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

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Na Sodium atom 2SKh
14 Na+ Sodium atom cation 1SKh
15 LiH Lithium Hydride 1ΣC∞v
16 LiH- lithium hydride anion 2ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH- sodium hydride anion 2ΣC∞v
20 NaH+ sodium hydride cation 2ΣC∞v
21 Be Beryllium atom 1SKh
22 Mg Magnesium atom 1SKh
23 BeH beryllium monohydride 2ΣC∞v
24 BeH- berylium monohydride anion 1ΣC∞v
25 BeH+ beryllium monohydride cation 1ΣC∞v
26 MgH magnesium monohydride 2ΣC∞v
27 MgH- magnesium monohydride anion 1ΣC∞v
28 MgH+ magnesium monohydride cation 1ΣC∞v
29 BeH2 beryllium dihydride 1ΣgD∞h
30 MgH2 magnesium dihydride 1ΣgD∞h
31 B Boron atom 2PKh
32 BH Boron monohydride 1ΣC∞v
33 BH- boron monohydride anion 2ΠC∞v
34 BH+ boron monohydride cation 2ΣC∞v
35 AlH aluminum monohydride 1ΣC∞v
36 BH2 boron dihydride 2A1C2v
37 BH3 boron trihydride 1A1'D3h
38 BH4- borohydride anion 1A1Td
39 C Carbon atom 3P0Kh
40 Si Silicon atom 3PKh
41 CH Methylidyne 2Π1/2C∞v
42 CH- methylidyne anion 3ΣC∞v
43 CH+ Methylidyne cation 1ΣC∞v
44 SiH Silylidyne 2ΠC∞v
45 CH2 Methylene 3B1C2v
46 CH2 Methylene 1A1C2v
47 CH2- methylene anion 2B1C2v
48 CH2+ methylene cation 2A1C2v
49 SiH2 silicon dihydride 1A1C2v
50 SiH2 silicon dihydride 3B1C2v
51 CH3 Methyl radical 2A1D3h
52 CH3- methyl anion 1A1C3v
53 CH3+ methyl cation 1A1'D3h
54 SiH3 Silyl radical 2A1C3v
55 CH4 Methane 1A1Td
56 SiH4 Silane 1A1Td
57 P Phosphorus atom 4SKh
58 NH Imidogen 3Σ-C∞v
59 NH Imidogen 1Σ+C∞v
60 NH- Imidogen anion 2ΠC∞v
61 NH+ imidogen cation 2ΠC∞v
62 PH phosphorus monohydride 3Σ-C∞v
63 PH phosphorus monohydride 1ΔC∞v
64 ND2 Amidogen-d2 2B1C2v
65 NH2 Amino radical 2B1C2v
66 NH2- amino anion 1A1C2v
67 ND3 Ammonia-d3 1A1C3v
68 NH3 Ammonia 1A1C3v
69 NH3+ ammonia cation 2A2"D3h
70 PH3 Phosphine 1A1C3v
71 NH4+ ammonium cation 1A1Td
72 PH4+ phosphonium cation   
73 O Oxygen atom 3SKh
74 S Sulfur atom 3PKh
75 DO Hydroxyl-d 2ΠC∞v
76 OH Hydroxyl radical 2ΠC∞v
77 OH- hydroxide anion 1ΣC∞v
78 OH+ hydoxyl cation 3ΣC∞v
79 OH+ hydoxyl cation 1ΣC∞v
80 HS Mercapto radical 2ΠC∞v
81 D2O Deuterium oxide 1A1C2v
82 H2O Water 1A1C2v
83 H2O- water anion 2A1C2v
84 H2O+ water cation 2B1C2v
85 HDO Water-d1 1A1C2v
86 D2S Hydrogen sulfide-d2 1A1C2v
87 H2S Hydrogen sulfide 1A1C2v
88 H2S+ Hydrogen sulfide cation 2B1C2v
89 H3O+ hydronium cation 1A1C3v
90 H3S+ Sulfonium cation 1A1C3v
91 F Fluorine atom 2PKh
92 Cl Chlorine atom 2PKh
93 DF Hydrofluoric acid-d 1ΣC∞v
94 HF Hydrogen fluoride 1ΣC∞v
95 HF- hydrogen fluoride anion 2ΣC∞v
96 HF+ hydrogen fluoride cation 2ΠC∞v
97 HCl Hydrogen chloride 1ΣC∞v
98 HCl+ hydrogen chloride cation 2ΠC∞v
99 H2F+ dihydrogen fluoride cation 1A1C2v
100 H2Cl+ dihydrogen monochloride cation 1A1C2v
101 Ne Neon atom 1SKh
102 NeH+ neon hydrogen cation 1ΣC∞v
103 Li2 Lithium diatomic 1ΣgD∞v
104 Li2- lithium diatomic anion 2ΣuD∞h
105 Li2+ lithium diatomic cation 2ΣgD∞h
106 NaLi lithium sodium 1ΣC∞v
107 NaLi- lithium sodium anion 2ΣC∞v
108 NaLi+ lithium sodium cation 2ΣC∞v
109 Na2 Sodium diatomic 1ΣgD∞h
110 Na2- sodium diatomic anion 2ΣuD∞h
111 Na2+ sodium diatomic cation 2ΣgD∞h
112 Be2- Beryllium diatomic anion 2ΠuD∞h
113 Be2+ Beryllium diatomic cation 2ΣuD∞h
114 Mg2 Magnesium diatomic 1ΣgD∞h
115 Mg2- magnesium diatomic anion 2ΠUD∞h
116 Mg2+ magnesium diatomic cation 2ΣuD∞h
117 B2 Boron diatomic 3ΣgD∞h
118 B2 Boron diatomic 1ΣgD∞h
119 B2 Boron diatomic 5ΣuD∞h
120 B2- Boron diatomic anion 4ΣgD∞h
121 BAl Boron Aluminum 3ΣC∞v
122 B2H6 Diborane 1AgD2h
123 BC- boron monocarbide anion 3ΠuC∞v
124 BC- boron monocarbide anion 1Σg+C∞v
125 BC+ boron monocarbide cation 3ΣC∞v
126 BC+ boron monocarbide cation 1ΣC∞v
127 AlC Aluminum carbide 4ΣC∞v
128 C2 Carbon diatomic 1Σg+D∞h
129 C2 Carbon diatomic 3ΠuD∞h
130 C2- carbon diatomic anion 2ΣgD∞h
131 C2+ carbon diatomic cation 2ΠD∞h
132 SiC silicon monocarbide 3ΣC∞v
133 SiC silicon monocarbide 1ΣC∞v
134 Si2 Silicon diatomic 3ΣgD∞h
135 C2H Ethynyl radical 2ΣC∞v
136 C2H2 Acetylene 1ΣgD∞h
137 C2H2+ acetylene cation 2ΠuD∞h
138 CCH2 vinylidene 1A1C2v
139 C2H3 vinyl 2A'Cs
140 C2H4 Ethylene 1AgD2h
141 C2H5 Ethyl radical 2A'Cs
142 C2H6 Ethane 1A1gD3d
143 Si2H6 disilane 1EuD3d
144 BeN- Beryllium mononitride anion 1ΣC∞v
145 BN- boron nitride anion 2ΣC∞v
146 BN boron nitride 3ΠC∞v
147 BN boron nitride 1ΣC∞v
148 BN+ boron nitride cation 2ΠC∞v
149 AlN Aluminum nitride 3ΠiC∞v
150 CN Cyano radical 2ΣC∞v
151 CN- cyanide anion 1ΣC∞v
152 CN+ Cyano cation 1ΣC∞v
153 CP Carbon monophosphide 2ΣC∞v
154 SiN Silicon nitride 2ΣC∞v
155 SiP Silicon monophosphide 2ΠC∞v
156 N2 Nitrogen diatomic 1ΣgD∞h
157 N2- nitrogen diatomic anion 2ΠgD∞h
158 N2+ diatomic nitrogen cation 2ΣgD∞h
159 PN Phosphorus mononitride 1ΣC∞v
160 P2 Phosphorus diatomic 1ΣgD∞h
161 HNC hydrogen isocyanide 1ΣC∞v
162 HCN Hydrogen cyanide 1ΣC∞v
163 HCN+ hydrogen cyanide cation 2ΠC∞v
164 NNH Dinitrogen monohydride 2A'Cs
165 N2H2 (E)-diazene 1AgC2h
166 CH2NH Methanimine 1A'Cs
167 CH2PH Phosphaethene 1A'Cs
168 CH2NH2+ methyleneamine cation 1A1C2v
169 N2H4 Hydrazine 1AC2
170 CH3NH2 methyl amine 1A'Cs
171 BH3PH3 borane phosphine   
172 LiO lithium oxide 2ΣC∞v
173 LiO- lithium oxide anion 1ΣC∞v
174 LiO+ lithium oxide cation 3ΣC∞v
175 LiO+ lithium oxide cation 1ΣC∞v
176 LiS Lithium monosulfide 2ΠC∞v
177 NaO sodium monoxide 2ΣC∞v
178 NaO- sodium oxide anion 1ΣC∞v
179 NaO+ sodium oxide cation 3ΣC∞v
180 BeO beryllium oxide 1ΣC∞v
181 BeO- Beryllium monoxide anion 2ΣC∞v
182 BeO+ Beryllium monoxide cation 2ΠC∞v
183 BeS beryllium sulfide 1ΣC∞v
184 MgO magnesium oxide 1Σ+C∞v
185 MgO- magnesium oxide anion 2ΣC∞v
186 MgO+ magnesium oxide cation 2ΠC∞v
187 MgS magnesium sulfide 1ΣC∞v
188 CaS Calcium sulfide 1ΣC∞v
189 BO boron monoxide 2ΣC∞v
190 BO- boron monoxide anion 1ΣC∞v
191 AlO Aluminum monoxide 2ΣC∞v
192 BS boron sulfide 2ΣC∞v
193 AlS Aluminum sulfide 2ΣC∞v
194 BO+ boron monoxide cation 1ΣC∞v
195 CO Carbon monoxide 1ΣC∞v
196 CO- carbon monoxide anion 2ΠC∞v
197 CO+ carbon monoxide cation 2ΣC∞v
198 CS carbon monosulfide 1ΣC∞v
199 SiO Silicon monoxide 1ΣC∞v
200 SiS silicon monosulfide 1ΣC∞v
201 GeO Germanium monoxide 1ΣC∞v
202 SiSe Silicon Monoselenide   
203 NO Nitric oxide 2ΠC∞v
204 NO- nitric oxide anion 3ΣC∞v
205 NO- nitric oxide anion 1ΔC∞v
206 NO+ nitric oxide cation 1ΣC∞v
207 PO Phosphorus monoxide 2ΠC∞v
208 PS phosphorus sulfide 2ΣC∞v
209 O2 Oxygen diatomic 3ΣgD∞h
210 O2- oxygen diatomic anion 2ΠD∞h
211 O2+ diatomic oxygen cation 2ΠgD∞h
212 SO Sulfur monoxide 3ΣC∞v
213 S2 Sulfur diatomic 3ΣgD∞h
214 S2+ sulfur diatomic cation 2ΠD∞h
215 Se2 Selenium diatomic 3ΣgD∞h
216 LiOH lithium hydroxide 1ΣC∞v
217 NaOH sodium hydroxide 1ΣC∞v
218 BeOH beryllium monohydroxide 2A'Cs
219 MgOH magnesium hydroxide 2A'Cs
220 HBO Boron hydride oxide 1ΣC∞v
221 HCO Formyl radical 2A'Cs
222 HNO Nitrosyl hydride 1A'Cs
223 HO2 Hydroperoxy radical 2A"Cs
224 HSO+ Sulfur Monoxide, S-protonated   
225 SOH Sulfur Hydroxide   
226 SOH+ Sulfur Monoxide, protonated   
227 H2CO Formaldehyde 1A1C2v
228 H2CO+ formaldehyde cation 2B2C2v
229 H2CS Thioformaldehyde 1A1C2v
230 H2CSe Selenoformaldehyde   
231 H2O2 Hydrogen peroxide 1AC2
232 H2S2 Disulfane 1AC2
233 H2S2+ hydrogen disulfide cation 2BgC2h
234 CH2OH Hydroxymethyl radical 2AC1
235 CH2OH+ hydroxymethyl cation 1A'Cs
236 CH3O Methoxy radical 2A'C1
237 H2CSH+ Thioformaldehyde, protonated 1A'Cs
238 NH2OH hydroxylamine 1A'Cs
239 H2POH Phosphinous acid 1A1'CS trans
240 H2POH Phosphinous acid 1A1'CS cis
241 H3PO Phosphine oxide 1A1C3v
242 CH3OH Methyl alcohol 1A'Cs
243 CH3SH Methanethiol 1A'Cs
244 CH3SH2+ protonated methylsulfide 1A'Cs
245 LiF lithium fluoride 1ΣC∞v
246 LiCl lithium chloride 1ΣC∞v
247 NaF sodium fluoride 1ΣC∞v
248 NaF- sodium fluoride anion 2ΣC∞v
249 NaF+ sodium fluoride cation 2ΣC∞v
250 LiF- lithium fluoride anion 2ΣC∞v
251 LiF+ lithium fluoride cation 2ΠC∞v
252 BeF Beryllium monofluoride 2ΣC∞v
253 BeF- Beryllium monofluoride anion 1ΣC∞v
254 BeF+ Beryllium monofluoride cation 1ΣC∞v
255 MgF Magnesium monofluoride 2ΣC∞v
256 MgF- magnesium fluoride anion 1ΣC∞v
257 MgF+ magnesium fluoride cation 1ΣC∞v
258 BF Boron monofluoride 1ΣC∞v
259 BF- Boron monofluoride anion 2ΠC∞v
260 BF+ Boron monofluoride cation 2ΣC∞v
261 AlF Aluminum monofluoride 1Σ+C∞v
262 BCl boron monochloride 1ΣC∞v
263 AlCl Aluminum monochloride 1ΣC∞v
264 CF Fluoromethylidyne 2ΠC∞v
265 CF- carbon monofluoride anion 3ΣC∞v
266 CF- carbon monofluoride anion 1ΣC∞v
267 CF+ carbon monofluoride cation 1ΣC∞v
268 SiF silicon monofluoride 2ΠC∞v
269 SiF+ silicon monofluoride cation 1ΣC∞v
270 SiCl Clorosilylidyne 2ΠC∞v
271 NF nitrogen fluoride 3ΣC∞v
272 NF nitrogen fluoride 1ΣC∞v
273 NF- nitrogen monofluorine anion 2ΠC∞v
274 NF+ nitrogen monofluoirde cation 2ΠC∞v
275 NCl nitrogen monochloride 3ΣC∞v
276 PF phosphorus monofluoride 3ΣC∞v
277 FO Oxygen monofluoride 2ΠC∞v
278 FO- flourine oxide anion 1ΣC∞v
279 FO+ fluorine monoxide cation 3ΣC∞v
280 ClO Monochlorine monoxide 2ΠC∞v
281 SF Monosulfur monofluoride 2ΠC∞v
282 SF+ sulfur monofluoride cation 3ΣC∞v
283 SCl sulfur monochloride 2ΠC∞v
284 SCl+ sulfur monochloride cation 3ΣgC∞v
285 SBr Sulfur monobromide radical   
286 F2 Fluorine diatomic 1ΣgD∞h
287 F2- flourine diatomic anion 2ΣuD∞h
288 F2+ flourine diatomic cation 2ΠgD∞h
289 ClF Chlorine monofluoride 1Σ+C∞v
290 Cl2 Chlorine diatomic 1ΣgD∞h
291 Cl2- chlorine diatomic anion 2ΣuD∞h
292 Cl2+ chlorine diatomic cation 2ΠgD∞h
293 HCF Fluoromethylene 1A'Cs
294 HOF Hypofluorous acid 1A'Cs
295 HOCl hypochlorous acid 1A'Cs
296 CH2Cl chloromethyl radical 2A'Cs
297 H2F2 Hydrogen fluoride dimer 1AgCs
298 CH3F Methyl fluoride 1A1C3v
299 CH3Cl Methyl chloride 1A1C3v
300 SiH3Cl chlorosilane 1A1C1
301 C3 carbon trimer 1ΣgD∞h
302 C3H3 Propargyl radical 2B1Cs
303 CH2CCH2 allene 1A1D2d
304 CH3CCH propyne 1A'C3v
305 C3H6 Cyclopropane 1A1'D3h
306 CH2CHCH3 Propene 1A'Cs
307 C3H7 n-Propyl radical 2A"C1
308 C3H8 Propane 1A1C2v
309 Si3H8 trisilane   
310 HN3 hydrogen azide 1A'Cs
