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List of which calculations are completed at B1B95 /cc-pV(T+d)Z

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 D2 Deuterium diatomic 1ΣgD∞h
4 H2 Hydrogen diatomic 1ΣgD∞h
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 HD Deuterium hydride 1ΣgD∞h
7 He Helium atom 1SKh
8 He2+ helium diatomic cation 2ΣuD∞h
9 Li Lithium atom 2SKh
10 Na Sodium atom 2SKh
11 LiH Lithium Hydride 1ΣC∞v
12 LiH- lithium hydride anion 2ΣC∞v
13 LiH+ lithium hydride cation 2ΣC∞v
14 NaH sodium hydride 1ΣC∞v
15 Be Beryllium atom 1SKh
16 Mg Magnesium atom 1SKh
17 BeH beryllium monohydride 2ΣC∞v
18 BeH- berylium monohydride anion 1ΣC∞v
19 BeH+ beryllium monohydride cation 1ΣC∞v
20 MgH magnesium monohydride 2ΣC∞v
21 MgH- magnesium monohydride anion 1ΣC∞v
22 MgH+ magnesium monohydride cation 1ΣC∞v
23 BeH2 beryllium dihydride 1ΣgD∞h
24 MgH2 magnesium dihydride 1ΣgD∞h
25 B Boron atom 2PKh
26 BH Boron monohydride 1ΣC∞v
27 BH- boron monohydride anion 2ΠC∞v
28 BH+ boron monohydride cation 2ΣC∞v
29 AlH aluminum monohydride 1ΣC∞v
30 BH2 boron dihydride 2A1C2v
31 BH3 boron trihydride 1A1'D3h
32 C Carbon atom 3P0Kh
33 Si Silicon atom 3PKh
34 CH Methylidyne 2Π1/2C∞v
35 CH- methylidyne anion 3ΣC∞v
36 CH+ Methylidyne cation 1ΣC∞v
37 CH2 Methylene 3B1C2v
38 CH2 Methylene 1A1C2v
39 CH2- methylene anion 2B1C2v
40 CH2+ methylene cation 2A1C2v
41 SiH2 silicon dihydride 1A1C2v
42 SiH2 silicon dihydride 3B1C2v
43 CH3 Methyl radical 2A1D3h
44 CH3- methyl anion 1A1C3v
45 CH3+ methyl cation 1A1'D3h
46 SiH3 Silyl radical 2A1C3v
47 CH4 Methane 1A1Td
48 SiH4 Silane 1A1Td
49 P Phosphorus atom 4SKh
50 NH Imidogen 3Σ-C∞v
51 NH Imidogen 1Σ+C∞v
52 NH- Imidogen anion 2ΠC∞v
53 NH+ imidogen cation 2ΠC∞v
54 PH phosphorus monohydride 1Σ+C∞v
55 ND2 Amidogen-d2 2B1C2v
56 NH2 Amino radical 2B1C2v
57 NH2- amino anion 1A1C2v
58 ND3 Ammonia-d3 1A1C3v
59 NH3 Ammonia 1A1C3v
60 PH3 Phosphine 1A1C3v
61 PH4+ phosphonium cation   
62 O Oxygen atom 3SKh
63 S Sulfur atom 3PKh
64 DO Hydroxyl-d 2ΠC∞v
65 OH Hydroxyl radical 2ΠC∞v
66 OH+ hydoxyl cation 3ΣC∞v
67 OH+ hydoxyl cation 1ΣC∞v
68 HS Mercapto radical 2ΠC∞v
69 D2O Deuterium oxide 1A1C2v
70 H2O Water 1A1C2v
71 H2O- water anion 2A1C2v
72 H2O+ water cation 2B1C2v
73 HDO Water-d1 1A1C2v
74 D2S Hydrogen sulfide-d2 1A1C2v
75 H2S Hydrogen sulfide 1A1C2v
76 H2S+ Hydrogen sulfide cation 2B1C2v
77 H3O+ hydronium cation 1A1C3v
78 H3S+ Sulfonium cation 1A1C3v
79 F Fluorine atom 2PKh
80 Cl Chlorine atom 2PKh
81 DF Hydrofluoric acid-d 1ΣC∞v
82 HF Hydrogen fluoride 1ΣC∞v
83 HF- hydrogen fluoride anion 2ΣC∞v
84 HF+ hydrogen fluoride cation 2ΠC∞v
85 HCl Hydrogen chloride 1ΣC∞v
86 HCl+ hydrogen chloride cation 2ΠC∞v
87 H2Cl+ dihydrogen monochloride cation 1A1C2v
88 NeH+ neon hydrogen cation 1ΣC∞v
89 Li2 Lithium diatomic 1ΣgD∞v
90 Li2- lithium diatomic anion 2ΣuD∞h
91 NaLi lithium sodium 1ΣC∞v
92 NaLi- lithium sodium anion 2ΣC∞v
93 Na2 Sodium diatomic 1ΣgD∞h
94 Na2- sodium diatomic anion 2ΣuD∞h
95 Na2+ sodium diatomic cation 2ΣgD∞h
96 Be2- Beryllium diatomic anion 2ΠuD∞h
97 Be2+ Beryllium diatomic cation 2ΣuD∞h
98 Mg2 Magnesium diatomic 1ΣgD∞h
99 Mg2- magnesium diatomic anion 2ΠUD∞h
100 Mg2+ magnesium diatomic cation 2ΣuD∞h
101 B2 Boron diatomic 3ΣgD∞h
102 B2 Boron diatomic 1ΣgD∞h
103 B2 Boron diatomic 5ΣuD∞h
104 B2- Boron diatomic anion 4ΣgD∞h
105 BAl Boron Aluminum 3ΣC∞v
106 B2H6 Diborane 1AgD2h
107 BC- boron monocarbide anion 3ΠuC∞v
108 BC- boron monocarbide anion 1Σg+C∞v
109 BC+ boron monocarbide cation 3ΣC∞v
110 BC+ boron monocarbide cation 1ΣC∞v
111 AlC Aluminum carbide 4ΣC∞v
112 C2 Carbon diatomic 1Σg+D∞h
113 C2 Carbon diatomic 3ΠuD∞h
114 C2- carbon diatomic anion 2ΣgD∞h
115 C2+ carbon diatomic cation 2ΠD∞h
116 SiC silicon monocarbide 3ΣC∞v
117 SiC silicon monocarbide 1ΣC∞v
118 C2H Ethynyl radical 2ΣC∞v
119 C2H2 Acetylene 1ΣgD∞h
120 C2H2+ acetylene cation 2ΠuD∞h
121 CCH2 vinylidene 1A1C2v
122 C2H3 vinyl 2A'Cs
123 C2H4 Ethylene 1AgD2h
124 C2H5 Ethyl radical 2A'Cs
125 C2H6 Ethane 1A1gD3d
126 Si2H6 disilane 1EuD3d
127 BeN- Beryllium mononitride anion 1ΣC∞v
128 BN- boron nitride anion 2ΣC∞v
129 BN boron nitride 3ΠC∞v
130 BN boron nitride 1ΣC∞v
131 BN+ boron nitride cation 2ΠC∞v
132 AlN Aluminum nitride 3ΠiC∞v
133 CN Cyano radical 2ΣC∞v
134 CN- cyanide anion 1ΣC∞v
135 CN+ Cyano cation 1ΣC∞v
136 SiP Silicon monophosphide 2ΠC∞v
137 N2 Nitrogen diatomic 1ΣgD∞h
138 N2- nitrogen diatomic anion 2ΠgD∞h
139 P2 Phosphorus diatomic 1ΣgD∞h
140 HNC hydrogen isocyanide 1ΣC∞v
141 HCN Hydrogen cyanide 1ΣC∞v
142 HCN+ hydrogen cyanide cation 2ΠC∞v
143 NNH Dinitrogen monohydride 2A'Cs
144 N2H2 (E)-diazene 1AgC2h
145 CH2NH Methanimine 1A'Cs
146 CH2PH Phosphaethene 1A'Cs
147 CH2NH2+ methyleneamine cation 1A1C2v
148 N2H4 Hydrazine 1AC2
149 CH3NH2 methyl amine 1A'Cs
150 BH3PH3 borane phosphine   
151 NH3NH3 Ammonia Dimer 1AgC2h
152 LiO- lithium oxide anion 1ΣC∞v
153 LiO+ lithium oxide cation 3ΣC∞v
154 LiO+ lithium oxide cation 1ΣC∞v
155 LiS Lithium monosulfide 2ΠC∞v
