion ch3coch3-  
926 C3H6S Thiirane, methyl- methiirane  
927 CH3CSCH3 Thioacetone ch3csch3  
928 C2H6O2 1,2-Ethanediol ethdiol  
929 CH3SOCH3 Dimethyl sulfoxide dmso  
930 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
931 CH3COHCH3+ acetone, protonated acetoneh+  
932 HOCH2CH2NH2 monoethanolamine mea  
933 CH3CHOHCH3 Isopropyl alcohol isoproh  
934 CH3OC2H5 Ethane, methoxy- etome  
935 C3H7SH 1-Propanethiol prsh  
936 CH3CHSHCH3 2-Propanethiol isoprsh  
937 CH3SCH2CH3 Ethane, (methylthio)- etsme  
938 H2OCH3OCH3 water dimethylether dimer h2och3och3  
939 Li2F2 Lithium fluoride dimer li2f2  
940 Na2F2 Sodium Fluoride Dimer na2f2  
941 Na2Cl2 Disodium dichloride na2cl2  
942 C2Cl2+ dichloroacetylene cation c2cl2+  
943 FNO2 Nitryl fluoride fno2  
944 FONO Nitrosyl hypofluorite fono  
945 ClONO chlorine nitrite clono  
946 BrONO Bromine nitrite brono  
947 N2F2 (Z)-Difluorodiazene n2f2_z  
948 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
949 CF2O Carbonic difluoride f2co  
950 CF2O+ Carbonic difluoride cation f2co+  
951 COFCl Carbonic chloride fluoride cofcl  
952 COBr2 Carbonic dibromide cobr2  
953 BF3 Borane, trifluoro- bf3  
954 BF3- Borane, trifluoro- anion bf3-  
955 BF3+ boron trifluoride cation bf3+  
956 BClF2 Chlorodifluoroborane bclf2  
957 ScF3 Scandium trifluoride ScF3  
958 BCl3+ Boron Trichloride cation bcl3+  
959 GaF3 Gallium trifluoride gaf3  
960 GaCl3 Gallium trichloride gacl3  
961 BBr3 Boron tribromide bbr3  
962 AlBr3 Aluminum Bromide albr3  
963 ClO3 Chlorine trioxide clo3  
964 BrO3- Bromate anion bro3-  
965 CF3 Trifluoromethyl radical cf3  
966 CF2Cl difluorochloromethyl radical cf2cl  
967 SiF3+ Silicon trifluoride cation sif3+  
968 CFCl2 dichlorofluoromethyl radical cfcl2  
969 CCl3 Trichloromethyl radical ccl3  
970 CCl3- Trichloromethyl anion ccl3-  
971 CCl3+ Trichloromethyl cation ccl3+  
972 CBr3 tribromomethyl radical cbr3  
973 FOOF Perfluoroperoxide foof  
974 ClOOCl Dichlorine dioxide cloocl  
975 SeOCl2 selenium oxychloride seocl2  
976 NF3 Nitrogen trifluoride nf3  
977 AsF3 Arsenic trifluoride asf3  
978 SbF3 Antimony Trifluoride sbf3  
979 AsCl3 Arsenous trichloride ascl3  
980 SbCl3 Antimony Trichloride sbcl3  
981 NBr3 Nitrogen Tribromide nbr3  
982 PBr3 Phosphorus tribromide pbr3  
983 AsBr3 Arsenic tribromide asbr3  
984 NI3 Nitrogen triiodide ni3  
985 PI3 Phosphorus triiodide pi3  
986 BrF3 Bromine trifluoride brf3  
987 IF3 iodone trifluoride if3  
988 CHF3 Methane, trifluoro- chf3  
989 SiHF3 trifluorosilane sihf3  
990 CDCl3 trichloromethane-d cdcl3  
991 CHBrF2 Methane, bromodifluoro- chbrf2  
992 CHFClBr fluorochlorobromomethane chfclbr  
993 CHBrCl2 Methane, bromodichloro- chbrcl2  
994 CHF2I difluoroiodomethane chf2i  
995 CHBr2F dibromofluoromethane chbr2f  
996 CHFClI fluorochloroiodomethane chfcli  
997 CHCl2I dichloroiodomethane chcl2i  
998 CHClBr2 Methane, dibromochloro- chclbr2  
999 CHBr3 bromoform chbr3  
1000 CHI3 Iodoform chi3  
1001 NF3H+ protonated nitrogen trifluoride nf3h+  
1002 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1003 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1004 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1005 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1006 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1007 C2H2Br2 1,1-dibromoethene c2h2br2  
1008 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1009 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1010 CH2FCHO Fluoroacetaldehyde ch2fcho  
1011 CH3COF Acetyl fluoride ch3cof  
1012 CH2ClCHO chloroacetaldehyde ch2clcho  