311 CH2NN diazomethane 1A1C2v
312 CH3CN Acetonitrile 1A1C3v
313 CH3NC methyl isocyanide 1A1C3v
314 NHCHNH2 aminomethanimine 1AC1
315 C2H5N Aziridine 1A'C1
316 CH3CH2NH2 Ethylamine 1A'Cs
317 CH3NHCH3 Dimethylamine 1A'Cs
318 Li2O dilithium oxide 1ΣgD∞h
319 Li2S dilithium sulfide 1ΣGD∞h
320 Li2S dilithium sulfide 1A1C2v
321 BO2 Boron dioxide 2A'D∞h
322 N2O Nitrous oxide 1ΣC∞v
323 NNS Nitrogen sulfide 1ΣC∞v
324 CO2 Carbon dioxide 1ΣgD∞h
325 OCS Carbonyl sulfide 1ΣC∞v
326 CS2 Carbon disulfide 1ΣgD∞h
327 SiS2 Silicon disulfide 1ΣGD∞h
328 NO2 Nitrogen dioxide 2A1C2v
329 NSO sulfinyl amidogen   
330 O3 Ozone 1A1Cs
331 SO2 Sulfur dioxide 1A1C2v
332 S3 Sulfur trimer 1A1C2v
333 S3 Sulfur trimer   
334 S3+ Sulfur trimer cation 2B2C2v
335 HCCO ketenyl radical 2A"Cs
336 HCNO fulminic acid 1ΣC∞v
337 HNCO Isocyanic acid 1A'Cs
338 HOCN cyanic acid 1A'Cs
339 HCO2- formate anion 1A1C2v
340 HOCO Hydrocarboxyl radical 1A'cis
341 HOCO Hydrocarboxyl radical 1A'trans
342 HNO2 Nitrous acid 1A'Cs
343 CH2CO Ketene 1A1C2v
344 HCCOH ethynol 1A'Cs
345 CH2CS Thioketene   
346 CH2O2 Dioxirane 1A1C2v
347 HCOOH Formic acid 1A'Cs
348 HSSSH trisulfane 1AC2
349 HSSSH trisulfane 1A'Cs
350 CH3CO Acetyl radical 2A'Cs
351 CHONH2 formamide 1A'Planar
352 CH3OO methylperoxy radical 2A"Cs
353 C2H4O Ethylene oxide 1A1C2v
354 CH2CHOH ethenol 1A'Cs
355 CH3CHO Acetaldehyde 1A'Cs
356 C2H4S Thiirane 1A1C2v
357 CH3CHS Thioacetaldehyde 1A'C1
358 CH3SSH Hydrogen methyl disulfide   
359 CH3CH2OH Ethanol 1A'Cs
360 CH3OCH3 Dimethyl ether 1A1C2v
361 CH3CH2SH ethanethiol 1A'Cs
362 FCN Cyanogen fluoride 1ΣC∞v
363 ClCN chlorocyanogen 1ΣC∞v
364 FNO Nitrosyl fluoride 1A'Cs
365 FNS Thionitrosyl fluoride 1A'Cs
366 FSN Thiazyl fluoride 1A'Cs
367 OPCl Phosphorus oxychloride   
368 CF2 Difluoromethylene 1A1D∞h
369 GeCl2 Germanium dichloride 1A1C2v
370 FOO Dioxygen monofluoride radical 2A"Cs
371 OClO Chlorine dioxide 2B1D∞h
372 ClSO Sulfur chloride oxide 2A"Cs
373 NF2 Difluoroamino radical 2B1C2v
374 FClO chlorosyl fluoride 1A'Cs
375 F2O Difluorine monoxide 1A1C2v
376 ClOF Chlorine hypofluorite 1A'Cs
377 SF2 sulfur difluoride 1A1C2v
378 SCl2 Sulfur dichloride 1A1C2v
379 SeCl2 Selenium Dichloride   
380 SBr2 Sulfur dibromide   
381 SeBr2 Selenium dibromide   
382 HCCF Fluoroacetylene 1ΣC∞v
383 HFCO formyl fluoride 1A'Cs
384 BHF2 Difluoroborane 1A1C2v
385 CH2F2 Methane, difluoro- 1A1C2v
386 CH2Cl2 Methylene chloride 1A1C2v
387 SiH2Cl2 dichlorosilane 1A1C2v
388 CH2CHF Ethene, fluoro- 1A'Cs
389 C2H5F fluoroethane 1A'Cs
390 C4 Carbon tetramer 3ΣgD∞h
391 C4H2 Diacetylene 1ΣgD∞h
392 C2H3CCH 1-Buten-3-yne 1A'C1
393 H2CCCCH2 Butatriene 1AgD2h
394 C4H6 1-Methylcyclopropene 1AC1
395 C4H6 Cyclobutene 1A1C2v
396 C4H6 Methylenecyclopropane 1A1C2v
397 CH2CCHCH3 1,2-Butadiene 1A'C1
398 CH2CHCHCH2 1,3-Butadiene 1AgC2h
399 CH3CCCH3 2-Butyne 1A1'D3h
400 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
401 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
402 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
403 C(CH3)3 Tert-butyl radical 2A"C3v
404 CH2CH(CH3)2 Isobutyl radical 2A'C1
405 CH3CHCH2CH3 2-Butyl radical 1AC1
406 CH3CH(CH3)CH3 Isobutane 1A1C3v
407 CH3CH2CH2CH3 Butane 1AgAnti
408 C2N2 Cyanogen 1ΣgD∞h
409 HCCCN Cyanoacetylene 1ΣC∞v
410 C3H3N acrylonitrile 1A'Cs
411 C3H7N Cyclopropylamine 1A'C1
412 C4H8 cyclobutane 1A1D2d
413 C2H8N2 Ethylenediamine 1AgC2h
414 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
415 N(CH3)3 Trimethylamine 1A1C3v
416 B2O2 Diboron dioxide 1ΣgD∞h
417 S2N2 Disulfur dinitride 1AGD2h
418 CO3-- carbonate 1A1'D3h
419 CS3-- Carbonotrithioate   
420 NO3 Nitrogen trioxide 2A1'all bonds equal
421 SO3 Sulfur trioxide 1A1'D3h
422 S4 Sulfur tetramer   
423 S4 Sulfur tetramer   
424 S4 Sulfur tetramer   
425 HNO3 Nitric acid 1A'Cs
426 C2H2O2 Ethanedial 1AgC2h
427 CH3COO- acetate anion 1A'eclipsed
428 CH3NO2 Methane, nitro- 1A'Cs
429 CH3ONO Methyl nitrite 1A'C1
430 H3AlO3 Aluminum hydroxide   
431 C3H4O allenol 1A'Cs
432 C3H4O Cyclopropanone 1A1C2v
433 CH2CHCHO Acrolein 1A'Cs
434 NH2CONH2 Urea 1AC2
435 CH3COOH Acetic acid 1A'Cs
436 CH3OCHO methyl formate 1A'Cs
437 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
438 CH3CHNOH Acetaldoxime 1A'CS trans
439 CH3CONH2 Acetamide 1A'C1
440 CH3CSNH2 Ethanethioamide   
441 C3H6O Propylene oxide 1AC1
442 CH3CH2CHO Propanal 1A'Cs
443 CH3COCH3 Acetone 1A1C2v
444 C2H6O2 1,2-Ethanediol 1AgC2h
445 C3H7OH 1-Propanol 1A'Cs
446 CH3CHOHCH3 Isopropyl alcohol 1AC1
447 CH3OC2H5 Ethane, methoxy- 1A'Cs
448 C2F2 difluoroacetylene 1ΣgD∞h
449 N2F2 (Z)-Difluorodiazene 1A1C2v
450 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
451 CF2O Carbonic difluoride 1A1C2v
452 Cl2CS Thiophosgene 1A1C2v
453 BF3 Borane, trifluoro- 1A'D3h
454 AlF3 Aluminum trifluoride 1A1'D3h
455 CF3 Trifluoromethyl radical 2A1C3v
456 ClO2F Chloryl fluoride 1A'Cs
457 F2SO Thionyl Fluoride 1A'Cs
458 FSSF Difluorodisulfane 1AC2
459 S2F2 Thio-thionyl fluoride 1A'Cs
460 SSCl2 Thiothionyl chloride   
461 NF3 Nitrogen trifluoride 1A1C3v
462 SF3 Sulfur trifluoride 2A'Cs
463 ClF3 Chlorine trifluoride 1A1'D3h
464 ClF3 Chlorine trifluoride 1A1C2v
465 HClO3 Chloric Acid 1AC1
466 CHF3 Methane, trifluoro- 1A1C3v
467 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
468 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
469 CH3COF Acetyl fluoride 1A'NULL
470 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
471 C5H5- cylopentadienyl anion 1A1'D5h
472 C5H6 1,3-Cyclopentadiene 1A1C2v
473 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
474 C5H6 3-Penten-1-yne, (E)- 1A'Cs
475 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
476 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
477 C5H6 Cyclopropylacetylene 1A'C1
478 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
479 C5H8 1,2-Pentadiene 1A'C1
480 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
481 C5H8 1,3-Pentadiene, (E)- 1A'C1
482 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
483 C5H8 1,4-Pentadiene 1AC2
484 C5H8 2,3-Pentadiene 1AC1
485 C5H8 Cyclobutane, methylene- 1A'Cs
486 C5H8 Cyclopentene 1A'Cs
487 C5H10 1-Butene, 2-methyl- 1AC1
488 C5H10 2-Butene, 2-methyl- 1A'Cs
489 C5H10 2-Pentene, (E)- 1A'Cs
490 C5H10 2-Pentene, (Z)- 1AC1
491 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
492 CH2CHCH2CH2CH3 1-pentene 1AC1
493 C5H11 2-Methylbut-2-yl radical 1AC1
494 C5H12 Butane, 2-methyl- 1AC1
495 C5H12 Pentane 1A1C2v
496 C5H12 Propane, 2,2-dimethyl- 1A1Td
497 N2O3 Dinitrogen trioxide 1A'Cs
498 C3H2N2 Malononitrile 1A1Cs
499 C3H4N2 1H-Imidazole 1A'Cs
500 C3H4N2 1H-Pyrazole 1A'Cs
501 C4H5N (E)-2-Butenenitrile 1A'Cs
502 C4H5N (Z)-2-Butenenitrile 1A'Cs
503 C4H5N Cyclopropanecarbonitrile 1A'Cs
504 C4H5N Pyrrole 1A1C2v
505 C3H6N2 3-Aminopropionitrile 1A'Cs
506 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
507 C5H8 Spiropentane 1A1D2d
508 C4H9N Cyclobutylamine 1A'Cs
509 C4H9N Pyrrolidine 1A'Cs
510 C3H10N2 1,2-Diaminopropane 1AC1
511 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
512 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
513 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
514 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
515 C3O2 Carbon suboxide 1ΣGD∞h
516 C3H3NO Isoxazole 1A'Cs
517 CH3NO3 Methyl nitrate 1A'Cs
518 C4H4O Furan 1A1C2
519 C3H4O2 β–Propiolactone 1A'Cs
520 C3H4O2 2-Propenoic acid 1A'Cs
521 C3H4O2 propanedial 1AC1
522 C3H4O2 propenalol 1A'Cs
523 CH2CHCONH2 Acrylamide 1ACs
524 CH3OCH2CN Methoxyacetonitrile 1A'Cs
525 H2NCH2COOH Glycine 1A'Cs
526 C4H6O cis-2-butenal 1ACs
527 C4H6O Cyclobutanone 1A1C2v
528 C4H6O Furan, 2,3-dihydro- 1AC1
529 C4H6O Furan, 2,5-dihydro- 1A1Cs
530 CH2CHOCHCH2 Vinyl ether 1A1C2v
531 CHOCHCHCH3 2-Butenal 1A'Cs
532 C2H6N2O Urea, methyl- 1AC1
533 C3H6O2 1,3-Dioxolane 1AC1
534 CH3COOCH3 methyl acetate 1A'Cs
535 C2H6O2S Dimethyl sulfone 1A1C2v
536 C3H7NO Propanamide 1A'C1
537 C2H3OC2H5 Ethene, ethoxy- 1AC1
538 C4H8O Cyclobutanol 1A'C1
539 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
540 CH3COCH2CH3 2-Butanone 1AC1
541 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
542 CHOCH2CH2CH3 Butanal 1A'Cs
543 C3H8O2 1,3-Propanediol 1A1C1
544 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
545 C3H8O2 Methane, dimethoxy- 1AC2
546 C3H8O2 Propylene glycol 1AC1
547 C4H10O 1-Propanol, 2-methyl- 1AC1
548 C4H10O 2-Butanol, (.+/-.)- 1AC1
549 C4H10O Ethanol, 1,1-dimethyl- 1AC1
550 C4H10O Ethoxy ethane 1A1C2v
551 C4H10O Propane, 2-methoxy- 1A'Cs
552 FNO3 Fluorine nitrate 1A'Cs
553 BF4- tetrafluoroboron anion 1A1Td
554 F3NO Nitrogen trifluoride oxide 1A1C3v
555 CF4 Carbon tetrafluoride 1A1Td
556 CF2Cl2 difluorodichloromethane 1A1C2v
557 SF4 Sulfur tetrafluoride 1A1C2v
558 C2HF3 Trifluoroethylene 1A'Cs
559 HClO4 perchloric acid 1ACs
560 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
561 SiH3CCl3 (trichloromethyl)silane 1A1C3v
562 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
563 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
564 C6H5 phenyl 2A1C2v
565 C6H6 2,4-Hexadiyne 1A1'D3h
566 C6H6 Benzene 1A1gD6h
567 C6H8 (E)-hexa-1,3,5-triene 1AgCs
568 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
569 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
570 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
571 C6H8 1,4-Cyclohexadiene 1AgC2v
572 C6H8 3-Methylenecyclopentene 1AC1
573 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
574 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
575 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
576 C6H10 1,3-Hexadiene, (E)- 1A'Cs
577 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
578 C6H10 1,4-Hexadiene, (E)- 1AC1
579 C6H10 1,4-Hexadiene, (Z)- 1AC1
580 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
581 C6H10 1-Hexyne 1A'Cs
582 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
583 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
584 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
585 C6H10 2-Hexyne 1A'C1