156 NaO sodium monoxide 2ΣC∞v
157 NaO- sodium oxide anion 1ΣC∞v
158 BeO beryllium oxide 1ΣC∞v
159 BeO- Beryllium monoxide anion 2ΣC∞v
160 BeO+ Beryllium monoxide cation 2ΠC∞v
161 MgO magnesium oxide 1Σ+C∞v
162 MgO- magnesium oxide anion 2ΣC∞v
163 MgO+ magnesium oxide cation 2ΠC∞v
164 CaS Calcium sulfide 1ΣC∞v
165 BO boron monoxide 2ΣC∞v
166 BO- boron monoxide anion 1ΣC∞v
167 BO+ boron monoxide cation 1ΣC∞v
168 CO Carbon monoxide 1ΣC∞v
169 CO- carbon monoxide anion 2ΠC∞v
170 CO+ carbon monoxide cation 2ΣC∞v
171 GeO Germanium monoxide 1ΣC∞v
172 SiSe Silicon Monoselenide   
173 NO Nitric oxide 2ΠC∞v
174 NO- nitric oxide anion 3ΣC∞v
175 NO- nitric oxide anion 1ΔC∞v
176 NS Mononitrogen monosulfide 2ΠC∞v
177 PO Phosphorus monoxide 2ΠC∞v
178 PS phosphorus sulfide 2ΣC∞v
179 O2 Oxygen diatomic 3ΣgD∞h
180 O2- oxygen diatomic anion 2ΠD∞h
181 SO Sulfur monoxide 3ΣC∞v
182 SO Sulfur monoxide 1ΣC∞v
183 S2 Sulfur diatomic 3ΣgD∞h
184 S2+ sulfur diatomic cation 2ΠD∞h
185 Se2 Selenium diatomic 3ΣgD∞h
186 LiOH lithium hydroxide 1ΣC∞v
187 BeOH beryllium monohydroxide 2A'Cs
188 MgOH magnesium hydroxide 2A'Cs
189 HBO Boron hydride oxide 1ΣC∞v
190 HCO Formyl radical 2A'Cs
191 HNO Nitrosyl hydride 1A'Cs
192 HO2 Hydroperoxy radical 2A"Cs
193 HSO+ Sulfur Monoxide, S-protonated   
194 SOH Sulfur Hydroxide   
195 SOH+ Sulfur Monoxide, protonated   
196 H2CO Formaldehyde 1A1C2v
197 H2CO+ formaldehyde cation 2B2C2v
198 H2CS Thioformaldehyde 1A1C2v
199 H2CSe Selenoformaldehyde   
200 H2O2 Hydrogen peroxide 1AC2
201 H2S2 Disulfane 1AC2
202 H2S2+ hydrogen disulfide cation 2BgC2h
203 CH2OH Hydroxymethyl radical 2AC1
204 CH2OH+ hydroxymethyl cation 1A'Cs
205 CH3O Methoxy radical 2A'C1
206 H2CSH+ Thioformaldehyde, protonated 1A'Cs
207 NH2OH hydroxylamine 1A'Cs
208 H2POH Phosphinous acid 1A1'CS trans
209 H2POH Phosphinous acid 1A1'CS cis
210 H3PO Phosphine oxide 1A1C3v
211 CH3OH Methyl alcohol 1A'Cs
212 CH3SH Methanethiol 1A'Cs
213 H2OH2O water dimer 1A'Cs
214 CH3SH2+ protonated methylsulfide 1A'Cs
215 H2ONH3 Water Ammonia Dimer 1A'C1
216 LiF lithium fluoride 1ΣC∞v
217 LiCl lithium chloride 1ΣC∞v
218 NaF sodium fluoride 1ΣC∞v
219 NaF- sodium fluoride anion 2ΣC∞v
220 NaF+ sodium fluoride cation 2ΣC∞v
221 LiF- lithium fluoride anion 2ΣC∞v
222 LiF+ lithium fluoride cation 2ΠC∞v
223 BeF- Beryllium monofluoride anion 1ΣC∞v
224 MgF Magnesium monofluoride 2ΣC∞v
225 MgF- magnesium fluoride anion 1ΣC∞v
226 MgF+ magnesium fluoride cation 1ΣC∞v
227 BF Boron monofluoride 1ΣC∞v
228 BF- Boron monofluoride anion 2ΠC∞v
229 BF+ Boron monofluoride cation 2ΣC∞v
230 AlCl Aluminum monochloride 1ΣC∞v
231 CF Fluoromethylidyne 2ΠC∞v
232 CF- carbon monofluoride anion 3ΣC∞v
233 CF- carbon monofluoride anion 1ΣC∞v
234 CF+ carbon monofluoride cation 1ΣC∞v
235 SiF silicon monofluoride 2ΠC∞v
236 SiF+ silicon monofluoride cation 1ΣC∞v
237 NF nitrogen fluoride 3ΣC∞v
238 NF nitrogen fluoride 1ΣC∞v
239 NF- nitrogen monofluorine anion 2ΠC∞v
240 NF+ nitrogen monofluoirde cation 2ΠC∞v
241 NCl nitrogen monochloride 3ΣC∞v
242 FO Oxygen monofluoride 2ΠC∞v
243 FO- flourine oxide anion 1ΣC∞v
244 FO+ fluorine monoxide cation 3ΣC∞v
245 ClO Monochlorine monoxide 2ΠC∞v
246 SF Monosulfur monofluoride 2ΠC∞v
247 SF+ sulfur monofluoride cation 3ΣC∞v
248 SCl sulfur monochloride 2ΠC∞v
249 SCl+ sulfur monochloride cation 3ΣgC∞v
250 SBr Sulfur monobromide radical   
251 F2 Fluorine diatomic 1ΣgD∞h
252 F2- flourine diatomic anion 2ΣuD∞h
253 F2+ flourine diatomic cation 2ΠgD∞h
254 ClF Chlorine monofluoride 1Σ+C∞v
255 Cl2 Chlorine diatomic 1ΣgD∞h
256 Cl2- chlorine diatomic anion 2ΣuD∞h
257 Cl2+ chlorine diatomic cation 2ΠgD∞h
258 HCF Fluoromethylene 1A'Cs
259 HOF Hypofluorous acid 1A'Cs
260 CH2Cl chloromethyl radical 2A'Cs
261 CH3F Methyl fluoride 1A1C3v
262 CH3Cl Methyl chloride 1A1C3v
263 SiH3Cl chlorosilane 1A1C1
264 C3 carbon trimer 1ΣgD∞h
265 C3H3 Propargyl radical 2B1Cs
266 CH2CCH2 allene 1A1D2d
267 CH3CCH propyne 1A'C3v
268 C3H6 Cyclopropane 1A1'D3h
269 CH2CHCH3 Propene 1A'Cs
270 C3H7 n-Propyl radical 2A"C1
271 C3H8 Propane 1A1C2v
272 Si3H8 trisilane   
273 HN3 hydrogen azide 1A'Cs
274 CH2NN diazomethane 1A1C2v
275 CH3CN Acetonitrile 1A1C3v
276 CH3NC methyl isocyanide 1A1C3v
277 NHCHNH2 aminomethanimine 1AC1
278 C2H5N Aziridine 1A'C1
279 CH3CH2NH2 Ethylamine 1A'Cs
280 CH3NHCH3 Dimethylamine 1A'Cs
281 Li2S dilithium sulfide 1ΣGD∞h
282 Li2S dilithium sulfide 1A1C2v
283 BO2 Boron dioxide 2A'D∞h
284 N2O Nitrous oxide 1ΣC∞v
285 NNS Nitrogen sulfide 1ΣC∞v
286 CO2 Carbon dioxide 1ΣgD∞h
287 OCS Carbonyl sulfide 1ΣC∞v
288 CS2 Carbon disulfide 1ΣgD∞h
289 SiS2 Silicon disulfide 1ΣGD∞h
290 NO2 Nitrogen dioxide 2A1C2v
291 NSO sulfinyl amidogen   
292 SNO Nitrogen oxide sulfide   
293 O3 Ozone 1A1Cs
294 SO2 Sulfur dioxide 1A1C2v
295 S3 Sulfur trimer 1A1C2v
296 S3 Sulfur trimer   
297 S3+ Sulfur trimer cation 2B2C2v
298 HCCO ketenyl radical 2A"Cs
299 HCNO fulminic acid 1ΣC∞v
300 HNCO Isocyanic acid 1A'Cs
301 HOCN cyanic acid 1A'Cs
302 HOCO Hydrocarboxyl radical 1A'cis
