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List of which calculations are completed at mPW1PW91 /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 D2 Deuterium diatomic 1ΣgD∞h
4 H2 Hydrogen diatomic 1ΣgD∞h
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 HD Deuterium hydride 1ΣgD∞h
8 H3+ hydrogen trimer cation 1A1'D3h
9 He Helium atom 1SKh
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Na Sodium 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 Mg Magnesium atom 1SKh
22 BeH beryllium monohydride 2ΣC∞v
23 BeH- berylium monohydride anion 1ΣC∞v
24 BeH+ beryllium monohydride cation 1ΣC∞v
25 MgH magnesium monohydride 2ΣC∞v
26 MgH- magnesium monohydride anion 1ΣC∞v
27 MgH+ magnesium monohydride cation 1ΣC∞v
28 BeH2 beryllium dihydride 1ΣgD∞h
29 MgH2 magnesium dihydride 1ΣgD∞h
30 B Boron atom 2PKh
31 BH Boron monohydride 1ΣC∞v
32 BH- boron monohydride anion 2ΠC∞v
33 BH+ boron monohydride cation 2ΣC∞v
34 AlH aluminum monohydride 1ΣC∞v
35 BH2 boron dihydride 2A1C2v
36 BH3 boron trihydride 1A1'D3h
37 BH4- borohydride anion 1A1Td
38 C Carbon atom 3P0Kh
39 Si Silicon atom 3PKh
40 CH Methylidyne 2Π1/2C∞v
41 CH- methylidyne anion 3ΣC∞v
42 CH+ Methylidyne cation 1ΣC∞v
43 CH2 Methylene 3B1C2v
44 CH2 Methylene 1A1C2v
45 CH2- methylene anion 2B1C2v
46 CH2+ methylene cation 2A1C2v
47 SiH2 silicon dihydride 1A1C2v
48 SiH2 silicon dihydride 3B1C2v
49 CH3 Methyl radical 2A1D3h
50 CH3- methyl anion 1A1C3v
51 SiH3 Silyl radical 2A1C3v
52 CH4 Methane 1A1Td
53 SiH4 Silane 1A1Td
54 P Phosphorus atom 4SKh
55 NH Imidogen 3Σ-C∞v
56 NH Imidogen 1Σ+C∞v
57 NH- Imidogen anion 2ΠC∞v
58 NH+ imidogen cation 2ΠC∞v
59 PH phosphorus monohydride 1Σ+C∞v
60 ND2 Amidogen-d2 2B1C2v
61 NH2 Amino radical 2B1C2v
62 NH2- amino anion 1A1C2v
63 ND3 Ammonia-d3 1A1C3v
64 NH3 Ammonia 1A1C3v
65 NH3+ ammonia cation 2A2"D3h
66 PH3 Phosphine 1A1C3v
67 NH4+ ammonium cation 1A1Td
68 PH4+ phosphonium cation   
69 O Oxygen atom 3SKh
70 S Sulfur atom 3PKh
71 DO Hydroxyl-d 2ΠC∞v
72 OH Hydroxyl radical 2ΠC∞v
73 OH- hydroxide anion 1ΣC∞v
74 OH+ hydoxyl cation 3ΣC∞v
75 OH+ hydoxyl cation 1ΣC∞v
76 HS Mercapto radical 2ΠC∞v
77 D2O Deuterium oxide 1A1C2v
78 H2O Water 1A1C2v
79 H2O- water anion 2A1C2v
80 H2O+ water cation 2B1C2v
81 HDO Water-d1 1A1C2v
82 H2S Hydrogen sulfide 1A1C2v
83 H2S+ Hydrogen sulfide cation 2B1C2v
84 H3O+ hydronium cation 1A1C3v
85 H3S+ Sulfonium cation 1A1C3v
86 F Fluorine atom 2PKh
87 Cl Chlorine atom 2PKh
88 DF Hydrofluoric acid-d 1ΣC∞v
89 HF Hydrogen fluoride 1ΣC∞v
90 HF- hydrogen fluoride anion 2ΣC∞v
91 HF+ hydrogen fluoride cation 2ΠC∞v
92 HCl Hydrogen chloride 1ΣC∞v
93 HCl+ hydrogen chloride cation 2ΠC∞v
94 H2F+ dihydrogen fluoride cation 1A1C2v
95 H2Cl+ dihydrogen monochloride cation 1A1C2v
96 Ne Neon atom 1SKh
97 NeH+ neon hydrogen cation 1ΣC∞v
98 Li2 Lithium diatomic 1ΣgD∞v
99 Li2- lithium diatomic anion 2ΣuD∞h
100 Li2+ lithium diatomic cation 2ΣgD∞h
101 NaLi lithium sodium 1ΣC∞v
102 NaLi- lithium sodium anion 2ΣC∞v
103 NaLi+ lithium sodium cation 2ΣC∞v
104 Na2 Sodium diatomic 1ΣgD∞h
105 Na2- sodium diatomic anion 2ΣuD∞h
106 Na2+ sodium diatomic cation 2ΣgD∞h
107 Be2- Beryllium diatomic anion 2ΠuD∞h
108 Be2+ Beryllium diatomic cation 2ΣuD∞h
109 Mg2 Magnesium diatomic 1ΣgD∞h
110 Mg2- magnesium diatomic anion 2ΠUD∞h
111 Mg2+ magnesium diatomic cation 2ΣuD∞h
112 B2 Boron diatomic 3ΣgD∞h
113 B2 Boron diatomic 1ΣgD∞h
114 B2 Boron diatomic 5ΣuD∞h
115 B2- Boron diatomic anion 4ΣgD∞h
116 BAl Boron Aluminum 3ΣC∞v
117 B2H6 Diborane 1AgD2h
118 BC- boron monocarbide anion 3ΠuC∞v
119 BC- boron monocarbide anion 1Σg+C∞v
120 BC+ boron monocarbide cation 3ΣC∞v
121 BC+ boron monocarbide cation 1ΣC∞v
122 AlC Aluminum carbide 4ΣC∞v
123 C2 Carbon diatomic 1Σg+D∞h
124 C2 Carbon diatomic 3ΠuD∞h
125 C2- carbon diatomic anion 2ΣgD∞h
126 C2+ carbon diatomic cation 2ΠD∞h
127 SiC silicon monocarbide 3ΣC∞v
128 SiC silicon monocarbide 1ΣC∞v
129 C2H Ethynyl radical 2ΣC∞v
130 C2H2 Acetylene 1ΣgD∞h
131 C2H2+ acetylene cation 2ΠuD∞h
132 CCH2 vinylidene 1A1C2v
133 C2H3 vinyl 2A'Cs
134 C2H4 Ethylene 1AgD2h
135 C2H5 Ethyl radical 2A'Cs
136 C2H6 Ethane 1A1gD3d
137 Si2H6 disilane 1EuD3d
138 BeN- Beryllium mononitride anion 1ΣC∞v
139 BN- boron nitride anion 2ΣC∞v
140 BN boron nitride 3ΠC∞v
141 BN boron nitride 1ΣC∞v
142 BN+ boron nitride cation 2ΠC∞v
143 AlN Aluminum nitride 3ΠiC∞v
144 CN Cyano radical 2ΣC∞v
145 CN- cyanide anion 1ΣC∞v
146 CN+ Cyano cation 1ΣC∞v
147 SiP Silicon monophosphide 2ΠC∞v
148 N2 Nitrogen diatomic 1ΣgD∞h
149 N2- nitrogen diatomic anion 2ΠgD∞h
150 N2+ diatomic nitrogen cation 2ΣgD∞h
151 P2 Phosphorus diatomic 1ΣgD∞h
152 HNC hydrogen isocyanide 1ΣC∞v
153 HCN Hydrogen cyanide 1ΣC∞v
154 HCN+ hydrogen cyanide cation 2ΠC∞v
155 NNH Dinitrogen monohydride 2A'Cs
156 N2H2 (E)-diazene 1AgC2h
157 CH2NH Methanimine 1A'Cs
158 CH2PH Phosphaethene 1A'Cs
159 CH2NH2+ methyleneamine cation 1A1C2v
160 N2H4 Hydrazine 1AC2
161 CH3NH2 methyl amine 1A'Cs
162 BH3PH3 borane phosphine   
163 LiO lithium oxide 2ΣC∞v
164 LiO- lithium oxide anion 1ΣC∞v
165 LiO+ lithium oxide cation 3ΣC∞v
166 LiO+ lithium oxide cation 1ΣC∞v
167 LiS Lithium monosulfide 2ΠC∞v
168 NaO sodium monoxide 2ΣC∞v
169 NaO- sodium oxide anion 1ΣC∞v
170 NaO+ sodium oxide cation 3ΣC∞v
171 BeO beryllium oxide 1ΣC∞v
172 BeO- Beryllium monoxide anion 2ΣC∞v
173 BeO+ Beryllium monoxide cation 2ΠC∞v
174 MgO magnesium oxide 1Σ+C∞v
175 MgO- magnesium oxide anion 2ΣC∞v
176 MgO+ magnesium oxide cation 2ΠC∞v
177 CaS Calcium sulfide 1ΣC∞v
178 BO boron monoxide 2ΣC∞v
179 BO- boron monoxide anion 1ΣC∞v
180 BO+ boron monoxide cation 1ΣC∞v
181 CO Carbon monoxide 1ΣC∞v
182 CO- carbon monoxide anion 2ΠC∞v
183 CO+ carbon monoxide cation 2ΣC∞v
184 GeO Germanium monoxide 1ΣC∞v
185 SiSe Silicon Monoselenide   
186 NO Nitric oxide 2ΠC∞v
187 NO- nitric oxide anion 3ΣC∞v
188 NO- nitric oxide anion 1ΔC∞v
189 NO+ nitric oxide cation 1ΣC∞v
190 PO Phosphorus monoxide 2ΠC∞v
191 PS phosphorus sulfide 2ΣC∞v
192 O2 Oxygen diatomic 3ΣgD∞h
193 O2- oxygen diatomic anion 2ΠD∞h
194 O2+ diatomic oxygen cation 2ΠgD∞h
195 SO Sulfur monoxide 3ΣC∞v
196 S2 Sulfur diatomic 3ΣgD∞h
197 S2+ sulfur diatomic cation 2ΠD∞h
198 Se2 Selenium diatomic 3ΣgD∞h
199 LiOH lithium hydroxide 1ΣC∞v
200 NaOH sodium hydroxide 1ΣC∞v
201 BeOH beryllium monohydroxide 2A'Cs
202 MgOH magnesium hydroxide 2A'Cs
203 HBO Boron hydride oxide 1ΣC∞v
204 HCO Formyl radical 2A'Cs
205 HNO Nitrosyl hydride 1A'Cs
206 HO2 Hydroperoxy radical 2A"Cs
207 HSO+ Sulfur Monoxide, S-protonated   
208 SOH Sulfur Hydroxide   
209 SOH+ Sulfur Monoxide, protonated   
210 H2CO Formaldehyde 1A1C2v
211 H2CO+ formaldehyde cation 2B2C2v
212 H2CS Thioformaldehyde 1A1C2v
213 H2CSe Selenoformaldehyde   
214 H2O2 Hydrogen peroxide 1AC2
215 H2S2 Disulfane 1AC2
216 H2S2+ hydrogen disulfide cation 2BgC2h
217 CH2OH Hydroxymethyl radical 2AC1
218 CH2OH+ hydroxymethyl cation 1A'Cs
219 CH3O Methoxy radical 2A'C1
220 H2CSH+ Thioformaldehyde, protonated 1A'Cs
221 NH2OH hydroxylamine 1A'Cs
222 H2POH Phosphinous acid 1A1'CS trans
223 H2POH Phosphinous acid 1A1'CS cis
224 H3PO Phosphine oxide 1A1C3v
225 CH3OH Methyl alcohol 1A'Cs
226 CH3SH Methanethiol 1A'Cs
227 CH3SH2+ protonated methylsulfide 1A'Cs
228 LiF lithium fluoride 1ΣC∞v
229 LiCl lithium chloride 1ΣC∞v
230 NaF sodium fluoride 1ΣC∞v
231 NaF- sodium fluoride anion 2ΣC∞v
232 NaF+ sodium fluoride cation 2ΣC∞v
233 LiF- lithium fluoride anion 2ΣC∞v
234 LiF+ lithium fluoride cation 2ΠC∞v
235 BeF Beryllium monofluoride 2ΣC∞v
236 BeF- Beryllium monofluoride anion 1ΣC∞v
237 BeF+ Beryllium monofluoride cation 1ΣC∞v
238 MgF Magnesium monofluoride 2ΣC∞v
239 MgF- magnesium fluoride anion 1ΣC∞v
240 MgF+ magnesium fluoride cation 1ΣC∞v
241 BF Boron monofluoride 1ΣC∞v
242 BF- Boron monofluoride anion 2ΠC∞v
243 BF+ Boron monofluoride cation 2ΣC∞v
244 AlCl Aluminum monochloride 1ΣC∞v
245 CF Fluoromethylidyne 2ΠC∞v
246 CF- carbon monofluoride anion 3ΣC∞v
247 CF- carbon monofluoride anion 1ΣC∞v
248 CF+ carbon monofluoride cation 1ΣC∞v
249 SiF silicon monofluoride 2ΠC∞v
250 SiF+ silicon monofluoride cation 1ΣC∞v
251 NF nitrogen fluoride 3ΣC∞v
252 NF nitrogen fluoride 1ΣC∞v
253 NF- nitrogen monofluorine anion 2ΠC∞v
254 NF+ nitrogen monofluoirde cation 2ΠC∞v
255 NCl nitrogen monochloride 3ΣC∞v
256 FO Oxygen monofluoride 2ΠC∞v
257 FO- flourine oxide anion 1ΣC∞v
258 FO+ fluorine monoxide cation 3ΣC∞v
259 ClO Monochlorine monoxide 2ΠC∞v
260 SF Monosulfur monofluoride 2ΠC∞v
261 SF+ sulfur monofluoride cation 3ΣC∞v
262 SCl sulfur monochloride 2ΠC∞v
263 SCl+ sulfur monochloride cation 3ΣgC∞v
264 SBr Sulfur monobromide radical   
265 F2 Fluorine diatomic 1ΣgD∞h
266 F2- flourine diatomic anion 2ΣuD∞h
267 F2+ flourine diatomic cation 2ΠgD∞h
268 ClF Chlorine monofluoride 1Σ+C∞v
269 Cl2- chlorine diatomic anion 2ΣuD∞h
270 Cl2+ chlorine diatomic cation 2ΠgD∞h
271 HCF Fluoromethylene 1A'Cs
272 HOF Hypofluorous acid 1A'Cs
273 CH2Cl chloromethyl radical 2A'Cs
274 CH3F Methyl fluoride 1A1C3v
275 CH3Cl Methyl chloride 1A1C3v
276 SiH3Cl chlorosilane 1A1C1
277 C3 carbon trimer 1ΣgD∞h
278 C3H3 Propargyl radical 2B1Cs
279 CH2CCH2 allene 1A1D2d
280 CH3CCH propyne 1A'C3v
281 C3H6 Cyclopropane 1A1'D3h
282 CH2CHCH3 Propene 1A'Cs
283 C3H7 n-Propyl radical 2A"C1
284 C3H8 Propane 1A1C2v
285 Si3H8 trisilane   
286 HN3 hydrogen azide 1A'Cs
287 CH2NN diazomethane 1A1C2v
288 CH3CN Acetonitrile 1A1C3v
289 CH3NC methyl isocyanide 1A1C3v
290 NHCHNH2 aminomethanimine 1AC1
291 C2H5N Aziridine 1A'C1
292 CH3CH2NH2 Ethylamine 1A'Cs
293 CH3NHCH3 Dimethylamine 1A'Cs
294 Li2O dilithium oxide 1ΣgD∞h
295 Li2S dilithium sulfide 1ΣGD∞h
296 Li2S dilithium sulfide 1A1C2v
297 BO2 Boron dioxide 2A'D∞h
298 N2O Nitrous oxide 1ΣC∞v
299 NNS Nitrogen sulfide 1ΣC∞v
300 CO2 Carbon dioxide 1ΣgD∞h
301 OCS Carbonyl sulfide 1ΣC∞v
302 SiS2 Silicon disulfide 1ΣGD∞h
303 NO2 Nitrogen dioxide 2A1C2v
304 NSO sulfinyl amidogen   
305 SNO Nitrogen oxide sulfide   
306 O3 Ozone 1A1Cs
307 SO2 Sulfur dioxide 1A1C2v