586 C6H10 3-Hexyne 1A1C2v
587 C6H10 Cyclopentene, 1-methyl- 1AC1
588 C6H10 Cyclopentene, 3-methyl- 1AC1
589 C6H10 Cyclopentene, 4-methyl- 1AC1
590 C6H12 (E)-3-methylpent-2-ene 1AC1
591 C6H12 (Z)-3-methylpent-2-ene 1AC1
592 C6H12 3-methylenepentane 1AC1
593 C6H12 Cyclohexane 1A1gChair
594 C6H12 Cyclopentane, methyl- 1AC1
595 C6H12 Ethylcyclobutane 1AC1
596 C6H12 hex-1-ene 1A'Cs
597 C6H14 Butane, 2,2-dimethyl- 1A'C1
598 C6H14 Butane, 2,3-dimethyl- 1AgC2h
599 C6H14 Hexane 1AgC2h
600 C6H14 Pentane, 2-methyl- 1AC1
601 C6H14 Pentane, 3-methyl- 1A'Cs
602 C4N2 2-Butynedinitrile 1ΣgD∞h
603 CH3N5 5-Aminotetrazole 1AC1
604 C4H4N2 1,3-Diazine 1A1C2v
605 C4H4N2 Pyrazine 1AgD2h
606 C4H4N2 Pyridazine 1A1C2v
607 C4H4N2 Succinonitrile 1AgC2h
608 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
609 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
610 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
611 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
612 C5H5N Pyridine 1A1C2v
613 C6H6 Fulvene 1A1C2v
614 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
615 C5H7N (E)-2-Pentenenitrile 1A'Cs
616 C5H7N (E)-3-Pentenenitrile 1AC1
617 C5H7N (Z)-2-Pentenenitrile 1AC1
618 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
619 C5H7N Cyclobutanecarbonitrile 1A'Cs
620 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
621 C5H9N Butanenitrile, 2-methyl- 1AC1
622 C5H9N Pentanenitrile 1A'Cs
623 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
624 C5H11N Cyclopentanamine 1A'Cs
625 C5H11N Piperidine 1A'NH equatorial
626 C5H11N Piperidine 1A'NH axial
627 C4H12N2 1,2-Butanediamine 1AC1
628 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
629 N2O4 Dinitrogen tetroxide 1AgD2d
630 C2H3NO3 Oxamic acid 1A'H out
631 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
632 C2H4N2O2 Oxalamide 1AgC2h
633 C4H5NO 3-Methylisoxazole 1AC1
634 C4H5NO Isoxazole, 5-methyl- 1AC1
635 C4H6O2 2-Propenoic acid, methyl ester 1AC1
636 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
637 C2H6N2O2 Dimethylnitroamine 1AC1
638 C3H6O3 1,3,5-Trioxane 1A1C1
639 C4H7NO 2-Pyrrolidinone 1AC1
640 C4H7NO Methacrylamide 1AC1
641 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
642 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
643 CH3CH(NH2)COOH Alanine 1AC1
644 CH3NHCH2COOH Sarcosine 1AC1
645 NH2CH2CH2COOH β–alanine 1AC1
646 NH2COOC2H5 Urethane 1AC1
647 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
648 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
649 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
650 NH2CONHC2H5 Urea, ethyl- 1AC1
651 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
652 C4H8O2 1,4-Dioxane 1AgC2h
653 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
654 C3H8O3 1,2,3-Propanetriol 1AC1
655 C4H9NO Butanamide 1AC1
656 C4H9NO Propanamide, 2-methyl- 1AC1
657 C5H10O 2-Butanone, 3-methyl- 1AC1
658 C5H10O 2H-Pyran, tetrahydro- 1A'C1
659 C5H10O 3-Pentanone 1A1C2v
660 C5H10O Cyclopentanol 1AC1
661 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
662 C5H10O Pentanal 1A'C1
663 C4H10O2 1,1-Dimethoxyethane 1A'Cs
664 C4H10O2 1,3-Butanediol 1AC1
665 C4H10O2 1,4-Butanediol 1AgC2h
666 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
667 C4H11NO Diethylhydroxylamine 1A'Cs
668 C5H12O 1-Butanol, 2-methyl- 1AC1
669 C5H12O 1-Butanol, 3-methyl- 1A'Cs
670 C5H12O 1-Pentanol 1A'Cs
671 C5H12O 2-Butanol, 3-methyl- 1AC1
672 C5H12O 2-Pentanol 1AC1
673 C5H12O 3-Pentanol 1AC1
674 C5H12O Butane, 1-methoxy- 1A'Cs
675 C5H12O Propane, 1-ethoxy- 1A'Cs
676 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
677 CF3CN Acetonitrile, trifluoro- 1A1C3v
678 B2F4 Diboron tetrafluoride 1A1D2d
679 C2F4 Tetrafluoroethylene 1AgD2h
680 CF3OF Trifluoromethylhypofluorite 1A'Cs
681 SiF5- silicon pentafluoride anion   
682 SOF4 Sulfur tetrafluoride oxide 1A1C2v
683 PF5 Phosphorus pentafluoride 1A1'D3h
684 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
685 C6H5CH2 benzyl radical 2B1Cs
686 C6H5CH3 toluene 1A'Cs
687 C7H12 Norbornane 1A1C2v
688 C7H16 2-methylhexane 1AC1
689 C7H16 heptane 1A1C2v
690 C6H5NH2 aniline 1A'Cs
691 C6H5OH phenol 1A'Cs
692 C6H10O cyclohexanone 1A'Cs
693 PF6- Hexafluorophosphate ion 1A1GOh
694 SF5Cl sulfur chloropentafluoride 1A1C4v
695 C6H5CCH phenylacetylene 1A1C2v
696 C6H5CHCH2 Styrene 1A'Cs
697 C8H8 cubane 1A1GOh
698 C8H8 cyclooctatetraene 1A1D2d
699 C6H5CH2CH3 Ethylbenzene 1A'Cs
700 C6H5CN phenyl cyanide 1A1C2v
701 C6H5CHO benzaldehyde 1A'Cs
702 C6H5OCH3 Anisole 1A'Cs
703 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
704 C2F6 hexafluoroethane 1A1gD3d
705 C6H5NO2 Nitrobenzene 1A1C2v
706 C6H5COOH benzoic acid 1A'Cs
707 C10H8 naphthalene 1AgD2h
708 C10H16 adamantane 1A1Td
709 C12H10 biphenyl 1AD2

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 Li- Lithium atom anion li-  
8 Li+ Lithium atom cation li+  
9 Na- Sodium atom anion na-  
10 K Potassium atom k  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 KH Potassium hydride kh  
17 KH+ Potassium hydrogen cation kh+  
18 CuH Copper monohydride cuh  
19 Be- Beryllium atom anion be-  
20 Be+ Beryllium atom cation be+  
21 Mg- Magnesium atom anion mg-  
22 Mg+ Magnesium atom cation mg+  
23 Ca Calcium atom ca  
24 Ca- Calcium atom anion ca-  
25 Ca+ Calcium atom cation ca+  
26 Zn Zinc atom zn  
27 Zn- Zinc atom anion zn-  
28 Zn+ Zinc atom cation zn+  
29 CaH Calcium monohydride cah  
30 CaH+ Calcium monohydride cation cah+  
31 TiH Titanium monohydride tih  
32 ZnH Zinc monohydride znh  
33 ZnH+ Zinc, protonated znh+  
34 BeH2+ Beryllium dihydride cation beh2+  
35 CaH2 Calcium Hydride cah2  
36 ZnH2 Zinc hydride znh2  
37 B- Boron atom anion b-  
38 B+ Boron atom cation b+  
39 Al Aluminum atom al  
40 Al- Aluminum atom anion al-  
41 Al+ Aluminum atom cation al+  
42 Sc Scandium atom sc  
43 Sc+ Scandium cation sc+  
44 Ga Gallium atom ga  
45 Ga- Gallium atom anion ga-  
46 Ga+ Gallium atom cation ga+  
47 AlH- aluminum monohydride anion alh-  
48 AlH+ aluminum monohydride cation alh+  
49 ScH Scandium monohydride sch  
50 ScH+ Scandium monohydride cation sch+  
51 GaH Gallium monohydride gah  
52 GaH+ Gallium monohydride cation gah+  
53 BH2- boron dihydride anion bh2-  
54 BH2+ Boron dihydride cation bh2+  
55 AlH2 aluminum dihydride alh2  
56 AlH2- aluminum dihydride anion alh2-  
57 AlH2+ aluminum dihydride cation alh2+  
58 BH3- boron trihydride anion bh3-  
59 AlH3 aluminum trihydride alh3  
60 AlH3- aluminum trihydride anion alh3-  
61 AlH3+ aluminum trihydride cation alh3+  
62 ScH3 Scandium trihydride sch3  
63 GaH3 Gallium trihydride gah3  
64 BH4 borohydride bh4  
65 AlH4- Aluminum tetrahydride anion alh4-  
66 C- Carbon atom anion c-  
67 C+ Carbon atom cation c+  
68 Si- Silicon atom anion si-  
69 Si+ Silicon atom cation si+  
70 Ti Titanium atom ti  
71 Ti- Titanium atom anion ti-  
72 Ti+ Titanium atom cation ti+  
73 Ge Germanium atom ge  
74 Ge- Germanium anion ge-  
75 Ge+ Germanium cation ge+  
76 Sn Tin atom sn  
77 Sn+ Tin cation sn+  
78 SiH- silicon monohydride anion sih-  
79 SiH+ silicon monohydride cation sih+  
80 GeH germylidene geh  
81 GeH+ Germaniun monohyrdide cation geh+  
82 SiH2- silicon dihydride anion sih2-  
83 SiH2+ silicon dihydride cation sih2+  
84 GeH2 germylene geh2  
85 GeH2- germylene anion geh2-  
86 SiH3- Silyl anion sih3-  
87 SiH3+ Silyl cation sih3+  
88 GeH3 Germyl radical geh3  
89 GeH3+ germyl cation geh3+  
90 CD4 methane-d4 cd4  
91 CH2D2 methane-d2 ch2d2  
92 CH3D methane-d ch3d  
93 CH4- Methane anion ch4-  
94 CHD3 methane-d3 chd3  
95 SiH2D2 silane-d2 sih2d2  
96 SiH4+ Silane cation sih4+  
97 GeH4 Germane geh4  
98 SnH4 Stannane snh4  
99 SiH5+ Silane, protonated sih5+  
100 N Nitrogen atom n  
101 N- Nitrogen atom anion n-  
102 N+ Nitrogen atom cation n+  
103 P- Phosphorus atom anion p-  
104 P+ Phosphorus atom cation p+  
105 V Vanadium atom v  
106 V+ Vanadium atom cation v+  
107 As Arsenic atomic as  
108 As- Arsenic anion as-  
109 As+ Arsenic cation as+  
110 Sb Antimony atom sb  
111 PH- phosphorus monohydride anion ph-  
112 PH+ phosphorus monohydride cation ph+  
113 AsH Arsenic monohydride ash  
114 AsH+ Arsenic monohydride cation ash+  
115 SbH Antimony monohydride sbh  
116 NH2+ Amino cation nh2+  
117 PH2 Phosphino radical ph2  
118 PH2- Phosphino anion ph2-  
119 PH2+ Phosphino cation ph2+  
120 AsH2 Arsenic dihydride ash2  
121 AsH2+ Arsenic dihydride cation ash2+  
122 NH3- Ammonia anion nh3-  
123 PH3+ Phosphine cation ph3+  
124 AsH3 Arsine ash3  
125 AsH3+ Arsine cation ash3+  
126 SbH3 Stibine sbh3  
127 AsH4+ Arsonium ash4+  
128 NH4 Ammonium radical nh4  
129 PH4 Phosphoranyl radical ph4  
130 O- Oxygen atom anion o-  
131 O+ Oxygen atom cation o+  
132 S- Sulfur atom anion s-  
133 S+ Sulfur atom cation s+  
134 Cr Chromium atom cr  
135 Se Selenium atom se  
136 Se- Selenium atom anion se-  
137 Se+ Selenium atom cation se+  
138 Te Tellurium atom te  
139 Te+ Tellurium atom cation te+  
140 DS Mercapto-d ds  
141 HS- mercapto anion sh-  
142 HS+ sulfur monohydride cation sh+  
143 CrH Chromium hydride crh  
144 CrH+ Chromium hydride cation crh+  
145 HSe Selenium monohydride hse  
146 HSe- selenium monohydride anion hse-  
147 HSe+ selenium monohydride cation hse+  
148 TeH Telluryl radical teh  
149 H2S- Hydrogen sulfide anion h2s-  
150 H2Se Hydrogen selenide h2se  
151 H2Se+ Hydrogen selenide cation h2se+  
152 H2Te Hydrogen Telluride h2te  
153 H3Se+ Hydrogen Selenide, protonated h3se+  
154 F- Fluorine atom anion f-  
155 F+ Fluorine atom cation f+  
156 Cl- Chlorine atom anion cl-  
157 Cl+ Chlorine atom cation cl+  
158 Mn Manganese atom mn  
159 Br Bromine atom br  
160 Br- Bromine atom anion br-  
161 Br+ Bromine atom cation br+  
162 I Iodine atom iodine  
163 I- Iodine atom anion iodine-  
164 I+ Iodine atom cation iodine+  
165 DCl Hydrochloric acid-d dcl  
166 HCl- hydrogen chloride anion hcl-  
