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List of which calculations are completed at LSDA /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 Be Beryllium atom 1SKh
20 Mg Magnesium atom 1SKh
21 BeH beryllium monohydride 2ΣC∞v
22 BeH- berylium monohydride anion 1ΣC∞v
23 BeH+ beryllium monohydride cation 1ΣC∞v
24 MgH magnesium monohydride 2ΣC∞v
25 MgH- magnesium monohydride anion 1ΣC∞v
26 MgH+ magnesium monohydride cation 1ΣC∞v
27 BeH2 beryllium dihydride 1ΣgD∞h
28 MgH2 magnesium dihydride 1ΣgD∞h
29 B Boron atom 2PKh
30 BH Boron monohydride 1ΣC∞v
31 BH- boron monohydride anion 2ΠC∞v
32 AlH aluminum monohydride 1ΣC∞v
33 BH2 boron dihydride 2A1C2v
34 BH3 boron trihydride 1A1'D3h
35 BH4- borohydride anion 1A1Td
36 C Carbon atom 3P0Kh
37 Si Silicon atom 3PKh
38 CH Methylidyne 2Π1/2C∞v
39 CH- methylidyne anion 3ΣC∞v
40 CH+ Methylidyne cation 1ΣC∞v
41 CH2 Methylene 3B1C2v
42 CH2 Methylene 1A1C2v
43 CH2+ methylene cation 2A1C2v
44 SiH2 silicon dihydride 1A1C2v
45 SiH2 silicon dihydride 3B1C2v
46 CH3 Methyl radical 2A1D3h
47 CH3- methyl anion 1A1C3v
48 CH3+ methyl cation 1A1'D3h
49 SiH3 Silyl radical 2A1C3v
50 SiH4 Silane 1A1Td
51 P Phosphorus atom 4SKh
52 NH Imidogen 3Σ-C∞v
53 NH Imidogen 1Σ+C∞v
54 NH- Imidogen anion 2ΠC∞v
55 NH+ imidogen cation 2ΠC∞v
56 PH phosphorus monohydride 1Σ+C∞v
57 ND2 Amidogen-d2 2B1C2v
58 NH2 Amino radical 2B1C2v
59 NH2- amino anion 1A1C2v
60 ND3 Ammonia-d3 1A1C3v
61 NH3 Ammonia 1A1C3v
62 NH3+ ammonia cation 2A2"D3h
63 PH3 Phosphine 1A1C3v
64 NH4+ ammonium cation 1A1Td
65 PH4+ phosphonium cation   
66 O Oxygen atom 3SKh
67 S Sulfur atom 3PKh
68 DO Hydroxyl-d 2ΠC∞v
69 OH Hydroxyl radical 2ΠC∞v
70 OH- hydroxide anion 1ΣC∞v
71 OH+ hydoxyl cation 1ΣC∞v
72 HS Mercapto radical 2ΠC∞v
73 D2O Deuterium oxide 1A1C2v
74 H2O Water 1A1C2v
75 HDO Water-d1 1A1C2v
76 D2S Hydrogen sulfide-d2 1A1C2v
77 H2S Hydrogen sulfide 1A1C2v
78 H2S+ Hydrogen sulfide cation 2B1C2v
79 H3O+ hydronium cation 1A1C3v
80 H3S+ Sulfonium cation 1A1C3v
81 F Fluorine atom 2PKh
82 Cl Chlorine atom 2PKh
83 DF Hydrofluoric acid-d 1ΣC∞v
84 HF Hydrogen fluoride 1ΣC∞v
85 HF- hydrogen fluoride anion 2ΣC∞v
86 HF+ hydrogen fluoride cation 2ΠC∞v
87 HCl Hydrogen chloride 1ΣC∞v
88 HCl+ hydrogen chloride cation 2ΠC∞v
89 H2F+ dihydrogen fluoride cation 1A1C2v
90 H2Cl+ dihydrogen monochloride cation 1A1C2v
91 Ne Neon atom 1SKh
92 NeH+ neon hydrogen cation 1ΣC∞v
93 Li2 Lithium diatomic 1ΣgD∞v
94 Li2- lithium diatomic anion 2ΣuD∞h
95 NaLi lithium sodium 1ΣC∞v
96 NaLi- lithium sodium anion 2ΣC∞v
97 NaLi+ lithium sodium cation 2ΣC∞v
98 Na2 Sodium diatomic 1ΣgD∞h
99 Na2- sodium diatomic anion 2ΣuD∞h
100 Na2+ sodium diatomic cation 2ΣgD∞h
101 Be2- Beryllium diatomic anion 2ΠuD∞h
102 Be2+ Beryllium diatomic cation 2ΣuD∞h
103 Mg2 Magnesium diatomic 1ΣgD∞h
104 Mg2- magnesium diatomic anion 2ΠUD∞h
105 Mg2+ magnesium diatomic cation 2ΣuD∞h
106 B2 Boron diatomic 3ΣgD∞h
107 B2 Boron diatomic 1ΣgD∞h
108 B2 Boron diatomic 5ΣuD∞h
109 BAl Boron Aluminum 3ΣC∞v
110 B2H6 Diborane 1AgD2h
111 BC- boron monocarbide anion 3ΠuC∞v
112 BC- boron monocarbide anion 1Σg+C∞v
113 BC+ boron monocarbide cation 3ΣC∞v
114 BC+ boron monocarbide cation 1ΣC∞v
115 AlC Aluminum carbide 4ΣC∞v
116 C2 Carbon diatomic 1Σg+D∞h
117 C2 Carbon diatomic 3ΠuD∞h
118 C2- carbon diatomic anion 2ΣgD∞h
119 SiC silicon monocarbide 3ΣC∞v
120 SiC silicon monocarbide 1ΣC∞v
121 C2H Ethynyl radical 2ΣC∞v
122 C2H3 vinyl 2A'Cs
123 C2H5 Ethyl radical 2A'Cs
124 Si2H6 disilane 1EuD3d
125 BeN- Beryllium mononitride anion 1ΣC∞v
126 BN boron nitride 3ΠC∞v
127 BN boron nitride 1ΣC∞v
128 AlN Aluminum nitride 3ΠiC∞v
129 CN Cyano radical 2ΣC∞v
130 CN- cyanide anion 1ΣC∞v
131 CN+ Cyano cation 1ΣC∞v
132 SiP Silicon monophosphide 2ΠC∞v
133 N2 Nitrogen diatomic 1ΣgD∞h
134 N2- nitrogen diatomic anion 2ΠgD∞h
135 N2+ diatomic nitrogen cation 2ΣgD∞h
136 P2 Phosphorus diatomic 1ΣgD∞h
137 HNC hydrogen isocyanide 1ΣC∞v
138 NNH Dinitrogen monohydride 2A'Cs
139 N2H2 (E)-diazene 1AgC2h
140 CH2NH Methanimine 1A'Cs
141 CH2PH Phosphaethene 1A'Cs
142 CH2NH2+ methyleneamine cation 1A1C2v
143 BH3PH3 borane phosphine   
144 LiO lithium oxide 2ΣC∞v
145 LiO- lithium oxide anion 1ΣC∞v
146 LiO+ lithium oxide cation 3ΣC∞v
147 LiO+ lithium oxide cation 1ΣC∞v
148 LiS Lithium monosulfide 2ΠC∞v
149 NaO sodium monoxide 2ΣC∞v
150 NaO- sodium oxide anion 1ΣC∞v
151 NaO+ sodium oxide cation 3ΣC∞v
152 BeO beryllium oxide 1ΣC∞v
153 BeO- Beryllium monoxide anion 2ΣC∞v
154 BeO+ Beryllium monoxide cation 2ΠC∞v
155 MgO magnesium oxide 1Σ+C∞v
156 MgO- magnesium oxide anion 2ΣC∞v
157 MgO+ magnesium oxide cation 2ΠC∞v
158 CaS Calcium sulfide 1ΣC∞v
159 BO boron monoxide 2ΣC∞v
160 BO- boron monoxide anion 1ΣC∞v
161 CO Carbon monoxide 1ΣC∞v
162 CO- carbon monoxide anion 2ΠC∞v
163 CO+ carbon monoxide cation 2ΣC∞v
164 GeO Germanium monoxide 1ΣC∞v
165 SiSe Silicon Monoselenide   
166 NO Nitric oxide 2ΠC∞v
167 NO- nitric oxide anion 3ΣC∞v
168 NO- nitric oxide anion 1ΔC∞v
169 NO+ nitric oxide cation 1ΣC∞v
170 PO Phosphorus monoxide 2ΠC∞v
171 PS phosphorus sulfide 2ΣC∞v
172 O2 Oxygen diatomic 3ΣgD∞h
173 O2- oxygen diatomic anion 2ΠD∞h
174 O2+ diatomic oxygen cation 2ΠgD∞h
175 SO Sulfur monoxide 3ΣC∞v
176 S2 Sulfur diatomic 3ΣgD∞h
177 S2+ sulfur diatomic cation 2ΠD∞h
178 Se2 Selenium diatomic 3ΣgD∞h
179 LiOH lithium hydroxide 1ΣC∞v
180 NaOH sodium hydroxide 1ΣC∞v
181 BeOH beryllium monohydroxide 2A'Cs
182 MgOH magnesium hydroxide 2A'Cs
183 HBO Boron hydride oxide 1ΣC∞v
184 HCO Formyl radical 2A'Cs
185 HNO Nitrosyl hydride 1A'Cs
186 HO2 Hydroperoxy radical 2A"Cs
187 HSO+ Sulfur Monoxide, S-protonated   
188 SOH Sulfur Hydroxide   
189 SOH+ Sulfur Monoxide, protonated   
190 H2CS Thioformaldehyde 1A1C2v
191 H2CSe Selenoformaldehyde   
192 H2O2 Hydrogen peroxide 1AC2
193 H2S2 Disulfane 1AC2
194 H2S2+ hydrogen disulfide cation 2BgC2h
195 CH2OH Hydroxymethyl radical 2AC1
196 CH2OH+ hydroxymethyl cation 1A'Cs
197 CH3O Methoxy radical 2A'C1
198 H2CSH+ Thioformaldehyde, protonated 1A'Cs
199 NH2OH hydroxylamine 1A'Cs
200 H2POH Phosphinous acid 1A1'CS trans
201 H2POH Phosphinous acid 1A1'CS cis
202 H3PO Phosphine oxide 1A1C3v
203 CH3SH Methanethiol 1A'Cs
204 H2OH2O water dimer 1A'Cs
205 CH3SH2+ protonated methylsulfide 1A'Cs
206 LiF lithium fluoride 1ΣC∞v
207 LiCl lithium chloride 1ΣC∞v
208 NaF sodium fluoride 1ΣC∞v
209 NaF- sodium fluoride anion 2ΣC∞v
210 NaF+ sodium fluoride cation 2ΣC∞v
211 LiF- lithium fluoride anion 2ΣC∞v
212 LiF+ lithium fluoride cation 2ΠC∞v
213 BeF Beryllium monofluoride 2ΣC∞v
214 BeF- Beryllium monofluoride anion 1ΣC∞v
215 BeF+ Beryllium monofluoride cation 1ΣC∞v
216 MgF Magnesium monofluoride 2ΣC∞v
217 MgF- magnesium fluoride anion 1ΣC∞v
218 MgF+ magnesium fluoride cation 1ΣC∞v
219 BF Boron monofluoride 1ΣC∞v
220 AlCl Aluminum monochloride 1ΣC∞v
221 CF Fluoromethylidyne 2ΠC∞v
222 CF- carbon monofluoride anion 3ΣC∞v
223 CF- carbon monofluoride anion 1ΣC∞v
224 SiF silicon monofluoride 2ΠC∞v
225 SiF+ silicon monofluoride cation 1ΣC∞v
226 NF nitrogen fluoride 3ΣC∞v
227 NF nitrogen fluoride 1ΣC∞v
228 NCl nitrogen monochloride 3ΣC∞v
229 FO Oxygen monofluoride 2ΠC∞v
230 ClO Monochlorine monoxide 2ΠC∞v
231 SF Monosulfur monofluoride 2ΠC∞v
232 SF+ sulfur monofluoride cation 3ΣC∞v
233 SCl sulfur monochloride 2ΠC∞v
234 SCl+ sulfur monochloride cation 3ΣgC∞v
235 SBr Sulfur monobromide radical   
236 F2 Fluorine diatomic 1ΣgD∞h
237 F2- flourine diatomic anion 2ΣuD∞h
238 F2+ flourine diatomic cation 2ΠgD∞h
239 ClF Chlorine monofluoride 1Σ+C∞v
240 Cl2- chlorine diatomic anion 2ΣuD∞h
241 Cl2+ chlorine diatomic cation 2ΠgD∞h
242 HCF Fluoromethylene 1A'Cs
243 HOF Hypofluorous acid 1A'Cs
244 CH2Cl chloromethyl radical 2A'Cs
245 CH3F Methyl fluoride 1A1C3v
246 CH3Cl Methyl chloride 1A1C3v
247 SiH3Cl chlorosilane 1A1C1
248 C3 carbon trimer 1ΣgD∞h
249 C3H3 Propargyl radical 2B1Cs
250 CH2CCH2 allene 1A1D2d
251 C3H7 n-Propyl radical 2A"C1
252 Si3H8 trisilane   
253 HN3 hydrogen azide 1A'Cs
254 CH3NC methyl isocyanide 1A1C3v
255 Li2O dilithium oxide 1ΣgD∞h
256 Li2S dilithium sulfide 1ΣGD∞h
257 Li2S dilithium sulfide 1A1C2v
258 BO2 Boron dioxide 2A'D∞h
259 N2O Nitrous oxide 1ΣC∞v
260 NNS Nitrogen sulfide 1ΣC∞v
261 OCS Carbonyl sulfide 1ΣC∞v
262 SiS2 Silicon disulfide 1ΣGD∞h
263 NO2 Nitrogen dioxide 2A1C2v
264 NSO sulfinyl amidogen   
265 SNO Nitrogen oxide sulfide   
266 O3 Ozone 1A1Cs
267 SO2 Sulfur dioxide 1A1C2v
268 S3 Sulfur trimer   
269 S3+ Sulfur trimer cation 2B2C2v
270 HCCO ketenyl radical 2A"Cs
271 HCNO fulminic acid 1ΣC∞v
272 HOCN cyanic acid 1A'Cs
273 HCO2- formate anion 1A1C2v
274 HOCO Hydrocarboxyl radical 1A'cis
275 HNO2 Nitrous acid 1A'Cs
276 CH2CO Ketene 1A1C2v
277 HCCOH ethynol 1A'Cs
278 CH2CS Thioketene   
279 HSSSH trisulfane 1AC2
280 HSSSH trisulfane 1A'Cs
281 CH3CO Acetyl radical 2A'Cs
282 CH3OO methylperoxy radical 2A"Cs
283 CH2CHOH ethenol 1A'Cs
284 C2H4S Thiirane 1A1C2v
285 CH3CHS Thioacetaldehyde 1A'C1
286 CH3OOH Methyl peroxide 1AC1
287 CH3SSH Hydrogen methyl disulfide   
288 CH3CH2SH ethanethiol 1A'Cs
289 FCN Cyanogen fluoride 1ΣC∞v
290 FNO Nitrosyl fluoride 1A'Cs
291 FNS Thionitrosyl fluoride 1A'Cs
292 FSN Thiazyl fluoride 1A'Cs
293 CF2 Difluoromethylene 1A1D∞h
294 GeCl2 Germanium dichloride 1A1C2v
295 OClO Chlorine dioxide 2B1D∞h
296 ClSO Sulfur chloride oxide 2A"Cs
297 NF2 Difluoroamino radical 2B1C2v
298 FClO chlorosyl fluoride 1A'Cs
299 F2O Difluorine monoxide 1A1C2v
300 ClOF Chlorine hypofluorite 1A'Cs
301 SF2 sulfur difluoride 1A1C2v
302 SCl2 Sulfur dichloride 1A1C2v
303 SeCl2 Selenium Dichloride   
304 SBr2 Sulfur dibromide   
305 SeBr2 Selenium dibromide   
306 HCCF Fluoroacetylene 1ΣC∞v
307 HFCO formyl fluoride 1A'Cs
308 BHF2 Difluoroborane 1A1C2v
309 CH2F2 Methane, difluoro- 1A1C2v
310 CH2Cl2 Methylene chloride 1A1C2v
311 C4 Carbon tetramer 3ΣgD∞h
312 C4H2 Diacetylene 1ΣgD∞h
313 C2H3CCH 1-Buten-3-yne 1A'C1
314 H2CCCCH2 Butatriene 1AgD2h
315 C4H6 1-Methylcyclopropene 1AC1
316 C4H6 Cyclobutene 1A1C2v
317 C4H6 Methylenecyclopropane 1A1C2v
318 CH2CCHCH3 1,2-Butadiene 1A'C1
319 CH3CCCH3 2-Butyne 1A1'D3h