308 S3 Sulfur trimer   
309 S3+ Sulfur trimer cation 2B2C2v
310 HCCO ketenyl radical 2A"Cs
311 HCNO fulminic acid 1ΣC∞v
312 HNCO Isocyanic acid 1A'Cs
313 HOCN cyanic acid 1A'Cs
314 HCO2- formate anion 1A1C2v
315 HOCO Hydrocarboxyl radical 1A'cis
316 HOCO Hydrocarboxyl radical 1A'trans
317 HNO2 Nitrous acid 1A'Cs
318 CH2CO Ketene 1A1C2v
319 HCCOH ethynol 1A'Cs
320 CH2CS Thioketene   
321 CH2O2 Dioxirane 1A1C2v
322 HCOOH Formic acid 1A'Cs
323 HSSSH trisulfane 1AC2
324 HSSSH trisulfane 1A'Cs
325 CH3CO Acetyl radical 2A'Cs
326 CHONH2 formamide 1A'Planar
327 CH3OO methylperoxy radical 2A"Cs
328 C2H4O Ethylene oxide 1A1C2v
329 CH2CHOH ethenol 1A'Cs
330 CH3CHO Acetaldehyde 1A'Cs
331 C2H4S Thiirane 1A1C2v
332 CH3CHS Thioacetaldehyde 1A'C1
333 CH3OOH Methyl peroxide 1AC1
334 CH3SSH Hydrogen methyl disulfide   
335 CH3CH2OH Ethanol 1A'Cs
336 CH3OCH3 Dimethyl ether 1A1C2v
337 CH3CH2SH ethanethiol 1A'Cs
338 FCN Cyanogen fluoride 1ΣC∞v
339 FNO Nitrosyl fluoride 1A'Cs
340 FNS Thionitrosyl fluoride 1A'Cs
341 FSN Thiazyl fluoride 1A'Cs
342 OPCl Phosphorus oxychloride   
343 CF2 Difluoromethylene 1A1D∞h
344 GeCl2 Germanium dichloride 1A1C2v
345 FOO Dioxygen monofluoride radical 2A"Cs
346 OClO Chlorine dioxide 2B1D∞h
347 ClSO Sulfur chloride oxide 2A"Cs
348 NF2 Difluoroamino radical 2B1C2v
349 FClO chlorosyl fluoride 1A'Cs
350 F2O Difluorine monoxide 1A1C2v
351 ClOF Chlorine hypofluorite 1A'Cs
352 SF2 sulfur difluoride 1A1C2v
353 SCl2 Sulfur dichloride 1A1C2v
354 SeCl2 Selenium Dichloride   
355 SBr2 Sulfur dibromide   
356 SeBr2 Selenium dibromide   
357 HCCF Fluoroacetylene 1ΣC∞v
358 HFCO formyl fluoride 1A'Cs
359 BHF2 Difluoroborane 1A1C2v
360 CH2F2 Methane, difluoro- 1A1C2v
361 CH2Cl2 Methylene chloride 1A1C2v
362 CH2CHF Ethene, fluoro- 1A'Cs
363 C2H5F fluoroethane 1A'Cs
364 C4 Carbon tetramer 3ΣgD∞h
365 C4H2 Diacetylene 1ΣgD∞h
366 C2H3CCH 1-Buten-3-yne 1A'C1
367 H2CCCCH2 Butatriene 1AgD2h
368 C4H6 1-Methylcyclopropene 1AC1
369 C4H6 Cyclobutene 1A1C2v
370 C4H6 Methylenecyclopropane 1A1C2v
371 CH2CCHCH3 1,2-Butadiene 1A'C1
372 CH2CHCHCH2 1,3-Butadiene 1AgC2h
373 CH3CCCH3 2-Butyne 1A1'D3h
374 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
375 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
376 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
377 C(CH3)3 Tert-butyl radical 2A"C3v
378 CH2CH(CH3)2 Isobutyl radical 2A'C1
379 CH3CHCH2CH3 2-Butyl radical 1AC1
380 CH3CH(CH3)CH3 Isobutane 1A1C3v
381 CH3CH2CH2CH3 Butane 1AgAnti
382 C2N2 Cyanogen 1ΣgD∞h
383 HCCCN Cyanoacetylene 1ΣC∞v
384 C3H3N acrylonitrile 1A'Cs
385 C3H7N Cyclopropylamine 1A'C1
386 C4H8 cyclobutane 1A1D2d
387 C2H8N2 Ethylenediamine 1AgC2h
388 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
389 N(CH3)3 Trimethylamine 1A1C3v
390 B2O2 Diboron dioxide 1ΣgD∞h
391 S2N2 Disulfur dinitride 1AGD2h
392 CO3-- carbonate 1A1'D3h
393 CS3-- Carbonotrithioate   
394 NO3 Nitrogen trioxide 2A1'all bonds equal
395 SO3 Sulfur trioxide 1A1'D3h
396 S4 Sulfur tetramer   
397 S4 Sulfur tetramer   
398 S4 Sulfur tetramer   
399 HNO3 Nitric acid 1A'Cs
400 C2H2O2 Ethanedial 1AgC2h
401 CH3COO- acetate anion 1A'eclipsed
402 CH3NO2 Methane, nitro- 1A'Cs
403 CH3ONO Methyl nitrite 1A'C1
404 H3AlO3 Aluminum hydroxide   
405 C3H4O allenol 1A'Cs
406 C3H4O Cyclopropanone 1A1C2v
407 CH2CHCHO Acrolein 1A'Cs
408 NH2CONH2 Urea 1AC2
409 CH3COOH Acetic acid 1A'Cs
410 CH3OCHO methyl formate 1A'Cs
411 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
412 CH3CHNOH Acetaldoxime 1A'CS trans
413 CH3CONH2 Acetamide 1A'C1
414 CH3CSNH2 Ethanethioamide   
415 C3H6O Propylene oxide 1AC1
416 CH3CH2CHO Propanal 1A'Cs
417 CH3COCH3 Acetone 1A1C2v
418 C2H6O2 1,2-Ethanediol 1AgC2h
419 C3H7OH 1-Propanol 1A'Cs
420 CH3CHOHCH3 Isopropyl alcohol 1AC1
421 CH3OC2H5 Ethane, methoxy- 1A'Cs
422 C2F2 difluoroacetylene 1ΣgD∞h
423 N2F2 (Z)-Difluorodiazene 1A1C2v
424 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
425 CF2O Carbonic difluoride 1A1C2v
426 Cl2CS Thiophosgene 1A1C2v
427 BF3 Borane, trifluoro- 1A'D3h
428 AlF3 Aluminum trifluoride 1A1'D3h
429 CF3 Trifluoromethyl radical 2A1C3v
430 ClO2F Chloryl fluoride 1A'Cs
431 F2SO Thionyl Fluoride 1A'Cs
432 FSSF Difluorodisulfane 1AC2
433 S2F2 Thio-thionyl fluoride 1A'Cs
434 SSCl2 Thiothionyl chloride   
435 NF3 Nitrogen trifluoride 1A1C3v
436 SF3 Sulfur trifluoride 2A'Cs
437 ClF3 Chlorine trifluoride 1A1'D3h
438 ClF3 Chlorine trifluoride 1A1C2v
439 HClO3 Chloric Acid 1AC1
440 CHF3 Methane, trifluoro- 1A1C3v
441 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
442 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
443 CH3COF Acetyl fluoride 1A'NULL
444 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
445 C5H5- cylopentadienyl anion 1A1'D5h
446 C5H6 1,3-Cyclopentadiene 1A1C2v
447 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
448 C5H6 3-Penten-1-yne, (E)- 1A'Cs
449 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
450 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
451 C5H6 Cyclopropylacetylene 1A'C1
452 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
453 C5H8 1,2-Pentadiene 1A'C1
454 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
455 C5H8 1,3-Pentadiene, (E)- 1A'C1
456 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
457 C5H8 1,4-Pentadiene 1AC2
458 C5H8 2,3-Pentadiene 1AC1
459 C5H8 Cyclobutane, methylene- 1A'Cs
460 C5H8 Cyclopentene 1A'Cs
461 C5H10 1-Butene, 2-methyl- 1AC1
462 C5H10 2-Butene, 2-methyl- 1A'Cs
463 C5H10 2-Pentene, (E)- 1A'Cs
464 C5H10 2-Pentene, (Z)- 1AC1
465 C5H10 Cyclopentane 1AC1
466 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
467 CH2CHCH2CH2CH3 1-pentene 1AC1
468 C5H11 2-Methylbut-2-yl radical 1AC1
469 C5H12 Butane, 2-methyl- 1AC1
470 C5H12 Pentane 1A1C2v
471 C5H12 Propane, 2,2-dimethyl- 1A1Td
472 N2O3 Dinitrogen trioxide 1A'Cs
473 C3H2N2 Malononitrile 1A1Cs
474 C3H4N2 1H-Imidazole 1A'Cs
475 C3H4N2 1H-Pyrazole 1A'Cs
476 C4H5N (E)-2-Butenenitrile 1A'Cs
477 C4H5N (Z)-2-Butenenitrile 1A'Cs
478 C4H5N Cyclopropanecarbonitrile 1A'Cs
479 C4H5N Pyrrole 1A1C2v
480 C3H6N2 3-Aminopropionitrile 1A'Cs
481 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
482 C5H8 Spiropentane 1A1D2d
483 C4H9N Cyclobutylamine 1A'Cs
484 C4H9N Pyrrolidine 1A'Cs
485 C3H10N2 1,2-Diaminopropane 1AC1
486 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
487 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
488 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
489 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
490 C3O2 Carbon suboxide 1A1C2v
491 C3H3NO Isoxazole 1A'Cs
492 CH3NO3 Methyl nitrate 1A'Cs
493 C4H4O Furan 1A1C2
494 C3H4O2 β–Propiolactone 1A'Cs
495 C3H4O2 2-Propenoic acid 1A'Cs
496 C3H4O2 propanedial 1AC1
497 C3H4O2 propenalol 1A'Cs
498 CH2CHCONH2 Acrylamide 1ACs
499 CH3OCH2CN Methoxyacetonitrile 1AC1
500 H2NCH2COOH Glycine 1A'Cs
501 C4H6O cis-2-butenal 1ACs
502 C4H6O Cyclobutanone 1A1C2v
503 C4H6O Furan, 2,3-dihydro- 1AC1
504 C4H6O Furan, 2,5-dihydro- 1A1Cs
505 CH2CHOCHCH2 Vinyl ether 1A1C2v
506 CHOCHCHCH3 2-Butenal 1A'Cs
507 C2H6N2O Urea, methyl- 1AC1
508 C3H6O2 1,3-Dioxolane 1AC1
509 CH3COOCH3 methyl acetate 1A'Cs
510 C2H6O2S Dimethyl sulfone 1A1C2v
511 C3H7NO Propanamide 1A'C1
512 C2H3OC2H5 Ethene, ethoxy- 1AC1
513 C4H8O Cyclobutanol 1A'C1
514 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
515 CH3COCH2CH3 2-Butanone 1AC1
516 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
517 CHOCH2CH2CH3 Butanal 1A'Cs
518 C3H8O2 1,3-Propanediol 1A1C1
519 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
520 C3H8O2 Propylene glycol 1AC1
521 C4H10O 1-Propanol, 2-methyl- 1AC1
522 C4H10O 2-Butanol, (.+/-.)- 1AC1
523 C4H10O Ethanol, 1,1-dimethyl- 1AC1
524 C4H10O Ethoxy ethane 1A1C2v
525 C4H10O Propane, 2-methoxy- 1A'Cs
526 FNO3 Fluorine nitrate 1A'Cs
527 BF4- tetrafluoroboron anion 1A1Td
528 F3NO Nitrogen trifluoride oxide 1A1C3v
529 CF4 Carbon tetrafluoride 1A1Td
530 CF2Cl2 difluorodichloromethane 1A1C2v
531 SF4 Sulfur tetrafluoride 1A1C2v
532 C2HF3 Trifluoroethylene 1A'Cs
533 HClO4 perchloric acid 1ACs
534 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
535 SiH3CCl3 (trichloromethyl)silane 1A1C3v
536 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
537 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
538 C6H5 phenyl 2A1C2v
539 C6H6 2,4-Hexadiyne 1A1'D3h
540 C6H6 Benzene 1A1gD6h
541 C6H8 (E)-hexa-1,3,5-triene 1AgCs
542 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
543 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
544 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
545 C6H8 1,4-Cyclohexadiene 1AgC2v
546 C6H8 3-Methylenecyclopentene 1AC1
547 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
548 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
549 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
550 C6H10 1,3-Hexadiene, (E)- 1A'Cs
551 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
552 C6H10 1,4-Hexadiene, (E)- 1AC1
553 C6H10 1,4-Hexadiene, (Z)- 1AC1
554 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
555 C6H10 1-Hexyne 1A'Cs
556 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
557 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
558 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
559 C6H10 2-Hexyne 1A'C1
560 C6H10 cyclohexene 1AC2
561 C6H10 Cyclopentene, 1-methyl- 1AC1
562 C6H10 Cyclopentene, 3-methyl- 1AC1
563 C6H10 Cyclopentene, 4-methyl- 1AC1
564 C6H12 (E)-3-methylpent-2-ene 1AC1
565 C6H12 (Z)-3-methylpent-2-ene 1AC1
566 C6H12 3-methylenepentane 1AC1
567 C6H12 Cyclohexane 1A1gChair
568 C6H12 Cyclopentane, methyl- 1AC1
569 C6H12 Ethylcyclobutane 1AC1
570 C6H12 hex-1-ene 1A'Cs
571 C6H14 Butane, 2,2-dimethyl- 1A'C1
572 C6H14 Butane, 2,3-dimethyl- 1AgC2h
573 C6H14 Hexane 1AgC2h
574 C6H14 Pentane, 2-methyl- 1AC1
575 C6H14 Pentane, 3-methyl- 1A'Cs
576 C4N2 2-Butynedinitrile 1ΣgD∞h
577 C3H3N3 1,3,5-Triazine 1A1'D3h
578 CH3N5 5-Aminotetrazole 1AC1
579 C4H4N2 1,3-Diazine 1A1C2v
580 C4H4N2 Pyrazine 1AgD2h