1013 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1014 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1015 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1016 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1017 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1018 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1019 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1020 CH2CFCH3 2-fluoropropene 2fpro  
1021 CH2CHCH2F Allyl Fluoride allylf  
1022 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1023 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1024 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1025 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1026 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1027 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1028 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1029 CH2FCH2CH3 1-Fluoropropane prf1  
1030 CH3CHFCH3 2-Fluoropropane prf2  
1031 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1032 CH3CHClCH3 Propane, 2-chloro- prcl2  
1033 CH3CH2CH2Br n-propyl bromide prbr  
1034 CH3CHBrCH3 i-propyl bromide iprbr  
1035 C3H9O+ trimethyl oxonium cation c3h9o+  
1036 B5H9 pentaborane9 b5h9  
1037 C5H4 pentatetraene ptrene  
1038 C5H5 cyclopentadienyl radical c5h5  
1039 C5H6 1,3-Cyclopentadiene c542927  
1040 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1041 C5H6 3-Penten-1-yne, (E)- c2004695  
1042 C5H6 3-Penten-1-yne, (Z)- c1574409  
1043 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1044 C5H6 Cyclopropylacetylene c6746947  
1045 C5H6 Propellane propellane  
1046 C5H7 1,3-pentadienyl radical pdyl  
1047 C5H7 cyclopentenyl radical cpyl  
1048 C5H8 1,2-Butadiene, 3-methyl- c598254  
1049 C5H8 1,2-Pentadiene c591957  
1050 C5H8 1,3-Butadiene, 2-methyl- c78795  
1051 C5H8 1,3-Pentadiene, (E)- c2004708  
1052 C5H8 1-pentyne a1pentyne  
1053 C5H8 2,3-Pentadiene c591968  
1054 C5H8 Bicyclo[1.1.1]pentane bcp  
1055 C5H8 Ethenylcyclopropane c693867  
1056 CH3CCCH2CH3 2-Pentyne 2pentyne  
1057 C5H10 1-Butene, 2-methyl- c563462  
1058 C5H10 2-Butene, 2-methyl- c513359  
1059 C5H10 2-Pentene, (E)- c646048  
1060 C5H10 2-Pentene, (Z)- c627203  
1061 C5H10 Cyclopentane c287923  
1062 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1063 C5H11 2-Methylbut-2-yl radical c4348350  
1064 C5H12 Butane, 2-methyl- buta2  
1065 C5H12 Pentane pentane  
1066 C5H12 Propane, 2,2-dimethyl- neopentane  
1067 CH2N4 1H-Tetrazole 1htz  
1068 C3H3N2 imidazolyl radical im  
1069 C3H3N2- imidizolyl anion im-  
1070 C2H3N3 1H-1,2,4-Triazole c288880  
1071 C4H4N pyrrolide radical c4h4n  
1072 C4H4N- pyrrolide anion c4h4n-  
1073 C3H4N2 1H-Imidazole 1himidaz  
1074 C3H4N2 1H-Pyrazole 1hpyraz  
1075 C3H4N2 2H-Imidazole imid2h  
1076 C3H4N2 4H-Imidazole imid4h  
1077 C4H5N (E)-2-Butenenitrile c627269  
1078 C4H5N (Z)-2-Butenenitrile c1190767  
1079 C4H5N 2H-pyrrole pyrrole2  
1080 C4H5N 3H-pyrrole pyrrole3  
1081 C4H5N Cyclopropanecarbonitrile c5500210  
1082 C4H5N Pyrrole pyrrole  
1083 CH2CHCH2CN Allylcyanide ch2chch2cn  
1084 C4H6N+ pyrrole, alpha-protonated appyr  
1085 C4H6N+ pyrrole, beta-protonated bppyr  
1086 C4H6N+ pyrrole, protonated ppyr  
1087 C3H6N2 3-Aminopropionitrile c151188  
1088 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1089 CH3CH2CH2CN Butanenitrile c109740  
1090 C5H8 Bicyclo[2.1.0]pentane c185944  
1091 C5H8 Spiropentane c157404  
1092 C4H9N Cyclobutylamine cbam  
1093 C3H10N2 1,2-Diaminopropane diampr12  
1094 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1095 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1096 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1097 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1098 NH(C2H5)2 diethylamine dea  
1099 NC4H12+ tetramethyl ammonium cation nc4h12+  