320 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
321 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
322 C(CH3)3 Tert-butyl radical 2A"C3v
323 CH2CH(CH3)2 Isobutyl radical 2A'C1
324 CH3CHCH2CH3 2-Butyl radical 1AC1
325 C2N2 Cyanogen 1ΣgD∞h
326 HCCCN Cyanoacetylene 1ΣC∞v
327 C3H7N Cyclopropylamine 1A'C1
328 B2O2 Diboron dioxide 1ΣgD∞h
329 S2N2 Disulfur dinitride 1AGD2h
330 CO3-- carbonate 1A1'D3h
331 CS3-- Carbonotrithioate   
332 NO3 Nitrogen trioxide 2A1'all bonds equal
333 NO3- nitrate anion 1A1'D3h
334 SO3 Sulfur trioxide 1A1'D3h
335 S4 Sulfur tetramer   
336 S4 Sulfur tetramer   
337 S4 Sulfur tetramer   
338 HNO3 Nitric acid 1A'Cs
339 CH3ONO Methyl nitrite 1A'C1
340 H3AlO3 Aluminum hydroxide   
341 C3H4O allenol 1A'Cs
342 C3H4O Cyclopropanone 1A1C2v
343 C3H4O Methylketene 1A'Cs
344 CH3CSNH2 Ethanethioamide   
345 CH3OC2H5 Ethane, methoxy- 1A'Cs
346 C2F2 difluoroacetylene 1ΣgD∞h
347 N2F2 (Z)-Difluorodiazene 1A1C2v
348 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
349 Cl2CS Thiophosgene 1A1C2v
350 BF3 Borane, trifluoro- 1A'D3h
351 AlF3 Aluminum trifluoride 1A1'D3h
352 CF3 Trifluoromethyl radical 2A1C3v
353 ClO2F Chloryl fluoride 1A'Cs
354 F2SO Thionyl Fluoride 1A'Cs
355 FSSF Difluorodisulfane 1AC2
356 S2F2 Thio-thionyl fluoride 1A'Cs
357 SSCl2 Thiothionyl chloride   
358 NF3 Nitrogen trifluoride 1A1C3v
359 SF3 Sulfur trifluoride 2A'Cs
360 ClF3 Chlorine trifluoride 1A1'D3h
361 ClF3 Chlorine trifluoride 1A1C2v
362 HClO3 Chloric Acid 1AC1
363 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
364 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
365 CH3COF Acetyl fluoride 1A'NULL
366 C5H6 1,3-Cyclopentadiene 1A1C2v
367 C5H6 3-Penten-1-yne, (E)- 1A'Cs
368 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
369 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
370 C5H6 Cyclopropylacetylene 1A'C1
371 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
372 C5H8 1,2-Pentadiene 1A'C1
373 C5H8 1,3-Pentadiene, (E)- 1A'C1
374 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
375 C5H8 1,4-Pentadiene 1AC2
376 C5H8 2,3-Pentadiene 1AC1
377 C5H8 Cyclobutane, methylene- 1A'Cs
378 C5H10 1-Butene, 2-methyl- 1AC1
379 C5H10 2-Butene, 2-methyl- 1A'Cs
380 C5H10 2-Pentene, (E)- 1A'Cs
381 C5H10 2-Pentene, (Z)- 1AC1
382 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
383 C5H11 2-Methylbut-2-yl radical 1AC1
384 C5H12 Propane, 2,2-dimethyl- 1A1Td
385 N2O3 Dinitrogen trioxide 1A'Cs
386 C4H5N (E)-2-Butenenitrile 1A'Cs
387 C4H5N (Z)-2-Butenenitrile 1A'Cs
388 C4H5N Cyclopropanecarbonitrile 1A'Cs
389 C4H9N Cyclobutylamine 1A'Cs
390 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
391 C3O2 Carbon suboxide 1ΣGD∞h
392 H2SO4 Sulfuric acid 1AC1
393 CH3NO3 Methyl nitrate 1A'Cs
394 C3H4O2 propanedial 1AC1
395 C3H4O2 propenalol 1A'Cs
396 CH3OCH2CN Methoxyacetonitrile 1AC1
397 C4H6O cis-2-butenal 1ACs
398 C4H6O Cyclobutanone 1A1C2v
399 C4H6O Furan, 2,3-dihydro- 1AC1
400 C4H6O Furan, 2,5-dihydro- 1A1Cs
401 CHOCHCHCH3 2-Butenal 1A'Cs
402 C2H6N2O Urea, methyl- 1AC1
403 C3H6O2 1,3-Dioxolane 1AC1
404 C2H6O2S Dimethyl sulfone 1A1C2v
405 C4H8O Cyclobutanol 1A'C1
406 C3H8O2 1,3-Propanediol 1A1C1
407 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
408 C4H10O 2-Butanol, (.+/-.)- 1AC1
409 C4H10O Propane, 2-methoxy- 1A'Cs
410 FNO3 Fluorine nitrate 1A'Cs
411 BF4- tetrafluoroboron anion 1A1Td
412 F3NO Nitrogen trifluoride oxide 1A1C3v
413 CF2Cl2 difluorodichloromethane 1A1C2v
414 SF4 Sulfur tetrafluoride 1A1C2v
415 HClO4 perchloric acid 1ACs
416 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
417 SiH3CCl3 (trichloromethyl)silane 1A1C3v
418 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
419 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
420 C6H5 phenyl 2A1C2v
421 C6H6 2,4-Hexadiyne 1A1'D3h
422 C6H8 (E)-hexa-1,3,5-triene 1AgCs
423 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
424 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
425 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
426 C6H8 1,4-Cyclohexadiene 1AgC2v
427 C6H8 3-Methylenecyclopentene 1AC1
428 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
429 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
430 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
431 C6H10 1,3-Hexadiene, (E)- 1A'Cs
432 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
433 C6H10 1,4-Hexadiene, (E)- 1AC1
434 C6H10 1,4-Hexadiene, (Z)- 1AC1
435 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
436 C6H10 1-Hexyne 1A'Cs
437 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
438 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
439 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
440 C6H10 2-Hexyne 1A'C1
441 C6H10 3-Hexyne 1A1C2v
442 C6H10 Cyclopentene, 1-methyl- 1AC1
443 C6H10 Cyclopentene, 3-methyl- 1AC1
444 C6H10 Cyclopentene, 4-methyl- 1AC1
445 C6H12 (E)-3-methylpent-2-ene 1AC1
446 C6H12 (Z)-3-methylpent-2-ene 1AC1
447 C6H12 3-methylenepentane 1AC1
448 C6H12 Ethylcyclobutane 1AC1
449 C6H12 hex-1-ene 1A'Cs
450 C4N2 2-Butynedinitrile 1ΣgD∞h
451 CH3N5 5-Aminotetrazole 1AC1
452 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
453 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
454 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
455 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
456 C6H6 Fulvene 1A1C2v
457 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
458 C5H7N (E)-2-Pentenenitrile 1A'Cs
459 C5H7N (E)-3-Pentenenitrile 1AC1
460 C5H7N (Z)-2-Pentenenitrile 1AC1
461 C5H7N Cyclobutanecarbonitrile 1A'Cs
462 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
463 C5H9N Butanenitrile, 2-methyl- 1AC1
464 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
465 C5H11N Cyclopentanamine 1A'Cs
466 C4H12N2 1,2-Butanediamine 1AC1
467 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
468 N2O4 Dinitrogen tetroxide 1AgD2d
469 C2H3NO3 Oxamic acid 1A'H out
470 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
471 C2H4N2O2 Oxalamide 1AgC2h
472 C4H5NO 3-Methylisoxazole 1AC1
473 C4H5NO Isoxazole, 5-methyl- 1AC1
474 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
475 C2H6N2O2 Dimethylnitroamine 1AC1
476 C4H7NO 2-Pyrrolidinone 1AC1
477 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
478 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
479 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
480 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
481 NH2CONHC2H5 Urea, ethyl- 1AC1
482 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
483 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
484 C4H9NO Butanamide 1AC1
485 C4H9NO Propanamide, 2-methyl- 1AC1
486 C5H10O 2-Butanone, 3-methyl- 1AC1
487 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
488 C4H10O2 1,1-Dimethoxyethane 1A'Cs
489 C4H11NO Diethylhydroxylamine 1A'Cs
490 C5H12O 2-Butanol, 3-methyl- 1AC1
491 C5H12O 2-Pentanol 1AC1
492 C5H12O 3-Pentanol 1AC1
493 C5H12O Butane, 1-methoxy- 1A'Cs
494 C5H12O Propane, 1-ethoxy- 1A'Cs
495 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
496 B2F4 Diboron tetrafluoride 1AGD2h
497 SiF5- silicon pentafluoride anion   
498 SOF4 Sulfur tetrafluoride oxide 1A1C2v
499 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
500 C6H5CH2 benzyl radical 2B1Cs
501 C7H16 2-methylhexane 1AC1
502 C5H5NO 2(1H)-Pyridinone 1A'Cs
503 C5H5NO 2(3H)-Pyridinone 1ACs
504 C5H5NO 2(5H)-Pyridinone 1A'Cs
505 C5H5NO 3(2H)-Pyridinone 1A'Cs
506 C5H5NO 3(4H)-Pyridinone 1A'C1
507 C5H5NO 3(6H)-Pyridinone 1A'Cs
508 C5H5NO 4(1H)-Pryidinone 1A'Cs
509 C5H5NO 4(3H)-Pryidinone 1A'Cs
510 C5H5NO 4-Pyridinol 1A'Cs
511 C6H6O 2,4-Cyclohexadienone 1ACs
512 PF6- Hexafluorophosphate ion 1A1GOh
513 SF5Cl sulfur chloropentafluoride 1A1C4v
514 C6H5F Fluorobenzene 1A1C2v
515 C6H5CCH phenylacetylene 1A1C2v
516 C8H8 cyclooctatetraene 1A1D2d
517 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 Li- Lithium atom anion li-  
8 Li+ Lithium atom cation li+  
9 Na- Sodium atom anion na-  
10 K Potassium atom k  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 NaH- sodium hydride anion nah-  
17 NaH+ sodium hydride cation nah+  
18 KH Potassium hydride kh  
19 KH+ Potassium hydrogen cation kh+  
20 CuH Copper monohydride cuh  
21 Be- Beryllium atom anion be-  
22 Be+ Beryllium atom cation be+  
23 Mg- Magnesium atom anion mg-  
24 Mg+ Magnesium atom cation mg+  
25 Ca Calcium atom ca  
26 Ca- Calcium atom anion ca-  
27 Ca+ Calcium atom cation ca+  
28 Zn Zinc atom zn  
29 Zn- Zinc atom anion zn-  
30 Zn+ Zinc atom cation zn+  
31 CaH Calcium monohydride cah  
32 CaH+ Calcium monohydride cation cah+  
33 TiH Titanium monohydride tih  
34 ZnH Zinc monohydride znh  
35 ZnH+ Zinc, protonated znh+  
36 BeH2+ Beryllium dihydride cation beh2+  
37 CaH2 Calcium Hydride cah2  
38 ZnH2 Zinc hydride znh2  
39 B- Boron atom anion b-  
40 B+ Boron atom cation b+  
41 Al Aluminum atom al  
42 Al- Aluminum atom anion al-  
43 Al+ Aluminum atom cation al+  
44 Sc Scandium atom sc  
45 Sc+ Scandium cation sc+  
46 Ga Gallium atom ga  
47 Ga- Gallium atom anion ga-  
48 Ga+ Gallium atom cation ga+  
49 BH+ boron monohydride cation bh+  
50 AlH- aluminum monohydride anion alh-  
51 AlH+ aluminum monohydride cation alh+  
52 ScH Scandium monohydride sch  
53 ScH+ Scandium monohydride cation sch+  
54 GaH Gallium monohydride gah  
55 GaH+ Gallium monohydride cation gah+  
56 BH2- boron dihydride anion bh2-  
57 BH2+ Boron dihydride cation bh2+  
58 AlH2 aluminum dihydride alh2  
59 AlH2- aluminum dihydride anion alh2-  
60 AlH2+ aluminum dihydride cation alh2+  
61 BH3- boron trihydride anion bh3-  
62 AlH3 aluminum trihydride alh3  
63 AlH3- aluminum trihydride anion alh3-  
64 AlH3+ aluminum trihydride cation alh3+  
65 ScH3 Scandium trihydride sch3  
66 GaH3 Gallium trihydride gah3  
67 BH4 borohydride bh4  
68 AlH4- Aluminum tetrahydride anion alh4-  
69 C- Carbon atom anion c-  
70 C+ Carbon atom cation c+  
71 Si- Silicon atom anion si-  
72 Si+ Silicon atom cation si+  
73 Ti Titanium atom ti  
74 Ti- Titanium atom anion ti-  