581 C4H4N2 Pyridazine 1A1C2v
582 C4H4N2 Succinonitrile 1AgC2h
583 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
584 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
585 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
586 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
587 C5H5N Pyridine 1A1C2v
588 C6H6 Fulvene 1A1C2v
589 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
590 C5H7N (E)-2-Pentenenitrile 1A'Cs
591 C5H7N (E)-3-Pentenenitrile 1AC1
592 C5H7N (Z)-2-Pentenenitrile 1AC1
593 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
594 C5H7N Cyclobutanecarbonitrile 1A'Cs
595 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
596 C5H9N Butanenitrile, 2-methyl- 1AC1
597 C5H9N Pentanenitrile 1A'Cs
598 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
599 C5H11N Cyclopentanamine 1A'Cs
600 C5H11N Piperidine 1A'NH axial
601 C4H12N2 1,2-Butanediamine 1AC1
602 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
603 N2O4 Dinitrogen tetroxide 1AgD2d
604 C2H3NO3 Oxamic acid 1A'H out
605 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
606 C2H4N2O2 Oxalamide 1AgC2h
607 C4H5NO 3-Methylisoxazole 1AC1
608 C4H5NO Isoxazole, 5-methyl- 1AC1
609 C4H6O2 2-Propenoic acid, methyl ester 1AC1
610 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
611 C2H6N2O2 Dimethylnitroamine 1AC1
612 C3H6O3 1,3,5-Trioxane 1A1C1
613 C4H7NO 2-Pyrrolidinone 1AC1
614 C4H7NO Methacrylamide 1AC1
615 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
616 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
617 CH3CH(NH2)COOH Alanine 1AC1
618 CH3NHCH2COOH Sarcosine 1AC1
619 NH2CH2CH2COOH β–alanine 1AC1
620 NH2COOC2H5 Urethane 1AC1
621 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
622 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
623 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
624 NH2CONHC2H5 Urea, ethyl- 1AC1
625 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
626 C4H8O2 1,4-Dioxane 1AgC2h
627 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
628 C3H8O3 1,2,3-Propanetriol 1AC1
629 C4H9NO Butanamide 1AC1
630 C4H9NO Propanamide, 2-methyl- 1AC1
631 C5H10O 2-Butanone, 3-methyl- 1AC1
632 C5H10O 2H-Pyran, tetrahydro- 1A'C1
633 C5H10O 2-Pentanone 1AC1
634 C5H10O 3-Pentanone 1A1C2v
635 C5H10O Cyclopentanol 1AC1
636 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
637 C5H10O Pentanal 1A'C1
638 C4H10O2 1,1-Dimethoxyethane 1A'Cs
639 C4H10O2 1,3-Butanediol 1AC1
640 C4H10O2 1,4-Butanediol 1AgC2h
641 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
642 C4H11NO Diethylhydroxylamine 1A'Cs
643 C5H12O 1-Butanol, 2-methyl- 1AC1
644 C5H12O 1-Butanol, 3-methyl- 1A'Cs
645 C5H12O 1-Pentanol 1A'Cs
646 C5H12O 2-Butanol, 3-methyl- 1AC1
647 C5H12O 2-Pentanol 1AC1
648 C5H12O 3-Pentanol 1AC1
649 C5H12O Butane, 1-methoxy- 1A'Cs
650 C5H12O Propane, 1-ethoxy- 1A'Cs
651 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
652 CF3CN Acetonitrile, trifluoro- 1A1C3v
653 B2F4 Diboron tetrafluoride 1A1D2d
654 B2Cl4 Diboron tetrachloride 1A1D2
655 C2F4 Tetrafluoroethylene 1AgD2h
656 CF3OF Trifluoromethylhypofluorite 1A'Cs
657 SiF5- silicon pentafluoride anion   
658 SOF4 Sulfur tetrafluoride oxide 1A1C2v
659 PF5 Phosphorus pentafluoride 1A1'D3h
660 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
661 C6H5CH2 benzyl radical 2B1Cs
662 C6H5CH3 toluene 1A'Cs
663 C7H12 Norbornane 1A1C2v
664 C7H16 2-methylhexane 1AC1
665 C7H16 heptane 1A1C2v
666 C6H5NH2 aniline 1A'Cs
667 C6H5OH phenol 1A'Cs
668 C6H10O cyclohexanone 1A'Cs
669 PF6- Hexafluorophosphate ion 1A1GOh
670 SF5Cl sulfur chloropentafluoride 1A1C4v
671 C6H5F Fluorobenzene 1A1C2v
672 C6H5CCH phenylacetylene 1A1C2v
673 C6H5CHCH2 Styrene 1A'Cs
674 C8H8 cubane 1A1GOh
675 C8H8 cyclooctatetraene 1A1D2d
676 C6H5CH2CH3 Ethylbenzene 1A'Cs
677 C6H5CN phenyl cyanide 1A1C2v
678 C6H5CHO benzaldehyde 1A'Cs
679 C6H5OCH3 Anisole 1A'Cs
680 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
681 C2F6 hexafluoroethane 1A1gD3d
682 C6H5NO2 Nitrobenzene 1A1C2v
683 C6H5COOH benzoic acid 1A'Cs
684 C10H8 naphthalene 1AgD2h
685 C10H16 adamantane 1A1Td
686 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 He- Helium atom anion he-  
6 He+ Helium atom cation he+  
7 HeH Helium hydride heh  
8 Li- Lithium atom anion li-  
9 Li+ Lithium atom cation li+  
10 Na- Sodium atom anion na-  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 KH Potassium hydride kh  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Be- Beryllium atom anion be-  
21 Be+ Beryllium atom cation be+  
22 Mg- Magnesium atom anion mg-  
23 Mg+ Magnesium atom cation mg+  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 CaH Calcium monohydride cah  
31 CaH+ Calcium monohydride cation cah+  
32 TiH Titanium monohydride tih  
33 ZnH Zinc monohydride znh  
34 ZnH+ Zinc, protonated znh+  
35 BeH2+ Beryllium dihydride cation beh2+  
36 CaH2 Calcium Hydride cah2  
37 ZnH2 Zinc hydride znh2  
38 B- Boron atom anion b-  
39 B+ Boron atom cation b+  
40 Al Aluminum atom al  
41 Al- Aluminum atom anion al-  
42 Al+ Aluminum atom cation al+  
43 Sc Scandium atom sc  
44 Sc+ Scandium cation sc+  
45 Ga Gallium atom ga  
46 Ga- Gallium atom anion ga-  
47 Ga+ Gallium atom cation ga+  
48 AlH- aluminum monohydride anion alh-  
49 AlH+ aluminum monohydride cation alh+  
50 ScH Scandium monohydride sch  
51 ScH+ Scandium monohydride cation sch+  
52 GaH Gallium monohydride gah  
53 GaH+ Gallium monohydride cation gah+  
54 BH2- boron dihydride anion bh2-  
55 BH2+ Boron dihydride cation bh2+  
56 AlH2 aluminum dihydride alh2  
57 AlH2- aluminum dihydride anion alh2-  
58 AlH2+ aluminum dihydride cation alh2+  
59 BH3- boron trihydride anion bh3-  
60 AlH3 aluminum trihydride alh3  
61 AlH3- aluminum trihydride anion alh3-  
62 AlH3+ aluminum trihydride cation alh3+  
63 ScH3 Scandium trihydride sch3  
64 GaH3 Gallium trihydride gah3  
65 BH4 borohydride bh4  
66 AlH4- Aluminum tetrahydride anion alh4-  
67 C- Carbon atom anion c-  
68 C+ Carbon atom cation c+  
69 Si- Silicon atom anion si-  
70 Si+ Silicon atom cation si+  
71 Ti Titanium atom ti  
72 Ti- Titanium atom anion ti-  
73 Ti+ Titanium atom cation ti+  
74 Ge Germanium atom ge  
75 Ge- Germanium anion ge-  
76 Ge+ Germanium cation ge+  
77 Sn Tin atom sn  
78 Sn+ Tin cation sn+  
79 SiH Silylidyne sih  
80 SiH- silicon monohydride anion sih-  
81 SiH+ silicon monohydride cation sih+  
82 GeH germylidene geh  
83 GeH+ Germaniun monohyrdide cation geh+  
84 SiH2- silicon dihydride anion sih2-  
85 SiH2+ silicon dihydride cation sih2+  
86 GeH2 germylene geh2  
87 GeH2- germylene anion geh2-  
88 CH3+ methyl cation ch3+  
89 SiH3- Silyl anion sih3-  
90 SiH3+ Silyl cation sih3+  
91 GeH3 Germyl radical geh3  
92 GeH3+ germyl cation geh3+  
93 CD4 methane-d4 cd4  
94 CH2D2 methane-d2 ch2d2  
95 CH3D methane-d ch3d  
96 CH4- Methane anion ch4-  
97 CHD3 methane-d3 chd3  
98 SiH2D2 silane-d2 sih2d2  
99 SiH4+ Silane cation sih4+  
100 GeH4 Germane geh4  
101 SnH4 Stannane snh4  
102 SiH5+ Silane, protonated sih5+  
103 N Nitrogen atom n  
104 N- Nitrogen atom anion n-  
105 N+ Nitrogen atom cation n+  
106 P- Phosphorus atom anion p-  
107 P+ Phosphorus atom cation p+  
108 V Vanadium atom v  
109 V+ Vanadium atom cation v+  
110 As Arsenic atomic as  
111 As- Arsenic anion as-  
112 As+ Arsenic cation as+  
113 Sb Antimony atom sb  
114 PH phosphorus monohydride ph  
115 PH- phosphorus monohydride anion ph-  
116 PH+ phosphorus monohydride cation ph+  
117 AsH Arsenic monohydride ash  
118 AsH+ Arsenic monohydride cation ash+  
119 SbH Antimony monohydride sbh  
120 NH2+ Amino cation nh2+  
121 PH2 Phosphino radical ph2  
122 PH2- Phosphino anion ph2-  
123 PH2+ Phosphino cation ph2+  
124 AsH2 Arsenic dihydride ash2  
125 AsH2+ Arsenic dihydride cation ash2+  
126 NH3- Ammonia anion nh3-  
127 PH3+ Phosphine cation ph3+  
128 AsH3 Arsine ash3  
129 AsH3+ Arsine cation ash3+  
130 SbH3 Stibine sbh3  
131 AsH4+ Arsonium ash4+  
132 NH4 Ammonium radical nh4  
133 PH4 Phosphoranyl radical ph4  
134 O- Oxygen atom anion o-  
135 O+ Oxygen atom cation o+  
136 S- Sulfur atom anion s-  
137 S+ Sulfur atom cation s+  
138 Cr Chromium atom cr  
139 Se Selenium atom se  
140 Se- Selenium atom anion se-  
141 Se+ Selenium atom cation se+  
142 Te Tellurium atom te  
143 Te+ Tellurium atom cation te+  
144 DS Mercapto-d ds  
145 HS- mercapto anion sh-  
146 HS+ sulfur monohydride cation sh+  
147 CrH Chromium hydride crh  
148 CrH+ Chromium hydride cation crh+  
149 HSe Selenium monohydride hse  
150 HSe- selenium monohydride anion hse-  
151 HSe+ selenium monohydride cation hse+  
152 TeH Telluryl radical teh  
153 D2S Hydrogen sulfide-d2 d2s  
154 H2S- Hydrogen sulfide anion h2s-  
155 H2Se Hydrogen selenide h2se  
156 H2Se+ Hydrogen selenide cation h2se+  
157 H2Te Hydrogen Telluride h2te  
158 H3Se+ Hydrogen Selenide, protonated h3se+  
159 F- Fluorine atom anion f-  
160 F+ Fluorine atom cation f+  
161 Cl- Chlorine atom anion cl-  
162 Cl+ Chlorine atom cation cl+  
163 Mn Manganese atom mn  
164 Br Bromine atom br  
165 Br- Bromine atom anion br-  
166 Br+ Bromine atom cation br+  
167 I Iodine atom iodine  
168 I- Iodine atom anion iodine-  
169 I+ Iodine atom cation iodine+  
170 DCl Hydrochloric acid-d dcl  
171 HCl- hydrogen chloride anion hcl-  
172 HBr hydrogen bromide hbr  
173 HBr- hydrogen bromide anion hbr-  
174 HBr+ hydrogen bromide cation hbr+  
175 HI Hydrogen iodide hi  
176 HI+ Hydrogen iodide cation hi+  
177 H2Br+ protonated hydrogen bromide h2br+  
178 H2I+ Iodonium h2i+  
179 Ne- Neon atom anion ne-  
180 Ne+ Neon atom cation ne+  
181 Ar Argon atom ar  
182 Ar- Argon atom anion ar-  
183 Ar+ Argon atom cation ar+  
184 Fe Iron atom fe  
185 Kr Krypton atom kr  
186 Kr+ Krypton cation kr+  
187 Xe Xenon atom xe  
188 HeLi+ Helium Lithium cation heli+  
189 NeH neon hydrogen neh  
190 ArH+ Argon hydride cation arh+  