1100 C3O2 Carbon suboxide c3o2  
1101 B2O3 diboron trioxide b2o3  
1102 MgCO3 Magnesium Carbonate mgco3  
1103 BeCO3 Beryllium Carbonate beco3  
1104 CaCO3 Calcium Carbonate caco3  
1105 ONONO Nitrosyl nitrite onono  
1106 HOONO2 peroxy nitric acid hoono2  
1107 HSO4- bisulfate anion hso4-  
1108 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1109 C3H2O2 Propiolic acid c3h2o2  
1110 CHOCOOH oxo acetic acid oaa  
1111 CHOOCHO diformyl ether choocho  
1112 H2SeO4 Selenic acid h2seo4  
1113 C3H3NO Isoxazole isox  
1114 C3H3NO Oxazole oxazole  
1115 C3H3NS Thiazole thiazole  
1116 CH3C(O)OO acetyl peroxy radical ch3coo2  
1117 CH3NO3 Methyl nitrate ch3no3  
1118 H3PO4 Phosphoric Acid h3po4  
1119 C4H4O Furan furan  
1120 C4H4O+ Furan cation furan+  
1121 CH3COCCH 3-butyn-2-one c1423605  
1122 C4H4Se selenophene c4h4se  
1123 C3H4O2 β–Propiolactone beta  
1124 C3H4O2 2-Propenoic acid propenoic2  
1125 C3H4O2 Methyl glyoxal megly  
1126 HOCHCCHOH allenediol aldiol  
1127 C2H4O3 1,2,3-trioxolane c2h4o3  
1128 C2H4O3 trioxolane124 triox  
1129 HOCH2COOH Hydroxyacetic acid hac  
1130 CH2CHCONH2 Acrylamide c79061  
1131 CH5N3S Hydrazinecarbothioamide c79196  
1132 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1133 C4H6O Cyclobutanone cbutone  
1134 C4H6O Furan, 2,3-dihydro- furan23h  
1135 CH2CHOCHCH2 Vinyl ether vinylether  
1136 CHOCHCHCH3 2-Butenal butenal2  
1137 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1138 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1139 CH2CHSCHCH2 Divinyl sulfide divis  
1140 C2H6N2O Urea, methyl- c598505  
1141 CH3CH2COOH Propanoic Acid propanoic  
1142 HCOOC2H5 Ethyl formate faee  
1143 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1144 C3H7NO Propanamide propanam  
1145 C2H3OC2H5 Ethene, ethoxy- c109922  
1146 C4H8O Furan, tetrahydro- thf  
1147 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1148 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1149 CHOCH2CH2CH3 Butanal butanal  
1150 C4H8S Thiophene, tetrahydro- tht  
1151 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1152 C3H8O2 Methane, dimethoxy- c109875  
1153 C3H8O2 Propylene glycol c57556  
1154 C3H8S2 1,3-Propanedithiol c109808  
1155 C4H10O 1-Butanol butanol1  
1156 C4H10O 2-Butanol, (.+/-.)- butanol2  
1157 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1158 C4H10O Ethoxy ethane etoet  
1159 C4H10O Methyl propyl ether meopr  
1160 C4H10O Propane, 2-methoxy- c598538  
1161 C4H10O+ 1-Butanol cation butanol1+  
1162 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1163 C2H5SC2H5 Diethyl sulfide etset  
1164 C4H9SH 1-Butanethiol bush  
1165 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1166 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1167 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1168 FNO3 Fluorine nitrate fno3  
1169 ClONO2 Chlorine nitrate clono2  
1170 BrONO2 Bromine nitrate brono2  
1171 TiCl4 Titanium tetrachloride ticl4  
1172 SO2F2 Sulfuryl fluoride so2f2  
1173 F3NO Nitrogen trifluoride oxide f3no  
1174 CF4 Carbon tetrafluoride cf4  
1175 TiF4 Titanium tetrafluoride tif4  
1176 CF3Br Bromotrifluoromethane cf3br  
1177 GeF4 Germanium tetrafluoride gef4  
1178 CCl4+ Carbon tetrachloride cation ccl4+  
1179 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1180 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1181 CF3I trifluoroiodomethane cf3i  
1182 CBrCl3 Methane, bromotrichloro- cbrcl3  
1183 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1184 GeCl4 Germanium Tetrachloride gecl4  
1185 CBr2ClF dibromochlorofluoromethane cbr2clf  
1186 CBr2Cl2 dibromodichloromethane cbr2cl2  
1187 CCl3I trichloroiodomethane ccl3i  