303 HOCO Hydrocarboxyl radical 1A'trans
304 HNO2 Nitrous acid 1A'Cs
305 CH2CO Ketene 1A1C2v
306 HCCOH ethynol 1A'Cs
307 CH2CS Thioketene   
308 CH2O2 Dioxirane 1A1C2v
309 HCOOH Formic acid 1A'Cs
310 HSSSH trisulfane 1AC2
311 HSSSH trisulfane 1A'Cs
312 CH3CO Acetyl radical 2A'Cs
313 CHONH2 formamide 1A'Planar
314 C2H4O Ethylene oxide 1A1C2v
315 CH2CHOH ethenol 1A'Cs
316 CH3CHO Acetaldehyde 1A'Cs
317 C2H4S Thiirane 1A1C2v
318 CH3CHS Thioacetaldehyde 1A'C1
319 CH3OOH Methyl peroxide 1AC1
320 CH3SSH Hydrogen methyl disulfide   
321 H2OH2CO water formaldehyde dimer 1AC1
322 CH3CH2OH Ethanol 1A'Cs
323 CH3OCH3 Dimethyl ether 1A1C2v
324 CH3CH2SH ethanethiol 1A'Cs
325 CH3OHH2O methanol water dimer 1A'C1
326 FCN Cyanogen fluoride 1ΣC∞v
327 FNO Nitrosyl fluoride 1A'Cs
328 FNS Thionitrosyl fluoride 1A'Cs
329 FSN Thiazyl fluoride 1A'Cs
330 OPCl Phosphorus oxychloride   
331 CF2 Difluoromethylene 1A1D∞h
332 GeCl2 Germanium dichloride 1A1C2v
333 FOO Dioxygen monofluoride radical 2A"Cs
334 OClO Chlorine dioxide 2B1D∞h
335 ClSO Sulfur chloride oxide 2A"Cs
336 NF2 Difluoroamino radical 2B1C2v
337 FClO chlorosyl fluoride 1A'Cs
338 F2O Difluorine monoxide 1A1C2v
339 ClOF Chlorine hypofluorite 1A'Cs
340 SF2 sulfur difluoride 1A1C2v
341 SCl2 Sulfur dichloride 1A1C2v
342 SeCl2 Selenium Dichloride   
343 SBr2 Sulfur dibromide   
344 SeBr2 Selenium dibromide   
345 HCCF Fluoroacetylene 1ΣC∞v
346 HFCO formyl fluoride 1A'Cs
347 BHF2 Difluoroborane 1A1C2v
348 CH2F2 Methane, difluoro- 1A1C2v
349 CH2Cl2 Methylene chloride 1A1C2v
350 SiH2Cl2 dichlorosilane 1A1C2v
351 CH2CHF Ethene, fluoro- 1A'Cs
352 C2H5F fluoroethane 1A'Cs
353 C4 Carbon tetramer 3ΣgD∞h
354 C4H2 Diacetylene 1ΣgD∞h
355 C2H3CCH 1-Buten-3-yne 1A'C1
356 H2CCCCH2 Butatriene 1AgD2h
357 C4H6 1-Methylcyclopropene 1AC1
358 C4H6 Cyclobutene 1A1C2v
359 C4H6 Methylenecyclopropane 1A1C2v
360 CH2CCHCH3 1,2-Butadiene 1A'C1
361 CH2CHCHCH2 1,3-Butadiene 1AgC2h
362 CH3CCCH3 2-Butyne 1A1'D3h
363 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
364 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
365 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
366 C(CH3)3 Tert-butyl radical 2A"C3v
367 CH2CH(CH3)2 Isobutyl radical 2A'C1
368 CH3CHCH2CH3 2-Butyl radical 1AC1
369 CH3CH(CH3)CH3 Isobutane 1A1C3v
370 CH3CH2CH2CH3 Butane 1AgAnti
371 C2N2 Cyanogen 1ΣgD∞h
372 C3H3N acrylonitrile 1A'Cs
373 C3H7N Cyclopropylamine 1A'C1
374 C4H8 cyclobutane 1A1D2d
375 C2H8N2 Ethylenediamine 1AgC2h
376 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
377 N(CH3)3 Trimethylamine 1A1C3v
378 B2O2 Diboron dioxide 1ΣgD∞h
379 S2N2 Disulfur dinitride 1AGD2h
380 CS3-- Carbonotrithioate   
381 NO3 Nitrogen trioxide 2A1'all bonds equal
382 SO3 Sulfur trioxide 1A1'D3h
383 S4 Sulfur tetramer   
384 S4 Sulfur tetramer   
385 S4 Sulfur tetramer   
386 HNO3 Nitric acid 1A'Cs
387 C2H2O2 Ethanedial 1AgC2h
388 CH3NO2 Methane, nitro- 1A'Cs
389 CH3ONO Methyl nitrite 1A'C1
390 H3AlO3 Aluminum hydroxide   
391 C3H4O 2-Propyn-1-ol 1A'Cs
392 C3H4O Cyclopropanone 1A1C2v
393 C3H4O Methylketene 1A'Cs
394 CH2CHCHO Acrolein 1A'Cs
395 NH2CONH2 Urea 1AC2
396 CH3COOH Acetic acid 1A'Cs
397 CH3OCHO methyl formate 1A'Cs
398 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
399 H2OHCOOH Water formic acid dimer 1 1AC1
400 H2OHCOOH Water formic acid dimer 2 1AC1
401 HCOOHH2O Formic acid water dimer 1AC1
402 CH3CHNOH Acetaldoxime 1A'CS trans
403 CH3CONH2 Acetamide 1A'C1
404 CH3CSNH2 Ethanethioamide   
405 C3H6O Propylene oxide 1AC1
406 CH3CH2CHO Propanal 1A'Cs
407 CH3COCH3 Acetone 1A1C2v
408 C2H6O2 1,2-Ethanediol 1AgC2h
409 C3H7OH 1-Propanol 1A'Cs
410 CH3CHOHCH3 Isopropyl alcohol 1AC1
411 C2F2 difluoroacetylene 1ΣgD∞h
412 N2F2 (Z)-Difluorodiazene 1A1C2v
413 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
414 CF2O Carbonic difluoride 1A1C2v
415 Cl2CS Thiophosgene 1A1C2v
416 BF3 Borane, trifluoro- 1A'D3h
417 AlF3 Aluminum trifluoride 1A1'D3h
418 CF3 Trifluoromethyl radical 2A1C3v
419 ClO2F Chloryl fluoride 1A'Cs
420 F2SO Thionyl Fluoride 1A'Cs
421 FSSF Difluorodisulfane 1AC2
422 S2F2 Thio-thionyl fluoride 1A'Cs
423 SSCl2 Thiothionyl chloride   
424 NF3 Nitrogen trifluoride 1A1C3v
425 SF3 Sulfur trifluoride 2A'Cs
426 ClF3 Chlorine trifluoride 1A1'D3h
427 ClF3 Chlorine trifluoride 1A1C2v
428 HClO3 Chloric Acid 1AC1
429 CHF3 Methane, trifluoro- 1A1C3v
430 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
431 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
432 CH3COF Acetyl fluoride 1A'NULL
433 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
434 C5H5- cylopentadienyl anion 1A1'D5h
435 C5H6 1,3-Cyclopentadiene 1A1C2v
436 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
437 C5H6 3-Penten-1-yne, (E)- 1A'Cs
438 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
439 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
440 C5H6 Cyclopropylacetylene 1A'C1
441 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
442 C5H8 1,2-Pentadiene 1A'C1
443 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