191 KrH+ Protonated Krypton krh+  
192 XeH+ Xenon, protonated xeh+  
193 H2Ar H2 Ar dimer h2ar  
194 Co Cobalt atom cobalt  
195 Ni Nickel atom ni  
196 LiK Lithium Potassium lik  
197 NaK Sodium Potassium nak  
198 NaK+ Sodium Potassium diatomic cation nak+  
199 K2 Potassium diatomic k2  
200 Cu2 Copper diatomic cu2  
201 LiBe Lithium Beryllium libe  
202 LiMg Lithium magnesium limg  
203 NaBe Sodium Beryllium nabe  
204 NaMg Sodium Magnesium namg  
205 Be2 Beryllium diatomic be2  
206 BeMg Beryllium Magnesium bemg  
207 Ca2 Calcium diatomic ca2  
208 LiB Lithium boride lib  
209 LiAl Lithium Aluminum lial  
210 NaAl Sodium aluminum naal  
211 BeB Beryllium monoboride beb  
212 B2+ Boron diatomic cation b2+  
213 Al2 Aluminum diatomic al2  
214 Al2- aluminum diatomic anion al2-  
215 Al2+ aluminum diatomic cation al2+  
216 BGa Boron Gallium bga  
217 AlGa Aluminum Gallium alga  
218 Ga2 Gallium diatomic ga2  
219 HBBH Diborane(2) hbbh  
220 LiBH4 Lithium borohydride libh4  
221 B2H4 Diborane(4) D2d b2h4  
222 HBHHBH Diborane(4) C2V hbhhbh  
223 B2H6+ Diborane cation b2h6  
224 Al2H6 dialane al2h6  
225 Ga2H6 digallane ga2h6  
226 LiC Lithium Carbide lic  
227 BeC Beryllium Carbide bec  
228 CaC Calcium monocarbide cac  
229 BC boron monocarbide bc  
230 BSi Boron silicide bsi  
231 C2+ carbon diatomic cation c2+  
232 SiC- silicon monocarbide anion sic-  
233 SiC+ silicon monocarbide cation sic+  
234 Si2 Silicon diatomic si2  
235 Si2- silcon diatomic anion si2-  
236 Si2+ silcon diatomic cation si2+  
237 GeC Germanium monocarbide gec  
238 SiGe Silicon Germanium sige  
239 Ge2 Germanium diatomic ge2  
240 ZnCH2 Zinc methylene znch2  
241 H2CC- vinylidene anion h2cc-  
242 HCCH- acetylene anion c2h2-  
243 Si2H2 disilyne si2h2  
244 CuCH3 monomethyl copper cuch3  
245 ZnCH3 Zinc monomethyl znch3  
246 CH2BH methyleneborane ch2bh  
247 C2H3- vinyl anion c2h3-  
248 CH2SiH2 silaethylene ch2sih2  
249 Si2H4 Disilene si2h4  
250 CH3BH2 methylborane ch3bh2  
251 C2H5- Ethyl anion c2h5-  
252 C2H5+ Ethyl cation c2h5+  
253 C2H6+ ethane cation c2h6+  
254 CH3SiH3 methyl silane ch3sih3  
255 GeH3CH3 methyl germane geh3ch3  
256 C2H7+ Ethane, protonated c2h7+  
257 LiP Lithium monophosphide lip  
258 BeN Beryllium mononitride ben  
259 BeN+ Beryllium mononitride cation ben+  
260 MgN Magnesium Nitride mgn  
261 AlN- aluminum mononitride anion aln-  
262 AlN+ aluminum mononitride cation aln+  
263 BP Boron monophosphide bp  
264 AlP Aluminum monophosphide alp  
265 GaN Gallium mononitride gan  
266 GaP Gallium monophosphide gap  
267 GaAs Gallium arsenide gaas  
268 CP Carbon monophosphide cp  
269 CP- carbon monophosphide anion cp-  
270 CP+ carbon monophosphide cation cp+  
271 SiN Silicon nitride sin  
272 SiN- silicon mononitride anion sin-  
273 SiN+ silicon mononitride cation sin+  
274 SiP- Silicon monophosphide anion sip-  
275 SiP+ Silicon monophosphide cation sip+  
276 TiN Titanium mononitride tin  
277 PN Phosphorus mononitride pn  
278 PN- phosphorus nitride anion pn-  
279 PN+ phosphorus nitride cation pn+  
280 P2- phosphorus diatomic anion p2-  
281 P2+ phosphorus diatomic cation p2+  
282 AsN Arsenic mononitride asn  
283 AsP Arsenic monophosphide asp  
284 SbN Antimony nitride sbn  
285 As2 Arsenic diatomic as2  
286 HCN- Hydrogen cyanide anion hcn-  
287 HNC+ hydrogen isocyanide cation hnc+  
288 HCP Phosphaethyne hcp  
289 HCP+ Phosphaethyne cation hcp+  
290 NNH+ Dinitrogen monohydride cation nnh+  
291 HPO Hydrogen phosphorus oxide hpo  
292 HPO+ Hydrogen phosphorus oxide cation hpo+  
293 LiNH2 lithium amide linh2  
294 HBNH Boranimine hbnh  
295 CNH2 Aminomethylidyne radical cnh2  
296 CNH2+ N-protonated hydrogen isocyanide cnh2+  
297 H2CN Dihydrogen cyanide radical h2cn  
298 H2CN+ hydrocyanonium cation h2cn+  
299 HCNH methyleneazane hcnh  
300 HCNH+ N-protonated HCN hcnh+  
301 H2NN Isodiazene h2nn  
302 N2H2 (Z)-Diazene n2h2z  
303 N2H2+ trans-diazene cation n2h2+  
304 CH2NH+ Methanimine cation ch2nh+  
305 CHNH2 aminomethylene chnh2  
306 CHNH2+ Aminocarbene cation chnh2+  
307 BH2NH2 Boranamine bh2nh2  
308 N2H4+ hydrazine cation n2h4+  
309 P2H4 Diphosphine p2h4  
310 CH3NH2+ methyl amine cation ch3nh2+  
311 CH3PH2 Methyl phosphine ch3ph2  
312 SiH3NH2 Silane, amino sih3nh2  
313 N2H5+ protonated hydrazine n2h5+  
314 CH3NH3 methyl ammonium radical ch3nh3  
315 CH3PH3+ methyl phosphine, protonated ch3ph3+  
316 NH3NH3 Ammonia Dimer nh3nh3  
317 N2H7+ ammonia ammonium dimer n2h7+  
318 LiS+ Lithium sulfide cation lis+  
319 KO Potassium monoxide ko  
320 KO+ Potassium monoxide cation ko+  
321 NaS Sodium sulfide nas  
322 CuO Copper Monoxide cuo  
323 LiSe Lithium monoselenide lise  
324 BeS beryllium sulfide bes  
325 CaO Calcium monoxide cao  
326 MgS magnesium sulfide mgs  
327 MgS- magnesium sulfide anion mgs-  
328 MgS+ magnesium sulfide cation mgs+  
329 ZnO zinc monoxide zno  
330 ZnS Zinc sulfide zns  
331 BeS- Beryllium monosulfide anion bes-  
332 BeS+ Beryllium monosulfide cation bes+  
333 AlO Aluminum monoxide alo  
334 AlO- Aluminum monoxide anion alo-  
335 AlO+ aluminum monoxide cation alo+  
336 BS boron sulfide bs  
337 BS- boron monosulfide anion bs-  
338 BS+ boron monosulfide cation bs+  
339 AlS Aluminum sulfide als  
340 AlS- aluminum monosulfide anion als-  
341 AlS+ aluminum monosulfide cation als+  
342 ScO Scandium monoxide sco  
343 GaO Gallium monoxide gao  
344 GaS Gallium monosulfide gas  
345 CS carbon monosulfide cs  
346 CS- carbon monosulfide anion cs-  
347 CS+ carbon monosulfide cation cs+  
348 SiO Silicon monoxide sio  
349 SiO- silicon monoxide anion sio-  
350 SiO+ silicon monoxide cation sio+  
351 SiS silicon monosulfide sis  
352 SiS- silicon monosulfide anion sis-  
353 SiS+ silicon monosulfide cation sis+  
354 TiO Titanium monoxide tio  
355 CSe Carbon monoselenide cse  
356 CSe- Carbon monoselenide anion cse-  
357 CSe+ Carbon monoselenide cation cse+  
358 GeO+ Germanium monoxide cation geo+  
359 GeS Germanium monosulfide ges  
360 SiSe+ Silicon Monoselenide cation sise+  
361 GeSe Germanium monoselenide gese  
362 NS Mononitrogen monosulfide ns  
363 NS- nitrogen sulfide anion ns-  
364 NS+ nitrogen sulfide cation ns+  
365 PO- phosphorus monoxide anion po-  
366 PO+ phosphorus monoxide cation po+  
367 PS- phosphorus monosulfide anion ps-  
368 PS+ phosphorus monosulfide cation ps+  
369 VO Vanadium monoxide vo  
370 AsO Arsenic monoxide aso  
371 NSe Nitrogen monoselenide nse  
372 AsS Arsenic monosulfide ass  
373 PSe Phosphorus monoselenide pse  
374 AsSe Arsenic monoselenide asse  
375 O2-- dioxygen dianion o2--  
376 SO- sulfur monoxide anion so-  
377 SO+ sulfur monoxide cation so+  
378 S2- sulfur diatomic anion s2-  
379 SeO Selenium monoxide seo  
380 SeO- selenium monoxide anion seo-  
381 SeO+ selenium monoxide cation seo+  
382 SeS Selenium monosulfide ses  
383 SeS- selenium monosulfide anion ses-  
384 SeS+ selenium monosulfide cation ses+  
385 TeO Tellurium monoxide teo  
386 Se2- selenium diatomic anion se2-  
387 Se2+ selenium diatomic cation se2+  
388 Te2 Tellurium diatomic te2  
389 KOH Potassium hydroxide koh  
390 CaOH Calcium monohydroxide caoh  
391 HBS hydrogen boron sulfide hbs  
392 COH Hydroxymethylidyne coh  
393 COH+ Carbon Monoxide, protonated coh+  
394 HCO- formyl anion hco-  
395 HCS Thioformyl radical hcs  
396 HCS- Thioformyl anion hcs-  
397 HCS+ Thioformyl cation hcs+  
398 NOH Hydroxyimidogen noh  
399 NOH+ O-protonated nitric oxide noh+  
400 HNS Sulfur imide hns  
401 HNS- Sulfur imide anion hns-  
402 HO2+ Hydroperoxy cation ho2+  
403 HS2 Thiosulfeno radical hs2  
404 H2CO- formaldehyde anion h2co-  
405 HOCH hydroxycarbene hoch  
406 H2CS- thioformaldehyde anion h2cs-  
407 H2CS+ thioformaldehyde cation h2cs+  
408 H2NO nitroxide h2no  
409 H2O2+ Hydrogen peroxide cation h2o2+  
410 H2OO water oxide h2oo  
411 HOSH hydrogen thioperoxide hosh  
412 H2Se2 hydrogen diselenide h2se2  
413 CH3O- methoxy anion ch3o-  
414 CH3O+ Methoxy cation ch3o+  
415 CH3S thiomethoxy ch3s  
416 NH2OH+ Hydroxylamine cation nh2oh+  
417 NH3O Ammonia Oxide nh3o  
418 NH2SH Thiohydroxylamine nh2sh  
419 NH3S sulfidoazane nh3s  
420 H3O2+ hydrogen peroxide, protonated h3o2+  
421 CH3OH- Methyl alcohol anion ch3oh-  
422 CH3OH+ Methyl alcohol cation ch3oh+  
423 CH3SH+ Methanethiol cation ch3sh+  
424 SiH3OH silanol sih3oh  
425 CH3SeH Methane selenol ch3seh  
426 NH2OH2+ protonated hydroxylamine nh2oh2+  
427 NH3OH+ N-protonated hydroxylamine nh3oh+  
428 H2OH2O water dimer h2oh2o  
429 CH3OH2+ Methanol, protonated ch3oh2+  
430 H2ONH3 Water Ammonia Dimer h2onh3  
431 H5O2+ Dihydroxonium ion h5o2+  
432 LiCl- lithium chloride anion licl-  
433 LiCl+ lithium chloride cation licl+  
434 KF Potassium Fluoride kf  
435 NaCl Sodium Chloride nacl  
436 NaCl- sodium chloride anion nacl-  
437 NaCl+ sodium chloride cation nacl+  
438 KCl Potassium Chloride kcl  
439 CuF Copper monofluoride cuf  
440 LiBr Lithium Bromide libr  
441 LiBr- lithium bromide anion libr-  
442 LiBr+ lithium bromide cation libr+  
443 CuCl Copper monochloride cucl  
444 NaBr Sodium Bromide nabr  
445 NaBr- sodium bromide anion nabr-  
446 NaBr+ sodium bromide cation nabr+  
447 KBr Potassium Bromide kbr  
448 LiI Lithium Iodide lii  
449 NaI Sodium Iodide nai  
450 KI Potassium Iodide ki  
451 BeCl beryllium monochloride becl  
452 CaF Calcium monofluoride caf  
453 MgCl magnesium monochloride mgcl  
454 MgCl- magnesium monochloride anion mgcl-  
455 MgCl+ magnesium monochloride cation mgcl+  
456 CaCl calcium monochloride cacl  
457 TiCl Titanium Monochloride ticl  
458 ZnF Zinc monofluoride znf  
459 ZnF- Zinc monofluoride anion znf-  
460 ZnF+ Zinc monofluoride cation znf+  
461 ZnCl Zinc monochloride zncl  
462 CaBr Calcium monobromide cabr  
463 BeCl- beryllium monochloride anion becl-  