1188 CFBr3 fluorotribromomethane cfbr3  
1189 CFClBrI fluorochlorobromoiodomethane cfclbri  
1190 CBr3Cl tribromochloromethane cbr3cl  
1191 CF2I2 difluorodiiodomethane cf2i2  
1192 CBr4 Carbon tetrabromide cbr4  
1193 CCl2I2 dichlorodiiodomethane ccl2i2  
1194 SiBr4 Silicon tetrabromide sibr4  
1195 CBr3I tribromoiododmethane cbr3i  
1196 GeBr4 Germanium tetrabromide gebr4  
1197 CI4 tetraiodomethane ci4  
1198 SiI4 silicon tetraiodide sii4  
1199 ClOF3 Chlorine trifluoride oxide clof3  
1200 SeF4 Selenium tetrafluoride sef4  
1201 SCl4 Sulfur tetrachloride scl4  
1202 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1203 HSO3F Fluorosulfonic acid hso3f  
1204 CF3OH trifluoromethanol cf3oh  
1205 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1206 CHClCCHCl 1,3-dichloroallene chclcchcl  
1207 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1208 CHCl2CHO dichloroacetaldehyde chcl2cho  
1209 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1210 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1211 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1212 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1213 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1214 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1215 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1216 NH3BCl3 Amminetrichloroboron nh3bcl3  
1217 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1218 C3H5ClO Oxirane, (chloromethyl)- c106898  
1219 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1220 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1221 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1222 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1223 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1224 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1225 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1226 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1227 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1228 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1229 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1230 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1231 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1232 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1233 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1234 C4H9F 1-fluorobutane butaf1  
1235 CH3CHFCH2CH3 2-fluorobutane butaf2  
1236 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1237 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1238 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1239 XeF4 Xenon tetrafluoride xef4  
1240 C2H2N2O Furazan furazan  
1241 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1242 NH3BF3 Amminetrifluoroboron nh3bf3  
1243 C6H2 hexatriyne c6h2  
1244 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1245 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1246 C6H5 phenyl phenyl  
1247 C6H5- phenyl anion phenyl-  
1248 C6H6 Prismane prismane  
1249 C6H6 1,2,4,5-Hexatetraene ht1245  
1250 C6H6 2,4-Hexadiyne hexadiyne  
1251 C6H6 3,4-Dimethylenecyclobutene cb34m  
1252 C6H6 Benzene benzene  
1253 C6H6 Benzvalene bv  
1254 C6H6 Dewar Benzene dewar  
1255 C6H6 Hexa-1,5-diene-3-yne hdy153  
1256 C6H6 Trimethylenecycopropane tmcp  
1257 C6H6+ Benzene cation c6h6+  
1258 C6H7+ benzene, protonated c6h7+  
1259 C6H8 (E)-hexa-1,3,5-triene c821078  
1260 C6H8 (E)-hexa-2,3,4-triene c59660650  
1261 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1262 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1263 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1264 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1265 C6H8 3-Methylenecyclopentene c930267  