444 C5H8 1,3-Pentadiene, (E)- 1A'C1
445 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
446 C5H8 1,4-Pentadiene 1AC2
447 C5H8 2,3-Pentadiene 1AC1
448 C5H8 Cyclobutane, methylene- 1A'Cs
449 C5H8 Cyclopentene 1A'Cs
450 C5H10 1-Butene, 2-methyl- 1AC1
451 C5H10 2-Butene, 2-methyl- 1A'Cs
452 C5H10 2-Pentene, (E)- 1A'Cs
453 C5H10 2-Pentene, (Z)- 1AC1
454 C5H10 Cyclopentane 1AC1
455 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
456 C5H11 2-Methylbut-2-yl radical 1AC1
457 C5H12 Butane, 2-methyl- 1AC1
458 C5H12 Pentane 1A1C2v
459 C5H12 Propane, 2,2-dimethyl- 1A1Td
460 N2O3 Dinitrogen trioxide 1A'Cs
461 C3H2N2 Malononitrile 1A1Cs
462 C3H4N2 1H-Imidazole 1A'Cs
463 C3H4N2 1H-Pyrazole 1A'Cs
464 C4H5N (E)-2-Butenenitrile 1A'Cs
465 C4H5N (Z)-2-Butenenitrile 1A'Cs
466 C4H5N Cyclopropanecarbonitrile 1A'Cs
467 C4H5N Pyrrole 1A1C2v
468 C3H6N2 3-Aminopropionitrile 1A'Cs
469 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
470 C5H8 Spiropentane 1A1D2d
471 C4H9N Cyclobutylamine 1A'Cs
472 C4H9N Pyrrolidine 1A'Cs
473 C3H10N2 1,2-Diaminopropane 1AC1
474 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
475 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
476 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
477 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
478 C3O2 Carbon suboxide 1ΣGD∞h
479 H2SO4 Sulfuric acid 1AC1
480 C3H3NO Isoxazole 1A'Cs
481 CH3NO3 Methyl nitrate 1A'Cs
482 C4H4O Furan 1A1C2
483 C3H4O2 β–Propiolactone 1A'Cs
484 C3H4O2 2-Propenoic acid 1A'Cs
485 CH2CHCONH2 Acrylamide 1ACs
486 CH3OCH2CN Methoxyacetonitrile 1A'Cs
487 H2NCH2COOH Glycine 1A'Cs
488 C4H6O Cyclobutanone 1A1C2v
489 C4H6O Furan, 2,3-dihydro- 1AC1
490 CH2CHOCHCH2 Vinyl ether 1A1C2v
491 CHOCHCHCH3 2-Butenal 1A'Cs
492 C2H6N2O Urea, methyl- 1AC1
493 C3H6O2 1,3-Dioxolane 1AC1
494 CH3COOCH3 methyl acetate 1A'Cs
495 C2H6O2S Dimethyl sulfone 1A1C2v
496 C3H7NO Propanamide 1A'C1
497 C2H3OC2H5 Ethene, ethoxy- 1AC1
498 C4H8O Cyclobutanol 1A'C1
499 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
500 CH3COCH2CH3 2-Butanone 1AC1
501 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
502 CHOCH2CH2CH3 Butanal 1A'Cs
503 C3H8O2 1,3-Propanediol 1A1C1
504 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
505 C3H8O2 Methane, dimethoxy- 1A1C2v
506 C3H8O2 Propylene glycol 1AC1
507 C4H10O 1-Propanol, 2-methyl- 1AC1
508 C4H10O 2-Butanol, (.+/-.)- 1AC1
509 C4H10O Ethanol, 1,1-dimethyl- 1AC1
510 C4H10O Ethoxy ethane 1A1C2v
511 C4H10O Propane, 2-methoxy- 1A'Cs
512 FNO3 Fluorine nitrate 1A'Cs
513 F3NO Nitrogen trifluoride oxide 1A1C3v
514 CF4 Carbon tetrafluoride 1A1Td
515 CF2Cl2 difluorodichloromethane 1A1C2v
516 SF4 Sulfur tetrafluoride 1A1C2v
517 C2HF3 Trifluoroethylene 1A'Cs
518 HClO4 perchloric acid 1ACs
519 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
520 SiH3CCl3 (trichloromethyl)silane 1A1C3v
521 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
522 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
523 C6H5 phenyl 2A1C2v
524 C6H6 2,4-Hexadiyne 1A1'D3h
525 C6H6 Benzene 1A1gD6h
526 C6H8 (E)-hexa-1,3,5-triene 1AgCs
527 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
528 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
529 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
530 C6H8 1,4-Cyclohexadiene 1AgC2v
531 C6H8 3-Methylenecyclopentene 1AC1
532 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
533 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
534 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
535 C6H10 1,3-Hexadiene, (E)- 1A'Cs
536 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
537 C6H10 1,4-Hexadiene, (E)- 1AC1
538 C6H10 1,4-Hexadiene, (Z)- 1AC1
539 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
540 C6H10 1-Hexyne 1A'Cs
541 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
542 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
543 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
544 C6H10 2-Hexyne 1A'C1
545 C6H10 3-Hexyne 1A1C2v
546 C6H10 cyclohexene 1AC2
547 C6H10 Cyclopentene, 1-methyl- 1AC1
548 C6H10 Cyclopentene, 3-methyl- 1AC1
549 C6H10 Cyclopentene, 4-methyl- 1AC1
550 C6H12 (E)-3-methylpent-2-ene 1AC1
551 C6H12 (Z)-3-methylpent-2-ene 1AC1
552 C6H12 3-methylenepentane 1AC1
553 C6H12 Cyclohexane 1A1gChair
554 C6H12 Cyclopentane, methyl- 1AC1
555 C6H12 Ethylcyclobutane 1AC1
556 C6H12 hex-1-ene 1A'Cs
557 C6H14 Butane, 2,2-dimethyl- 1A'C1
558 C6H14 Butane, 2,3-dimethyl- 1AgC2h
559 C6H14 Hexane 1AgC2h
560 C6H14 Pentane, 2-methyl- 1AC1
561 C6H14 Pentane, 3-methyl- 1A'Cs
562 C4N2 2-Butynedinitrile 1ΣgD∞h
563 C3H3N3 1,3,5-Triazine 1A1'D3h
564 CH3N5 5-Aminotetrazole 1AC1
565 C4H4N2 1,3-Diazine 1A1C2v
566 C4H4N2 Pyrazine 1AgD2h
567 C4H4N2 Pyridazine 1A1C2v
568 C4H4N2 Succinonitrile 1AgC2h
569 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
570 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
571 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
572 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