464 BeCl+ beryllium monochloride cation becl+  
465 AlF Aluminum monofluoride alf  
466 AlF- Aluminum monofluoride anion alf-  
467 AlF+ Aluminum monofluoride cation alf+  
468 BCl boron monochloride bcl  
469 BCl- boron monochloride anion bcl-  
470 BCl+ boron monochloride cation bcl+  
471 AlCl- aluminum monochloride anion alcl-  
472 AlCl+ aluminum monochloride cation alcl+  
473 ScF Scandium monofluoride scf  
474 BBr Boron monobromide bbr  
475 GaF Gallium monofluoride gaf  
476 GaF+ Gallium monofluoride cation gaf+  
477 AlBr Aluminum monobromide albr  
478 GaCl Gallium monochloride gacl  
479 GaCl+ Gallium monochloride cation gacl+  
480 AlI Aluminum monoiodide ali  
481 GaBr Gallium monobromide gabr  
482 CCl carbon monochloride ccl  
483 CCl- carbon monochloride anion ccl-  
484 CCl+ carbon monochloride cation ccl+  
485 SiF- silicon monofluoride anion sif-  
486 SiCl Clorosilylidyne sicl  
487 SiCl- silicon monochloride anion sicl-  
488 SiCl+ silicon monochloride cation sicl+  
489 CBr Carbon monobromide cbr  
490 GeF Germanium monofluoride gef  
491 GeF+ Germanium monofluoride cation gef+  
492 GeCl Germanium monochloride gecl  
493 GeCl+ Germanium monochloride cation gecl+  
494 SiBr Silicon monobromide sibr  
495 SiBr+ Silicon monobromide cation sibr+  
496 NCl- nitrogen monochloride anion ncl-  
497 NCl+ nitrogen monochloride cation ncl+  
498 PF phosphorus monofluoride pf  
499 PF- phosphorus monofluoride anion pf-  
500 PF+ phosphorus monofluoride cation pf+  
501 PCl phosphorus chloride pcl  
502 PCl- phosphorus monochloride anion pcl-  
503 PCl+ phosphorus monochloride cation pcl+  
504 AsF Arsenic monofluoride asf  
505 NBr nitrogen monobromide nbr  
506 AsCl Arsenic monochloride ascl  
507 PBr Phosphorus monobromide pbr  
508 SbF Antimony monofluoride sbf  
509 SbCl Antimony monochloride sbcl  
510 ClO- chlorine monoxide anion clo-  
511 ClO+ chlorine monoxide cation clo+  
512 SF- sulfur monofluoride anion sf-  
513 SCl- sulfur monochloride anion scl-  
514 BrO Bromine monoxide bro  
515 BrO- Bromine monoxide anion bro-  
516 BrO+ Bromine monoxide cation bro+  
517 SeF Selenium monofluoride sef  
518 SBr+ Sulfur monobromide cation sbr+  
519 SeCl Selenium monochloride secl  
520 IO Iodine monoxide io  
521 SeBr Selenium monobromide sebr  
522 BrCl Bromine monochloride brcl  
523 ClF- clorine monofluoride anion clf-  
524 ClF+ clorine monofluoride cation clf+  
525 Cl2 Chlorine diatomic cl2  
526 BrF Bromine monofluoride brf  
527 BrF- bromine fluoride anion brf-  
528 BrF+ bromine fluoride cation brf+  
529 BrCl- bromine chloride anion brcl-  
530 BrCl+ bromine chloride cation brcl+  
531 IF Iodine monofluoride if  
532 Br2 Bromine diatomic br2  
533 Br2- bromine diatomic anion br2-  
534 Br2+ bromine diatomic cation br2+  
535 ICl Iodine monochloride icl  
536 IBr Iodine monobromide ibr  
537 I2 Iodine diatomic i2  
538 I2+ Iodine diatomic cation i2+  
539 HCCl Chloromethylene hccl  
540 HSiF fluorosilylene hsif  
541 HSiCl Chlorosilylene hsicl  
542 HSiBr monobromosilylene hsibr  
543 CHBr bromomethylene chbr  
544 DOCl Hypochlorous acid-d docl  
545 HOCl hypochlorous acid hocl  
546 HOCl+ hypochlorous acid cation hocl+  
547 HOBr Hypobromous acid hobr  
548 HOBr+ Hypobromous acid cation hobr+  
549 HOI Hypoiodous acid hoi  
550 F2H+ Fluorine, protonated f2h+  
551 FHF Hydrogen difluoride fhf  
552 FHF- Hydrogen difluoride anion fhf-  
553 ClFH+ Chlorine fluoride, F-protonated clfh+  
554 FClH+ Chlorine fluoride, Cl-protonated fclh+  
555 Cl2H+ Chlorine, protonated cl2h+  
556 CH2Br bromomethyl radical ch2br  
557 CH2F fluoromethyl radical ch2f  
558 CH2F+ fluoromethyl cation ch2f+  
559 CH2Cl+ chloromethyl cation ch2cl+  
560 NH2Cl chloramine nh2cl  
561 H2F2 Hydrogen fluoride dimer h2f2  
562 CH3F+ methyl fluoride cation ch3f+  
563 CD3F methylfluoride-d3 cd3f  
564 CD3Cl methyl chloride d3 cd3cl  
565 CH3Cl+ Methyl chloride cation ch3cl+  
566 SiH3F monofluorosilane sih3f  
567 CH3Br methyl bromide ch3br  
568 GeH3F monofluorogermane geh3f  
569 GeH3Cl monochlorogermane geh3cl  
570 SiH3Br bromosilane sih3br  
571 CH3I methyl iodide ch3i  
572 SiH3I Silyl Iodide sih3i  
573 NH3Cl+ protonated monochloroammonia nh3cl+  
574 CH3ClH+ methyl chloride, protonated ch3clh+  
575 NH4Cl Ammonium chloride nh4cl  
576 LiNe+ Lithium Neon cation line+  
577 Ne2 Neon diatomic ne2  
578 Ne2+ Neon diatomic cation ne2+  
579 Ar2 Argon diatomic ar2  
580 Ar2+ Argon diatomic cation ar2+  
581 Li3 Lithium trimer li3  
582 Li3+ Lithium trimer cation li3+  
583 SiC2 Silicon dicarbide sic2  
584 C3H3 cyclopropenyl radical cpr  
585 C3H3- Propargyl anion c3h3-  
586 C3H5 Allyl radical allyl  
587 C3H5+ Allyl cation allyl+  
588 CH3CHCH 1-propenyl radical ch3chch  
589 Zn(CH3)2 dimethyl zinc dmz  
590 C3H7+ cyclopropane, protonated c3h7+  
591 CH3CHCH3 Isopropyl radical isopropyl  
592 CH3CHCH3+ Isopropyl cation prop2yl+  
593 SiH2(CH3)2 dimethylsilane dms  
594 LiCN lithium cyanide licn  
595 NaCN Sodium Cyanide nacn  
596 KCN Potassium cyanide kcn  
597 CuCN Copper cyanide cucn  
598 ZnCN Zinc monocyanide zncn  
599 ZnNC Zinc isocyanide znnc  
600 AlCN Aluminum monocyanide alcn  
601 AlNC Aluminum isocyanide alnc  
602 CN2 3H-Diazirin-3-ylidene cn2  
603 CNN Diazocarbene cnn  
604 NCN Cyanoimidogen ncn  
605 N3+ azide cation n3+  
606 HCCN cyanomethylene hccn  
607 HCNN diazomethyl radical hcnn  
608 HN3+ Hydrazoic acid cation hn3+  
609 HNCNH diiminomethane hncnh  
610 CH2N2 diazirine ch2n2  
611 HNNNH+ 1,2-Triazadienium n2h3+  
612 NH2NN+ hydrazoic acid, protonated nh2nn+  
613 CH3CN- acetonitrile anion ch3cn-  
614 CHNCH2 2H-Azirine c157164  
615 CHNHCH 1H-Azirine chnhch  
616 H2CCNH Ethenimine ch2cnh  
617 H2CNCH methyleneaminomethylene ch2nch  
618 HCCNH2 Ethynamine hccnh2  
619 HCNCH2+ 2H-Azirine cation hcnch2+  
620 HNCNH2+ diiminomethane, protonated hncnh2+  
621 NCNH3+ Cyanamide, protonated ncnh3+  
622 NH2CNH+ cyanamide, cn protonated nh2cnh+  
623 NH3CN+ cyanamide, amine protonated nh3cn+  
624 CH2CHNH vinylazine ch2chnh  
625 CH3CHN methylmethaniminyl radical ch3chn  
626 CH2CHNH2 aminoethene aminoethene  
627 CH3CHNH ethanimine ethanimine  
628 NH2BHNH2 diaminoborane nh2bhnh2  
629 C2H5NH+ Protonated Aziridine c2h5nh+  
630 C2H6N+ aziridine, protonated c2h6n+  
631 NH2CH2NH2 diaminomethane nh2ch2nh2  
632 CH3PHCH3 dimethylphosphine ch3phch3  
633 NH2CH2NH3+ diaminoethane, protonated pdam  
634 (CH3)2NH2+ dimethylammonium cation dmam  
635 CH3CH2NH3+ ethylamine, protonated pea  
636 Na2O disodium monoxide na2o  
637 Na2S Sodium sulfide na2s  
638 LiO2 Lithium dioxide lio2  
639 NaO2 Sodium superoxide nao2  
640 CCO Dicarbon monoxide cco  
641 CNO- fulminate cno-  
642 SCN thiocyanato radical scn  
643 SCN- thiocyanide anion scn-  
644 BO2+ Boron dioxide cation bo2+  
645 N2O- Nitrous oxide anion n2o-  
646 PPO Phosphorus oxide phosphide ppo  
647 OCS+ Carbonyl sulfide cation cos+  
648 SiO2 silicon dioxide sio2  
649 CS2 Carbon disulfide cs2  
650 CS2- Carbon disulfide anion cs2-  
651 CS2+ Carbon disulfide cation cs2+  
652 TiO2 Titanium dioxide tio2  
653 GeO2 Germanium dioxide geo2  
654 OCSe Carbonyl selenide ocse  
655 SCSe Carbon sulfide selenide scse  
656 GeS2 Germanium disulfide ges2  
657 CSe2 Carbon diselenide cse2  
658 SCTe Carbon sulfide Telluride scte  
659 PO2 Phosphorus dioxide po2  
660 PO2- Phosphorus dioxide anion po2-  
661 PO2+ Phosphorus dioxide cation po2+  
662 AsO2 Aresenic dioxide aso2  
663 SO2- Sulfur dioxide anion so2-  
664 SO2+ Sulfur dioxide cation so2+  
665 SSO Disulfur monoxide sso  
666 S3- Sulfur trimer anion s3-  
667 SeO2 Selenium dioxide seo2  
668 SeO2+ Selenium dioxide cation seo2+  
669 TeO2 Tellurium Dioxide teo2  
670 CS2H+ Carbon disulfide, protonated cs2h+  
671 HNCS Isothiocyanic acid hncs  
672 HSCN thiocyanic acid hscn  
673 HNNO nitrosoazane hnno  
674 HNNO+ Nitrous oxide, N-protonated hnno+  
675 NNOH+ Nitrous Oxide, O-protonated nnoh+  
676 HCOO formate neutral radical hcoo  
677 O3H+ protonated ozone o3h+  
678 SO2H+ protonated sulfur dioxide so2h+  
679 C2H2O Oxirene oxirene  
680 Be(OH)2 Beryllium hydroxide beo2h2  
681 Mg(OH)2 Magnesium dihydroxide h2mgo2  
682 NH2NO Nitrosamide nh2no  
683 H2COO Dioxymethyl radical h2coo  
684 H2COO+ dioxymethyl cation h2coo+  
685 H2O3 Hydrogen trioxide h2o3  
686 NaOCH3 Sodium methoxide naoch3  
687 CH2BOH hydroxy(methylene)borane ch2boh  
688 BH3CO Borane carbonyl bh3co  
689 CH3BO Borane, methyloxo- ch3bo  
690 CH2CHO Vinyloxy radical ch2cho  
691 CH2COH+ ketene, protonated ch2coh+  
692 CH3CO- Acetyl anion ch3co-  
693 CH3CO+ acetyl cation ch3co+  
694 CH2NOH formaldoxime ch2noh  
695 CH3NO nitrosomethane ch3no  
696 CNOH3 1,2-oxaziridine cnoh3  
697 HOCHNH hydroxymethylimine hochnh  
698 CHSNH2 thioformamide chsnh2  
699 NHCHSH Methanimidothioic acid nhchsh  
700 CH2OOH CH2OOH radical ch2ooh  
701 CH3OO- methylperoxy anion ch3oo-  
702 CH3OO+ methylperoxy cation ch3oo+  
703 C2H4O+ ethylene oxide cation c2h4o+  
704 CH3CHO+ acetaldehyde cation ch3cho+  
705 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
706 CH2CHSH Ethenethiol ch2chsh  
707 H2CONH2+ protonated formamide h2conh2+  
708 NH2CHOH+ Formamide, O-protonated nh2choh+  
709 NH3CHO+ Formamide, N-Protonated nh3cho+  
710 CH2(OH)2 methanediol ch2o2h2  
711 HSCH2SH Methanedithiol ch4s2  
712 H2OH2CO water formaldehyde dimer h2oh2co  
713 C2H4OH+ ethylene oxide, protonated c2h4oh+  
714 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
715 CH3CH2O Ethoxy radical ethoxy  
716 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
717 CH3CHOH+ acetaldehyde, protonated ch3choh+  
718 CH3OCH2 methoxymethyl radical ch3och2  
719 NH2CH2OH aminomethanol nh2ch2oh  
720 CH3SCH3 Dimethyl sulfide mesme  
721 CH3SCH3+ dimethyl sulfide cation mesme+  
722 CH3SeCH3 dimethylselenide dmse  
723 CH3OHH2O methanol water dimer ch3ohh2o  