75 Ti+ Titanium atom cation ti+  
76 Ge Germanium atom ge  
77 Ge- Germanium anion ge-  
78 Ge+ Germanium cation ge+  
79 Sn Tin atom sn  
80 Sn+ Tin cation sn+  
81 SiH Silylidyne sih  
82 SiH- silicon monohydride anion sih-  
83 SiH+ silicon monohydride cation sih+  
84 GeH germylidene geh  
85 GeH+ Germaniun monohyrdide cation geh+  
86 CH2- methylene anion ch2-  
87 SiH2- silicon dihydride anion sih2-  
88 SiH2+ silicon dihydride cation sih2+  
89 GeH2 germylene geh2  
90 GeH2- germylene anion geh2-  
91 SiH3- Silyl anion sih3-  
92 SiH3+ Silyl cation sih3+  
93 GeH3 Germyl radical geh3  
94 GeH3+ germyl cation geh3+  
95 CD4 methane-d4 cd4  
96 CH2D2 methane-d2 ch2d2  
97 CH3D methane-d ch3d  
98 CH4 Methane ch4  
99 CH4- Methane anion ch4-  
100 CH4+ Methane cation ch4+  
101 CHD3 methane-d3 chd3  
102 SiH2D2 silane-d2 sih2d2  
103 SiH4+ Silane cation sih4+  
104 GeH4 Germane geh4  
105 SnH4 Stannane snh4  
106 SiH5+ Silane, protonated sih5+  
107 N Nitrogen atom n  
108 N- Nitrogen atom anion n-  
109 N+ Nitrogen atom cation n+  
110 P- Phosphorus atom anion p-  
111 P+ Phosphorus atom cation p+  
112 V Vanadium atom v  
113 V+ Vanadium atom cation v+  
114 As Arsenic atomic as  
115 As- Arsenic anion as-  
116 As+ Arsenic cation as+  
117 Sb Antimony atom sb  
118 PH phosphorus monohydride ph  
119 PH- phosphorus monohydride anion ph-  
120 PH+ phosphorus monohydride cation ph+  
121 AsH Arsenic monohydride ash  
122 AsH+ Arsenic monohydride cation ash+  
123 SbH Antimony monohydride sbh  
124 NH2+ Amino cation nh2+  
125 PH2 Phosphino radical ph2  
126 PH2- Phosphino anion ph2-  
127 PH2+ Phosphino cation ph2+  
128 AsH2 Arsenic dihydride ash2  
129 AsH2+ Arsenic dihydride cation ash2+  
130 NH3- Ammonia anion nh3-  
131 PH3+ Phosphine cation ph3+  
132 AsH3 Arsine ash3  
133 AsH3+ Arsine cation ash3+  
134 SbH3 Stibine sbh3  
135 AsH4+ Arsonium ash4+  
136 NH4 Ammonium radical nh4  
137 PH4 Phosphoranyl radical ph4  
138 O- Oxygen atom anion o-  
139 O+ Oxygen atom cation o+  
140 S- Sulfur atom anion s-  
141 S+ Sulfur atom cation s+  
142 Cr Chromium atom cr  
143 Se Selenium atom se  
144 Se- Selenium atom anion se-  
145 Se+ Selenium atom cation se+  
146 Te Tellurium atom te  
147 Te+ Tellurium atom cation te+  
148 DS Mercapto-d ds  
149 HS- mercapto anion sh-  
150 HS+ sulfur monohydride cation sh+  
151 CrH Chromium hydride crh  
152 CrH+ Chromium hydride cation crh+  
153 HSe Selenium monohydride hse  
154 HSe- selenium monohydride anion hse-  
155 HSe+ selenium monohydride cation hse+  
156 TeH Telluryl radical teh  
157 H2O- water anion h2o-  
158 H2O+ water cation h2o+  
159 H2S- Hydrogen sulfide anion h2s-  
160 H2Se Hydrogen selenide h2se  
161 H2Se+ Hydrogen selenide cation h2se+  
162 H2Te Hydrogen Telluride h2te  
163 H3Se+ Hydrogen Selenide, protonated h3se+  
164 F- Fluorine atom anion f-  
165 F+ Fluorine atom cation f+  
166 Cl- Chlorine atom anion cl-  
167 Cl+ Chlorine atom cation cl+  
168 Mn Manganese atom mn  
169 Br Bromine atom br  
170 Br- Bromine atom anion br-  
171 Br+ Bromine atom cation br+  
172 I Iodine atom iodine  
173 I- Iodine atom anion iodine-  
174 I+ Iodine atom cation iodine+  
175 DCl Hydrochloric acid-d dcl  
176 HCl- hydrogen chloride anion hcl-  
177 HBr hydrogen bromide hbr  
178 HBr- hydrogen bromide anion hbr-  
179 HBr+ hydrogen bromide cation hbr+  
180 HI Hydrogen iodide hi  
181 HI+ Hydrogen iodide cation hi+  
182 H2Br+ protonated hydrogen bromide h2br+  
183 H2I+ Iodonium h2i+  
184 Ne- Neon atom anion ne-  
185 Ne+ Neon atom cation ne+  
186 Ar Argon atom ar  
187 Ar- Argon atom anion ar-  
188 Ar+ Argon atom cation ar+  
189 Fe Iron atom fe  
190 Kr Krypton atom kr  
191 Kr+ Krypton cation kr+  
192 Xe Xenon atom xe  
193 HeLi+ Helium Lithium cation heli+  
194 NeH neon hydrogen neh  
195 ArH+ Argon hydride cation arh+  
196 KrH+ Protonated Krypton krh+  
197 XeH+ Xenon, protonated xeh+  
198 H2Ar H2 Ar dimer h2ar  
199 Co Cobalt atom cobalt  
200 Ni Nickel atom ni  
201 Li2+ lithium diatomic cation li2+  
202 LiK Lithium Potassium lik  
203 NaK Sodium Potassium nak  
204 NaK+ Sodium Potassium diatomic cation nak+  
205 K2 Potassium diatomic k2  
206 Cu2 Copper diatomic cu2  
207 LiBe Lithium Beryllium libe  
208 LiMg Lithium magnesium limg  
209 NaBe Sodium Beryllium nabe  
210 NaMg Sodium Magnesium namg  
211 Be2 Beryllium diatomic be2  
212 BeMg Beryllium Magnesium bemg  
213 Ca2 Calcium diatomic ca2  
214 LiB Lithium boride lib  
215 LiAl Lithium Aluminum lial  
216 NaAl Sodium aluminum naal  
217 BeB Beryllium monoboride beb  
218 B2- Boron diatomic anion b2-  
219 B2+ Boron diatomic cation b2+  
220 Al2 Aluminum diatomic al2  
221 Al2- aluminum diatomic anion al2-  
222 Al2+ aluminum diatomic cation al2+  
223 BGa Boron Gallium bga  
224 AlGa Aluminum Gallium alga  
225 Ga2 Gallium diatomic ga2  
226 HBBH Diborane(2) hbbh  
227 LiBH4 Lithium borohydride libh4  
228 B2H4 Diborane(4) D2d b2h4  
229 HBHHBH Diborane(4) C2V hbhhbh  
230 B2H6+ Diborane cation b2h6  
231 Al2H6 dialane al2h6  
232 Ga2H6 digallane ga2h6  
233 LiC Lithium Carbide lic  
234 BeC Beryllium Carbide bec  
235 CaC Calcium monocarbide cac  
236 BC boron monocarbide bc  
237 BSi Boron silicide bsi  
238 C2+ carbon diatomic cation c2+  
239 SiC- silicon monocarbide anion sic-  
240 SiC+ silicon monocarbide cation sic+  
241 Si2 Silicon diatomic si2  
242 Si2- silcon diatomic anion si2-  
243 Si2+ silcon diatomic cation si2+  
244 GeC Germanium monocarbide gec  
245 SiGe Silicon Germanium sige  
246 Ge2 Germanium diatomic ge2  
247 ZnCH2 Zinc methylene znch2  
248 C2H2 Acetylene c2h2  
249 C2H2+ acetylene cation c2h2+  
250 CCH2 vinylidene vinylidene  
251 H2CC- vinylidene anion h2cc-  
252 HCCH- acetylene anion c2h2-  
253 Si2H2 disilyne si2h2  
254 CuCH3 monomethyl copper cuch3  
255 ZnCH3 Zinc monomethyl znch3  
256 CH2BH methyleneborane ch2bh  
257 C2H3- vinyl anion c2h3-  
258 C2H4 Ethylene c2h4  
259 C2H4- Ethylene anion c2h4-  
260 C2H4+ Ethylene cation c2h4+  
261 CH2SiH2 silaethylene ch2sih2  
262 Si2H4 Disilene si2h4  
263 CH3BH2 methylborane ch3bh2  
264 C2H5- Ethyl anion c2h5-  
265 C2H5+ Ethyl cation c2h5+  
266 C2H6 Ethane c2h6  
267 C2H6+ ethane cation c2h6+  
268 CH3SiH3 methyl silane ch3sih3  
269 GeH3CH3 methyl germane geh3ch3  
270 C2H7+ Ethane, protonated c2h7+  
271 LiP Lithium monophosphide lip  
272 BeN Beryllium mononitride ben  
273 BeN+ Beryllium mononitride cation ben+  
274 MgN Magnesium Nitride mgn  
275 BN- boron nitride anion bn-  
276 AlN- aluminum mononitride anion aln-  
277 AlN+ aluminum mononitride cation aln+  
278 BP Boron monophosphide bp  
279 AlP Aluminum monophosphide alp  
280 GaN Gallium mononitride gan  
281 GaP Gallium monophosphide gap  
282 GaAs Gallium arsenide gaas  
283 BN+ boron nitride cation bn+  
284 CP Carbon monophosphide cp  
285 CP- carbon monophosphide anion cp-  
286 CP+ carbon monophosphide cation cp+  
287 SiN Silicon nitride sin  
288 SiN- silicon mononitride anion sin-  
289 SiN+ silicon mononitride cation sin+  
290 SiP- Silicon monophosphide anion sip-  
291 SiP+ Silicon monophosphide cation sip+  
292 TiN Titanium mononitride tin  
293 PN Phosphorus mononitride pn  
294 PN- phosphorus nitride anion pn-  
295 PN+ phosphorus nitride cation pn+  
296 P2- phosphorus diatomic anion p2-  
297 P2+ phosphorus diatomic cation p2+  
298 AsN Arsenic mononitride asn  
299 AsP Arsenic monophosphide asp  
300 SbN Antimony nitride sbn  
301 As2 Arsenic diatomic as2  
302 HCN Hydrogen cyanide hcn  
303 HCN- Hydrogen cyanide anion hcn-  
304 HCN+ hydrogen cyanide cation hcn+  
305 HNC+ hydrogen isocyanide cation hnc+  
306 HCP Phosphaethyne hcp  
307 HCP+ Phosphaethyne cation hcp+  
308 NNH+ Dinitrogen monohydride cation nnh+  
309 HPO Hydrogen phosphorus oxide hpo  
310 HPO+ Hydrogen phosphorus oxide cation hpo+  
311 LiNH2 lithium amide linh2  
312 HBNH Boranimine hbnh  
313 CNH2 Aminomethylidyne radical cnh2  
314 CNH2+ N-protonated hydrogen isocyanide cnh2+  
315 H2CN Dihydrogen cyanide radical h2cn  
316 H2CN+ hydrocyanonium cation h2cn+  
317 HCNH methyleneazane hcnh  
318 HCNH+ N-protonated HCN hcnh+  
319 H2NN Isodiazene h2nn  
320 N2H2 (Z)-Diazene n2h2z  
321 N2H2+ trans-diazene cation n2h2+  
322 CH2NH+ Methanimine cation ch2nh+  
323 CHNH2 aminomethylene chnh2  
324 CHNH2+ Aminocarbene cation chnh2+  
325 BH2NH2 Boranamine bh2nh2  
326 N2H4 Hydrazine n2h4  
327 N2H4+ hydrazine cation n2h4+  
328 P2H4 Diphosphine p2h4  
329 CH3NH2 methyl amine ch3nh2  
330 CH3NH2+ methyl amine cation ch3nh2+  
331 CH3PH2 Methyl phosphine ch3ph2  
332 SiH3NH2 Silane, amino sih3nh2  
333 N2H5+ protonated hydrazine n2h5+  
334 CH3NH3 methyl ammonium radical ch3nh3  
335 CH3PH3+ methyl phosphine, protonated ch3ph3+  
336 NH3NH3 Ammonia Dimer nh3nh3  
337 N2H7+ ammonia ammonium dimer n2h7+  
338 LiS+ Lithium sulfide cation lis+  
339 KO Potassium monoxide ko  
340 KO+ Potassium monoxide cation ko+  
341 NaS Sodium sulfide nas  
342 CuO Copper Monoxide cuo  
343 LiSe Lithium monoselenide lise  
344 BeS beryllium sulfide bes  
345 CaO Calcium monoxide cao  
346 MgS magnesium sulfide mgs  
347 MgS- magnesium sulfide anion mgs-  
348 MgS+ magnesium sulfide cation mgs+  
349 ZnO zinc monoxide zno  
350 ZnS Zinc sulfide zns  
351 BeS- Beryllium monosulfide anion bes-  
352 BeS+ Beryllium monosulfide cation bes+  
353 AlO Aluminum monoxide alo  
354 AlO- Aluminum monoxide anion alo-  
355 AlO+ aluminum monoxide cation alo+  
356 BS boron sulfide bs  
357 BS- boron monosulfide anion bs-  
358 BS+ boron monosulfide cation bs+  
359 AlS Aluminum sulfide als  
360 AlS- aluminum monosulfide anion als-  
361 AlS+ aluminum monosulfide cation als+  
362 ScO Scandium monoxide sco  
363 GaO Gallium monoxide gao  
364 GaS Gallium monosulfide gas  
365 BO+ boron monoxide cation bo+  
366 CS carbon monosulfide cs  
367 CS- carbon monosulfide anion cs-  
368 CS+ carbon monosulfide cation cs+  
369 SiO Silicon monoxide sio  
370 SiO- silicon monoxide anion sio-  