1266 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1267 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1268 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1269 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1270 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1271 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1272 C6H10 1,5-Hexadiene c592427  
1273 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1274 C6H10 1-Hexyne hexyne1  
1275 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1276 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1277 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1278 C6H10 2-Hexyne c764352  
1279 C6H10 3-Hexyne hexyne3  
1280 C6H10 Cyclopentene, 1-methyl- c693890  
1281 C6H10 Cyclopentene, 3-methyl- c1120623  
1282 C6H10 Cyclopentene, 4-methyl- c1759815  
1283 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1284 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1285 C6H12 (E)-2-Hexene e2hexene  
1286 C6H12 (E)-3-methylpent-2-ene c616126  
1287 C6H12 (E)-hex-3-ene e3hexene  
1288 C6H12 (Z)-3-methylpent-2-ene c922623  
1289 C6H12 (Z)-hex-2-ene z2hexene  
1290 C6H12 (Z)-hex-3-ene z3hexene  
1291 C6H12 2,3-dimethylbut-1-ene c563780  
1292 C6H12 2,3-dimethyl-but-2-ene tmeet  
1293 C6H12 3-methylenepentane c760214  
1294 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1295 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1296 C6H12 Cyclopentane, methyl- c96377  
1297 C6H12 Ethylcyclobutane c4806615  
1298 C6H12 hex-1-ene hexene1  
1299 C6H14 Butane, 2,2-dimethyl- buta22  
1300 C6H14 Hexane hexane  
1301 C6H14 Pentane, 2-methyl- penta2  
1302 C6H14 Pentane, 3-methyl- penta3  
1303 C4N2 2-Butynedinitrile c4n2  
1304 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1305 C4H2N2 Fumaronitrile c4h2n2  
1306 C3H3N3 1,3,5-Triazine triazine135  
1307 CH3N5 5-Aminotetrazole c4418615  
1308 C4H4N2 1,3-Diazine diazine13  
1309 C4H4N2 Pyridazine pyridazine  
1310 C4H4N2 Succinonitrile c110612  
1311 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1312 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1313 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1314 C5H5N E-2,4-pentadienenitrile bdcn  
1315 C5H5N Pyridine pyridine  
1316 C5H6N+ Pyridinium c5h6n  
1317 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1318 C5H7N (E)-2-Pentenenitrile c26294984  
1319 C5H7N (E)-3-Pentenenitrile c16529661  
1320 C5H7N (Z)-2-Pentenenitrile c25899507  
1321 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1322 C5H7N Cyclobutanecarbonitrile c4426113  
1323 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1324 C5H9N Butanenitrile, 2-methyl- c18936179  
1325 C5H9N Pentanenitrile c110598  
1326 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1327 C6H10 Bicyclo[3.1.0]hexane c285585  
1328 C5H11N Cyclopentanamine cypentam  
1329 C5H11N Piperidine piper  
1330 C4H12N2 1,2-Butanediamine c4426486  
1331 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1332 Li2CO3 Lithium Carbonate li2co3  
1333 Na2CO3 Sodium Carbonate na2co3  
1334 MgSO4 Magnesium Sulfate mgso4  
1335 N2O4 Dinitrogen tetroxide n2o4  
1336 C3H2O3 vinylene carbonate vica  
1337 C2H2O4 Oxalic Acid oxalic  
1338 C4H4O2 2(5H)-Furanone furanone  
1339 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1340 C2H4N2O2 Oxalamide oxalamide  
1341 C2H4N2S2 Ethanedithioamide c79403  
1342 C2H4CO3 Ethylene carbonate etco3  
1343 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1344 C3H4S3 1,3-Dithiolane-2-thione c822388  
1345 C2H4O4 Formic acid dimer fadimer  
1346 C4H5NO 3-Methylisoxazole isox3m  
1347 C4H5NO Isoxazole, 5-methyl- c5765446  