167 HBr hydrogen bromide hbr  
168 HBr- hydrogen bromide anion hbr-  
169 HBr+ hydrogen bromide cation hbr+  
170 HI Hydrogen iodide hi  
171 HI+ Hydrogen iodide cation hi+  
172 H2Br+ protonated hydrogen bromide h2br+  
173 H2I+ Iodonium h2i+  
174 Ne- Neon atom anion ne-  
175 Ne+ Neon atom cation ne+  
176 Ar Argon atom ar  
177 Ar- Argon atom anion ar-  
178 Ar+ Argon atom cation ar+  
179 Fe Iron atom fe  
180 Kr Krypton atom kr  
181 Kr+ Krypton cation kr+  
182 Xe Xenon atom xe  
183 HeLi+ Helium Lithium cation heli+  
184 NeH neon hydrogen neh  
185 ArH+ Argon hydride cation arh+  
186 KrH+ Protonated Krypton krh+  
187 XeH+ Xenon, protonated xeh+  
188 H2Ar H2 Ar dimer h2ar  
189 Co Cobalt atom cobalt  
190 Ni Nickel atom ni  
191 LiK Lithium Potassium lik  
192 NaK Sodium Potassium nak  
193 NaK+ Sodium Potassium diatomic cation nak+  
194 K2 Potassium diatomic k2  
195 Cu2 Copper diatomic cu2  
196 LiBe Lithium Beryllium libe  
197 LiMg Lithium magnesium limg  
198 NaBe Sodium Beryllium nabe  
199 NaMg Sodium Magnesium namg  
200 BeMg Beryllium Magnesium bemg  
201 Ca2 Calcium diatomic ca2  
202 LiB Lithium boride lib  
203 LiAl Lithium Aluminum lial  
204 NaAl Sodium aluminum naal  
205 BeB Beryllium monoboride beb  
206 B2+ Boron diatomic cation b2+  
207 Al2 Aluminum diatomic al2  
208 Al2- aluminum diatomic anion al2-  
209 Al2+ aluminum diatomic cation al2+  
210 BGa Boron Gallium bga  
211 AlGa Aluminum Gallium alga  
212 Ga2 Gallium diatomic ga2  
213 HBBH Diborane(2) hbbh  
214 LiBH4 Lithium borohydride libh4  
215 B2H4 Diborane(4) D2d b2h4  
216 HBHHBH Diborane(4) C2V hbhhbh  
217 B2H6+ Diborane cation b2h6  
218 Al2H6 dialane al2h6  
219 Ga2H6 digallane ga2h6  
220 LiC Lithium Carbide lic  
221 BeC Beryllium Carbide bec  
222 CaC Calcium monocarbide cac  
223 BC boron monocarbide bc  
224 BSi Boron silicide bsi  
225 C2+ carbon diatomic cation c2+  
226 SiC- silicon monocarbide anion sic-  
227 SiC+ silicon monocarbide cation sic+  
228 Si2- silcon diatomic anion si2-  
229 Si2+ silcon diatomic cation si2+  
230 GeC Germanium monocarbide gec  
231 SiGe Silicon Germanium sige  
232 Ge2 Germanium diatomic ge2  
233 ZnCH2 Zinc methylene znch2  
234 H2CC- vinylidene anion h2cc-  
235 HCCH- acetylene anion c2h2-  
236 Si2H2 disilyne si2h2  
237 CuCH3 monomethyl copper cuch3  
238 ZnCH3 Zinc monomethyl znch3  
239 CH2BH methyleneborane ch2bh  
240 C2H3- vinyl anion c2h3-  
241 CH2SiH2 silaethylene ch2sih2  
242 Si2H4 Disilene si2h4  
243 CH3BH2 methylborane ch3bh2  
244 C2H5- Ethyl anion c2h5-  
245 C2H5+ Ethyl cation c2h5+  
246 C2H6+ ethane cation c2h6+  
247 CH3SiH3 methyl silane ch3sih3  
248 GeH3CH3 methyl germane geh3ch3  
249 C2H7+ Ethane, protonated c2h7+  
250 LiP Lithium monophosphide lip  
251 BeN Beryllium mononitride ben  
252 BeN+ Beryllium mononitride cation ben+  
253 MgN Magnesium Nitride mgn  
254 AlN- aluminum mononitride anion aln-  
255 AlN+ aluminum mononitride cation aln+  
256 BP Boron monophosphide bp  
257 AlP Aluminum monophosphide alp  
258 GaN Gallium mononitride gan  
259 GaP Gallium monophosphide gap  
260 GaAs Gallium arsenide gaas  
261 CP- carbon monophosphide anion cp-  
262 CP+ carbon monophosphide cation cp+  
263 SiN- silicon mononitride anion sin-  
264 SiN+ silicon mononitride cation sin+  
265 SiP- Silicon monophosphide anion sip-  
266 SiP+ Silicon monophosphide cation sip+  
267 TiN Titanium mononitride tin  
268 PN- phosphorus nitride anion pn-  
269 PN+ phosphorus nitride cation pn+  
270 P2- phosphorus diatomic anion p2-  
271 P2+ phosphorus diatomic cation p2+  
272 AsN Arsenic mononitride asn  
273 AsP Arsenic monophosphide asp  
274 SbN Antimony nitride sbn  
275 As2 Arsenic diatomic as2  
276 HCN- Hydrogen cyanide anion hcn-  
277 HNC+ hydrogen isocyanide cation hnc+  
278 HCP Phosphaethyne hcp  
279 HCP+ Phosphaethyne cation hcp+  
280 NNH+ Dinitrogen monohydride cation nnh+  
281 HPO Hydrogen phosphorus oxide hpo  
282 HPO+ Hydrogen phosphorus oxide cation hpo+  
283 LiNH2 lithium amide linh2  
284 HBNH Boranimine hbnh  
285 CNH2 Aminomethylidyne radical cnh2  
286 CNH2+ N-protonated hydrogen isocyanide cnh2+  
287 H2CN Dihydrogen cyanide radical h2cn  
288 H2CN+ hydrocyanonium cation h2cn+  
289 HCNH methyleneazane hcnh  
290 HCNH+ N-protonated HCN hcnh+  
291 H2NN Isodiazene h2nn  
292 N2H2 (Z)-Diazene n2h2z  
293 N2H2+ trans-diazene cation n2h2+  
294 CH2NH+ Methanimine cation ch2nh+  
295 CHNH2 aminomethylene chnh2  
296 CHNH2+ Aminocarbene cation chnh2+  
297 BH2NH2 Boranamine bh2nh2  
298 N2H4+ hydrazine cation n2h4+  
299 P2H4 Diphosphine p2h4  
300 CH3NH2+ methyl amine cation ch3nh2+  
301 CH3PH2 Methyl phosphine ch3ph2  
302 SiH3NH2 Silane, amino sih3nh2  
303 N2H5+ protonated hydrazine n2h5+  
304 CH3NH3 methyl ammonium radical ch3nh3  
305 CH3PH3+ methyl phosphine, protonated ch3ph3+  
306 NH3NH3 Ammonia Dimer nh3nh3  
307 N2H7+ ammonia ammonium dimer n2h7+  
308 LiS+ Lithium sulfide cation lis+  
309 KO Potassium monoxide ko  
310 KO+ Potassium monoxide cation ko+  
311 NaS Sodium sulfide nas  
312 CuO Copper Monoxide cuo  
313 LiSe Lithium monoselenide lise  
314 CaO Calcium monoxide cao  
315 MgS- magnesium sulfide anion mgs-  
316 MgS+ magnesium sulfide cation mgs+  
317 ZnO zinc monoxide zno  
318 ZnS Zinc sulfide zns  
319 BeS- Beryllium monosulfide anion bes-  
320 BeS+ Beryllium monosulfide cation bes+  
321 AlO- Aluminum monoxide anion alo-  
322 AlO+ aluminum monoxide cation alo+  
323 BS- boron monosulfide anion bs-  
324 BS+ boron monosulfide cation bs+  
325 AlS- aluminum monosulfide anion als-  
326 AlS+ aluminum monosulfide cation als+  
327 ScO Scandium monoxide sco  
328 GaO Gallium monoxide gao  
329 GaS Gallium monosulfide gas  
330 CS- carbon monosulfide anion cs-  
331 CS+ carbon monosulfide cation cs+  
332 SiO- silicon monoxide anion sio-  
333 SiO+ silicon monoxide cation sio+  
334 SiS- silicon monosulfide anion sis-  
335 SiS+ silicon monosulfide cation sis+  
336 TiO Titanium monoxide tio  
337 CSe Carbon monoselenide cse  
338 CSe- Carbon monoselenide anion cse-  
339 CSe+ Carbon monoselenide cation cse+  
340 GeO+ Germanium monoxide cation geo+  
341 GeS Germanium monosulfide ges  
342 SiSe+ Silicon Monoselenide cation sise+  
343 GeSe Germanium monoselenide gese  
344 NS Mononitrogen monosulfide ns  
345 NS- nitrogen sulfide anion ns-  
346 NS+ nitrogen sulfide cation ns+  
347 PO- phosphorus monoxide anion po-  
348 PO+ phosphorus monoxide cation po+  
349 PS- phosphorus monosulfide anion ps-  
350 PS+ phosphorus monosulfide cation ps+  
351 VO Vanadium monoxide vo  
352 AsO Arsenic monoxide aso  
353 NSe Nitrogen monoselenide nse  
354 AsS Arsenic monosulfide ass  
355 PSe Phosphorus monoselenide pse  
356 AsSe Arsenic monoselenide asse  
357 O2-- dioxygen dianion o2--  
358 SO- sulfur monoxide anion so-  
359 SO+ sulfur monoxide cation so+  
360 S2- sulfur diatomic anion s2-  
361 SeO Selenium monoxide seo  
362 SeO- selenium monoxide anion seo-  
363 SeO+ selenium monoxide cation seo+  
364 SeS Selenium monosulfide ses  
365 SeS- selenium monosulfide anion ses-  
366 SeS+ selenium monosulfide cation ses+  
367 TeO Tellurium monoxide teo  
368 Se2- selenium diatomic anion se2-  
369 Se2+ selenium diatomic cation se2+  
370 Te2 Tellurium diatomic te2  
371 KOH Potassium hydroxide koh  
372 CaOH Calcium monohydroxide caoh  
373 HBS hydrogen boron sulfide hbs  
374 COH Hydroxymethylidyne coh  
375 COH+ Carbon Monoxide, protonated coh+  
376 HCO- formyl anion hco-  
377 HCS Thioformyl radical hcs  
378 HCS- Thioformyl anion hcs-  
379 HCS+ Thioformyl cation hcs+  
380 NOH Hydroxyimidogen noh  
381 NOH+ O-protonated nitric oxide noh+  
382 HNS Sulfur imide hns  
383 HNS- Sulfur imide anion hns-  
384 HO2+ Hydroperoxy cation ho2+  
385 HS2 Thiosulfeno radical hs2  
386 H2CO- formaldehyde anion h2co-  
387 HOCH hydroxycarbene hoch  
388 H2CS- thioformaldehyde anion h2cs-  
389 H2CS+ thioformaldehyde cation h2cs+  
390 H2NO nitroxide h2no  
391 H2O2+ Hydrogen peroxide cation h2o2+  
392 H2OO water oxide h2oo  
393 HOSH hydrogen thioperoxide hosh  
394 H2Se2 hydrogen diselenide h2se2  
395 CH3O- methoxy anion ch3o-  
396 CH3O+ Methoxy cation ch3o+  
397 CH3S thiomethoxy ch3s  
398 NH2OH+ Hydroxylamine cation nh2oh+  
399 NH3O Ammonia Oxide nh3o  
400 NH2SH Thiohydroxylamine nh2sh  
401 NH3S sulfidoazane nh3s  
402 H3O2+ hydrogen peroxide, protonated h3o2+  
403 CH3OH- Methyl alcohol anion ch3oh-  
404 CH3OH+ Methyl alcohol cation ch3oh+  
405 CH3SH+ Methanethiol cation ch3sh+  
406 SiH3OH silanol sih3oh  
407 CH3SeH Methane selenol ch3seh  
408 NH2OH2+ protonated hydroxylamine nh2oh2+  
409 NH3OH+ N-protonated hydroxylamine nh3oh+  
410 H2OH2O water dimer h2oh2o  
411 CH3OH2+ Methanol, protonated ch3oh2+  
412 H2ONH3 Water Ammonia Dimer h2onh3  
413 H5O2+ Dihydroxonium ion h5o2+  
414 LiCl- lithium chloride anion licl-  
415 LiCl+ lithium chloride cation licl+  
416 KF Potassium Fluoride kf  
417 NaCl Sodium Chloride nacl  
418 NaCl- sodium chloride anion nacl-  
419 NaCl+ sodium chloride cation nacl+  
420 KCl Potassium Chloride kcl  
421 CuF Copper monofluoride cuf  
422 LiBr Lithium Bromide libr  
423 LiBr- lithium bromide anion libr-  
424 LiBr+ lithium bromide cation libr+  
425 CuCl Copper monochloride cucl  
426 NaBr Sodium Bromide nabr  
427 NaBr- sodium bromide anion nabr-  
428 NaBr+ sodium bromide cation nabr+  
429 KBr Potassium Bromide kbr  
430 LiI Lithium Iodide lii  
431 NaI Sodium Iodide nai  
432 KI Potassium Iodide ki  
433 BeCl beryllium monochloride becl  
434 CaF Calcium monofluoride caf  
435 MgCl magnesium monochloride mgcl  
436 MgCl- magnesium monochloride anion mgcl-  
437 MgCl+ magnesium monochloride cation mgcl+  
438 CaCl calcium monochloride cacl  
439 TiCl Titanium Monochloride ticl  
440 ZnF Zinc monofluoride znf  
441 ZnF- Zinc monofluoride anion znf-  