724 H2OCH3OH water methanol dimer h2och3oh  
725 CuF2 Copper difluoride cuf2  
726 ZnF2 Zinc difluoride znf2  
727 CNF iso cyanogen fluoride cnf  
728 ClCN chlorocyanogen clcn  
729 BrCN Cyanogen bromide brcn  
730 ICN Cyanogen iodide icn  
731 FBO Boron monofluoride monoxide fbo  
732 BeF2 Beryllium fluoride bef2  
733 MgF2 Magnesium fluoride mgf2  
734 BeCl2 Beryllium chloride becl2  
735 MgCl2 Magnesium dichloride mgcl2  
736 CaCl2 Calcium Chloride cacl2  
737 ZnCl2 Zinc dichloride zncl2  
738 BeBr2 Beryllium bromide bebr2  
739 CaBr2 Calcium dibromide cabr2  
740 CaF2 Calcium difluoride caf2  
741 FCO Carbonyl fluoride fco  
742 FCO+ Carbonyl fluoride cation fco+  
743 ClCO carbonyl monochloride clco  
744 BF2 Boron difluoride radical bf2  
745 ClNO Nitrosyl chloride clno  
746 BrNO Nitrosyl bromide brno  
747 INO Nitrosyl iodide ino  
748 CFCl chlorofluoromethylene cfcl  
749 SiF2 Silicon difluoride sif2  
750 SiF2+ Silicon difluoride cation sif2+  
751 CCl2 dichloromethylene ccl2  
752 CCl2- dichloromethylene anion ccl2-  
753 CCl2+ dichloromethylene cation ccl2+  
754 SiCl2 Dichlorosilylene sicl2  
755 GeF2 Germanium difluoride gef2  
756 CBr2 dibromomethylene cbr2  
757 FOO+ Fluorine dioxide cation foo+  
758 ClOO chloroperoxy radical cloo  
759 ClOO+ chloroperoxy cation cloo+  
760 OClO- Chlorine dioxide anion oclo-  
761 OClO+ Chlorine dioxide cation oclo+  
762 ClS2 Sulfur chloride cls2  
763 BrOO Bromine dioxide broo  
764 OBrO Bromine dioxide radical obro  
765 PF2 Phosphorus difluoride pf2  
766 PF2+ Phosphorus difluoride cation pf2+  
767 SF2- sulfur difluoride anion sf2-  
768 SF2+ sulfur difluoride cation sf2+  
769 Cl2O Dichlorine monoxide cl2o  
770 SeF2 Selenium difluoride sef2  
771 BrOCl Bromine hypochlorite brocl  
772 BrOBr Bromine oxide brobr  
773 F3- trifluoride anion f3-  
774 Cl3- trichloride anion cl3-  
775 Br3- tribromide anion br3-  
776 I3- triiodide i3-  
777 SFCl Sulfur chloride fluoride sfcl  
778 HCCF+ fluoroacetylene cation hccf+  
779 HCCCl Chloroacetylene hcccl  
780 HCCBr bromoacetylene hccbr  
781 HFCO+ formyl fluoride cation hfco+  
782 COHCl Formyl chloride cohcl  
783 COHBr Formyl bromide cohbr  
784 BHCl2 Borane, dichloro- bhcl2  
785 CHCl2 dichloromethyl radical chcl2  
786 CHF2 difluoromethyl radical chf2  
787 CHF2+ difluoromethyl cation chf2+  
788 CHFCl Chlorofluoromethyl radical chfcl  
789 CHFCl+ Chlorofluoromethyl cation chfcl+  
790 CHCl2+ dichloromethyl cation chcl2+  
791 CHBr2 dibromomethyl radical chbr2  
792 HOClO Chlorous acid hoclo  
793 NHF2 difluoramine nhf2  
794 NHCl2 dichloroamine nhcl2  
795 CH2FCl fluorochloromethane ch2fcl  
796 SiH2F2 difluorosilane sih2f2  
797 CH2BrF Methane, bromofluoro- ch2fbr  
798 CH2BrCl Methane, bromochloro- ch2clbr  
799 CH2FI fluoroiodomethane ch2fi  
800 CH2Br2 dibromomethane ch2br2  
801 CH2ClI chloroiodomethane ch2cli  
802 CH2BrI bromoiodomethane ch2bri  
803 CH2I2 Diiodomethane ch2i2  
804 SiH2Cl2 dichlorosilane sih2cl2  
805 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
806 CH2CHF+ fluoroethene cation ch2chf+  
807 C2H3Cl Ethene, chloro- ch2chcl  
808 C2H3Br vinyl bromide c2h3br  
809 C2H3I Vinyl iodide c2h3i  
810 CH2FOH fluoromethanol ch2foh  
811 CH3OCl methyl hypochlorite ch3ocl  
812 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
813 CHClCH3 1-chloroethyl radical chclch3  
814 CH3CH2Cl Ethyl chloride c2h5cl  
815 CH3SiFH2 fluoromethylsilane ch3sifh2  
816 C2H5Br Ethyl bromide etbr  
817 C2H5I Ethyl iodide c2h5i  
818 KrF2 Krypton difluoride krf2  
819 XeF2 Xenon difluoride xef2  
820 B4H10 Tetraborane(10) b4h10  
821 C4H2+ diacetlyene cation c4h2+  
822 C4H4 cyclobutadiene cbd  
823 C4H4 Tetrahedrane c4h4  
824 CHCCH2CH3 1-Butyne c107006  
825 CH3CHCHCH2 methylallyl radical c4h7  
826 C4H8 methylcyclopropane mcp  
827 B(CH3)3 trimethylborane bme3  
828 Al(CH3)3 trimethyl aluminum tma  
829 SiH(CH3)3 trimethylsilane trimsi  
830 Li3N trilithium nitride li3n  
831 P4 Phosphorus tetramer p4  
832 As4 Arsenic tetramer as4  
833 H2CNCN cyanamide, methylene ch2ncn  
834 HNCCNH Ethenediimine hnccnh  
835 C3H3N+ acrylonitrile cation ch2chcn+  
836 CH3N3 methyl azide ch3n3  
837 NH2CCNH2 Diaminoacetylene daa  
838 NH2CH2CN Aminoacetonitrile aan  
839 CH3NHN2+ methyl azide, protonated ch3nhn2+  
840 C2H5CN ethyl cyanide c2h5cn  
841 CH5N3 Guanidine guanidine  
842 C4H6 Bicyclo[1.1.0]butane c157335  
843 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
844 H2NCHCHNH2 diaminoethylene dae  
845 CH6N3+ guanidinium ch6n3+  
846 CH7N3 triaminomethane tam  
847 C3H7N Azetidine azet  
848 NH2CH2CH2CH3 1-Propanamine pram1  
849 P(CH3)3 trimethylphosphine tmp  
850 N(SiH3)3 trisilylamine tsa  
851 As(CH3)3 trimethyl arsine tmas  
852 (CH3)3NH+ protonated trimethyl amine ptma  
853 C3H7NH3+ n-propylamine, protonated c3h7nh2  
854 Li2O2 dilithium dioxide li2o2  
855 Na2O2 disodium dioxide na2o2  
856 K2O2 dipotassium dioxide k2o2  
857 C3O Tricarbon monoxide c3o  
858 ONNO NO dimer onno  
859 CO3 Carbon trioxide co3  
860 NO3- nitrate anion no3-  
861 SO3- Sulfur trioxide anion so3-  
862 SO3-- Sulfate dianion so3--  
863 SO3+ Sulfur trioxide cation so3+  
864 SeO3 selenium trioxide seo3  
865 TeO3 Tellurium trioxide teo3  
866 HCO3- bicarbonate anion hco3-  
867 HSO3 Hydroxysulfonyl radical hso3  
868 NH2NO2 nitramide nh2no2  
869 C2H2CO cyclopropenone c2h2co  
870 C3H2O Propadienal c3h2o  
871 HCCCHO 2-propynal hcccho  
872 C2H2O2+ Ethanedial cation c2h2o2+  
873 H2CO3 Carbonic acid h2co3  
874 H2CS3 thiocarbonic acid h2cs3  
875 H2NO3+ Nitric Acid, Protonated h2no3+  
876 H2SO3 Sulfurous acid h2so3  
877 C2H3NO Nitrosoethylene c2h3no  
878 CH3NCO methylisocyante ch3nco  
879 HOCH2CN cyanomethanol hoch2cn  
880 NH2COOH Carbamic acid nh2cooh  
881 H3CO3+ carbonic acid, protonated h3co3+  
882 C3H4O 2-Propyn-1-ol c107197  
883 C3H4O Methylketene c6004440  
884 NH2CONH2+ Urea cation urea+  
885 NH2CSNH2 Thiourea thiourea  
886 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
887 NH3COOH+ protonated Carbamic acid nh3cooh+  
888 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
889 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
890 HCOOHH2O Formic acid water dimer hcoohh2o  
891 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
892 CH3COCH2 Acetonyl radical ch3coch2  
893 CH2C(OH)NH2 1-amino vinyl alchohol ava  
894 CH3C(OH)=NH Ethaninidic acid eia  
895 HCONHCH3 N-methylformamide nmfa  
896 CH5N2O+ urea, N-protonated ch4n2o+  
897 H2NCOHNH2+ urea, protonated ureah+  
898 C2H5OO ethylperoxy radical c2h5oo  
899 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
900 C3H5OH Cyclopropanol cproh  
901 C3H6O 2-Propen-1-ol c107186  
902 C3H6O Acetone enol enol  
903 C3H6O Oxetane oxetane  
904 CH3COCH3- acetone anion ch3coch3-  
905 C3H6S Thietane thietane  
906 C3H6S Thiirane, methyl- methiirane  
907 CH3CSCH3 Thioacetone ch3csch3  
908 CH3SOCH3 Dimethyl sulfoxide dmso  
909 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
910 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
911 CH3COHCH3+ acetone, protonated acetoneh+  
912 HOCH2CH2NH2 monoethanolamine mea  
913 C3H7SH 1-Propanethiol prsh  
914 CH3CHSHCH3 2-Propanethiol isoprsh  
915 CH3SCH2CH3 Ethane, (methylthio)- etsme  
916 H2OCH3OCH3 water dimethylether dimer h2och3och3  
917 Li2F2 Lithium fluoride dimer li2f2  
918 Na2F2 Sodium Fluoride Dimer na2f2  
919 Na2Cl2 Disodium dichloride na2cl2  
920 C2Cl2 dichloroacetylene c2cl2  
921 C2Cl2+ dichloroacetylene cation c2cl2+  
922 FNO2 Nitryl fluoride fno2  
923 FONO Nitrosyl hypofluorite fono  
924 ClNO2 Nitryl chloride clno2  
925 ClONO chlorine nitrite clono  
926 BrONO Bromine nitrite brono  
927 CF2O+ Carbonic difluoride cation f2co+  
928 COFCl Carbonic chloride fluoride cofcl  
929 CCl2O Phosgene cl2co  
930 COBr2 Carbonic dibromide cobr2  
931 BClF2 Chlorodifluoroborane bclf2  
932 AlF2Cl Aluminum chloride difluoride alclf2  
933 ScF3 Scandium trifluoride ScF3  
934 AlFCl2 Aluminum dichloride fluoride alcl2f  
935 BCl3 Borane, trichloro- bcl3  
936 BCl3+ Boron Trichloride cation bcl3+  
937 GaF3 Gallium trifluoride gaf3  
938 AlCl3 Aluminum trichloride alcl3  
939 GaCl3 Gallium trichloride gacl3  
940 BBr3 Boron tribromide bbr3  
941 AlBr3 Aluminum Bromide albr3  
942 ClO3 Chlorine trioxide clo3  
943 ClO3- chlorate anion clo3-  
944 BrO3- Bromate anion bro3-  
945 CF2Cl difluorochloromethyl radical cf2cl  
946 SiF3 Silicon trifluoride radical sif3  
947 SiF3+ Silicon trifluoride cation sif3+  
948 CFCl2 dichlorofluoromethyl radical cfcl2  
949 CCl3 Trichloromethyl radical ccl3  
950 CCl3- Trichloromethyl anion ccl3-  
951 CCl3+ Trichloromethyl cation ccl3+  
952 SiCl3 trichlorosilyl radical sicl3  
953 SiCl3+ trichlorosilyl cation sicl3+  
954 CBr3 tribromomethyl radical cbr3  
955 FOOF Perfluoroperoxide foof  
956 ClOOCl Dichlorine dioxide cloocl  
957 SOCl2 thionyl chloride socl2  
958 SeOCl2 selenium oxychloride seocl2  
959 PF3 Phosphorus trifluoride pf3  
960 NCl3 nitrogen trichloride ncl3  
961 AsF3 Arsenic trifluoride asf3  
962 PCl3 Phosphorus trichloride pcl3  
963 SbF3 Antimony Trifluoride sbf3  
964 AsCl3 Arsenous trichloride ascl3  
965 SbCl3 Antimony Trichloride sbcl3  
966 NBr3 Nitrogen Tribromide nbr3  
967 PBr3 Phosphorus tribromide pbr3  
968 AsBr3 Arsenic tribromide asbr3  
969 NI3 Nitrogen triiodide ni3  
970 PI3 Phosphorus triiodide pi3  
971 ClSSCl Disulfur dichloride s2cl2  
972 BrF3 Bromine trifluoride brf3  
973 IF3 iodone trifluoride if3  
974 CHF2Cl difluorochloromethane chf2cl  
975 SiHF3 trifluorosilane sihf3  
976 CHFCl2 fluorodichloromethane chfcl2  
977 CDCl3 trichloromethane-d cdcl3  
978 CHCl3 Chloroform chcl3  
979 CHBrF2 Methane, bromodifluoro- chbrf2  
980 SiHCl3 Trichlorosilane sihcl3  
981 CHFClBr fluorochlorobromomethane chfclbr  
982 CHBrCl2 Methane, bromodichloro- chbrcl2  
983 CHF2I difluoroiodomethane chf2i  