1348 C4H5NS 4-Methylthiazole c693958  
1349 C2H5NO3 Nitric acid, ethyl ester c625581  
1350 C5H6O 2H-Pyran pyran2  
1351 C5H6O 2-methylfuran furan2m  
1352 C5H6O 3-Methylfuran furan3m  
1353 C5H6O Pentadienal pdal  
1354 C5H6S Thiophene, 2-methyl- c554143  
1355 C5H6S Thiophene, 3-methyl- c616444  
1356 C4H6O2 γ–Butyrolactone c96480  
1357 C4H6O2 2-Propenoic acid, methyl ester c96333  
1358 C4H6O2 Crotonic Acid crot  
1359 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1360 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1361 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1362 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1363 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1364 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1365 C4H6OS Vinyl sulfoxide c1115157  
1366 CH6N4S Carbonothioic dihydrazide thiacarb  
1367 C2H6N2O2 (E)-Azodioxymethane c37765154  
1368 C2H6N2O2 Dimethylnitroamine c4164287  
1369 C3H6O3 1,3,5-Trioxane trioxane  
1370 C3H6S3 1,3,5-Trithiane c3h6s3  
1371 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1372 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1373 C4H7NO Ethoxyacetonitrile etoaccn  
1374 C4H7NO Methacrylamide c79390  
1375 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1376 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1377 C3H7ONO Propyl nitrite prono  
1378 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1379 NH2COOC2H5 Urethane urethane  
1380 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1381 C5H8O Cyclopentanone c120923  
1382 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1383 C5H8O Methyl cyclopropyl ketone c765435  
1384 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1385 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1386 NH2CONHC2H5 Urea, ethyl- c625525  
1387 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1388 C4H8O2 1,4-Dioxane dioxan14  
1389 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1390 C4H8O2 Ethyl acetate c141786  
1391 C4H8OS s-Ethyl thioacetate c625605  
1392 C3H8O3 1,2,3-Propanetriol glycerin  
1393 C3H8O2S (Methylsulfonyl)ethane c594434  
1394 C4H9NO Butanamide c541355  
1395 C4H9NO Propanamide, 2-methyl- c563837  
1396 C5H10O 2-Butanone, 3-methyl- c563804  
1397 C5H10O 2H-Pyran, tetrahydro- c142687  
1398 C5H10O 2-methylbutyraldehyde 2meba  
1399 C5H10O 2-Pentanone mpk  
1400 C5H10O Cyclopentanol c96413  
1401 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1402 C5H10O Pentanal pal  
1403 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1404 C5H10S 3-Ethylthio-1-propene c5296628  
1405 C5H10S Cyclopentanethiol c1679078  
1406 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1407 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1408 C4H10O2 1,1-Dimethoxyethane c534156  
1409 C4H10O2 1,3-Butanediol budiol13  
1410 C4H10O2 1,4-Butanediol budiol14  
1411 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1412 C4H10OS Diethyl sulfoxide c70291  
1413 C4H10S2 1,4-Butanedithiol budisl14  
1414 C4H11NO Diethylhydroxylamine c3710847  
1415 C5H12O 1-Butanol, 2-methyl- c137326  
1416 C5H12O 1-Butanol, 3-methyl- c123513  
1417 C5H12O 1-Pentanol pentanol1  
1418 C5H12O 2-Butanol, 3-methyl- c598754  
1419 C5H12O 2-Pentanol peol2  
1420 C5H12O Butane, 1-methoxy- meobu  
1421 C5H12O Propane, 1-ethoxy- proet  
1422 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1423 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1424 C5H12S 1-Butanethiol, 3-methyl- c541311  
1425 C5H12S 1-Pentanethiol c110667  
1426 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1427 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1428 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1429 C5H12S Butane, 1-(methylthio)- c628295  