442 ZnF+ Zinc monofluoride cation znf+  
443 ZnCl Zinc monochloride zncl  
444 CaBr Calcium monobromide cabr  
445 BeCl- beryllium monochloride anion becl-  
446 BeCl+ beryllium monochloride cation becl+  
447 AlF- Aluminum monofluoride anion alf-  
448 AlF+ Aluminum monofluoride cation alf+  
449 BCl- boron monochloride anion bcl-  
450 BCl+ boron monochloride cation bcl+  
451 AlCl- aluminum monochloride anion alcl-  
452 AlCl+ aluminum monochloride cation alcl+  
453 ScF Scandium monofluoride scf  
454 BBr Boron monobromide bbr  
455 GaF Gallium monofluoride gaf  
456 GaF+ Gallium monofluoride cation gaf+  
457 AlBr Aluminum monobromide albr  
458 GaCl Gallium monochloride gacl  
459 GaCl+ Gallium monochloride cation gacl+  
460 AlI Aluminum monoiodide ali  
461 GaBr Gallium monobromide gabr  
462 CCl carbon monochloride ccl  
463 CCl- carbon monochloride anion ccl-  
464 CCl+ carbon monochloride cation ccl+  
465 SiF- silicon monofluoride anion sif-  
466 SiCl- silicon monochloride anion sicl-  
467 SiCl+ silicon monochloride cation sicl+  
468 CBr Carbon monobromide cbr  
469 GeF Germanium monofluoride gef  
470 GeF+ Germanium monofluoride cation gef+  
471 GeCl Germanium monochloride gecl  
472 GeCl+ Germanium monochloride cation gecl+  
473 SiBr Silicon monobromide sibr  
474 SiBr+ Silicon monobromide cation sibr+  
475 NCl- nitrogen monochloride anion ncl-  
476 NCl+ nitrogen monochloride cation ncl+  
477 PF- phosphorus monofluoride anion pf-  
478 PF+ phosphorus monofluoride cation pf+  
479 PCl phosphorus chloride pcl  
480 PCl- phosphorus monochloride anion pcl-  
481 PCl+ phosphorus monochloride cation pcl+  
482 AsF Arsenic monofluoride asf  
483 NBr nitrogen monobromide nbr  
484 AsCl Arsenic monochloride ascl  
485 PBr Phosphorus monobromide pbr  
486 SbF Antimony monofluoride sbf  
487 SbCl Antimony monochloride sbcl  
488 ClO- chlorine monoxide anion clo-  
489 ClO+ chlorine monoxide cation clo+  
490 SF- sulfur monofluoride anion sf-  
491 SCl- sulfur monochloride anion scl-  
492 BrO Bromine monoxide bro  
493 BrO- Bromine monoxide anion bro-  
494 BrO+ Bromine monoxide cation bro+  
495 SeF Selenium monofluoride sef  
496 SBr+ Sulfur monobromide cation sbr+  
497 SeCl Selenium monochloride secl  
498 IO Iodine monoxide io  
499 SeBr Selenium monobromide sebr  
500 BrCl Bromine monochloride brcl  
501 ClF- clorine monofluoride anion clf-  
502 ClF+ clorine monofluoride cation clf+  
503 BrF Bromine monofluoride brf  
504 BrF- bromine fluoride anion brf-  
505 BrF+ bromine fluoride cation brf+  
506 BrCl- bromine chloride anion brcl-  
507 BrCl+ bromine chloride cation brcl+  
508 IF Iodine monofluoride if  
509 Br2 Bromine diatomic br2  
510 Br2- bromine diatomic anion br2-  
511 Br2+ bromine diatomic cation br2+  
512 ICl Iodine monochloride icl  
513 IBr Iodine monobromide ibr  
514 I2 Iodine diatomic i2  
515 I2+ Iodine diatomic cation i2+  
516 HCCl Chloromethylene hccl  
517 HSiF fluorosilylene hsif  
518 HSiCl Chlorosilylene hsicl  
519 HSiBr monobromosilylene hsibr  
520 CHBr bromomethylene chbr  
521 DOCl Hypochlorous acid-d docl  
522 HOCl+ hypochlorous acid cation hocl+  
523 HOBr Hypobromous acid hobr  
524 HOBr+ Hypobromous acid cation hobr+  
525 HOI Hypoiodous acid hoi  
526 F2H+ Fluorine, protonated f2h+  
527 FHF Hydrogen difluoride fhf  
528 FHF- Hydrogen difluoride anion fhf-  
529 ClFH+ Chlorine fluoride, F-protonated clfh+  
530 FClH+ Chlorine fluoride, Cl-protonated fclh+  
531 Cl2H+ Chlorine, protonated cl2h+  
532 CH2Br bromomethyl radical ch2br  
533 CH2F fluoromethyl radical ch2f  
534 CH2F+ fluoromethyl cation ch2f+  
535 CH2Cl+ chloromethyl cation ch2cl+  
536 NH2Cl chloramine nh2cl  
537 CH3F+ methyl fluoride cation ch3f+  
538 CD3F methylfluoride-d3 cd3f  
539 CD3Cl methyl chloride d3 cd3cl  
540 CH3Cl+ Methyl chloride cation ch3cl+  
541 SiH3F monofluorosilane sih3f  
542 CH3Br methyl bromide ch3br  
543 GeH3F monofluorogermane geh3f  
544 GeH3Cl monochlorogermane geh3cl  
545 SiH3Br bromosilane sih3br  
546 CH3I methyl iodide ch3i  
547 SiH3I Silyl Iodide sih3i  
548 NH3Cl+ protonated monochloroammonia nh3cl+  
549 CH3ClH+ methyl chloride, protonated ch3clh+  
550 NH4Cl Ammonium chloride nh4cl  
551 LiNe+ Lithium Neon cation line+  
552 Ne2 Neon diatomic ne2  
553 Ne2+ Neon diatomic cation ne2+  
554 Ar2 Argon diatomic ar2  
555 Ar2+ Argon diatomic cation ar2+  
556 Li3 Lithium trimer li3  
557 Li3+ Lithium trimer cation li3+  
558 SiC2 Silicon dicarbide sic2  
559 C3H3 cyclopropenyl radical cpr  
560 C3H3- Propargyl anion c3h3-  
561 C3H5 Allyl radical allyl  
562 C3H5+ Allyl cation allyl+  
563 CH3CHCH 1-propenyl radical ch3chch  
564 Zn(CH3)2 dimethyl zinc dmz  
565 C3H7+ cyclopropane, protonated c3h7+  
566 CH3CHCH3 Isopropyl radical isopropyl  
567 CH3CHCH3+ Isopropyl cation prop2yl+  
568 SiH2(CH3)2 dimethylsilane dms  
569 LiCN lithium cyanide licn  
570 NaCN Sodium Cyanide nacn  
571 KCN Potassium cyanide kcn  
572 CuCN Copper cyanide cucn  
573 ZnCN Zinc monocyanide zncn  
574 ZnNC Zinc isocyanide znnc  
575 AlCN Aluminum monocyanide alcn  
576 AlNC Aluminum isocyanide alnc  
577 CN2 3H-Diazirin-3-ylidene cn2  
578 CNN Diazocarbene cnn  
579 NCN Cyanoimidogen ncn  
580 N3+ azide cation n3+  
581 HCCN cyanomethylene hccn  
582 HCNN diazomethyl radical hcnn  
583 HN3+ Hydrazoic acid cation hn3+  
584 HNCNH diiminomethane hncnh  
585 CH2N2 diazirine ch2n2  
586 HNNNH+ 1,2-Triazadienium n2h3+  
587 NH2NN+ hydrazoic acid, protonated nh2nn+  
588 CH3CN- acetonitrile anion ch3cn-  
589 CHNCH2 2H-Azirine c157164  
590 CHNHCH 1H-Azirine chnhch  
591 H2CCNH Ethenimine ch2cnh  
592 H2CNCH methyleneaminomethylene ch2nch  
593 HCCNH2 Ethynamine hccnh2  
594 HCNCH2+ 2H-Azirine cation hcnch2+  
595 HNCNH2+ diiminomethane, protonated hncnh2+  
596 NCNH3+ Cyanamide, protonated ncnh3+  
597 NH2CNH+ cyanamide, cn protonated nh2cnh+  
598 NH3CN+ cyanamide, amine protonated nh3cn+  
599 CH2CHNH vinylazine ch2chnh  
600 CH3CHN methylmethaniminyl radical ch3chn  
601 CH2CHNH2 aminoethene aminoethene  
602 CH3CHNH ethanimine ethanimine  
603 NH2BHNH2 diaminoborane nh2bhnh2  
604 C2H5NH+ Protonated Aziridine c2h5nh+  
605 C2H6N+ aziridine, protonated c2h6n+  
606 NH2CH2NH2 diaminomethane nh2ch2nh2  
607 CH3PHCH3 dimethylphosphine ch3phch3  
608 NH2CH2NH3+ diaminoethane, protonated pdam  
609 (CH3)2NH2+ dimethylammonium cation dmam  
610 CH3CH2NH3+ ethylamine, protonated pea  
611 Na2O disodium monoxide na2o  
612 Na2S Sodium sulfide na2s  
613 LiO2 Lithium dioxide lio2  
614 NaO2 Sodium superoxide nao2  
615 CCO Dicarbon monoxide cco  
616 CNO- fulminate cno-  
617 SCN thiocyanato radical scn  
618 SCN- thiocyanide anion scn-  
619 BO2+ Boron dioxide cation bo2+  
620 N2O- Nitrous oxide anion n2o-  
621 PPO Phosphorus oxide phosphide ppo  
622 OCS+ Carbonyl sulfide cation cos+  
623 SiO2 silicon dioxide sio2  
624 CS2- Carbon disulfide anion cs2-  
625 CS2+ Carbon disulfide cation cs2+  
626 TiO2 Titanium dioxide tio2  
627 GeO2 Germanium dioxide geo2  
628 OCSe Carbonyl selenide ocse  
629 SCSe Carbon sulfide selenide scse  
630 GeS2 Germanium disulfide ges2  
631 CSe2 Carbon diselenide cse2  
632 SCTe Carbon sulfide Telluride scte  
633 PO2 Phosphorus dioxide po2  
634 PO2- Phosphorus dioxide anion po2-  
635 PO2+ Phosphorus dioxide cation po2+  
636 AsO2 Aresenic dioxide aso2  
637 SO2- Sulfur dioxide anion so2-  
638 SO2+ Sulfur dioxide cation so2+  
639 SSO Disulfur monoxide sso  
640 S3- Sulfur trimer anion s3-  
641 SeO2 Selenium dioxide seo2  
642 SeO2+ Selenium dioxide cation seo2+  
643 TeO2 Tellurium Dioxide teo2  
644 CS2H+ Carbon disulfide, protonated cs2h+  
645 HNCS Isothiocyanic acid hncs  
646 HSCN thiocyanic acid hscn  
647 HNNO nitrosoazane hnno  
648 HNNO+ Nitrous oxide, N-protonated hnno+  
649 NNOH+ Nitrous Oxide, O-protonated nnoh+  
650 HCOO formate neutral radical hcoo  
651 O3H+ protonated ozone o3h+  
652 SO2H+ protonated sulfur dioxide so2h+  
653 C2H2O Oxirene oxirene  
654 Be(OH)2 Beryllium hydroxide beo2h2  
655 Mg(OH)2 Magnesium dihydroxide h2mgo2  
656 NH2NO Nitrosamide nh2no  
657 H2COO Dioxymethyl radical h2coo  
658 H2COO+ dioxymethyl cation h2coo+  
659 H2O3 Hydrogen trioxide h2o3  
660 NaOCH3 Sodium methoxide naoch3  
661 CH2BOH hydroxy(methylene)borane ch2boh  
662 BH3CO Borane carbonyl bh3co  
663 CH3BO Borane, methyloxo- ch3bo  
664 CH2CHO Vinyloxy radical ch2cho  
665 CH2COH+ ketene, protonated ch2coh+  
666 CH3CO- Acetyl anion ch3co-  
667 CH3CO+ acetyl cation ch3co+  
668 CH2NOH formaldoxime ch2noh  
669 CH3NO nitrosomethane ch3no  
670 CNOH3 1,2-oxaziridine cnoh3  
671 HOCHNH hydroxymethylimine hochnh  
672 CHSNH2 thioformamide chsnh2  
673 NHCHSH Methanimidothioic acid nhchsh  
674 CH2OOH CH2OOH radical ch2ooh  
675 CH3OO- methylperoxy anion ch3oo-  
676 CH3OO+ methylperoxy cation ch3oo+  
677 C2H4O+ ethylene oxide cation c2h4o+  
678 CH3CHO+ acetaldehyde cation ch3cho+  
679 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
680 CH2CHSH Ethenethiol ch2chsh  
681 H2CONH2+ protonated formamide h2conh2+  
682 NH2CHOH+ Formamide, O-protonated nh2choh+  
683 NH3CHO+ Formamide, N-Protonated nh3cho+  
684 CH2(OH)2 methanediol ch2o2h2  
685 CH3OOH Methyl peroxide ch3ooh  
686 HSCH2SH Methanedithiol ch4s2  
687 H2OH2CO water formaldehyde dimer h2oh2co  
688 C2H4OH+ ethylene oxide, protonated c2h4oh+  
689 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
690 CH3CH2O Ethoxy radical ethoxy  
691 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
692 CH3CHOH+ acetaldehyde, protonated ch3choh+  
693 CH3OCH2 methoxymethyl radical ch3och2  
694 NH2CH2OH aminomethanol nh2ch2oh  
695 CH3SCH3 Dimethyl sulfide mesme  
696 CH3SCH3+ dimethyl sulfide cation mesme+  
697 CH3SeCH3 dimethylselenide dmse  
698 CH3OHH2O methanol water dimer ch3ohh2o  
699 H2OCH3OH water methanol dimer h2och3oh  