371 SiO+ silicon monoxide cation sio+  
372 SiS silicon monosulfide sis  
373 SiS- silicon monosulfide anion sis-  
374 SiS+ silicon monosulfide cation sis+  
375 TiO Titanium monoxide tio  
376 CSe Carbon monoselenide cse  
377 CSe- Carbon monoselenide anion cse-  
378 CSe+ Carbon monoselenide cation cse+  
379 GeO+ Germanium monoxide cation geo+  
380 GeS Germanium monosulfide ges  
381 SiSe+ Silicon Monoselenide cation sise+  
382 GeSe Germanium monoselenide gese  
383 NS Mononitrogen monosulfide ns  
384 NS- nitrogen sulfide anion ns-  
385 NS+ nitrogen sulfide cation ns+  
386 PO- phosphorus monoxide anion po-  
387 PO+ phosphorus monoxide cation po+  
388 PS- phosphorus monosulfide anion ps-  
389 PS+ phosphorus monosulfide cation ps+  
390 VO Vanadium monoxide vo  
391 AsO Arsenic monoxide aso  
392 NSe Nitrogen monoselenide nse  
393 AsS Arsenic monosulfide ass  
394 PSe Phosphorus monoselenide pse  
395 AsSe Arsenic monoselenide asse  
396 O2-- dioxygen dianion o2--  
397 SO- sulfur monoxide anion so-  
398 SO+ sulfur monoxide cation so+  
399 S2- sulfur diatomic anion s2-  
400 SeO Selenium monoxide seo  
401 SeO- selenium monoxide anion seo-  
402 SeO+ selenium monoxide cation seo+  
403 SeS Selenium monosulfide ses  
404 SeS- selenium monosulfide anion ses-  
405 SeS+ selenium monosulfide cation ses+  
406 TeO Tellurium monoxide teo  
407 Se2- selenium diatomic anion se2-  
408 Se2+ selenium diatomic cation se2+  
409 Te2 Tellurium diatomic te2  
410 KOH Potassium hydroxide koh  
411 CaOH Calcium monohydroxide caoh  
412 HBS hydrogen boron sulfide hbs  
413 COH Hydroxymethylidyne coh  
414 COH+ Carbon Monoxide, protonated coh+  
415 HCO- formyl anion hco-  
416 HCS Thioformyl radical hcs  
417 HCS- Thioformyl anion hcs-  
418 HCS+ Thioformyl cation hcs+  
419 HNO- Nitrosyl hydride anion hno-  
420 NOH Hydroxyimidogen noh  
421 NOH+ O-protonated nitric oxide noh+  
422 HNS Sulfur imide hns  
423 HNS- Sulfur imide anion hns-  
424 HO2+ Hydroperoxy cation ho2+  
425 HS2 Thiosulfeno radical hs2  
426 H2CO Formaldehyde h2co  
427 H2CO- formaldehyde anion h2co-  
428 H2CO+ formaldehyde cation h2co+  
429 HOCH hydroxycarbene hoch  
430 H2CS- thioformaldehyde anion h2cs-  
431 H2CS+ thioformaldehyde cation h2cs+  
432 H2NO nitroxide h2no  
433 H2O2+ Hydrogen peroxide cation h2o2+  
434 H2OO water oxide h2oo  
435 HOSH hydrogen thioperoxide hosh  
436 H2Se2 hydrogen diselenide h2se2  
437 CH3O- methoxy anion ch3o-  
438 CH3O+ Methoxy cation ch3o+  
439 CH3S thiomethoxy ch3s  
440 NH2OH+ Hydroxylamine cation nh2oh+  
441 NH3O Ammonia Oxide nh3o  
442 NH2SH Thiohydroxylamine nh2sh  
443 NH3S sulfidoazane nh3s  
444 H3O2+ hydrogen peroxide, protonated h3o2+  
445 CH3OH Methyl alcohol ch3oh  
446 CH3OH- Methyl alcohol anion ch3oh-  
447 CH3OH+ Methyl alcohol cation ch3oh+  
448 CH3SH+ Methanethiol cation ch3sh+  
449 SiH3OH silanol sih3oh  
450 CH3SeH Methane selenol ch3seh  
451 NH2OH2+ protonated hydroxylamine nh2oh2+  
452 NH3OH+ N-protonated hydroxylamine nh3oh+  
453 CH3OH2+ Methanol, protonated ch3oh2+  
454 H2ONH3 Water Ammonia Dimer h2onh3  
455 H5O2+ Dihydroxonium ion h5o2+  
456 LiCl- lithium chloride anion licl-  
457 LiCl+ lithium chloride cation licl+  
458 KF Potassium Fluoride kf  
459 NaCl Sodium Chloride nacl  
460 NaCl- sodium chloride anion nacl-  
461 NaCl+ sodium chloride cation nacl+  
462 KCl Potassium Chloride kcl  
463 CuF Copper monofluoride cuf  
464 LiBr Lithium Bromide libr  
465 LiBr- lithium bromide anion libr-  
466 LiBr+ lithium bromide cation libr+  
467 CuCl Copper monochloride cucl  
468 NaBr Sodium Bromide nabr  
469 NaBr- sodium bromide anion nabr-  
470 NaBr+ sodium bromide cation nabr+  
471 KBr Potassium Bromide kbr  
472 LiI Lithium Iodide lii  
473 NaI Sodium Iodide nai  
474 KI Potassium Iodide ki  
475 BeCl beryllium monochloride becl  
476 CaF Calcium monofluoride caf  
477 MgCl magnesium monochloride mgcl  
478 MgCl- magnesium monochloride anion mgcl-  
479 MgCl+ magnesium monochloride cation mgcl+  
480 CaCl calcium monochloride cacl  
481 TiCl Titanium Monochloride ticl  
482 ZnF Zinc monofluoride znf  
483 ZnF- Zinc monofluoride anion znf-  
484 ZnF+ Zinc monofluoride cation znf+  
485 ZnCl Zinc monochloride zncl  
486 CaBr Calcium monobromide cabr  
487 BeCl- beryllium monochloride anion becl-  
488 BeCl+ beryllium monochloride cation becl+  
489 BF- Boron monofluoride anion bf-  
490 BF+ Boron monofluoride cation bf+  
491 AlF Aluminum monofluoride alf  
492 AlF- Aluminum monofluoride anion alf-  
493 AlF+ Aluminum monofluoride cation alf+  
494 BCl boron monochloride bcl  
495 BCl- boron monochloride anion bcl-  
496 BCl+ boron monochloride cation bcl+  
497 AlCl- aluminum monochloride anion alcl-  
498 AlCl+ aluminum monochloride cation alcl+  
499 ScF Scandium monofluoride scf  
500 BBr Boron monobromide bbr  
501 GaF Gallium monofluoride gaf  
502 GaF+ Gallium monofluoride cation gaf+  
503 AlBr Aluminum monobromide albr  
504 GaCl Gallium monochloride gacl  
505 GaCl+ Gallium monochloride cation gacl+  
506 AlI Aluminum monoiodide ali  
507 GaBr Gallium monobromide gabr  
508 CF+ carbon monofluoride cation cf+  
509 CCl carbon monochloride ccl  
510 CCl- carbon monochloride anion ccl-  
511 CCl+ carbon monochloride cation ccl+  
512 SiF- silicon monofluoride anion sif-  
513 SiCl Clorosilylidyne sicl  
514 SiCl- silicon monochloride anion sicl-  
515 SiCl+ silicon monochloride cation sicl+  
516 CBr Carbon monobromide cbr  
517 GeF Germanium monofluoride gef  
518 GeF+ Germanium monofluoride cation gef+  
519 GeCl Germanium monochloride gecl  
520 GeCl+ Germanium monochloride cation gecl+  
521 SiBr Silicon monobromide sibr  
522 SiBr+ Silicon monobromide cation sibr+  
523 NF- nitrogen monofluorine anion nf-  
524 NF+ nitrogen monofluoirde cation nf+  
525 NCl- nitrogen monochloride anion ncl-  
526 NCl+ nitrogen monochloride cation ncl+  
527 PF phosphorus monofluoride pf  
528 PF- phosphorus monofluoride anion pf-  
529 PF+ phosphorus monofluoride cation pf+  
530 PCl phosphorus chloride pcl  
531 PCl- phosphorus monochloride anion pcl-  
532 PCl+ phosphorus monochloride cation pcl+  
533 AsF Arsenic monofluoride asf  
534 NBr nitrogen monobromide nbr  
535 AsCl Arsenic monochloride ascl  
536 PBr Phosphorus monobromide pbr  
537 SbF Antimony monofluoride sbf  
538 SbCl Antimony monochloride sbcl  
539 FO- flourine oxide anion fo-  
540 FO+ fluorine monoxide cation fo+  
541 ClO- chlorine monoxide anion clo-  
542 ClO+ chlorine monoxide cation clo+  
543 SF- sulfur monofluoride anion sf-  
544 SCl- sulfur monochloride anion scl-  
545 BrO Bromine monoxide bro  
546 BrO- Bromine monoxide anion bro-  
547 BrO+ Bromine monoxide cation bro+  
548 SeF Selenium monofluoride sef  
549 SBr+ Sulfur monobromide cation sbr+  
550 SeCl Selenium monochloride secl  
551 IO Iodine monoxide io  
552 SeBr Selenium monobromide sebr  
553 BrCl Bromine monochloride brcl  
554 ClF- clorine monofluoride anion clf-  
555 ClF+ clorine monofluoride cation clf+  
556 Cl2 Chlorine diatomic cl2  
557 BrF Bromine monofluoride brf  
558 BrF- bromine fluoride anion brf-  
559 BrF+ bromine fluoride cation brf+  
560 BrCl- bromine chloride anion brcl-  
561 BrCl+ bromine chloride cation brcl+  
562 IF Iodine monofluoride if  
563 Br2 Bromine diatomic br2  
564 Br2- bromine diatomic anion br2-  
565 Br2+ bromine diatomic cation br2+  
566 ICl Iodine monochloride icl  
567 IBr Iodine monobromide ibr  
568 I2 Iodine diatomic i2  
569 I2+ Iodine diatomic cation i2+  
570 HCCl Chloromethylene hccl  
571 HSiF fluorosilylene hsif  
572 HSiCl Chlorosilylene hsicl  
573 HSiBr monobromosilylene hsibr  
574 CHBr bromomethylene chbr  
575 DOCl Hypochlorous acid-d docl  
576 HOCl hypochlorous acid hocl  
577 HOCl+ hypochlorous acid cation hocl+  
578 HOBr Hypobromous acid hobr  
579 HOBr+ Hypobromous acid cation hobr+  
580 HOI Hypoiodous acid hoi  
581 F2H+ Fluorine, protonated f2h+  
582 FHF Hydrogen difluoride fhf  
583 FHF- Hydrogen difluoride anion fhf-  
584 ClFH+ Chlorine fluoride, F-protonated clfh+  
585 FClH+ Chlorine fluoride, Cl-protonated fclh+  
586 Cl2H+ Chlorine, protonated cl2h+  
587 CH2Br bromomethyl radical ch2br  
588 CH2F fluoromethyl radical ch2f  
589 CH2F+ fluoromethyl cation ch2f+  
590 CH2Cl+ chloromethyl cation ch2cl+  
591 NH2Cl chloramine nh2cl  
592 H2F2 Hydrogen fluoride dimer h2f2  
593 CH3F+ methyl fluoride cation ch3f+  
594 CD3F methylfluoride-d3 cd3f  
595 CD3Cl methyl chloride d3 cd3cl  
596 CH3Cl+ Methyl chloride cation ch3cl+  
597 SiH3F monofluorosilane sih3f  
598 CH3Br methyl bromide ch3br  
599 GeH3F monofluorogermane geh3f  
600 GeH3Cl monochlorogermane geh3cl  
601 SiH3Br bromosilane sih3br  
602 CH3I methyl iodide ch3i  
603 SiH3I Silyl Iodide sih3i  
604 NH3Cl+ protonated monochloroammonia nh3cl+  
605 CH3ClH+ methyl chloride, protonated ch3clh+  
606 NH4Cl Ammonium chloride nh4cl  
607 LiNe+ Lithium Neon cation line+  
608 Ne2 Neon diatomic ne2  
609 Ne2+ Neon diatomic cation ne2+  
610 Ar2 Argon diatomic ar2  
611 Ar2+ Argon diatomic cation ar2+  
612 Li3 Lithium trimer li3  
613 Li3+ Lithium trimer cation li3+  
614 SiC2 Silicon dicarbide sic2  
615 C3H3 cyclopropenyl radical cpr  
616 C3H3- Propargyl anion c3h3-  
617 CH3CCH propyne propyne  
618 C3H5 Allyl radical allyl  
619 C3H5+ Allyl cation allyl+  
620 CH3CHCH 1-propenyl radical ch3chch  
621 Zn(CH3)2 dimethyl zinc dmz  
622 C3H6 Cyclopropane c3h6  
623 CH2CHCH3 Propene propene  
624 C3H7+ cyclopropane, protonated c3h7+  
625 CH3CHCH3 Isopropyl radical isopropyl  
626 CH3CHCH3+ Isopropyl cation prop2yl+  
627 C3H8 Propane propane  
628 SiH2(CH3)2 dimethylsilane dms  
629 LiCN lithium cyanide licn  
630 NaCN Sodium Cyanide nacn  
631 KCN Potassium cyanide kcn  
632 CuCN Copper cyanide cucn  
633 ZnCN Zinc monocyanide zncn  
634 ZnNC Zinc isocyanide znnc  
635 AlCN Aluminum monocyanide alcn  
636 AlNC Aluminum isocyanide alnc  
637 CN2 3H-Diazirin-3-ylidene cn2  