1430 C5H12S Ethyl propyl sulfide c4110503  
1431 C5H12S Propane, 2-(ethylthio)- c5145993  
1432 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1433 C4F2 difluorobutadiyne c4f2  
1434 ClCOClCO Oxalyl chloride oxcl  
1435 CF3CN Acetonitrile, trifluoro- cf3cn  
1436 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1437 B2F4 Diboron tetrafluoride b2f4  
1438 C2F4 Tetrafluoroethylene c2f4  
1439 C2F4+ Tetrafluoroethylene cation c2f4+  
1440 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1441 CF2CCl2 difluorodichloroethylene cf2ccl2  
1442 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1443 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1444 C2FCl3 fluorotrichloroethene c2fcl3  
1445 C2Br4 tetrabromoethene c2br4  
1446 SOF4 Sulfur tetrafluoride oxide sof4  
1447 AsF5 Arsenic pentafluoride asf5  
1448 PCl5 Phosphorus pentachloride pcl5  
1449 SF5 Sulfur pentafluoride sf5  
1450 SF5+ pentafluoro sulfur cation sf5+  
1451 SbCl5 Antimony pentachloride sbcl5  
1452 BrF5 bromine pentafluoride brf5  
1453 IF5 pentafluoroiodine if5  
1454 CF3CHO trifluoroacetaldehyde cf3cho  
1455 CCl3CHO trichloroacetaldehyde ccl3cho  
1456 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1457 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1458 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1459 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1460 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1461 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1462 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1463 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1464 CF3COOH trifluoroacetic acid cf3cooh  
1465 C4H3ClO Furan, 2-chloro fur2cl  
1466 C4H3ClO Furan,3-chloro fur3cl  
1467 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1468 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1469 C4H8Cl2 1,4-Dichlorobutane c110565  
1470 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1471 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1472 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1473 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1474 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1475 C5H11Cl Pentane, 1-chloro- pencl1  
1476 C4H8O2 Butanoic acid bua  
1477 C7H7 cycloheptatrienyl radical c7h7  
1478 C7H7+ cycloheptatrienyl cation c7h7+  
1479 C6H5CH3 toluene toluene  
1480 C7H8 cycloheptatriene cht  
1481 C7H8 Norbornadiene norbor  
1482 C7H8 Quadricyclane qucy  
1483 C7H12 Norbornane nor  
1484 C7H14 cycloheptane c7h14  
1485 C7H16 2-methylhexane 2mhex  
1486 C7H16 3-methylhexane hex3m  
1487 CH(CN)3 tricyanomethane mecn3  
1488 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1489 C6H7N 2-Methylpyridine mp  
1490 C6H5NH2 aniline aniline  
1491 C6H13N 2-Methylpiperidine pip2m  
1492 C6H13N cyclohexanamine cham  
1493 C6H15N triethylamine tea  
1494 N2O5 Dinitrogen pentoxide n2o5  
1495 C4H2O3 Maleic Anhydride malan  
1496 C6H5O phenoxy radical phenoxy  
1497 C5H5NO 2(1H)-Pyridinone c72762006  
1498 C5H5NO 2(3H)-Pyridinone c9000048  
1499 C5H5NO 2(5H)-Pyridinone c9000037  
1500 C5H5NO 2-Pyridinol c109104  
1501 C5H5NO 3(2H)-Pyridinone c9000004  
1502 C5H5NO 3(4H)-Pyridinone c9000026  
1503 C5H5NO 3(6H)-Pyridinone c9000015  
1504 C5H5NO 3-Pyridinol c109002  
1505 C5H5NO 4(1H)-Pryidinone c9000060  
1506 C5H5NO 4(3H)-Pryidinone c9000059  
1507 C5H5NO 4-Pyridinol c626642  
1508 C6H5OH phenol phenol  
1509 C6H6O 2,4-Cyclohexadienone c24599573  
1510 C6H6O 2,5-Cyclohexadienone c5664335  
1511 C6H5SH Benzenethiol phsh  
1512 HO2CCHNH2CH2OH Serine serine  
1513 C5H8O2 Acetylacetone acac  