700 CuF2 Copper difluoride cuf2  
701 ZnF2 Zinc difluoride znf2  
702 CNF iso cyanogen fluoride cnf  
703 BrCN Cyanogen bromide brcn  
704 ICN Cyanogen iodide icn  
705 FBO Boron monofluoride monoxide fbo  
706 BeF2 Beryllium fluoride bef2  
707 MgF2 Magnesium fluoride mgf2  
708 BeCl2 Beryllium chloride becl2  
709 MgCl2 Magnesium dichloride mgcl2  
710 CaCl2 Calcium Chloride cacl2  
711 ZnCl2 Zinc dichloride zncl2  
712 BeBr2 Beryllium bromide bebr2  
713 CaBr2 Calcium dibromide cabr2  
714 CaF2 Calcium difluoride caf2  
715 FCO Carbonyl fluoride fco  
716 FCO+ Carbonyl fluoride cation fco+  
717 ClCO carbonyl monochloride clco  
718 BF2 Boron difluoride radical bf2  
719 ClNO Nitrosyl chloride clno  
720 BrNO Nitrosyl bromide brno  
721 INO Nitrosyl iodide ino  
722 CFCl chlorofluoromethylene cfcl  
723 SiF2 Silicon difluoride sif2  
724 SiF2+ Silicon difluoride cation sif2+  
725 CCl2 dichloromethylene ccl2  
726 CCl2- dichloromethylene anion ccl2-  
727 CCl2+ dichloromethylene cation ccl2+  
728 SiCl2 Dichlorosilylene sicl2  
729 GeF2 Germanium difluoride gef2  
730 CBr2 dibromomethylene cbr2  
731 FOO+ Fluorine dioxide cation foo+  
732 ClOO chloroperoxy radical cloo  
733 ClOO+ chloroperoxy cation cloo+  
734 OClO- Chlorine dioxide anion oclo-  
735 OClO+ Chlorine dioxide cation oclo+  
736 ClS2 Sulfur chloride cls2  
737 BrOO Bromine dioxide broo  
738 OBrO Bromine dioxide radical obro  
739 PF2 Phosphorus difluoride pf2  
740 PF2+ Phosphorus difluoride cation pf2+  
741 SF2- sulfur difluoride anion sf2-  
742 SF2+ sulfur difluoride cation sf2+  
743 Cl2O Dichlorine monoxide cl2o  
744 SeF2 Selenium difluoride sef2  
745 BrOCl Bromine hypochlorite brocl  
746 BrOBr Bromine oxide brobr  
747 F3- trifluoride anion f3-  
748 Cl3- trichloride anion cl3-  
749 Br3- tribromide anion br3-  
750 I3- triiodide i3-  
751 SFCl Sulfur chloride fluoride sfcl  
752 HCCF+ fluoroacetylene cation hccf+  
753 HCCCl Chloroacetylene hcccl  
754 HCCBr bromoacetylene hccbr  
755 HFCO+ formyl fluoride cation hfco+  
756 COHCl Formyl chloride cohcl  
757 COHBr Formyl bromide cohbr  
758 BHCl2 Borane, dichloro- bhcl2  
759 CHCl2 dichloromethyl radical chcl2  
760 CHF2 difluoromethyl radical chf2  
761 CHF2+ difluoromethyl cation chf2+  
762 CHFCl Chlorofluoromethyl radical chfcl  
763 CHFCl+ Chlorofluoromethyl cation chfcl+  
764 CHCl2+ dichloromethyl cation chcl2+  
765 CHBr2 dibromomethyl radical chbr2  
766 HOClO Chlorous acid hoclo  
767 NHF2 difluoramine nhf2  
768 NHCl2 dichloroamine nhcl2  
769 CH2FCl fluorochloromethane ch2fcl  
770 SiH2F2 difluorosilane sih2f2  
771 CH2BrF Methane, bromofluoro- ch2fbr  
772 CH2BrCl Methane, bromochloro- ch2clbr  
773 CH2FI fluoroiodomethane ch2fi  
774 CH2Br2 dibromomethane ch2br2  
775 CH2ClI chloroiodomethane ch2cli  
776 CH2BrI bromoiodomethane ch2bri  
777 CH2I2 Diiodomethane ch2i2  
778 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
779 CH2CHF+ fluoroethene cation ch2chf+  
780 C2H3Cl Ethene, chloro- ch2chcl  
781 C2H3Br vinyl bromide c2h3br  
782 C2H3I Vinyl iodide c2h3i  
783 CH2FOH fluoromethanol ch2foh  
784 CH3OCl methyl hypochlorite ch3ocl  
785 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
786 CHClCH3 1-chloroethyl radical chclch3  
787 CH3CH2Cl Ethyl chloride c2h5cl  
788 CH3SiFH2 fluoromethylsilane ch3sifh2  
789 C2H5Br Ethyl bromide etbr  
790 C2H5I Ethyl iodide c2h5i  
791 KrF2 Krypton difluoride krf2  
792 XeF2 Xenon difluoride xef2  
793 B4H10 Tetraborane(10) b4h10  
794 C4H2+ diacetlyene cation c4h2+  
795 C4H4 cyclobutadiene cbd  
796 C4H4 Tetrahedrane c4h4  
797 CHCCH2CH3 1-Butyne c107006  
798 CH3CHCHCH2 methylallyl radical c4h7  
799 C4H8 methylcyclopropane mcp  
800 B(CH3)3 trimethylborane bme3  
801 Al(CH3)3 trimethyl aluminum tma  
802 SiH(CH3)3 trimethylsilane trimsi  
803 Li3N trilithium nitride li3n  
804 P4 Phosphorus tetramer p4  
805 As4 Arsenic tetramer as4  
806 H2CNCN cyanamide, methylene ch2ncn  
807 HNCCNH Ethenediimine hnccnh  
808 C3H3N+ acrylonitrile cation ch2chcn+  
809 CH3N3 methyl azide ch3n3  
810 NH2CCNH2 Diaminoacetylene daa  
811 NH2CH2CN Aminoacetonitrile aan  
812 CH3NHN2+ methyl azide, protonated ch3nhn2+  
813 C2H5CN ethyl cyanide c2h5cn  
814 CH5N3 Guanidine guanidine  
815 C4H6 Bicyclo[1.1.0]butane c157335  
816 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
817 H2NCHCHNH2 diaminoethylene dae  
818 CH6N3+ guanidinium ch6n3+  
819 CH7N3 triaminomethane tam  
820 C3H7N Azetidine azet  
821 NH2CH2CH2CH3 1-Propanamine pram1  
822 P(CH3)3 trimethylphosphine tmp  
823 N(SiH3)3 trisilylamine tsa  
824 As(CH3)3 trimethyl arsine tmas  
825 (CH3)3NH+ protonated trimethyl amine ptma  
826 C3H7NH3+ n-propylamine, protonated c3h7nh2  
827 Li2O2 dilithium dioxide li2o2  
828 Na2O2 disodium dioxide na2o2  
829 K2O2 dipotassium dioxide k2o2  
830 C3O Tricarbon monoxide c3o  
831 ONNO NO dimer onno  
832 CO3 Carbon trioxide co3  
833 NO3- nitrate anion no3-  
834 SO3- Sulfur trioxide anion so3-  
835 SO3-- Sulfate dianion so3--  
836 SO3+ Sulfur trioxide cation so3+  
837 SeO3 selenium trioxide seo3  
838 TeO3 Tellurium trioxide teo3  
839 HCO3- bicarbonate anion hco3-  
840 HSO3 Hydroxysulfonyl radical hso3  
841 NH2NO2 nitramide nh2no2  
842 C2H2CO cyclopropenone c2h2co  
843 C3H2O Propadienal c3h2o  
844 HCCCHO 2-propynal hcccho  
845 C2H2O2+ Ethanedial cation c2h2o2+  
846 H2CO3 Carbonic acid h2co3  
847 H2CS3 thiocarbonic acid h2cs3  
848 H2NO3+ Nitric Acid, Protonated h2no3+  
849 H2SO3 Sulfurous acid h2so3  
850 C2H3NO Nitrosoethylene c2h3no  
851 CH3NCO methylisocyante ch3nco  
852 HOCH2CN cyanomethanol hoch2cn  
853 NH2COOH Carbamic acid nh2cooh  
854 H3CO3+ carbonic acid, protonated h3co3+  
855 C3H4O 2-Propyn-1-ol c107197  
856 C3H4O Methylketene c6004440  
857 NH2CONH2+ Urea cation urea+  
858 NH2CSNH2 Thiourea thiourea  
859 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
860 NH3COOH+ protonated Carbamic acid nh3cooh+  
861 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
862 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
863 HCOOHH2O Formic acid water dimer hcoohh2o  
864 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
865 CH3COCH2 Acetonyl radical ch3coch2  
866 CH2C(OH)NH2 1-amino vinyl alchohol ava  
867 CH3C(OH)=NH Ethaninidic acid eia  
868 HCONHCH3 N-methylformamide nmfa  
869 CH5N2O+ urea, N-protonated ch4n2o+  
870 H2NCOHNH2+ urea, protonated ureah+  
871 C2H5OO ethylperoxy radical c2h5oo  
872 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
873 C3H5OH Cyclopropanol cproh  
874 C3H6O 2-Propen-1-ol c107186  
875 C3H6O Acetone enol enol  
876 C3H6O Oxetane oxetane  
877 CH3COCH3- acetone anion ch3coch3-  
878 C3H6S Thietane thietane  
879 C3H6S Thiirane, methyl- methiirane  
880 CH3CSCH3 Thioacetone ch3csch3  
881 CH3SOCH3 Dimethyl sulfoxide dmso  
882 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
883 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
884 CH3COHCH3+ acetone, protonated acetoneh+  
885 HOCH2CH2NH2 monoethanolamine mea  
886 C3H7SH 1-Propanethiol prsh  
887 CH3CHSHCH3 2-Propanethiol isoprsh  
888 CH3SCH2CH3 Ethane, (methylthio)- etsme  
889 H2OCH3OCH3 water dimethylether dimer h2och3och3  
890 Li2F2 Lithium fluoride dimer li2f2  
891 Na2F2 Sodium Fluoride Dimer na2f2  
892 Na2Cl2 Disodium dichloride na2cl2  
893 C2Cl2 dichloroacetylene c2cl2  
894 C2Cl2+ dichloroacetylene cation c2cl2+  
895 FNO2 Nitryl fluoride fno2  
896 FONO Nitrosyl hypofluorite fono  
897 ClNO2 Nitryl chloride clno2  
898 ClONO chlorine nitrite clono  
899 BrONO Bromine nitrite brono  
900 CF2O+ Carbonic difluoride cation f2co+  
901 COFCl Carbonic chloride fluoride cofcl  
902 CCl2O Phosgene cl2co  
903 COBr2 Carbonic dibromide cobr2  
904 BClF2 Chlorodifluoroborane bclf2  
905 AlF2Cl Aluminum chloride difluoride alclf2  
906 ScF3 Scandium trifluoride ScF3  
907 AlFCl2 Aluminum dichloride fluoride alcl2f  
908 BCl3 Borane, trichloro- bcl3  
909 BCl3+ Boron Trichloride cation bcl3+  
910 GaF3 Gallium trifluoride gaf3  
911 AlCl3 Aluminum trichloride alcl3  
912 GaCl3 Gallium trichloride gacl3  
913 BBr3 Boron tribromide bbr3  
914 AlBr3 Aluminum Bromide albr3  
915 ClO3 Chlorine trioxide clo3  
916 ClO3- chlorate anion clo3-  
917 BrO3- Bromate anion bro3-  
918 CF2Cl difluorochloromethyl radical cf2cl  
919 SiF3 Silicon trifluoride radical sif3  
920 SiF3+ Silicon trifluoride cation sif3+  
921 CFCl2 dichlorofluoromethyl radical cfcl2  
922 CCl3 Trichloromethyl radical ccl3  
923 CCl3- Trichloromethyl anion ccl3-  
924 CCl3+ Trichloromethyl cation ccl3+  
925 SiCl3 trichlorosilyl radical sicl3  
926 SiCl3+ trichlorosilyl cation sicl3+  
927 CBr3 tribromomethyl radical cbr3  
928 FOOF Perfluoroperoxide foof  
929 ClOOCl Dichlorine dioxide cloocl  
930 SOCl2 thionyl chloride socl2  
931 SeOCl2 selenium oxychloride seocl2  
932 PF3 Phosphorus trifluoride pf3  
933 NCl3 nitrogen trichloride ncl3  
934 AsF3 Arsenic trifluoride asf3  
935 PCl3 Phosphorus trichloride pcl3  
936 SbF3 Antimony Trifluoride sbf3  
937 AsCl3 Arsenous trichloride ascl3  
938 SbCl3 Antimony Trichloride sbcl3  
939 NBr3 Nitrogen Tribromide nbr3  
940 PBr3 Phosphorus tribromide pbr3  
941 AsBr3 Arsenic tribromide asbr3  
942 NI3 Nitrogen triiodide ni3  
943 PI3 Phosphorus triiodide pi3  
944 ClSSCl Disulfur dichloride s2cl2  
945 BrF3 Bromine trifluoride brf3  
946 IF3 iodone trifluoride if3  
947 CHF2Cl difluorochloromethane chf2cl  
948 SiHF3 trifluorosilane sihf3  
949 CHFCl2 fluorodichloromethane chfcl2  
950 CDCl3 trichloromethane-d cdcl3  
951 CHCl3 Chloroform chcl3  
952 CHBrF2 Methane, bromodifluoro- chbrf2  
953 SiHCl3 Trichlorosilane sihcl3  
954 CHFClBr fluorochlorobromomethane chfclbr  
955 CHBrCl2 Methane, bromodichloro- chbrcl2  
956 CHF2I difluoroiodomethane chf2i  
957 CHBr2F dibromofluoromethane chbr2f  
958 CHFClI fluorochloroiodomethane chfcli  
959 CHCl2I dichloroiodomethane chcl2i  