573 C5H5N Pyridine 1A1C2v
574 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
575 C5H7N (E)-2-Pentenenitrile 1A'Cs
576 C5H7N (E)-3-Pentenenitrile 1AC1
577 C5H7N (Z)-2-Pentenenitrile 1AC1
578 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
579 C5H7N Cyclobutanecarbonitrile 1A'Cs
580 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
581 C5H9N Butanenitrile, 2-methyl- 1AC1
582 C5H9N Pentanenitrile 1A'Cs
583 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
584 C5H11N Cyclopentanamine 1A'Cs
585 C5H11N Piperidine 1A'NH equatorial
586 C5H11N Piperidine 1A'NH axial
587 C4H12N2 1,2-Butanediamine 1AC1
588 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
589 N2O4 Dinitrogen tetroxide 1AgD2d
590 C2H3NO3 Oxamic acid 1A'H out
591 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
592 C2H4N2O2 Oxalamide 1AgC2h
593 C4H5NO 3-Methylisoxazole 1AC1
594 C4H5NO Isoxazole, 5-methyl- 1AC1
595 C4H6O2 2-Propenoic acid, methyl ester 1AC1
596 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
597 C2H6N2O2 Dimethylnitroamine 1AC1
598 C3H6O3 1,3,5-Trioxane 1A1C1
599 C4H7NO 2-Pyrrolidinone 1AC1
600 C4H7NO Methacrylamide 1AC1
601 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
602 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
603 CH3CH(NH2)COOH Alanine 1AC1
604 CH3NHCH2COOH Sarcosine 1AC1
605 NH2CH2CH2COOH β–alanine 1AC1
606 NH2COOC2H5 Urethane 1AC1
607 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
608 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
609 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
610 NH2CONHC2H5 Urea, ethyl- 1AC1
611 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
612 C4H8O2 1,4-Dioxane 1AgC2h
613 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
614 C3H8O3 1,2,3-Propanetriol 1AC1
615 C4H9NO Butanamide 1AC1
616 C4H9NO Propanamide, 2-methyl- 1AC1
617 C5H10O 2-Butanone, 3-methyl- 1AC1
618 C5H10O 2H-Pyran, tetrahydro- 1A'C1
619 C5H10O 2-Pentanone 1AC1
620 C5H10O Cyclopentanol 1AC1
621 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
622 C5H10O Pentanal 1A'C1
623 C4H10O2 1,1-Dimethoxyethane 1A'Cs
624 C4H10O2 1,3-Butanediol 1AC1
625 C4H10O2 1,4-Butanediol 1AgC2h
626 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
627 C4H11NO Diethylhydroxylamine 1A'Cs
628 C5H12O 1-Butanol, 2-methyl- 1AC1
629 C5H12O 1-Butanol, 3-methyl- 1A'Cs
630 C5H12O 1-Pentanol 1A'Cs
631 C5H12O 2-Butanol, 3-methyl- 1AC1
632 C5H12O 2-Pentanol 1AC1
633 C5H12O 3-Pentanol 1AC1
634 C5H12O Butane, 1-methoxy- 1A'Cs
635 C5H12O Propane, 1-ethoxy- 1A'Cs
636 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
637 B2F4 Diboron tetrafluoride 1AGD2h
638 C2F4 Tetrafluoroethylene 1AgD2h
639 CF3OF Trifluoromethylhypofluorite 1A'Cs
640 SiF5- silicon pentafluoride anion   
641 SOF4 Sulfur tetrafluoride oxide 1A1C2v
642 PF5 Phosphorus pentafluoride 1A1'D3h
643 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
644 C6H5CH3 toluene 1A'Cs
645 C7H12 Norbornane 1A1C2v
646 C7H16 2-methylhexane 1AC1
647 C7H16 heptane 1A1C2v
648 C6H5NH2 aniline 1A'Cs
649 C5H5NO 2(1H)-Pyridinone 1A'Cs
650 C5H5NO 2(3H)-Pyridinone 1ACs
651 C5H5NO 2(5H)-Pyridinone 1A'Cs
652 C5H5NO 2-Pyridinol 1A'Cs
653 C5H5NO 3(2H)-Pyridinone 1A'Cs
654 C5H5NO 3(4H)-Pyridinone 1A'C1
655 C5H5NO 3(6H)-Pyridinone 1A'Cs
656 C5H5NO 3-Pyridinol 1A'Cs
657 C5H5NO 4(1H)-Pryidinone 1A'Cs
658 C5H5NO 4(3H)-Pryidinone 1A'Cs
659 C5H5NO 4-Pyridinol 1A'Cs
660 C6H5OH phenol 1A'Cs
661 C6H10O cyclohexanone 1A'Cs
662 PF6- Hexafluorophosphate ion 1A1GOh
663 SF5Cl sulfur chloropentafluoride 1A1C4v
664 C6H5F Fluorobenzene 1A1C2v
665 C6H5CCH phenylacetylene 1A1C2v
666 C6H5CHCH2 Styrene 1A'Cs
667 C8H8 cubane 1A1GOh
668 C8H8 cyclooctatetraene 1A1D2d
669 C6H5CH2CH3 Ethylbenzene 1A'Cs
670 C6H5CN phenyl cyanide 1A1C2v
671 C6H5CHO benzaldehyde 1A'Cs
672 C6H5OCH3 Anisole 1A'Cs
673 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
674 C2F6 hexafluoroethane 1A1gD3d
675 C6H5NO2 Nitrobenzene 1A1C2v
676 C6H5COOH benzoic acid 1A'Cs
677 C10H8 naphthalene 1AgD2h
678 C10H16 adamantane 1A1Td

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H- Hydrogen atom anion h-  
5 H2+ Hydrogen cation h2+  
6 H3+ hydrogen trimer cation h3+  
7 He- Helium atom anion he-  
8 He+ Helium atom cation he+  
9 HeH Helium hydride heh  
10 Li- Lithium atom anion li-  
11 Li+ Lithium atom cation li+  
12 Na- Sodium atom anion na-  
13 Na+ Sodium atom cation na+  
14 K Potassium atom k  
15 K- Potassium atom anion k-  
16 K+ Potassium atom cation k+  
17 Cu Copper atom cu  
18 Cu- Copper atom anion cu-  
19 Cu+ Copper atom cation cu+  
20 NaH- sodium hydride anion nah-  
21 NaH+ sodium hydride cation nah+  
22 KH Potassium hydride kh  
23 KH+ Potassium hydrogen cation kh+  
24 CuH Copper monohydride cuh  
25 Be- Beryllium atom anion be-  
26 Be+ Beryllium atom cation be+  
27 Mg- Magnesium atom anion mg-  
28 Mg+ Magnesium atom cation mg+  
29 Ca Calcium atom ca  
30 Ca- Calcium atom anion ca-  
31 Ca+ Calcium atom cation ca+  
32 Zn Zinc atom zn  