1514 C4H8O2S Sulfolane sulfolane  
1515 C7H10 Norbornene norbornene  
1516 CH(C2H3)3 trivinyl methane tvm  
1517 C6H12O hexanal c6h12o  
1518 C6H12O Oxepane oxepane  
1519 C3H7OC3H7 di-n-propyl ether propr  
1520 F2CCCF2 tetrafluoroallene pfa  
1521 CF3COO- trifluoro acetate anion cf3coo-  
1522 CF3COF trifluoroacetyl fluoride cf3cof  
1523 CF3COCl trifluoroacetyl chloride cf3cocl  
1524 PF6 Hexafluorophosphate neutral pf6  
1525 SeF6 Selenium hexafluoride sef6  
1526 CF3CHF2 pentafluoroethane cf3chf2  
1527 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1528 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1529 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1530 CCl3CHCl2 pentachloroethane ccl3chcl2  
1531 C6H5Cl chlorobenzene bzcl  
1532 C6H5Br bromobenzene bzbr  
1533 C8H6 Calicene calicene  
1534 C8H6 benzocyclobutadiene bcbd  
1535 C8H6 Pentalene pentalene  
1536 C8H8 cyclooctatetraene cot  
1537 CH3C6H4CH3 meta-xylene mxylene  
1538 CH3C6H4CH3 paraxylene pxylene  
1539 C8H14 Bicyclo[2.2.2]octane bico222  
1540 C8H16 cyclooctane cyclooct  
1541 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1542 C8H18 Octane c8h18  
1543 C6H5CN phenyl cyanide phcn  
1544 C4O4-- squarate dianion c4o4--  
1545 S4N4 Tetrasulfur tetranitride s4n4  
1546 C4H4N2O2 Uracil uracil  
1547 C6H5CHO benzaldehyde benzal  
1548 C5H9NO2 Proline proline  
1549 C6H12O2 Methyl pivalate c598981  
1550 C6H12O2 Hexanoic acid hexa  
1551 C4F4 tetrafluorcyclobutadiene c4f4  
1552 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1553 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1554 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1555 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1556 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1557 C2Cl6 hexachloroethane c2cl6  
1558 IF7 Iodine heptafluoride if7  
1559 C6H4F2 metadifluorobenzene mdfb  
1560 C6H4Cl2 1,2-dichlorobenzene dcb12  
1561 C6H4Cl2 1,3-dichlorobenzene dcb13  
1562 C6H4Cl2 1,4-dichlorobenzene dcb14  
1563 C6H5NO nitrosobenzene bzno  
1564 C9H8 Indene indene  
1565 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1566 C9H12 n-propyl benzene prbz  
1567 C9H20 Nonane nonane  
1568 C(CN)4 tetracyanomethane c5n4  
1569 C5H4N4 purine purine  
1570 C8H7N Indole indole  
1571 C3H3N3O3 cyanuric acid cyanuric  
1572 C6H5NO2 Nitrobenzene c6h5no2  
1573 CH3COC6H5 acetophenone acph  
1574 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1575 C3F6 hexafluoropropene c3f6  
1576 C6H3F3 Benzene trifluoride 123 bzf3a  
1577 C8H18O 1-Octanol octanol  
1578 C10H8 Azulene azu  
1579 C10H8 naphthalene naph  
1580 C10H10 bullvalene bullv  
1581 C10H16 adamantane adamantane  
1582 C6N4 Tetracyanoethylene tcne  
1583 C6N4- tetracyanoethylene anion tcne-  
1584 C10H22 Decane decane  
1585 C4F6 perfluorobutadiene c4f6  
1586 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1587 C3F8 perfluoropropane c3f8  
1588 Fe(CO)5 Iron pentacarbonyl ipc  
1589 Fe(C5H5)2 ferrocene fecp2  
1590 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1591 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1592 C12H8 Acenaphthylene acenaph  
1593 C12H8 biphenylene biph  
1594 C12H10 Heptalene heptalene  
1595 C6H12O6 Inositol inositol  
1596 C6F6 hexafluorobenzene c6f6  
1597 S2F10 disulphur decafluoride s2f10  
1598 C13H10 Fluorene fluorene  
1599 C14H10 Anthracene anth  
1600 C14H10 Phenanthrene phenanthrene  
1601 C14H14 Bibenzyl bibenzyl  
1602 C12H10N2 azobenzene azobenzene  
1603 C6H5COC6H5 benzophenone benzophenone  
1604 C16H10 Pyrene pyrene  
1605 C18H12 Tetracene tetracene  
1606 C19H16 Triphenylmethane tpm  
1607 C24H12 Coronene coronene  
1608 C60 Buckminsterfullerene c60