638 CNN Diazocarbene cnn  
639 NCN Cyanoimidogen ncn  
640 N3- azide anion n3-  
641 N3+ azide cation n3+  
642 HCCN cyanomethylene hccn  
643 HCNN diazomethyl radical hcnn  
644 HN3+ Hydrazoic acid cation hn3+  
645 HNCNH diiminomethane hncnh  
646 CH2N2 diazirine ch2n2  
647 CH2NN diazomethane ch2nn  
648 HNNNH+ 1,2-Triazadienium n2h3+  
649 NH2NN+ hydrazoic acid, protonated nh2nn+  
650 CH3CN Acetonitrile ch3cn  
651 CH3CN- acetonitrile anion ch3cn-  
652 CH3CN+ Acetonitrile cation ch3cn+  
653 CHNCH2 2H-Azirine c157164  
654 CHNHCH 1H-Azirine chnhch  
655 H2CCNH Ethenimine ch2cnh  
656 H2CNCH methyleneaminomethylene ch2nch  
657 HCCNH2 Ethynamine hccnh2  
658 HCNCH2+ 2H-Azirine cation hcnch2+  
659 HNCNH2+ diiminomethane, protonated hncnh2+  
660 NCNH3+ Cyanamide, protonated ncnh3+  
661 NH2CNH+ cyanamide, cn protonated nh2cnh+  
662 NH3CN+ cyanamide, amine protonated nh3cn+  
663 CH2CHNH vinylazine ch2chnh  
664 CH3CHN methylmethaniminyl radical ch3chn  
665 NHCHNH2 aminomethanimine cn2h4  
666 C2H5N Aziridine c2h5n  
667 CH2CHNH2 aminoethene aminoethene  
668 CH3CHNH ethanimine ethanimine  
669 NH2BHNH2 diaminoborane nh2bhnh2  
670 C2H5NH+ Protonated Aziridine c2h5nh+  
671 C2H6N+ aziridine, protonated c2h6n+  
672 NH2CH2NH2 diaminomethane nh2ch2nh2  
673 CH3CH2NH2 Ethylamine etam  
674 CH3NHCH3 Dimethylamine ch3nhch3  
675 CH3PHCH3 dimethylphosphine ch3phch3  
676 NH2CH2NH3+ diaminoethane, protonated pdam  
677 (CH3)2NH2+ dimethylammonium cation dmam  
678 CH3CH2NH3+ ethylamine, protonated pea  
679 Na2O disodium monoxide na2o  
680 Na2S Sodium sulfide na2s  
681 LiO2 Lithium dioxide lio2  
682 NaO2 Sodium superoxide nao2  
683 CCO Dicarbon monoxide cco  
684 CNO- fulminate cno-  
685 SCN thiocyanato radical scn  
686 SCN- thiocyanide anion scn-  
687 BO2+ Boron dioxide cation bo2+  
688 N2O- Nitrous oxide anion n2o-  
689 PPO Phosphorus oxide phosphide ppo  
690 CO2 Carbon dioxide co2  
691 CO2- Carbon dioxide anion co2-  
692 CO2+ Carbon dioxide cation co2+  
693 OCS+ Carbonyl sulfide cation cos+  
694 SiO2 silicon dioxide sio2  
695 CS2 Carbon disulfide cs2  
696 CS2- Carbon disulfide anion cs2-  
697 CS2+ Carbon disulfide cation cs2+  
698 TiO2 Titanium dioxide tio2  
699 GeO2 Germanium dioxide geo2  
700 OCSe Carbonyl selenide ocse  
701 SCSe Carbon sulfide selenide scse  
702 GeS2 Germanium disulfide ges2  
703 CSe2 Carbon diselenide cse2  
704 SCTe Carbon sulfide Telluride scte  
705 PO2 Phosphorus dioxide po2  
706 PO2- Phosphorus dioxide anion po2-  
707 PO2+ Phosphorus dioxide cation po2+  
708 AsO2 Aresenic dioxide aso2  
709 SO2- Sulfur dioxide anion so2-  
710 SO2+ Sulfur dioxide cation so2+  
711 SSO Disulfur monoxide sso  
712 S3- Sulfur trimer anion s3-  
713 SeO2 Selenium dioxide seo2  
714 SeO2+ Selenium dioxide cation seo2+  
715 TeO2 Tellurium Dioxide teo2  
716 CS2H+ Carbon disulfide, protonated cs2h+  
717 HNCO Isocyanic acid hnco  
718 HNCS Isothiocyanic acid hncs  
719 HSCN thiocyanic acid hscn  
720 HNNO nitrosoazane hnno  
721 HNNO+ Nitrous oxide, N-protonated hnno+  
722 NNOH+ Nitrous Oxide, O-protonated nnoh+  
723 HCOO formate neutral radical hcoo  
724 O3H+ protonated ozone o3h+  
725 SO2H+ protonated sulfur dioxide so2h+  
726 C2H2O Oxirene oxirene  
727 Be(OH)2 Beryllium hydroxide beo2h2  
728 Mg(OH)2 Magnesium dihydroxide h2mgo2  
729 NH2NO Nitrosamide nh2no  
730 CH2O2 Dioxirane diox  
731 H2COO Dioxymethyl radical h2coo  
732 H2COO+ dioxymethyl cation h2coo+  
733 HCOOH Formic acid ch2o2  
734 H2O3 Hydrogen trioxide h2o3  
735 NaOCH3 Sodium methoxide naoch3  
736 CH2BOH hydroxy(methylene)borane ch2boh  
737 BH3CO Borane carbonyl bh3co  
738 CH3BO Borane, methyloxo- ch3bo  
739 CH2CHO Vinyloxy radical ch2cho  
740 CH2COH+ ketene, protonated ch2coh+  
741 CH3CO- Acetyl anion ch3co-  
742 CH3CO+ acetyl cation ch3co+  
743 CH2NOH formaldoxime ch2noh  
744 CH3NO nitrosomethane ch3no  
745 CHONH2 formamide formamide  
746 CNOH3 1,2-oxaziridine cnoh3  
747 HOCHNH hydroxymethylimine hochnh  
748 CHSNH2 thioformamide chsnh2  
749 NHCHSH Methanimidothioic acid nhchsh  
750 CH2OOH CH2OOH radical ch2ooh  
751 CH3OO- methylperoxy anion ch3oo-  
752 CH3OO+ methylperoxy cation ch3oo+  
753 C2H4O Ethylene oxide c2h4o  
754 C2H4O+ ethylene oxide cation c2h4o+  
755 CH3CHO Acetaldehyde ch3cho  
756 CH3CHO+ acetaldehyde cation ch3cho+  
757 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
758 CH2CHSH Ethenethiol ch2chsh  
759 H2CONH2+ protonated formamide h2conh2+  
760 NH2CHOH+ Formamide, O-protonated nh2choh+  
761 NH3CHO+ Formamide, N-Protonated nh3cho+  
762 CH2(OH)2 methanediol ch2o2h2  
763 HSCH2SH Methanedithiol ch4s2  
764 H2OH2CO water formaldehyde dimer h2oh2co  
765 C2H4OH+ ethylene oxide, protonated c2h4oh+  
766 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
767 CH3CH2O Ethoxy radical ethoxy  
768 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
769 CH3CHOH+ acetaldehyde, protonated ch3choh+  
770 CH3OCH2 methoxymethyl radical ch3och2  
771 NH2CH2OH aminomethanol nh2ch2oh  
772 CH3CH2OH Ethanol etoh  
773 CH3OCH3 Dimethyl ether meome  
774 CH3SCH3 Dimethyl sulfide mesme  
775 CH3SCH3+ dimethyl sulfide cation mesme+  
776 CH3SeCH3 dimethylselenide dmse  
777 CH3OHH2O methanol water dimer ch3ohh2o  
778 H2OCH3OH water methanol dimer h2och3oh  
779 CuF2 Copper difluoride cuf2  
780 ZnF2 Zinc difluoride znf2  
781 CNF iso cyanogen fluoride cnf  
782 ClCN chlorocyanogen clcn  
783 BrCN Cyanogen bromide brcn  
784 ICN Cyanogen iodide icn  
785 FBO Boron monofluoride monoxide fbo  
786 BeF2 Beryllium fluoride bef2  
787 MgF2 Magnesium fluoride mgf2  
788 BeCl2 Beryllium chloride becl2  
789 MgCl2 Magnesium dichloride mgcl2  
790 CaCl2 Calcium Chloride cacl2  
791 ZnCl2 Zinc dichloride zncl2  
792 BeBr2 Beryllium bromide bebr2  
793 CaBr2 Calcium dibromide cabr2  
794 CaF2 Calcium difluoride caf2  
795 FCO Carbonyl fluoride fco  
796 FCO+ Carbonyl fluoride cation fco+  
797 ClCO carbonyl monochloride clco  
798 BF2 Boron difluoride radical bf2  
799 ClNO Nitrosyl chloride clno  
800 OPCl Phosphorus oxychloride opcl  
801 BrNO Nitrosyl bromide brno  
802 INO Nitrosyl iodide ino  
803 CFCl chlorofluoromethylene cfcl  
804 SiF2 Silicon difluoride sif2  
805 SiF2+ Silicon difluoride cation sif2+  
806 CCl2 dichloromethylene ccl2  
807 CCl2- dichloromethylene anion ccl2-  
808 CCl2+ dichloromethylene cation ccl2+  
809 SiCl2 Dichlorosilylene sicl2  
810 GeF2 Germanium difluoride gef2  
811 CBr2 dibromomethylene cbr2  
812 FOO Dioxygen monofluoride radical foo  
813 FOO+ Fluorine dioxide cation foo+  
814 ClOO chloroperoxy radical cloo  
815 ClOO+ chloroperoxy cation cloo+  
816 OClO- Chlorine dioxide anion oclo-  
817 OClO+ Chlorine dioxide cation oclo+  
818 ClS2 Sulfur chloride cls2  
819 BrOO Bromine dioxide broo  
820 OBrO Bromine dioxide radical obro  
821 PF2 Phosphorus difluoride pf2  
822 PF2+ Phosphorus difluoride cation pf2+  
823 SF2- sulfur difluoride anion sf2-  
824 SF2+ sulfur difluoride cation sf2+  
825 Cl2O Dichlorine monoxide cl2o  
826 SeF2 Selenium difluoride sef2  
827 BrOCl Bromine hypochlorite brocl  
828 BrOBr Bromine oxide brobr  
829 F3- trifluoride anion f3-  
830 Cl3- trichloride anion cl3-  
831 Br3- tribromide anion br3-  
832 I3- triiodide i3-  
833 SFCl Sulfur chloride fluoride sfcl  
834 HCCF+ fluoroacetylene cation hccf+  
835 HCCCl Chloroacetylene hcccl  
836 HCCBr bromoacetylene hccbr  
837 HFCO+ formyl fluoride cation hfco+  
838 COHCl Formyl chloride cohcl  
839 COHBr Formyl bromide cohbr  
840 BHCl2 Borane, dichloro- bhcl2  
841 CHCl2 dichloromethyl radical chcl2  
842 CHF2 difluoromethyl radical chf2  
843 CHF2+ difluoromethyl cation chf2+  
844 CHFCl Chlorofluoromethyl radical chfcl  
845 CHFCl+ Chlorofluoromethyl cation chfcl+  
846 CHCl2+ dichloromethyl cation chcl2+  
847 CHBr2 dibromomethyl radical chbr2  
848 HOClO Chlorous acid hoclo  
849 NHF2 difluoramine nhf2  
850 NHCl2 dichloroamine nhcl2  
851 CH2FCl fluorochloromethane ch2fcl  
852 SiH2F2 difluorosilane sih2f2  
853 CH2BrF Methane, bromofluoro- ch2fbr  
854 CH2BrCl Methane, bromochloro- ch2clbr  
855 CH2FI fluoroiodomethane ch2fi  
856 CH2Br2 dibromomethane ch2br2  
857 CH2ClI chloroiodomethane ch2cli  
858 CH2BrI bromoiodomethane ch2bri  
859 CH2I2 Diiodomethane ch2i2  
860 SiH2Cl2 dichlorosilane sih2cl2  
861 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
862 CH2CHF Ethene, fluoro- ch2chf  
863 CH2CHF+ fluoroethene cation ch2chf+  
864 C2H3Cl Ethene, chloro- ch2chcl  
865 C2H3Br vinyl bromide c2h3br  
866 C2H3I Vinyl iodide c2h3i  
867 CH2FOH fluoromethanol ch2foh  
868 CH3OCl methyl hypochlorite ch3ocl  
869 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
870 CHClCH3 1-chloroethyl radical chclch3  
871 C2H5F fluoroethane c2h5f  
872 CH3CH2Cl Ethyl chloride c2h5cl  
873 CH3SiFH2 fluoromethylsilane ch3sifh2  
874 C2H5Br Ethyl bromide etbr  
875 C2H5I Ethyl iodide c2h5i  
876 KrF2 Krypton difluoride krf2  
877 XeF2 Xenon difluoride xef2  
878 B4H10 Tetraborane(10) b4h10  
879 C4H2+ diacetlyene cation c4h2+  
880 C4H4 cyclobutadiene cbd  
881 C4H4 Tetrahedrane c4h4  
882 CH2CHCHCH2 1,3-Butadiene c106990  
883 CHCCH2CH3 1-Butyne c107006  
884 CH3CHCHCH2 methylallyl radical c4h7  
885 C4H8 methylcyclopropane mcp  
886 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
887 CH2CHCH2CH3 1-Butene bute1  
888 B(CH3)3 trimethylborane bme3  
889 Al(CH3)3 trimethyl aluminum tma  
890 CH3CH(CH3)CH3 Isobutane isobutane  
891 CH3CH2CH2CH3 Butane butane  
892 SiH(CH3)3 trimethylsilane trimsi  
893 Li3N trilithium nitride li3n  
894 P4 Phosphorus tetramer p4  
895 As4 Arsenic tetramer as4  
896 H2CNCN cyanamide, methylene ch2ncn  
897 HNCCNH Ethenediimine hnccnh  
898 C3H3N acrylonitrile ch2chcn  
899 C3H3N+ acrylonitrile cation ch2chcn+  
900 CH3N3 methyl azide ch3n3  
901 NH2CCNH2 Diaminoacetylene daa  
902 NH2CH2CN Aminoacetonitrile aan  
903 CH3NHN2+ methyl azide, protonated ch3nhn2+  
904 C2H5CN ethyl cyanide c2h5cn  
905 CH5N3 Guanidine guanidine  