33 Zn- Zinc atom anion zn-  
34 Zn+ Zinc atom cation zn+  
35 CaH Calcium monohydride cah  
36 CaH+ Calcium monohydride cation cah+  
37 TiH Titanium monohydride tih  
38 ZnH Zinc monohydride znh  
39 ZnH+ Zinc, protonated znh+  
40 BeH2+ Beryllium dihydride cation beh2+  
41 CaH2 Calcium Hydride cah2  
42 ZnH2 Zinc hydride znh2  
43 B- Boron atom anion b-  
44 B+ Boron atom cation b+  
45 Al Aluminum atom al  
46 Al- Aluminum atom anion al-  
47 Al+ Aluminum atom cation al+  
48 Sc Scandium atom sc  
49 Sc+ Scandium cation sc+  
50 Ga Gallium atom ga  
51 Ga- Gallium atom anion ga-  
52 Ga+ Gallium atom cation ga+  
53 AlH- aluminum monohydride anion alh-  
54 AlH+ aluminum monohydride cation alh+  
55 ScH Scandium monohydride sch  
56 ScH+ Scandium monohydride cation sch+  
57 GaH Gallium monohydride gah  
58 GaH+ Gallium monohydride cation gah+  
59 BH2- boron dihydride anion bh2-  
60 BH2+ Boron dihydride cation bh2+  
61 AlH2 aluminum dihydride alh2  
62 AlH2- aluminum dihydride anion alh2-  
63 AlH2+ aluminum dihydride cation alh2+  
64 BH3- boron trihydride anion bh3-  
65 AlH3 aluminum trihydride alh3  
66 AlH3- aluminum trihydride anion alh3-  
67 AlH3+ aluminum trihydride cation alh3+  
68 ScH3 Scandium trihydride sch3  
69 GaH3 Gallium trihydride gah3  
70 BH4 borohydride bh4  
71 BH4- borohydride anion bh4-  
72 AlH4- Aluminum tetrahydride anion alh4-  
73 C- Carbon atom anion c-  
74 C+ Carbon atom cation c+  
75 Si- Silicon atom anion si-  
76 Si+ Silicon atom cation si+  
77 Ti Titanium atom ti  
78 Ti- Titanium atom anion ti-  
79 Ti+ Titanium atom cation ti+  
80 Ge Germanium atom ge  
81 Ge- Germanium anion ge-  
82 Ge+ Germanium cation ge+  
83 Sn Tin atom sn  
84 Sn+ Tin cation sn+  
85 SiH Silylidyne sih  
86 SiH- silicon monohydride anion sih-  
87 SiH+ silicon monohydride cation sih+  
88 GeH germylidene geh  
89 GeH+ Germaniun monohyrdide cation geh+  
90 SiH2- silicon dihydride anion sih2-  
91 SiH2+ silicon dihydride cation sih2+  
92 GeH2 germylene geh2  
93 GeH2- germylene anion geh2-  
94 SiH3- Silyl anion sih3-  
95 SiH3+ Silyl cation sih3+  
96 GeH3 Germyl radical geh3  
97 GeH3+ germyl cation geh3+  
98 CD4 methane-d4 cd4  
99 CH2D2 methane-d2 ch2d2  
100 CH3D methane-d ch3d  
101 CH4- Methane anion ch4-  
102 CHD3 methane-d3 chd3  
103 SiH2D2 silane-d2 sih2d2  
104 SiH4+ Silane cation sih4+  
105 GeH4 Germane geh4  
106 SnH4 Stannane snh4  
107 SiH5+ Silane, protonated sih5+  
108 N Nitrogen atom n  
109 N- Nitrogen atom anion n-  
110 N+ Nitrogen atom cation n+  
111 P- Phosphorus atom anion p-  
112 P+ Phosphorus atom cation p+  
113 V Vanadium atom v  
114 V+ Vanadium atom cation v+  
115 As Arsenic atomic as  
116 As- Arsenic anion as-  
117 As+ Arsenic cation as+  
118 Sb Antimony atom sb  
119 PH phosphorus monohydride ph  
120 PH- phosphorus monohydride anion ph-  
121 PH+ phosphorus monohydride cation ph+  
122 AsH Arsenic monohydride ash  
123 AsH+ Arsenic monohydride cation ash+  
124 SbH Antimony monohydride sbh  
125 NH2+ Amino cation nh2+  
126 PH2 Phosphino radical ph2  
127 PH2- Phosphino anion ph2-  
128 PH2+ Phosphino cation ph2+  
129 AsH2 Arsenic dihydride ash2  
130 AsH2+ Arsenic dihydride cation ash2+  
131 NH3- Ammonia anion nh3-  
132 NH3+ ammonia cation nh3+  
133 PH3+ Phosphine cation ph3+  
134 AsH3 Arsine ash3  
135 AsH3+ Arsine cation ash3+  
136 SbH3 Stibine sbh3  
137 AsH4+ Arsonium ash4+  
138 NH4 Ammonium radical nh4  
139 NH4+ ammonium cation nh4+  
140 PH4 Phosphoranyl radical ph4  
141 O- Oxygen atom anion o-  
142 O+ Oxygen atom cation o+  
143 S- Sulfur atom anion s-  
144 S+ Sulfur atom cation s+  
145 Cr Chromium atom cr  
146 Se Selenium atom se  
147 Se- Selenium atom anion se-  
148 Se+ Selenium atom cation se+  
149 Te Tellurium atom te  
150 Te+ Tellurium atom cation te+  
151 OH- hydroxide anion oh-  
152 DS Mercapto-d ds  
153 HS- mercapto anion sh-  
154 HS+ sulfur monohydride cation sh+  
155 CrH Chromium hydride crh  
156 CrH+ Chromium hydride cation crh+  
157 HSe Selenium monohydride hse  
158 HSe- selenium monohydride anion hse-  
159 HSe+ selenium monohydride cation hse+  
160 TeH Telluryl radical teh  
161 H2S- Hydrogen sulfide anion h2s-  
162 H2Se Hydrogen selenide h2se  
163 H2Se+ Hydrogen selenide cation h2se+  
164 H2Te Hydrogen Telluride h2te  
165 H3Se+ Hydrogen Selenide, protonated h3se+  
166 F- Fluorine atom anion f-  
167 F+ Fluorine atom cation f+  
168 Cl- Chlorine atom anion cl-  
169 Cl+ Chlorine atom cation cl+  
170 Mn Manganese atom mn  
171 Br Bromine atom br  
172 Br- Bromine atom anion br-  
173 Br+ Bromine atom cation br+  
174 I Iodine atom iodine  
175 I- Iodine atom anion iodine-  
176 I+ Iodine atom cation iodine+  
177 DCl Hydrochloric acid-d dcl  
178 HCl- hydrogen chloride anion hcl-  
179 HBr hydrogen bromide hbr  
180 HBr- hydrogen bromide anion hbr-  
181 HBr+ hydrogen bromide cation hbr+  
182 HI Hydrogen iodide hi  
183 HI+ Hydrogen iodide cation hi+  