960 CHClBr2 Methane, dibromochloro- chclbr2  
961 CHBr3 bromoform chbr3  
962 CHI3 Iodoform chi3  
963 NF3H+ protonated nitrogen trifluoride nf3h+  
964 AsF3H+ Arsenic trifluoride, protonated asf3h+  
965 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
966 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
967 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
968 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
969 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
970 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
971 C2H2Br2 1,1-dibromoethene c2h2br2  
972 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
973 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
974 CH2FCHO Fluoroacetaldehyde ch2fcho  
975 CH2ClCHO chloroacetaldehyde ch2clcho  
976 CH3COCl Acetyl Chloride ch3cocl  
977 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
978 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
979 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
980 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
981 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
982 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
983 CH2CFCH3 2-fluoropropene 2fpro  
984 CH2CHCH2F Allyl Fluoride allylf  
985 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
986 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
987 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
988 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
989 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
990 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
991 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
992 CH2FCH2CH3 1-Fluoropropane prf1  
993 CH3CHFCH3 2-Fluoropropane prf2  
994 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
995 CH3CHClCH3 Propane, 2-chloro- prcl2  
996 CH3CH2CH2Br n-propyl bromide prbr  
997 CH3CHBrCH3 i-propyl bromide iprbr  
998 C3H9O+ trimethyl oxonium cation c3h9o+  
999 B5H9 pentaborane9 b5h9  
1000 C5H4 pentatetraene ptrene  
1001 C5H5 cyclopentadienyl radical c5h5  
1002 C5H6 Propellane propellane  
1003 C5H7 1,3-pentadienyl radical pdyl  
1004 C5H7 cyclopentenyl radical cpyl  
1005 C5H8 1-pentyne a1pentyne  
1006 C5H8 Bicyclo[1.1.1]pentane bcp  
1007 C5H8 Ethenylcyclopropane c693867  
1008 CH3CCCH2CH3 2-Pentyne 2pentyne  
1009 C5H10 Cyclopentane c287923  
1010 Si(CH3)4 tetramethylsilane tms  
1011 CH2N4 1H-Tetrazole 1htz  
1012 C3H3N2 imidazolyl radical im  
1013 C3H3N2- imidizolyl anion im-  
1014 C2H3N3 1H-1,2,4-Triazole c288880  
1015 C4H4N pyrrolide radical c4h4n  
1016 C4H4N- pyrrolide anion c4h4n-  
1017 C3H4N2 2H-Imidazole imid2h  
1018 C3H4N2 4H-Imidazole imid4h  
1019 C4H5N 2H-pyrrole pyrrole2  
1020 C4H5N 3H-pyrrole pyrrole3  
1021 CH2CHCH2CN Allylcyanide ch2chch2cn  
1022 C4H6N+ pyrrole, alpha-protonated appyr  
1023 C4H6N+ pyrrole, beta-protonated bppyr  
1024 C4H6N+ pyrrole, protonated ppyr  
1025 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1026 CH3CH2CH2CN Butanenitrile c109740  
1027 NH(C2H5)2 diethylamine dea  
1028 NC4H12+ tetramethyl ammonium cation nc4h12+  
1029 B2O3 diboron trioxide b2o3  
1030 MgCO3 Magnesium Carbonate mgco3  
1031 BeCO3 Beryllium Carbonate beco3  
1032 CaCO3 Calcium Carbonate caco3  
1033 ONONO Nitrosyl nitrite onono  
1034 PO4--- phosphate po4---  
1035 SO4-- sulfate so4--  
1036 HOONO2 peroxy nitric acid hoono2  
1037 HSO4- bisulfate anion hso4-  
1038 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1039 C3H2O2 Propiolic acid c3h2o2  
1040 CHOCOOH oxo acetic acid oaa  
1041 CHOOCHO diformyl ether choocho  
1042 H2SO4 Sulfuric acid h2so4  
1043 H2SeO4 Selenic acid h2seo4  
1044 C3H3NO Oxazole oxazole  
1045 C3H3NS Thiazole thiazole  
1046 CH3C(O)OO acetyl peroxy radical ch3coo2  
1047 H3PO4 Phosphoric Acid h3po4  
1048 C4H4O+ Furan cation furan+  
1049 CH3COCCH 3-butyn-2-one c1423605  
1050 C4H4S Thiophene furans  
1051 C4H4Se selenophene c4h4se  
1052 C3H4O2 Methyl glyoxal megly  
1053 HOCHCCHOH allenediol aldiol  
1054 C2H4O3 1,2,3-trioxolane c2h4o3  
1055 C2H4O3 trioxolane124 triox  
1056 HOCH2COOH Hydroxyacetic acid hac  
1057 CH5N3S Hydrazinecarbothioamide c79196  
1058 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1059 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1060 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1061 CH2CHSCHCH2 Divinyl sulfide divis  
1062 CH3CH2COOH Propanoic Acid propanoic  
1063 HCOOC2H5 Ethyl formate faee  
1064 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1065 C4H8O Furan, tetrahydro- thf  
1066 C4H8S Thiophene, tetrahydro- tht  
1067 C3H8S2 1,3-Propanedithiol c109808  
1068 C4H10O 1-Butanol butanol1  
1069 C4H10O Methyl propyl ether meopr  
1070 C4H10O+ 1-Butanol cation butanol1+  
1071 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1072 C2H5SC2H5 Diethyl sulfide etset  
1073 C4H9SH 1-Butanethiol bush  
1074 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1075 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1076 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1077 ClONO2 Chlorine nitrate clono2  
1078 BrONO2 Bromine nitrate brono2  
1079 TiCl4 Titanium tetrachloride ticl4  
1080 ClO4- perchlorate anion clo4-  
1081 ClFO3 Perchloryl fluoride clfo3  
1082 SO2F2 Sulfuryl fluoride so2f2  
1083 SO2Cl2 Sulfuryl chloride so2cl2  
1084 F3PO Phosphoryl fluoride pf3o  
1085 Cl3PO Phosphoryl chloride pcl3o  
1086 CF3Cl Methane, chlorotrifluoro- cf3cl  
1087 SiF4 Silicon tetrafluoride sif4  
1088 TiF4 Titanium tetrafluoride tif4  
1089 CFCl3 Trichloromonofluoromethane cfcl3  
1090 CF3Br Bromotrifluoromethane cf3br  
1091 GeF4 Germanium tetrafluoride gef4  
1092 CCl4 Carbon tetrachloride ccl4  
1093 CCl4+ Carbon tetrachloride cation ccl4+  
1094 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1095 SiCl4 Silane, tetrachloro- sicl4  
1096 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1097 CF3I trifluoroiodomethane cf3i  
1098 CBrCl3 Methane, bromotrichloro- cbrcl3  
1099 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1100 GeCl4 Germanium Tetrachloride gecl4  
1101 CBr2ClF dibromochlorofluoromethane cbr2clf  
1102 CBr2Cl2 dibromodichloromethane cbr2cl2  
1103 CCl3I trichloroiodomethane ccl3i  
1104 CFBr3 fluorotribromomethane cfbr3  
1105 CFClBrI fluorochlorobromoiodomethane cfclbri  
1106 CBr3Cl tribromochloromethane cbr3cl  
1107 CF2I2 difluorodiiodomethane cf2i2  
1108 CBr4 Carbon tetrabromide cbr4  
1109 CCl2I2 dichlorodiiodomethane ccl2i2  
1110 SiBr4 Silicon tetrabromide sibr4  
1111 CBr3I tribromoiododmethane cbr3i  
1112 GeBr4 Germanium tetrabromide gebr4  
1113 CI4 tetraiodomethane ci4  
1114 SiI4 silicon tetraiodide sii4  
1115 ClOF3 Chlorine trifluoride oxide clof3  
1116 SeF4 Selenium tetrafluoride sef4  
1117 SCl4 Sulfur tetrachloride scl4  
1118 CHClCCl2 Trichloroethylene chclccl2  
1119 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1120 HSO3F Fluorosulfonic acid hso3f  
1121 CF3OH trifluoromethanol cf3oh  
1122 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1123 CHClCCHCl 1,3-dichloroallene chclcchcl  
1124 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1125 CHCl2CHO dichloroacetaldehyde chcl2cho  
1126 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1127 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1128 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1129 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1130 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1131 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1132 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1133 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1134 NH3BCl3 Amminetrichloroboron nh3bcl3  
1135 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1136 C3H5ClO Oxirane, (chloromethyl)- c106898  
1137 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1138 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1139 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1140 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1141 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1142 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1143 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1144 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1145 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1146 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1147 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1148 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1149 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1150 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1151 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1152 C4H9F 1-fluorobutane butaf1  
1153 CH3CHFCH2CH3 2-fluorobutane butaf2  
1154 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1155 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1156 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1157 XeF4 Xenon tetrafluoride xef4  
1158 C2H2N2O Furazan furazan  
1159 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1160 NH3BF3 Amminetrifluoroboron nh3bf3  
1161 C6H2 hexatriyne c6h2  
1162 C6H5- phenyl anion phenyl-  
1163 C6H6 Prismane prismane  
1164 C6H6 1,2,4,5-Hexatetraene ht1245  
1165 C6H6 3,4-Dimethylenecyclobutene cb34m  
1166 C6H6 Benzvalene bv  
1167 C6H6 Dewar Benzene dewar  
1168 C6H6 Hexa-1,5-diene-3-yne hdy153  
1169 C6H6 Trimethylenecycopropane tmcp  
1170 C6H6+ Benzene cation c6h6+  
1171 C6H7+ benzene, protonated c6h7+  
1172 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1173 C6H10 1,5-Hexadiene c592427  
1174 C6H10 cyclohexene cyclohexene  
1175 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1176 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1177 C6H12 (E)-2-Hexene e2hexene  
1178 C6H12 (E)-hex-3-ene e3hexene  
1179 C6H12 (Z)-hex-2-ene z2hexene  
1180 C6H12 (Z)-hex-3-ene z3hexene  
1181 C6H12 2,3-dimethylbut-1-ene c563780  