906 C4H6 Bicyclo[1.1.0]butane c157335  
907 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
908 H2NCHCHNH2 diaminoethylene dae  
909 CH6N3+ guanidinium ch6n3+  
910 CH7N3 triaminomethane tam  
911 C3H7N Azetidine azet  
912 C4H8 cyclobutane cbutane  
913 C2H8N2 Ethylenediamine ethdiam  
914 CH3CH(NH2)CH3 2-Propanamine pram2  
915 N(CH3)3 Trimethylamine trimeam  
916 NH2CH2CH2CH3 1-Propanamine pram1  
917 P(CH3)3 trimethylphosphine tmp  
918 N(SiH3)3 trisilylamine tsa  
919 As(CH3)3 trimethyl arsine tmas  
920 (CH3)3NH+ protonated trimethyl amine ptma  
921 C3H7NH3+ n-propylamine, protonated c3h7nh2  
922 Li2O2 dilithium dioxide li2o2  
923 Na2O2 disodium dioxide na2o2  
924 K2O2 dipotassium dioxide k2o2  
925 C3O Tricarbon monoxide c3o  
926 CO3 Carbon trioxide co3  
927 SO3- Sulfur trioxide anion so3-  
928 SO3-- Sulfate dianion so3--  
929 SO3+ Sulfur trioxide cation so3+  
930 SeO3 selenium trioxide seo3  
931 TeO3 Tellurium trioxide teo3  
932 HCO3- bicarbonate anion hco3-  
933 HSO3 Hydroxysulfonyl radical hso3  
934 NH2NO2 nitramide nh2no2  
935 C2H2CO cyclopropenone c2h2co  
936 C3H2O Propadienal c3h2o  
937 HCCCHO 2-propynal hcccho  
938 C2H2O2 Ethanedial c2h2o2  
939 C2H2O2+ Ethanedial cation c2h2o2+  
940 H2CO3 Carbonic acid h2co3  
941 H2CS3 thiocarbonic acid h2cs3  
942 H2NO3+ Nitric Acid, Protonated h2no3+  
943 H2SO3 Sulfurous acid h2so3  
944 C2H3NO Nitrosoethylene c2h3no  
945 CH3NCO methylisocyante ch3nco  
946 HOCH2CN cyanomethanol hoch2cn  
947 CH3COO- acetate anion ch3coo-  
948 CH3NO2 Methane, nitro- ch3no2  
949 NH2COOH Carbamic acid nh2cooh  
950 H3CO3+ carbonic acid, protonated h3co3+  
951 C3H4O 2-Propyn-1-ol c107197  
952 CH2CHCHO Acrolein c3h4o  
953 NH2CONH2 Urea urea  
954 NH2CONH2+ Urea cation urea+  
955 NH2CSNH2 Thiourea thiourea  
956 CH3COOH Acetic acid ch3cooh  
957 CH3OCHO methyl formate ch3ocho  
958 CHOCH2OH hydroxy acetaldehyde haa  
959 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
960 NH3COOH+ protonated Carbamic acid nh3cooh+  
961 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
962 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
963 HCOOHH2O Formic acid water dimer hcoohh2o  
964 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
965 CH3COCH2 Acetonyl radical ch3coch2  
966 CH2C(OH)NH2 1-amino vinyl alchohol ava  
967 CH3C(OH)=NH Ethaninidic acid eia  
968 CH3CHNOH Acetaldoxime acetaldoxime  
969 CH3CONH2 Acetamide acetamide  
970 HCONHCH3 N-methylformamide nmfa  
971 CH5N2O+ urea, N-protonated ch4n2o+  
972 H2NCOHNH2+ urea, protonated ureah+  
973 C2H5OO ethylperoxy radical c2h5oo  
974 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
975 C3H5OH Cyclopropanol cproh  
976 C3H6O 2-Propen-1-ol c107186  
977 C3H6O Acetone enol enol  
978 C3H6O Oxetane oxetane  
979 C3H6O Propylene oxide prox  
980 CH3CH2CHO Propanal propanal  
981 CH3COCH3 Acetone acetone  
982 CH3COCH3- acetone anion ch3coch3-  
983 C3H6S Thietane thietane  
984 C3H6S Thiirane, methyl- methiirane  
985 CH3CSCH3 Thioacetone ch3csch3  
986 C2H6O2 1,2-Ethanediol ethdiol  
987 CH3SOCH3 Dimethyl sulfoxide dmso  
988 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
989 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
990 CH3COHCH3+ acetone, protonated acetoneh+  
991 HOCH2CH2NH2 monoethanolamine mea  
992 C3H7OH 1-Propanol proh  
993 CH3CHOHCH3 Isopropyl alcohol isoproh  
994 C3H7SH 1-Propanethiol prsh  
995 CH3CHSHCH3 2-Propanethiol isoprsh  
996 CH3SCH2CH3 Ethane, (methylthio)- etsme  
997 H2OCH3OCH3 water dimethylether dimer h2och3och3  
998 Li2F2 Lithium fluoride dimer li2f2  
999 Na2F2 Sodium Fluoride Dimer na2f2  
1000 Na2Cl2 Disodium dichloride na2cl2  
1001 C2Cl2 dichloroacetylene c2cl2  
1002 C2Cl2+ dichloroacetylene cation c2cl2+  
1003 FNO2 Nitryl fluoride fno2  
1004 FONO Nitrosyl hypofluorite fono  
1005 ClNO2 Nitryl chloride clno2  
1006 ClONO chlorine nitrite clono  
1007 BrONO Bromine nitrite brono  
1008 CF2O Carbonic difluoride f2co  
1009 CF2O+ Carbonic difluoride cation f2co+  
1010 COFCl Carbonic chloride fluoride cofcl  
1011 CCl2O Phosgene cl2co  
1012 COBr2 Carbonic dibromide cobr2  
1013 BClF2 Chlorodifluoroborane bclf2  
1014 AlF2Cl Aluminum chloride difluoride alclf2  
1015 ScF3 Scandium trifluoride ScF3  
1016 AlFCl2 Aluminum dichloride fluoride alcl2f  
1017 BCl3 Borane, trichloro- bcl3  
1018 BCl3+ Boron Trichloride cation bcl3+  
1019 GaF3 Gallium trifluoride gaf3  
1020 AlCl3 Aluminum trichloride alcl3  
1021 GaCl3 Gallium trichloride gacl3  
1022 BBr3 Boron tribromide bbr3  
1023 AlBr3 Aluminum Bromide albr3  
1024 ClO3 Chlorine trioxide clo3  
1025 ClO3- chlorate anion clo3-  
1026 BrO3- Bromate anion bro3-  
1027 CF2Cl difluorochloromethyl radical cf2cl  
1028 SiF3 Silicon trifluoride radical sif3  
1029 SiF3+ Silicon trifluoride cation sif3+  
1030 CFCl2 dichlorofluoromethyl radical cfcl2  
1031 CCl3 Trichloromethyl radical ccl3  
1032 CCl3- Trichloromethyl anion ccl3-  
1033 CCl3+ Trichloromethyl cation ccl3+  
1034 SiCl3 trichlorosilyl radical sicl3  
1035 SiCl3+ trichlorosilyl cation sicl3+  
1036 CBr3 tribromomethyl radical cbr3  
1037 FOOF Perfluoroperoxide foof  
1038 ClOOCl Dichlorine dioxide cloocl  
1039 SOCl2 thionyl chloride socl2  
1040 SeOCl2 selenium oxychloride seocl2  
1041 PF3 Phosphorus trifluoride pf3  
1042 NCl3 nitrogen trichloride ncl3  
1043 AsF3 Arsenic trifluoride asf3  
1044 PCl3 Phosphorus trichloride pcl3  
1045 SbF3 Antimony Trifluoride sbf3  
1046 AsCl3 Arsenous trichloride ascl3  
1047 SbCl3 Antimony Trichloride sbcl3  
1048 NBr3 Nitrogen Tribromide nbr3  
1049 PBr3 Phosphorus tribromide pbr3  
1050 AsBr3 Arsenic tribromide asbr3  
1051 NI3 Nitrogen triiodide ni3  
1052 PI3 Phosphorus triiodide pi3  
1053 ClSSCl Disulfur dichloride s2cl2  
1054 BrF3 Bromine trifluoride brf3  
1055 IF3 iodone trifluoride if3  
1056 CHF3 Methane, trifluoro- chf3  
1057 CHF2Cl difluorochloromethane chf2cl  
1058 SiHF3 trifluorosilane sihf3  
1059 CHFCl2 fluorodichloromethane chfcl2  
1060 CDCl3 trichloromethane-d cdcl3  
1061 CHCl3 Chloroform chcl3  
1062 CHBrF2 Methane, bromodifluoro- chbrf2  
1063 SiHCl3 Trichlorosilane sihcl3  
1064 CHFClBr fluorochlorobromomethane chfclbr  
1065 CHBrCl2 Methane, bromodichloro- chbrcl2  
1066 CHF2I difluoroiodomethane chf2i  
1067 CHBr2F dibromofluoromethane chbr2f  
1068 CHFClI fluorochloroiodomethane chfcli  
1069 CHCl2I dichloroiodomethane chcl2i  
1070 CHClBr2 Methane, dibromochloro- chclbr2  
1071 CHBr3 bromoform chbr3  
1072 CHI3 Iodoform chi3  
1073 NF3H+ protonated nitrogen trifluoride nf3h+  
1074 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1075 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1076 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1077 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1078 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1079 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1080 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1081 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1082 C2H2Br2 1,1-dibromoethene c2h2br2  
1083 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1084 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1085 CH2FCHO Fluoroacetaldehyde ch2fcho  
1086 CH2ClCHO chloroacetaldehyde ch2clcho  
1087 CH3COCl Acetyl Chloride ch3cocl  
1088 C2H4F2 1,2-difluoroethane c2h4f2  
1089 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1090 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1091 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1092 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1093 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1094 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1095 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1096 CH2CFCH3 2-fluoropropene 2fpro  
1097 CH2CHCH2F Allyl Fluoride allylf  
1098 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1099 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1100 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1101 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1102 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1103 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1104 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1105 CH2FCH2CH3 1-Fluoropropane prf1  
1106 CH3CHFCH3 2-Fluoropropane prf2  
1107 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1108 CH3CHClCH3 Propane, 2-chloro- prcl2  
1109 CH3CH2CH2Br n-propyl bromide prbr  
1110 CH3CHBrCH3 i-propyl bromide iprbr  
1111 C3H9O+ trimethyl oxonium cation c3h9o+  
1112 B5H9 pentaborane9 b5h9  
1113 C5H4 pentatetraene ptrene  
1114 C5H5 cyclopentadienyl radical c5h5  
1115 C5H5- cylopentadienyl anion c5h5-  
1116 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1117 C5H6 Propellane propellane  
1118 C5H7 1,3-pentadienyl radical pdyl  
1119 C5H7 cyclopentenyl radical cpyl  
1120 C5H8 1,3-Butadiene, 2-methyl- c78795  
1121 C5H8 1-pentyne a1pentyne  
1122 C5H8 Bicyclo[1.1.1]pentane bcp  
1123 C5H8 Cyclopentene c142290  
1124 C5H8 Ethenylcyclopropane c693867  
1125 CH3CCCH2CH3 2-Pentyne 2pentyne  
1126 C5H10 Cyclopentane c287923  
1127 CH2CHCH2CH2CH3 1-pentene pentene  
1128 C5H12 Butane, 2-methyl- buta2  
1129 C5H12 Pentane pentane  
1130 Si(CH3)4 tetramethylsilane tms  
1131 C3H2N2 Malononitrile c3h2n2  
1132 CH2N4 1H-Tetrazole 1htz  
1133 C3H3N2 imidazolyl radical im  
1134 C3H3N2- imidizolyl anion im-  
1135 C2H3N3 1H-1,2,4-Triazole c288880  
1136 C4H4N pyrrolide radical c4h4n  
1137 C4H4N- pyrrolide anion c4h4n-  
1138 C3H4N2 1H-Imidazole 1himidaz  
1139 C3H4N2 1H-Pyrazole 1hpyraz  
1140 C3H4N2 2H-Imidazole imid2h  
1141 C3H4N2 4H-Imidazole imid4h  
1142 C4H5N 2H-pyrrole pyrrole2  
1143 C4H5N 3H-pyrrole pyrrole3  
1144 C4H5N Pyrrole pyrrole  
1145 CH2CHCH2CN Allylcyanide ch2chch2cn  
1146 C4H6N+ pyrrole, alpha-protonated appyr  
1147 C4H6N+ pyrrole, beta-protonated bppyr  
1148 C4H6N+ pyrrole, protonated ppyr  
1149 C3H6N2 3-Aminopropionitrile c151188  