184 H2F+ dihydrogen fluoride cation h2f+  
185 H2Br+ protonated hydrogen bromide h2br+  
186 H2I+ Iodonium h2i+  
187 Ne Neon atom ne  
188 Ne- Neon atom anion ne-  
189 Ne+ Neon atom cation ne+  
190 Ar Argon atom ar  
191 Ar- Argon atom anion ar-  
192 Ar+ Argon atom cation ar+  
193 Fe Iron atom fe  
194 Kr Krypton atom kr  
195 Kr+ Krypton cation kr+  
196 Xe Xenon atom xe  
197 HeLi+ Helium Lithium cation heli+  
198 NeH neon hydrogen neh  
199 ArH+ Argon hydride cation arh+  
200 KrH+ Protonated Krypton krh+  
201 XeH+ Xenon, protonated xeh+  
202 H2Ar H2 Ar dimer h2ar  
203 Co Cobalt atom cobalt  
204 Ni Nickel atom ni  
205 Li2+ lithium diatomic cation li2+  
206 NaLi+ lithium sodium cation lina+  
207 LiK Lithium Potassium lik  
208 NaK Sodium Potassium nak  
209 NaK+ Sodium Potassium diatomic cation nak+  
210 K2 Potassium diatomic k2  
211 Cu2 Copper diatomic cu2  
212 LiBe Lithium Beryllium libe  
213 LiMg Lithium magnesium limg  
214 NaBe Sodium Beryllium nabe  
215 NaMg Sodium Magnesium namg  
216 Be2 Beryllium diatomic be2  
217 BeMg Beryllium Magnesium bemg  
218 Ca2 Calcium diatomic ca2  
219 LiB Lithium boride lib  
220 LiAl Lithium Aluminum lial  
221 NaAl Sodium aluminum naal  
222 BeB Beryllium monoboride beb  
223 B2+ Boron diatomic cation b2+  
224 Al2 Aluminum diatomic al2  
225 Al2- aluminum diatomic anion al2-  
226 Al2+ aluminum diatomic cation al2+  
227 BGa Boron Gallium bga  
228 AlGa Aluminum Gallium alga  
229 Ga2 Gallium diatomic ga2  
230 HBBH Diborane(2) hbbh  
231 LiBH4 Lithium borohydride libh4  
232 B2H4 Diborane(4) D2d b2h4  
233 HBHHBH Diborane(4) C2V hbhhbh  
234 B2H6+ Diborane cation b2h6  
235 Al2H6 dialane al2h6  
236 Ga2H6 digallane ga2h6  
237 LiC Lithium Carbide lic  
238 BeC Beryllium Carbide bec  
239 CaC Calcium monocarbide cac  
240 BC boron monocarbide bc  
241 BSi Boron silicide bsi  
242 C2+ carbon diatomic cation c2+  
243 SiC- silicon monocarbide anion sic-  
244 SiC+ silicon monocarbide cation sic+  
245 Si2 Silicon diatomic si2  
246 Si2- silcon diatomic anion si2-  
247 Si2+ silcon diatomic cation si2+  
248 GeC Germanium monocarbide gec  
249 SiGe Silicon Germanium sige  
250 Ge2 Germanium diatomic ge2  
251 ZnCH2 Zinc methylene znch2  
252 H2CC- vinylidene anion h2cc-  
253 HCCH- acetylene anion c2h2-  
254 Si2H2 disilyne si2h2  
255 CuCH3 monomethyl copper cuch3  
256 ZnCH3 Zinc monomethyl znch3  
257 CH2BH methyleneborane ch2bh  
258 C2H3- vinyl anion c2h3-  
259 CH2SiH2 silaethylene ch2sih2  
260 Si2H4 Disilene si2h4  
261 CH3BH2 methylborane ch3bh2  
262 C2H5- Ethyl anion c2h5-  
263 C2H5+ Ethyl cation c2h5+  
264 C2H6+ ethane cation c2h6+  
265 CH3SiH3 methyl silane ch3sih3  
266 GeH3CH3 methyl germane geh3ch3  
267 C2H7+ Ethane, protonated c2h7+  
268 LiP Lithium monophosphide lip  
269 BeN Beryllium mononitride ben  
270 BeN+ Beryllium mononitride cation ben+  
271 MgN Magnesium Nitride mgn  
272 AlN- aluminum mononitride anion aln-  
273 AlN+ aluminum mononitride cation aln+  
274 BP Boron monophosphide bp  
275 AlP Aluminum monophosphide alp  
276 GaN Gallium mononitride gan  
277 GaP Gallium monophosphide gap  
278 GaAs Gallium arsenide gaas  
279 CP Carbon monophosphide cp  
280 CP- carbon monophosphide anion cp-  
281 CP+ carbon monophosphide cation cp+  
282 SiN Silicon nitride sin  
283 SiN- silicon mononitride anion sin-  
284 SiN+ silicon mononitride cation sin+  
285 SiP- Silicon monophosphide anion sip-  
286 SiP+ Silicon monophosphide cation sip+  
287 TiN Titanium mononitride tin  
288 N2+ diatomic nitrogen cation n2+  
289 PN Phosphorus mononitride pn  
290 PN- phosphorus nitride anion pn-  
291 PN+ phosphorus nitride cation pn+  
292 P2- phosphorus diatomic anion p2-  
293 P2+ phosphorus diatomic cation p2+  
294 AsN Arsenic mononitride asn  
295 AsP Arsenic monophosphide asp  
296 SbN Antimony nitride sbn  
297 As2 Arsenic diatomic as2  
298 HCN- Hydrogen cyanide anion hcn-  
299 HNC+ hydrogen isocyanide cation hnc+  
300 HCP Phosphaethyne hcp  
301 HCP+ Phosphaethyne cation hcp+  
302 NNH+ Dinitrogen monohydride cation nnh+  
303 HPO Hydrogen phosphorus oxide hpo  
304 HPO+ Hydrogen phosphorus oxide cation hpo+  
305 LiNH2 lithium amide linh2  
306 HBNH Boranimine hbnh  
307 CNH2 Aminomethylidyne radical cnh2  
308 CNH2+ N-protonated hydrogen isocyanide cnh2+  
309 H2CN Dihydrogen cyanide radical h2cn  
310 H2CN+ hydrocyanonium cation h2cn+  
311 HCNH methyleneazane hcnh  
312 HCNH+ N-protonated HCN hcnh+  
313 H2NN Isodiazene h2nn  
314 N2H2 (Z)-Diazene n2h2z  
315 N2H2+ trans-diazene cation n2h2+  
316 CH2NH+ Methanimine cation ch2nh+  
317 CHNH2 aminomethylene chnh2  
318 CHNH2+ Aminocarbene cation chnh2+  
319 BH2NH2 Boranamine bh2nh2  
320 N2H4+ hydrazine cation n2h4+  
321 P2H4 Diphosphine p2h4  
322 CH3NH2+ methyl amine cation ch3nh2+  
323 CH3PH2 Methyl phosphine ch3ph2  
324 SiH3NH2 Silane, amino sih3nh2  
325 N2H5+ protonated hydrazine n2h5+  
326 CH3NH3 methyl ammonium radical ch3nh3  