984 CHBr2F dibromofluoromethane chbr2f  
985 CHFClI fluorochloroiodomethane chfcli  
986 CHCl2I dichloroiodomethane chcl2i  
987 CHClBr2 Methane, dibromochloro- chclbr2  
988 CHBr3 bromoform chbr3  
989 CHI3 Iodoform chi3  
990 NF3H+ protonated nitrogen trifluoride nf3h+  
991 AsF3H+ Arsenic trifluoride, protonated asf3h+  
992 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
993 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
994 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
995 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
996 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
997 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
998 C2H2Br2 1,1-dibromoethene c2h2br2  
999 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1000 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1001 CH2FCHO Fluoroacetaldehyde ch2fcho  
1002 CH2ClCHO chloroacetaldehyde ch2clcho  
1003 CH3COCl Acetyl Chloride ch3cocl  
1004 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1005 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1006 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1007 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1008 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1009 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1010 CH2CFCH3 2-fluoropropene 2fpro  
1011 CH2CHCH2F Allyl Fluoride allylf  
1012 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1013 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1014 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1015 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1016 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1017 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1018 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1019 CH2FCH2CH3 1-Fluoropropane prf1  
1020 CH3CHFCH3 2-Fluoropropane prf2  
1021 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1022 CH3CHClCH3 Propane, 2-chloro- prcl2  
1023 CH3CH2CH2Br n-propyl bromide prbr  
1024 CH3CHBrCH3 i-propyl bromide iprbr  
1025 C3H9O+ trimethyl oxonium cation c3h9o+  
1026 B5H9 pentaborane9 b5h9  
1027 C5H4 pentatetraene ptrene  
1028 C5H5 cyclopentadienyl radical c5h5  
1029 C5H6 Propellane propellane  
1030 C5H7 1,3-pentadienyl radical pdyl  
1031 C5H7 cyclopentenyl radical cpyl  
1032 C5H8 1-pentyne a1pentyne  
1033 C5H8 Bicyclo[1.1.1]pentane bcp  
1034 C5H8 Ethenylcyclopropane c693867  
1035 CH3CCCH2CH3 2-Pentyne 2pentyne  
1036 Si(CH3)4 tetramethylsilane tms  
1037 CH2N4 1H-Tetrazole 1htz  
1038 C3H3N2 imidazolyl radical im  
1039 C3H3N2- imidizolyl anion im-  
1040 C2H3N3 1H-1,2,4-Triazole c288880  
1041 C4H4N pyrrolide radical c4h4n  
1042 C4H4N- pyrrolide anion c4h4n-  
1043 C3H4N2 2H-Imidazole imid2h  
1044 C3H4N2 4H-Imidazole imid4h  
1045 C4H5N 2H-pyrrole pyrrole2  
1046 C4H5N 3H-pyrrole pyrrole3  
1047 CH2CHCH2CN Allylcyanide ch2chch2cn  
1048 C4H6N+ pyrrole, alpha-protonated appyr  
1049 C4H6N+ pyrrole, beta-protonated bppyr  
1050 C4H6N+ pyrrole, protonated ppyr  
1051 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1052 CH3CH2CH2CN Butanenitrile c109740  
1053 NH(C2H5)2 diethylamine dea  
1054 NC4H12+ tetramethyl ammonium cation nc4h12+  
1055 B2O3 diboron trioxide b2o3  
1056 MgCO3 Magnesium Carbonate mgco3  
1057 BeCO3 Beryllium Carbonate beco3  
1058 CaCO3 Calcium Carbonate caco3  
1059 ONONO Nitrosyl nitrite onono  
1060 PO4--- phosphate po4---  
1061 SO4-- sulfate so4--  
1062 HOONO2 peroxy nitric acid hoono2  
1063 HSO4- bisulfate anion hso4-  
1064 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1065 C3H2O2 Propiolic acid c3h2o2  
1066 CHOCOOH oxo acetic acid oaa  
1067 CHOOCHO diformyl ether choocho  
1068 H2SO4 Sulfuric acid h2so4  
1069 H2SeO4 Selenic acid h2seo4  
1070 C3H3NO Oxazole oxazole  
1071 C3H3NS Thiazole thiazole  
1072 CH3C(O)OO acetyl peroxy radical ch3coo2  
1073 H3PO4 Phosphoric Acid h3po4  
1074 C4H4O+ Furan cation furan+  
1075 CH3COCCH 3-butyn-2-one c1423605  
1076 C4H4S Thiophene furans  
1077 C4H4Se selenophene c4h4se  
1078 C3H4O2 Methyl glyoxal megly  
1079 HOCHCCHOH allenediol aldiol  
1080 C2H4O3 1,2,3-trioxolane c2h4o3  
1081 C2H4O3 trioxolane124 triox  
1082 HOCH2COOH Hydroxyacetic acid hac  
1083 CH5N3S Hydrazinecarbothioamide c79196  
1084 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1085 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1086 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1087 CH2CHSCHCH2 Divinyl sulfide divis  
1088 CH3CH2COOH Propanoic Acid propanoic  
1089 HCOOC2H5 Ethyl formate faee  
1090 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1091 C4H8O Furan, tetrahydro- thf  
1092 C4H8S Thiophene, tetrahydro- tht  
1093 C3H8O2 Methane, dimethoxy- c109875  
1094 C3H8S2 1,3-Propanedithiol c109808  
1095 C4H10O 1-Butanol butanol1  
1096 C4H10O Methyl propyl ether meopr  
1097 C4H10O+ 1-Butanol cation butanol1+  
1098 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1099 C2H5SC2H5 Diethyl sulfide etset  
1100 C4H9SH 1-Butanethiol bush  
1101 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1102 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1103 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1104 ClONO2 Chlorine nitrate clono2  
1105 BrONO2 Bromine nitrate brono2  
1106 TiCl4 Titanium tetrachloride ticl4  
1107 ClO4- perchlorate anion clo4-  
1108 ClFO3 Perchloryl fluoride clfo3  
1109 SO2F2 Sulfuryl fluoride so2f2  
1110 SO2Cl2 Sulfuryl chloride so2cl2  
1111 F3PO Phosphoryl fluoride pf3o  
1112 Cl3PO Phosphoryl chloride pcl3o  
1113 CF3Cl Methane, chlorotrifluoro- cf3cl  
1114 SiF4 Silicon tetrafluoride sif4  
1115 TiF4 Titanium tetrafluoride tif4  
1116 CFCl3 Trichloromonofluoromethane cfcl3  
1117 CF3Br Bromotrifluoromethane cf3br  
1118 GeF4 Germanium tetrafluoride gef4  
1119 CCl4 Carbon tetrachloride ccl4  
1120 CCl4+ Carbon tetrachloride cation ccl4+  
1121 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1122 SiCl4 Silane, tetrachloro- sicl4  
1123 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1124 CF3I trifluoroiodomethane cf3i  
1125 CBrCl3 Methane, bromotrichloro- cbrcl3  
1126 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1127 GeCl4 Germanium Tetrachloride gecl4  
1128 CBr2ClF dibromochlorofluoromethane cbr2clf  
1129 CBr2Cl2 dibromodichloromethane cbr2cl2  
1130 CCl3I trichloroiodomethane ccl3i  
1131 CFBr3 fluorotribromomethane cfbr3  
1132 CFClBrI fluorochlorobromoiodomethane cfclbri  
1133 CBr3Cl tribromochloromethane cbr3cl  
1134 CF2I2 difluorodiiodomethane cf2i2  
1135 CBr4 Carbon tetrabromide cbr4  
1136 CCl2I2 dichlorodiiodomethane ccl2i2  
1137 SiBr4 Silicon tetrabromide sibr4  
1138 CBr3I tribromoiododmethane cbr3i  
1139 GeBr4 Germanium tetrabromide gebr4  
1140 CI4 tetraiodomethane ci4  
1141 SiI4 silicon tetraiodide sii4  
1142 ClOF3 Chlorine trifluoride oxide clof3  
1143 SeF4 Selenium tetrafluoride sef4  
1144 SCl4 Sulfur tetrachloride scl4  
1145 CHClCCl2 Trichloroethylene chclccl2  
1146 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1147 HSO3F Fluorosulfonic acid hso3f  
1148 CF3OH trifluoromethanol cf3oh  
1149 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1150 CHClCCHCl 1,3-dichloroallene chclcchcl  
1151 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1152 CHCl2CHO dichloroacetaldehyde chcl2cho  
1153 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1154 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1155 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1156 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1157 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1158 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1159 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1160 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1161 NH3BCl3 Amminetrichloroboron nh3bcl3  
1162 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1163 C3H5ClO Oxirane, (chloromethyl)- c106898  
1164 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1165 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1166 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1167 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1168 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1169 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1170 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1171 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1172 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1173 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1174 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1175 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1176 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1177 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1178 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1179 C4H9F 1-fluorobutane butaf1  
1180 CH3CHFCH2CH3 2-fluorobutane butaf2  
1181 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1182 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1183 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1184 XeF4 Xenon tetrafluoride xef4  
1185 C2H2N2O Furazan furazan  
1186 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1187 NH3BF3 Amminetrifluoroboron nh3bf3  
1188 C6H2 hexatriyne c6h2  
1189 C6H5- phenyl anion phenyl-  
1190 C6H6 Prismane prismane  
1191 C6H6 1,2,4,5-Hexatetraene ht1245  
1192 C6H6 3,4-Dimethylenecyclobutene cb34m  
1193 C6H6 Benzvalene bv  
1194 C6H6 Dewar Benzene dewar  
1195 C6H6 Hexa-1,5-diene-3-yne hdy153  
1196 C6H6 Trimethylenecycopropane tmcp  
1197 C6H6+ Benzene cation c6h6+  
1198 C6H7+ benzene, protonated c6h7+  
1199 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1200 C6H10 1,5-Hexadiene c592427  
1201 C6H10 3-Hexyne hexyne3  
1202 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1203 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1204 C6H12 (E)-2-Hexene e2hexene  
1205 C6H12 (E)-hex-3-ene e3hexene  