1182 C6H12 2,3-dimethyl-but-2-ene tmeet  
1183 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1184 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1185 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1186 C4H2N2 Fumaronitrile c4h2n2  
1187 C3H3N3 1,3,5-Triazine triazine135  
1188 C5H5N E-2,4-pentadienenitrile bdcn  
1189 C5H6N+ Pyridinium c5h6n  
1190 C6H10 Bicyclo[3.1.0]hexane c285585  
1191 Li2CO3 Lithium Carbonate li2co3  
1192 Na2CO3 Sodium Carbonate na2co3  
1193 MgSO4 Magnesium Sulfate mgso4  
1194 C3H2O3 vinylene carbonate vica  
1195 C2H2O4 Oxalic Acid oxalic  
1196 C4H4O2 2(5H)-Furanone furanone  
1197 C2H4N2S2 Ethanedithioamide c79403  
1198 C2H4CO3 Ethylene carbonate etco3  
1199 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1200 C3H4S3 1,3-Dithiolane-2-thione c822388  
1201 C2H4O4 Formic acid dimer fadimer  
1202 C4H5NS 4-Methylthiazole c693958  
1203 C2H5NO3 Nitric acid, ethyl ester c625581  
1204 C5H6O 2H-Pyran pyran2  
1205 C5H6O 2-methylfuran furan2m  
1206 C5H6O 3-Methylfuran furan3m  
1207 C5H6O Pentadienal pdal  
1208 C5H6S Thiophene, 2-methyl- c554143  
1209 C5H6S Thiophene, 3-methyl- c616444  
1210 C4H6O2 Crotonic Acid crot  
1211 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1212 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1213 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1214 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1215 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1216 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1217 C4H6OS Vinyl sulfoxide c1115157  
1218 CH6N4S Carbonothioic dihydrazide thiacarb  
1219 C3H6S3 1,3,5-Trithiane c3h6s3  
1220 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1221 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1222 C4H7NO Ethoxyacetonitrile etoaccn  
1223 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1224 C3H7ONO Propyl nitrite prono  
1225 C5H8O Cyclopentanone c120923  
1226 C5H8O Methyl cyclopropyl ketone c765435  
1227 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1228 C4H8O2 Ethyl acetate c141786  
1229 C4H8OS s-Ethyl thioacetate c625605  
1230 C3H8O2S (Methylsulfonyl)ethane c594434  
1231 C5H10O 2-methylbutyraldehyde 2meba  
1232 C5H10O 2-Pentanone mpk  
1233 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1234 C5H10S 3-Ethylthio-1-propene c5296628  
1235 C5H10S Cyclopentanethiol c1679078  
1236 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1237 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1238 C4H10OS Diethyl sulfoxide c70291  
1239 C4H10S2 1,4-Butanedithiol budisl14  
1240 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1241 C5H12S 1-Butanethiol, 3-methyl- c541311  
1242 C5H12S 1-Pentanethiol c110667  
1243 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1244 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1245 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1246 C5H12S Butane, 1-(methylthio)- c628295  
1247 C5H12S Ethyl propyl sulfide c4110503  
1248 C5H12S Propane, 2-(ethylthio)- c5145993  
1249 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1250 C4F2 difluorobutadiyne c4f2  
1251 ClCOClCO Oxalyl chloride oxcl  
1252 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1253 B2Cl4 Diboron tetrachloride b2cl4  
1254 C2F4+ Tetrafluoroethylene cation c2f4+  
1255 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1256 CF2CCl2 difluorodichloroethylene cf2ccl2  
1257 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1258 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1259 C2FCl3 fluorotrichloroethene c2fcl3  
1260 C2Cl4 Tetrachloroethylene c2cl4  
1261 C2Br4 tetrabromoethene c2br4  
1262 AsF5 Arsenic pentafluoride asf5  
1263 PCl5 Phosphorus pentachloride pcl5  
1264 SF5 Sulfur pentafluoride sf5  
1265 SF5+ pentafluoro sulfur cation sf5+  
1266 SbCl5 Antimony pentachloride sbcl5  
1267 BrF5 bromine pentafluoride brf5  
1268 ClF5 chlorinepentafluoride clf5  
1269 IF5 pentafluoroiodine if5  
1270 CF3CHO trifluoroacetaldehyde cf3cho  
1271 CCl3CHO trichloroacetaldehyde ccl3cho  
1272 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1273 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1274 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1275 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1276 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1277 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1278 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1279 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1280 CF3COOH trifluoroacetic acid cf3cooh  
1281 C4H3ClO Furan, 2-chloro fur2cl  
1282 C4H3ClO Furan,3-chloro fur3cl  
1283 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1284 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1285 C4H8Cl2 1,4-Dichlorobutane c110565  
1286 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1287 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1288 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1289 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1290 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1291 C5H11Cl Pentane, 1-chloro- pencl1  
1292 C4H8O2 Butanoic acid bua  
1293 C7H7 cycloheptatrienyl radical c7h7  
1294 C7H7+ cycloheptatrienyl cation c7h7+  
1295 C7H8 cycloheptatriene cht  
1296 C7H8 Norbornadiene norbor  
1297 C7H8 Quadricyclane qucy  
1298 C7H14 cycloheptane c7h14  
1299 CH(CN)3 tricyanomethane mecn3  
1300 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1301 C6H7N 2-Methylpyridine mp  
1302 C6H13N 2-Methylpiperidine pip2m  
1303 C6H13N cyclohexanamine cham  
1304 C6H15N triethylamine tea  
1305 N2O5 Dinitrogen pentoxide n2o5  
1306 C4H2O3 Maleic Anhydride malan  
1307 C6H5O phenoxy radical phenoxy  
1308 C5H5NO 2(1H)-Pyridinone c72762006  
1309 C5H5NO 2(3H)-Pyridinone c9000048  
1310 C5H5NO 2(5H)-Pyridinone c9000037  
1311 C5H5NO 2-Pyridinol c109104  
1312 C5H5NO 3(2H)-Pyridinone c9000004  
1313 C5H5NO 3(4H)-Pyridinone c9000026  
1314 C5H5NO 3(6H)-Pyridinone c9000015  
1315 C5H5NO 3-Pyridinol c109002  
1316 C5H5NO 4(1H)-Pryidinone c9000060  
1317 C5H5NO 4(3H)-Pryidinone c9000059  
1318 C5H5NO 4-Pyridinol c626642  
1319 C6H6O 2,4-Cyclohexadienone c24599573  
1320 C6H6O 2,5-Cyclohexadienone c5664335  
1321 C6H5SH Benzenethiol phsh  
1322 HO2CCHNH2CH2OH Serine serine  
1323 C5H8O2 Acetylacetone acac  
1324 C4H8O2S Sulfolane sulfolane  
1325 C7H10 Norbornene norbornene  
1326 CH(C2H3)3 trivinyl methane tvm  
1327 C6H12O hexanal c6h12o  
1328 C6H12O Oxepane oxepane  
1329 C3H7OC3H7 di-n-propyl ether propr  
1330 F2CCCF2 tetrafluoroallene pfa  
1331 CF3COO- trifluoro acetate anion cf3coo-  
1332 CF3COF trifluoroacetyl fluoride cf3cof  
1333 CF3COCl trifluoroacetyl chloride cf3cocl  
1334 PF6 Hexafluorophosphate neutral pf6  
1335 SF6 Sulfur Hexafluoride sf6  
1336 SeF6 Selenium hexafluoride sef6  
1337 CF3CHF2 pentafluoroethane cf3chf2  
1338 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1339 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1340 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1341 CCl3CHCl2 pentachloroethane ccl3chcl2  
1342 C6H5F Fluorobenzene bzf  
1343 C6H5Cl chlorobenzene bzcl  
1344 C6H5Br bromobenzene bzbr  
1345 C8H6 Calicene calicene  
1346 C8H6 benzocyclobutadiene bcbd  
1347 C8H6 Pentalene pentalene  
1348 CH3C6H4CH3 meta-xylene mxylene  
1349 CH3C6H4CH3 paraxylene pxylene  
1350 C8H14 Bicyclo[2.2.2]octane bico222  
1351 C8H16 cyclooctane cyclooct  
1352 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1353 C4O4-- squarate dianion c4o4--  
1354 S4N4 Tetrasulfur tetranitride s4n4  
1355 S8 Octasulfur s8  
1356 C4H4N2O2 Uracil uracil  
1357 C5H9NO2 Proline proline  
1358 C6H12O2 Methyl pivalate c598981  
1359 C6H12O2 Hexanoic acid hexa  
1360 C4F4 tetrafluorcyclobutadiene c4f4  
1361 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1362 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1363 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1364 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1365 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1366 C2Cl6 hexachloroethane c2cl6  
1367 IF7 Iodine heptafluoride if7  
1368 C6H4F2 metadifluorobenzene mdfb  
1369 C6H4Cl2 1,2-dichlorobenzene dcb12  
1370 C6H4Cl2 1,3-dichlorobenzene dcb13  
1371 C6H4Cl2 1,4-dichlorobenzene dcb14  
1372 C6H5NO nitrosobenzene bzno  
1373 C9H8 Indene indene  
1374 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1375 C9H12 n-propyl benzene prbz  
1376 C9H20 Nonane nonane  
1377 C(CN)4 tetracyanomethane c5n4  
1378 C5H4N4 purine purine  
1379 C8H7N Indole indole  
1380 C3H3N3O3 cyanuric acid cyanuric  
1381 CH3COC6H5 acetophenone acph  
1382 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1383 C3F6 hexafluoropropene c3f6  
1384 C6H3F3 Benzene trifluoride 123 bzf3a  
1385 C8H18O 1-Octanol octanol  
1386 C10H8 Azulene azu  
1387 C10H10 bullvalene bullv  
1388 C6N4 Tetracyanoethylene tcne  
1389 C6N4- tetracyanoethylene anion tcne-  
1390 C10H22 Decane decane  
1391 C4F6 perfluorobutadiene c4f6  
1392 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1393 C3F8 perfluoropropane c3f8  
1394 Fe(CO)5 Iron pentacarbonyl ipc  
1395 Fe(C5H5)2 ferrocene fecp2  
1396 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1397 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1398 C12H8 Acenaphthylene acenaph  
1399 C12H8 biphenylene biph  
1400 C12H10 Heptalene heptalene  
1401 C6H12O6 Inositol inositol  
1402 C6F6 hexafluorobenzene c6f6  
1403 S2F10 disulphur decafluoride s2f10  
1404 C13H10 Fluorene fluorene  
1405 C14H10 Phenanthrene phenanthrene  
1406 C14H14 Bibenzyl bibenzyl  
1407 C12H10N2 azobenzene azobenzene  
1408 C6H5COC6H5 benzophenone benzophenone  
1409 C16H10 Pyrene pyrene  
1410 C18H12 Tetracene tetracene  
1411 C19H16 Triphenylmethane tpm  
1412 C24H12 Coronene coronene  
1413 C60 Buckminsterfullerene c60