1150 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1151 CH3CH2CH2CN Butanenitrile c109740  
1152 C5H8 Bicyclo[2.1.0]pentane c185944  
1153 C5H8 Spiropentane c157404  
1154 C4H9N Pyrrolidine pyrrolidine  
1155 C3H10N2 1,2-Diaminopropane diampr12  
1156 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1157 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1158 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1159 NH(C2H5)2 diethylamine dea  
1160 NC4H12+ tetramethyl ammonium cation nc4h12+  
1161 B2O3 diboron trioxide b2o3  
1162 MgCO3 Magnesium Carbonate mgco3  
1163 BeCO3 Beryllium Carbonate beco3  
1164 CaCO3 Calcium Carbonate caco3  
1165 ONONO Nitrosyl nitrite onono  
1166 PO4--- phosphate po4---  
1167 SO4-- sulfate so4--  
1168 HOONO2 peroxy nitric acid hoono2  
1169 HSO4- bisulfate anion hso4-  
1170 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1171 C3H2O2 Propiolic acid c3h2o2  
1172 CHOCOOH oxo acetic acid oaa  
1173 CHOOCHO diformyl ether choocho  
1174 H2SeO4 Selenic acid h2seo4  
1175 C3H3NO Isoxazole isox  
1176 C3H3NO Oxazole oxazole  
1177 C3H3NS Thiazole thiazole  
1178 CH3C(O)OO acetyl peroxy radical ch3coo2  
1179 H3PO4 Phosphoric Acid h3po4  
1180 C4H4O Furan furan  
1181 C4H4O+ Furan cation furan+  
1182 CH3COCCH 3-butyn-2-one c1423605  
1183 C4H4S Thiophene furans  
1184 C4H4Se selenophene c4h4se  
1185 C3H4O2 β–Propiolactone beta  
1186 C3H4O2 2-Propenoic acid propenoic2  
1187 C3H4O2 Methyl glyoxal megly  
1188 HOCHCCHOH allenediol aldiol  
1189 C2H4O3 1,2,3-trioxolane c2h4o3  
1190 C2H4O3 trioxolane124 triox  
1191 HOCH2COOH Hydroxyacetic acid hac  
1192 CH2CHCONH2 Acrylamide c79061  
1193 CH5N3S Hydrazinecarbothioamide c79196  
1194 H2NCH2COOH Glycine glycine  
1195 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1196 CH2CHOCHCH2 Vinyl ether vinylether  
1197 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1198 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1199 CH2CHSCHCH2 Divinyl sulfide divis  
1200 CH3CH2COOH Propanoic Acid propanoic  
1201 CH3COOCH3 methyl acetate aame  
1202 HCOOC2H5 Ethyl formate faee  
1203 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1204 C3H7NO dimethylformamide dmf  
1205 C3H7NO Propanamide propanam  
1206 C2H3OC2H5 Ethene, ethoxy- c109922  
1207 C4H8O Furan, tetrahydro- thf  
1208 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1209 CH3COCH2CH3 2-Butanone buta2one  
1210 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1211 CHOCH2CH2CH3 Butanal butanal  
1212 C4H8S Thiophene, tetrahydro- tht  
1213 C3H8O2 Methane, dimethoxy- c109875  
1214 C3H8O2 Propylene glycol c57556  
1215 C3H8S2 1,3-Propanedithiol c109808  
1216 C4H10O 1-Butanol butanol1  
1217 C4H10O 1-Propanol, 2-methyl- c78831  
1218 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1219 C4H10O Ethoxy ethane etoet  
1220 C4H10O Methyl propyl ether meopr  
1221 C4H10O+ 1-Butanol cation butanol1+  
1222 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1223 C2H5SC2H5 Diethyl sulfide etset  
1224 C4H9SH 1-Butanethiol bush  
1225 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1226 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1227 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1228 ClONO2 Chlorine nitrate clono2  
1229 BrONO2 Bromine nitrate brono2  
1230 TiCl4 Titanium tetrachloride ticl4  
1231 ClO4- perchlorate anion clo4-  
1232 ClFO3 Perchloryl fluoride clfo3  
1233 SO2F2 Sulfuryl fluoride so2f2  
1234 SO2Cl2 Sulfuryl chloride so2cl2  
1235 F3PO Phosphoryl fluoride pf3o  
1236 Cl3PO Phosphoryl chloride pcl3o  
1237 CF4 Carbon tetrafluoride cf4  
1238 CF3Cl Methane, chlorotrifluoro- cf3cl  
1239 SiF4 Silicon tetrafluoride sif4  
1240 TiF4 Titanium tetrafluoride tif4  
1241 CFCl3 Trichloromonofluoromethane cfcl3  
1242 CF3Br Bromotrifluoromethane cf3br  
1243 GeF4 Germanium tetrafluoride gef4  
1244 CCl4 Carbon tetrachloride ccl4  
1245 CCl4+ Carbon tetrachloride cation ccl4+  
1246 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1247 SiCl4 Silane, tetrachloro- sicl4  
1248 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1249 CF3I trifluoroiodomethane cf3i  
1250 CBrCl3 Methane, bromotrichloro- cbrcl3  
1251 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1252 GeCl4 Germanium Tetrachloride gecl4  
1253 CBr2ClF dibromochlorofluoromethane cbr2clf  
1254 CBr2Cl2 dibromodichloromethane cbr2cl2  
1255 CCl3I trichloroiodomethane ccl3i  
1256 CFBr3 fluorotribromomethane cfbr3  
1257 CFClBrI fluorochlorobromoiodomethane cfclbri  
1258 CBr3Cl tribromochloromethane cbr3cl  
1259 CF2I2 difluorodiiodomethane cf2i2  
1260 CBr4 Carbon tetrabromide cbr4  
1261 CCl2I2 dichlorodiiodomethane ccl2i2  
1262 SiBr4 Silicon tetrabromide sibr4  
1263 CBr3I tribromoiododmethane cbr3i  
1264 GeBr4 Germanium tetrabromide gebr4  
1265 CI4 tetraiodomethane ci4  
1266 SiI4 silicon tetraiodide sii4  
1267 ClOF3 Chlorine trifluoride oxide clof3  
1268 SeF4 Selenium tetrafluoride sef4  
1269 SCl4 Sulfur tetrachloride scl4  
1270 C2HF3 Trifluoroethylene c2hf3  
1271 C2HF3+ Trifluoroethylene cation c2hf3+  
1272 CHClCCl2 Trichloroethylene chclccl2  
1273 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1274 HSO3F Fluorosulfonic acid hso3f  
1275 CF3OH trifluoromethanol cf3oh  
1276 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1277 CHClCCHCl 1,3-dichloroallene chclcchcl  
1278 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1279 CHCl2CHO dichloroacetaldehyde chcl2cho  
1280 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1281 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1282 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1283 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1284 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1285 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1286 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1287 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1288 NH3BCl3 Amminetrichloroboron nh3bcl3  
1289 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1290 C3H5ClO Oxirane, (chloromethyl)- c106898  
1291 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1292 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1293 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1294 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1295 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1296 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1297 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1298 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1299 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1300 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1301 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1302 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1303 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1304 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1305 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1306 C4H9F 1-fluorobutane butaf1  
1307 CH3CHFCH2CH3 2-fluorobutane butaf2  
1308 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1309 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1310 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1311 XeF4 Xenon tetrafluoride xef4  
1312 C2H2N2O Furazan furazan  
1313 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1314 NH3BF3 Amminetrifluoroboron nh3bf3  
1315 C6H2 hexatriyne c6h2  
1316 C6H5- phenyl anion phenyl-  
1317 C6H6 Prismane prismane  
1318 C6H6 1,2,4,5-Hexatetraene ht1245  
1319 C6H6 3,4-Dimethylenecyclobutene cb34m  
1320 C6H6 Benzene benzene  
1321 C6H6 Benzvalene bv  
1322 C6H6 Dewar Benzene dewar  
1323 C6H6 Hexa-1,5-diene-3-yne hdy153  
1324 C6H6 Trimethylenecycopropane tmcp  
1325 C6H6+ Benzene cation c6h6+  
1326 C6H7+ benzene, protonated c6h7+  
1327 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1328 C6H10 1,5-Hexadiene c592427  
1329 C6H10 cyclohexene cyclohexene  
1330 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1331 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1332 C6H12 (E)-2-Hexene e2hexene  
1333 C6H12 (E)-hex-3-ene e3hexene  
1334 C6H12 (Z)-hex-2-ene z2hexene  
1335 C6H12 (Z)-hex-3-ene z3hexene  
1336 C6H12 2,3-dimethylbut-1-ene c563780  
1337 C6H12 2,3-dimethyl-but-2-ene tmeet  
1338 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1339 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1340 C6H12 Cyclohexane cyclohexane  
1341 C6H12 Cyclopentane, methyl- c96377  
1342 C6H14 Butane, 2,2-dimethyl- buta22  
1343 C6H14 Butane, 2,3-dimethyl- buta23  
1344 C6H14 Hexane hexane  
1345 C6H14 Pentane, 2-methyl- penta2  
1346 C6H14 Pentane, 3-methyl- penta3  
1347 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1348 C4H2N2 Fumaronitrile c4h2n2  
1349 C2H2N4 sym-tetrazine ttz  
1350 C3H3N3 1,3,5-Triazine triazine135  
1351 C4H4N2 1,3-Diazine diazine13  
1352 C4H4N2 Pyrazine pyrazine  
1353 C4H4N2 Pyridazine pyridazine  
1354 C4H4N2 Succinonitrile c110612  
1355 C5H5N E-2,4-pentadienenitrile bdcn  
1356 C5H5N Pyridine pyridine  
1357 C5H6N+ Pyridinium c5h6n  
1358 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1359 C5H9N Pentanenitrile c110598  
1360 C6H10 Bicyclo[3.1.0]hexane c285585  
1361 C5H11N Piperidine piper  
1362 Li2CO3 Lithium Carbonate li2co3  
1363 Na2CO3 Sodium Carbonate na2co3  
1364 MgSO4 Magnesium Sulfate mgso4  
1365 C3H2O3 vinylene carbonate vica  
1366 C2H2O4 Oxalic Acid oxalic  
1367 C4H4O2 2(5H)-Furanone furanone  
1368 C2H4N2S2 Ethanedithioamide c79403  
1369 C2H4CO3 Ethylene carbonate etco3  
1370 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1371 C3H4S3 1,3-Dithiolane-2-thione c822388  
1372 C2H4O4 Formic acid dimer fadimer  
1373 C4H5NS 4-Methylthiazole c693958  
1374 C2H5NO3 Nitric acid, ethyl ester c625581  
1375 C5H6O 2H-Pyran pyran2  
1376 C5H6O 2-methylfuran furan2m  
1377 C5H6O 3-Methylfuran furan3m  
1378 C5H6O Pentadienal pdal  
1379 C5H6S Thiophene, 2-methyl- c554143  
1380 C5H6S Thiophene, 3-methyl- c616444  
1381 C4H6O2 γ–Butyrolactone c96480  