1206 C6H12 (Z)-hex-2-ene z2hexene  
1207 C6H12 (Z)-hex-3-ene z3hexene  
1208 C6H12 2,3-dimethylbut-1-ene c563780  
1209 C6H12 2,3-dimethyl-but-2-ene tmeet  
1210 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1211 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1212 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1213 C4H2N2 Fumaronitrile c4h2n2  
1214 C5H5N E-2,4-pentadienenitrile bdcn  
1215 C5H6N+ Pyridinium c5h6n  
1216 C6H10 Bicyclo[3.1.0]hexane c285585  
1217 Li2CO3 Lithium Carbonate li2co3  
1218 Na2CO3 Sodium Carbonate na2co3  
1219 MgSO4 Magnesium Sulfate mgso4  
1220 C3H2O3 vinylene carbonate vica  
1221 C2H2O4 Oxalic Acid oxalic  
1222 C4H4O2 2(5H)-Furanone furanone  
1223 C2H4N2S2 Ethanedithioamide c79403  
1224 C2H4CO3 Ethylene carbonate etco3  
1225 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1226 C3H4S3 1,3-Dithiolane-2-thione c822388  
1227 C2H4O4 Formic acid dimer fadimer  
1228 C4H5NS 4-Methylthiazole c693958  
1229 C2H5NO3 Nitric acid, ethyl ester c625581  
1230 C5H6O 2H-Pyran pyran2  
1231 C5H6O 2-methylfuran furan2m  
1232 C5H6O 3-Methylfuran furan3m  
1233 C5H6O Pentadienal pdal  
1234 C5H6S Thiophene, 2-methyl- c554143  
1235 C5H6S Thiophene, 3-methyl- c616444  
1236 C4H6O2 Crotonic Acid crot  
1237 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1238 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1239 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1240 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1241 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1242 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1243 C4H6OS Vinyl sulfoxide c1115157  
1244 CH6N4S Carbonothioic dihydrazide thiacarb  
1245 C3H6S3 1,3,5-Trithiane c3h6s3  
1246 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1247 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1248 C4H7NO Ethoxyacetonitrile etoaccn  
1249 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1250 C3H7ONO Propyl nitrite prono  
1251 C5H8O Cyclopentanone c120923  
1252 C5H8O Methyl cyclopropyl ketone c765435  
1253 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1254 C4H8O2 Ethyl acetate c141786  
1255 C4H8OS s-Ethyl thioacetate c625605  
1256 C3H8O2S (Methylsulfonyl)ethane c594434  
1257 C5H10O 2-methylbutyraldehyde 2meba  
1258 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1259 C5H10S 3-Ethylthio-1-propene c5296628  
1260 C5H10S Cyclopentanethiol c1679078  
1261 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1262 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1263 C4H10OS Diethyl sulfoxide c70291  
1264 C4H10S2 1,4-Butanedithiol budisl14  
1265 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1266 C5H12S 1-Butanethiol, 3-methyl- c541311  
1267 C5H12S 1-Pentanethiol c110667  
1268 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1269 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1270 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1271 C5H12S Butane, 1-(methylthio)- c628295  
1272 C5H12S Ethyl propyl sulfide c4110503  
1273 C5H12S Propane, 2-(ethylthio)- c5145993  
1274 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1275 C4F2 difluorobutadiyne c4f2  
1276 ClCOClCO Oxalyl chloride oxcl  
1277 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1278 C2F4+ Tetrafluoroethylene cation c2f4+  
1279 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1280 CF2CCl2 difluorodichloroethylene cf2ccl2  
1281 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1282 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1283 C2FCl3 fluorotrichloroethene c2fcl3  
1284 C2Cl4 Tetrachloroethylene c2cl4  
1285 C2Br4 tetrabromoethene c2br4  
1286 AsF5 Arsenic pentafluoride asf5  
1287 PCl5 Phosphorus pentachloride pcl5  
1288 SF5 Sulfur pentafluoride sf5  
1289 SF5+ pentafluoro sulfur cation sf5+  
1290 SbCl5 Antimony pentachloride sbcl5  
1291 BrF5 bromine pentafluoride brf5  
1292 ClF5 chlorinepentafluoride clf5  
1293 IF5 pentafluoroiodine if5  
1294 CF3CHO trifluoroacetaldehyde cf3cho  
1295 CCl3CHO trichloroacetaldehyde ccl3cho  
1296 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1297 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1298 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1299 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1300 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1301 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1302 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1303 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1304 CF3COOH trifluoroacetic acid cf3cooh  
1305 C4H3ClO Furan, 2-chloro fur2cl  
1306 C4H3ClO Furan,3-chloro fur3cl  
1307 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1308 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1309 C4H8Cl2 1,4-Dichlorobutane c110565  
1310 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1311 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1312 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1313 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1314 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1315 C5H11Cl Pentane, 1-chloro- pencl1  
1316 C4H8O2 Butanoic acid bua  
1317 C7H7 cycloheptatrienyl radical c7h7  
1318 C7H7+ cycloheptatrienyl cation c7h7+  
1319 C7H8 cycloheptatriene cht  
1320 C7H8 Norbornadiene norbor  
1321 C7H8 Quadricyclane qucy  
1322 C7H14 cycloheptane c7h14  
1323 CH(CN)3 tricyanomethane mecn3  
1324 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1325 C6H7N 2-Methylpyridine mp  
1326 C6H13N 2-Methylpiperidine pip2m  
1327 C6H13N cyclohexanamine cham  
1328 C6H15N triethylamine tea  
1329 N2O5 Dinitrogen pentoxide n2o5  
1330 C4H2O3 Maleic Anhydride malan  
1331 C6H5O phenoxy radical phenoxy  
1332 C5H5NO 2(1H)-Pyridinone c72762006  
1333 C5H5NO 2(3H)-Pyridinone c9000048  
1334 C5H5NO 2(5H)-Pyridinone c9000037  
1335 C5H5NO 2-Pyridinol c109104  
1336 C5H5NO 3(2H)-Pyridinone c9000004  
1337 C5H5NO 3(4H)-Pyridinone c9000026  
1338 C5H5NO 3(6H)-Pyridinone c9000015  
1339 C5H5NO 3-Pyridinol c109002  
1340 C5H5NO 4(1H)-Pryidinone c9000060  
1341 C5H5NO 4(3H)-Pryidinone c9000059  
1342 C5H5NO 4-Pyridinol c626642  
1343 C6H6O 2,4-Cyclohexadienone c24599573  
1344 C6H6O 2,5-Cyclohexadienone c5664335  
1345 C6H5SH Benzenethiol phsh  
1346 HO2CCHNH2CH2OH Serine serine  
1347 C5H8O2 Acetylacetone acac  
1348 C4H8O2S Sulfolane sulfolane  
1349 C7H10 Norbornene norbornene  
1350 CH(C2H3)3 trivinyl methane tvm  
1351 C6H12O hexanal c6h12o  
1352 C6H12O Oxepane oxepane  
1353 C3H7OC3H7 di-n-propyl ether propr  
1354 F2CCCF2 tetrafluoroallene pfa  
1355 CF3COO- trifluoro acetate anion cf3coo-  
1356 CF3COF trifluoroacetyl fluoride cf3cof  
1357 CF3COCl trifluoroacetyl chloride cf3cocl  
1358 PF6 Hexafluorophosphate neutral pf6  
1359 SF6 Sulfur Hexafluoride sf6  
1360 SeF6 Selenium hexafluoride sef6  
1361 CF3CHF2 pentafluoroethane cf3chf2  
1362 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1363 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1364 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1365 CCl3CHCl2 pentachloroethane ccl3chcl2  
1366 C6H5Cl chlorobenzene bzcl  
1367 C6H5Br bromobenzene bzbr  
1368 C8H6 Calicene calicene  
1369 C8H6 benzocyclobutadiene bcbd  
1370 C8H6 Pentalene pentalene  
1371 CH3C6H4CH3 meta-xylene mxylene  
1372 CH3C6H4CH3 paraxylene pxylene  
1373 C8H14 Bicyclo[2.2.2]octane bico222  
1374 C8H16 cyclooctane cyclooct  
1375 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1376 C4O4-- squarate dianion c4o4--  
1377 S4N4 Tetrasulfur tetranitride s4n4  
1378 S8 Octasulfur s8  
1379 C4H4N2O2 Uracil uracil  
1380 C5H9NO2 Proline proline  
1381 C6H12O2 Methyl pivalate c598981  
1382 C6H12O2 Hexanoic acid hexa  
1383 C4F4 tetrafluorcyclobutadiene c4f4  
1384 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1385 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1386 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1387 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1388 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1389 C2Cl6 hexachloroethane c2cl6  
1390 IF7 Iodine heptafluoride if7  
1391 C6H4F2 metadifluorobenzene mdfb  
1392 C6H4Cl2 1,2-dichlorobenzene dcb12  
1393 C6H4Cl2 1,3-dichlorobenzene dcb13  
1394 C6H4Cl2 1,4-dichlorobenzene dcb14  
1395 C6H5NO nitrosobenzene bzno  
1396 C9H8 Indene indene  
1397 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1398 C9H12 n-propyl benzene prbz  
1399 C9H20 Nonane nonane  
1400 C(CN)4 tetracyanomethane c5n4  
1401 C5H4N4 purine purine  
1402 C8H7N Indole indole  
1403 C3H3N3O3 cyanuric acid cyanuric  
1404 CH3COC6H5 acetophenone acph  
1405 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1406 C3F6 hexafluoropropene c3f6  
1407 C6H3F3 Benzene trifluoride 123 bzf3a  
1408 C8H18O 1-Octanol octanol  
1409 C10H8 Azulene azu  
1410 C10H10 bullvalene bullv  
1411 C6N4 Tetracyanoethylene tcne  
1412 C6N4- tetracyanoethylene anion tcne-  
1413 C10H22 Decane decane  
1414 C4F6 perfluorobutadiene c4f6  
1415 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1416 C3F8 perfluoropropane c3f8  
1417 Fe(CO)5 Iron pentacarbonyl ipc  
1418 Fe(C5H5)2 ferrocene fecp2  
1419 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1420 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1421 C12H8 Acenaphthylene acenaph  
1422 C12H8 biphenylene biph  
1423 C12H10 Heptalene heptalene  
1424 C6H12O6 Inositol inositol  
1425 C6F6 hexafluorobenzene c6f6  
1426 S2F10 disulphur decafluoride s2f10  
1427 C13H10 Fluorene fluorene  
1428 C14H10 Anthracene anth  
1429 C14H10 Phenanthrene phenanthrene  
1430 C14H14 Bibenzyl bibenzyl  
1431 C12H10N2 azobenzene azobenzene  
1432 C6H5COC6H5 benzophenone benzophenone  
1433 C16H10 Pyrene pyrene  
1434 C18H12 Tetracene tetracene  
1435 C19H16 Triphenylmethane tpm  
1436 C24H12 Coronene coronene  
1437 C60 Buckminsterfullerene c60