1382 C4H6O2 2-Propenoic acid, methyl ester c96333  
1383 C4H6O2 Crotonic Acid crot  
1384 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1385 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1386 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1387 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1388 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1389 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1390 C4H6OS Vinyl sulfoxide c1115157  
1391 CH6N4S Carbonothioic dihydrazide thiacarb  
1392 C3H6O3 1,3,5-Trioxane trioxane  
1393 C3H6S3 1,3,5-Trithiane c3h6s3  
1394 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1395 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1396 C4H7NO Ethoxyacetonitrile etoaccn  
1397 C4H7NO Methacrylamide c79390  
1398 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1399 C3H7ONO Propyl nitrite prono  
1400 CH3CH(NH2)COOH Alanine alanine  
1401 CH3NHCH2COOH Sarcosine sarcosine  
1402 NH2CH2CH2COOH β–alanine betaalanine  
1403 NH2COOC2H5 Urethane urethane  
1404 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1405 C5H8O Cyclopentanone c120923  
1406 C5H8O Methyl cyclopropyl ketone c765435  
1407 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1408 C4H8O2 1,4-Dioxane dioxan14  
1409 C4H8O2 Ethyl acetate c141786  
1410 C4H8OS s-Ethyl thioacetate c625605  
1411 C3H8O3 1,2,3-Propanetriol glycerin  
1412 C3H8O2S (Methylsulfonyl)ethane c594434  
1413 C5H10O 2H-Pyran, tetrahydro- c142687  
1414 C5H10O 2-methylbutyraldehyde 2meba  
1415 C5H10O 2-Pentanone mpk  
1416 C5H10O 3-Pentanone dek  
1417 C5H10O Cyclopentanol c96413  
1418 C5H10O Pentanal pal  
1419 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1420 C5H10S 3-Ethylthio-1-propene c5296628  
1421 C5H10S Cyclopentanethiol c1679078  
1422 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1423 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1424 C4H10O2 1,3-Butanediol budiol13  
1425 C4H10O2 1,4-Butanediol budiol14  
1426 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1427 C4H10OS Diethyl sulfoxide c70291  
1428 C4H10S2 1,4-Butanedithiol budisl14  
1429 C5H12O 1-Butanol, 2-methyl- c137326  
1430 C5H12O 1-Butanol, 3-methyl- c123513  
1431 C5H12O 1-Pentanol pentanol1  
1432 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1433 C5H12S 1-Butanethiol, 3-methyl- c541311  
1434 C5H12S 1-Pentanethiol c110667  
1435 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1436 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1437 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1438 C5H12S Butane, 1-(methylthio)- c628295  
1439 C5H12S Ethyl propyl sulfide c4110503  
1440 C5H12S Propane, 2-(ethylthio)- c5145993  
1441 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1442 C4F2 difluorobutadiyne c4f2  
1443 ClCOClCO Oxalyl chloride oxcl  
1444 CF3CN Acetonitrile, trifluoro- cf3cn  
1445 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1446 B2Cl4 Diboron tetrachloride b2cl4  
1447 C2F4 Tetrafluoroethylene c2f4  
1448 C2F4+ Tetrafluoroethylene cation c2f4+  
1449 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1450 CF2CCl2 difluorodichloroethylene cf2ccl2  
1451 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1452 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1453 C2FCl3 fluorotrichloroethene c2fcl3  
1454 C2Cl4 Tetrachloroethylene c2cl4  
1455 C2Br4 tetrabromoethene c2br4  
1456 CF3OF Trifluoromethylhypofluorite cf3of  
1457 PF5 Phosphorus pentafluoride pf5  
1458 AsF5 Arsenic pentafluoride asf5  
1459 PCl5 Phosphorus pentachloride pcl5  
1460 SF5 Sulfur pentafluoride sf5  
1461 SF5+ pentafluoro sulfur cation sf5+  
1462 SbCl5 Antimony pentachloride sbcl5  
1463 BrF5 bromine pentafluoride brf5  
1464 ClF5 chlorinepentafluoride clf5  
1465 IF5 pentafluoroiodine if5  
1466 CF3CHO trifluoroacetaldehyde cf3cho  
1467 CCl3CHO trichloroacetaldehyde ccl3cho  
1468 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1469 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1470 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1471 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1472 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1473 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1474 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1475 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1476 CF3COOH trifluoroacetic acid cf3cooh  
1477 C4H3ClO Furan, 2-chloro fur2cl  
1478 C4H3ClO Furan,3-chloro fur3cl  
1479 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1480 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1481 C4H8Cl2 1,4-Dichlorobutane c110565  
1482 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1483 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1484 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1485 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1486 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1487 C5H11Cl Pentane, 1-chloro- pencl1  
1488 C4H8O2 Butanoic acid bua  
1489 C7H7 cycloheptatrienyl radical c7h7  
1490 C7H7+ cycloheptatrienyl cation c7h7+  
1491 C6H5CH3 toluene toluene  
1492 C7H8 cycloheptatriene cht  
1493 C7H8 Norbornadiene norbor  
1494 C7H8 Quadricyclane qucy  
1495 C7H12 Norbornane nor  
1496 C7H14 cycloheptane c7h14  
1497 C7H16 heptane heptane  
1498 CH(CN)3 tricyanomethane mecn3  
1499 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1500 C6H7N 2-Methylpyridine mp  
1501 C6H5NH2 aniline aniline  
1502 C6H13N 2-Methylpiperidine pip2m  
1503 C6H13N cyclohexanamine cham  
1504 C6H15N triethylamine tea  
1505 N2O5 Dinitrogen pentoxide n2o5  
1506 C4H2O3 Maleic Anhydride malan  
1507 C6H5O phenoxy radical phenoxy  
1508 C5H5NO 2-Pyridinol c109104  
1509 C5H5NO 3-Pyridinol c109002  
1510 C6H5OH phenol phenol  
1511 C6H6O 2,5-Cyclohexadienone c5664335  
1512 C6H5SH Benzenethiol phsh  
1513 HO2CCHNH2CH2OH Serine serine  
1514 C5H8O2 Acetylacetone acac  
1515 C4H8O2S Sulfolane sulfolane  
1516 C7H10 Norbornene norbornene  
1517 CH(C2H3)3 trivinyl methane tvm  
1518 C6H10O cyclohexanone chexo  
1519 C6H12O hexanal c6h12o  
1520 C6H12O Oxepane oxepane  
1521 C3H7OC3H7 di-n-propyl ether propr  
1522 F2CCCF2 tetrafluoroallene pfa  
1523 CF3COO- trifluoro acetate anion cf3coo-  
1524 CF3COF trifluoroacetyl fluoride cf3cof  
1525 CF3COCl trifluoroacetyl chloride cf3cocl  
1526 PF6 Hexafluorophosphate neutral pf6  
1527 SF6 Sulfur Hexafluoride sf6  
1528 SeF6 Selenium hexafluoride sef6  
1529 CF3CHF2 pentafluoroethane cf3chf2  
1530 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1531 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1532 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1533 CCl3CHCl2 pentachloroethane ccl3chcl2  
1534 C6H5Cl chlorobenzene bzcl  
1535 C6H5Br bromobenzene bzbr  
1536 C8H6 Calicene calicene  
1537 C8H6 benzocyclobutadiene bcbd  
1538 C8H6 Pentalene pentalene  
1539 C6H5CHCH2 Styrene styrene  
1540 C8H8 cubane cubane  
1541 C6H5CH2CH3 Ethylbenzene etbz  
1542 CH3C6H4CH3 meta-xylene mxylene  
1543 CH3C6H4CH3 paraxylene pxylene  
1544 C8H14 Bicyclo[2.2.2]octane bico222  
1545 C8H16 cyclooctane cyclooct  
1546 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1547 C8H18 Octane c8h18  
1548 C6H5CN phenyl cyanide phcn  
1549 C6H12N2 Triethylenediamine ted  
1550 C4O4-- squarate dianion c4o4--  
1551 S4N4 Tetrasulfur tetranitride s4n4  
1552 S8 Octasulfur s8  
1553 C6H4O2 parabenzoquinone pbq  
1554 C4H4N2O2 Uracil uracil  
1555 C6H5CHO benzaldehyde benzal  
1556 C6H5OCH3 Anisole anisole  
1557 C5H9NO2 Proline proline  
1558 C6H12O2 Methyl pivalate c598981  
1559 C6H12O2 Hexanoic acid hexa  
1560 C4F4 tetrafluorcyclobutadiene c4f4  
1561 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1562 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1563 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1564 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1565 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1566 C2F6 hexafluoroethane c2f6  
1567 C2Cl6 hexachloroethane c2cl6  
1568 IF7 Iodine heptafluoride if7  
1569 C6H4F2 metadifluorobenzene mdfb  
1570 C6H4F2 orthodifluorobenzene odfb  
1571 C6H4Cl2 1,2-dichlorobenzene dcb12  
1572 C6H4Cl2 1,3-dichlorobenzene dcb13  
1573 C6H4Cl2 1,4-dichlorobenzene dcb14  
1574 C6H5NO nitrosobenzene bzno  
1575 C9H8 Indene indene  
1576 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1577 C9H12 n-propyl benzene prbz  
1578 C9H20 Nonane nonane  
1579 C(CN)4 tetracyanomethane c5n4  
1580 C5H4N4 purine purine  
1581 C8H7N Indole indole  
1582 C3H3N3O3 cyanuric acid cyanuric  
1583 C6H5NO2 Nitrobenzene c6h5no2  
1584 C6H5COOH benzoic acid benzo  
1585 CH3COC6H5 acetophenone acph  
1586 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1587 C3F6 hexafluoropropene c3f6  
1588 C6H3F3 Benzene trifluoride 123 bzf3a  
1589 C8H18O 1-Octanol octanol  
1590 C10H8 Azulene azu  
1591 C10H8 naphthalene naph  
1592 C10H10 bullvalene bullv  
1593 C10H16 adamantane adamantane  
1594 C6N4 Tetracyanoethylene tcne  
1595 C6N4- tetracyanoethylene anion tcne-  
1596 C10H22 Decane decane  
1597 C4F6 perfluorobutadiene c4f6  
1598 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1599 C3F8 perfluoropropane c3f8  
1600 Fe(CO)5 Iron pentacarbonyl ipc  
1601 Fe(C5H5)2 ferrocene fecp2  
1602 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1603 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1604 C12H8 Acenaphthylene acenaph  
1605 C12H8 biphenylene biph  
1606 C12H10 biphenyl biphenyl  
1607 C12H10 Heptalene heptalene  
1608 C6H12O6 Inositol inositol  
1609 C6F6 hexafluorobenzene c6f6  
1610 S2F10 disulphur decafluoride s2f10  
1611 C13H10 Fluorene fluorene  
1612 C14H10 Anthracene anth  
1613 C14H10 Phenanthrene phenanthrene  
1614 C14H14 Bibenzyl bibenzyl  
1615 C12H10N2 azobenzene azobenzene  
1616 C6H5COC6H5 benzophenone benzophenone  
1617 C16H10 Pyrene pyrene  
1618 C18H12 Tetracene tetracene  
1619 C19H16 Triphenylmethane tpm  
1620 C24H12 Coronene coronene  
1621 C60 Buckminsterfullerene c60