327 CH3PH3+ methyl phosphine, protonated ch3ph3+  
328 N2H7+ ammonia ammonium dimer n2h7+  
329 LiO lithium oxide lio  
330 LiS+ Lithium sulfide cation lis+  
331 NaO+ sodium oxide cation nao+  
332 KO Potassium monoxide ko  
333 KO+ Potassium monoxide cation ko+  
334 NaS Sodium sulfide nas  
335 CuO Copper Monoxide cuo  
336 LiSe Lithium monoselenide lise  
337 BeS beryllium sulfide bes  
338 CaO Calcium monoxide cao  
339 MgS magnesium sulfide mgs  
340 MgS- magnesium sulfide anion mgs-  
341 MgS+ magnesium sulfide cation mgs+  
342 ZnO zinc monoxide zno  
343 ZnS Zinc sulfide zns  
344 BeS- Beryllium monosulfide anion bes-  
345 BeS+ Beryllium monosulfide cation bes+  
346 AlO Aluminum monoxide alo  
347 AlO- Aluminum monoxide anion alo-  
348 AlO+ aluminum monoxide cation alo+  
349 BS boron sulfide bs  
350 BS- boron monosulfide anion bs-  
351 BS+ boron monosulfide cation bs+  
352 AlS Aluminum sulfide als  
353 AlS- aluminum monosulfide anion als-  
354 AlS+ aluminum monosulfide cation als+  
355 ScO Scandium monoxide sco  
356 GaO Gallium monoxide gao  
357 GaS Gallium monosulfide gas  
358 CS carbon monosulfide cs  
359 CS- carbon monosulfide anion cs-  
360 CS+ carbon monosulfide cation cs+  
361 SiO Silicon monoxide sio  
362 SiO- silicon monoxide anion sio-  
363 SiO+ silicon monoxide cation sio+  
364 SiS silicon monosulfide sis  
365 SiS- silicon monosulfide anion sis-  
366 SiS+ silicon monosulfide cation sis+  
367 TiO Titanium monoxide tio  
368 CSe Carbon monoselenide cse  
369 CSe- Carbon monoselenide anion cse-  
370 CSe+ Carbon monoselenide cation cse+  
371 GeO+ Germanium monoxide cation geo+  
372 GeS Germanium monosulfide ges  
373 SiSe+ Silicon Monoselenide cation sise+  
374 GeSe Germanium monoselenide gese  
375 NS- nitrogen sulfide anion ns-  
376 NS+ nitrogen sulfide cation ns+  
377 PO- phosphorus monoxide anion po-  
378 PO+ phosphorus monoxide cation po+  
379 PS- phosphorus monosulfide anion ps-  
380 PS+ phosphorus monosulfide cation ps+  
381 VO Vanadium monoxide vo  
382 AsO Arsenic monoxide aso  
383 NSe Nitrogen monoselenide nse  
384 AsS Arsenic monosulfide ass  
385 PSe Phosphorus monoselenide pse  
386 AsSe Arsenic monoselenide asse  
387 O2-- dioxygen dianion o2--  
388 O2+ diatomic oxygen cation o2+  
389 SO- sulfur monoxide anion so-  
390 SO+ sulfur monoxide cation so+  
391 S2- sulfur diatomic anion s2-  
392 SeO Selenium monoxide seo  
393 SeO- selenium monoxide anion seo-  
394 SeO+ selenium monoxide cation seo+  
395 SeS Selenium monosulfide ses  
396 SeS- selenium monosulfide anion ses-  
397 SeS+ selenium monosulfide cation ses+  
398 TeO Tellurium monoxide teo  
399 Se2- selenium diatomic anion se2-  
400 Se2+ selenium diatomic cation se2+  
401 Te2 Tellurium diatomic te2  
402 NaOH sodium hydroxide naoh  
403 KOH Potassium hydroxide koh  
404 CaOH Calcium monohydroxide caoh  
405 HBS hydrogen boron sulfide hbs  
406 COH Hydroxymethylidyne coh  
407 COH+ Carbon Monoxide, protonated coh+  
408 HCO- formyl anion hco-  
409 HCS Thioformyl radical hcs  
410 HCS- Thioformyl anion hcs-  
411 HCS+ Thioformyl cation hcs+  
412 NOH Hydroxyimidogen noh  
413 NOH+ O-protonated nitric oxide noh+  
414 HNS Sulfur imide hns  
415 HNS- Sulfur imide anion hns-  
416 HO2+ Hydroperoxy cation ho2+  
417 HS2 Thiosulfeno radical hs2  
418 H2CO- formaldehyde anion h2co-  
419 HOCH hydroxycarbene hoch  
420 H2CS- thioformaldehyde anion h2cs-  
421 H2CS+ thioformaldehyde cation h2cs+  
422 H2NO nitroxide h2no  
423 H2O2+ Hydrogen peroxide cation h2o2+  
424 H2OO water oxide h2oo  
425 HOSH hydrogen thioperoxide hosh  
426 H2Se2 hydrogen diselenide h2se2  
427 CH3O- methoxy anion ch3o-  
428 CH3O+ Methoxy cation ch3o+  
429 CH3S thiomethoxy ch3s  
430 NH2OH+ Hydroxylamine cation nh2oh+  
431 NH3O Ammonia Oxide nh3o  
432 NH2SH Thiohydroxylamine nh2sh  
433 NH3S sulfidoazane nh3s  
434 H3O2+ hydrogen peroxide, protonated h3o2+  
435 CH3OH- Methyl alcohol anion ch3oh-  
436 CH3OH+ Methyl alcohol cation ch3oh+  
437 CH3SH+ Methanethiol cation ch3sh+  
438 SiH3OH silanol sih3oh  
439 CH3SeH Methane selenol ch3seh  
440 NH2OH2+ protonated hydroxylamine nh2oh2+  
441 NH3OH+ N-protonated hydroxylamine nh3oh+  
442 CH3OH2+ Methanol, protonated ch3oh2+  
443 H5O2+ Dihydroxonium ion h5o2+  
444 LiCl- lithium chloride anion licl-  
445 LiCl+ lithium chloride cation licl+  
446 KF Potassium Fluoride kf  
447 NaCl Sodium Chloride nacl  
448 NaCl- sodium chloride anion nacl-  
449 NaCl+ sodium chloride cation nacl+  
450 KCl Potassium Chloride kcl  
451 CuF Copper monofluoride cuf  
452 LiBr Lithium Bromide libr  
453 LiBr- lithium bromide anion libr-  
454 LiBr+ lithium bromide cation libr+  
455 CuCl Copper monochloride cucl  
456 NaBr Sodium Bromide nabr  
457 NaBr- sodium bromide anion nabr-  
458 NaBr+ sodium bromide cation nabr+  
459 KBr Potassium Bromide kbr  
460 LiI Lithium Iodide lii  
461 NaI Sodium Iodide nai  
462 KI Potassium Iodide ki  
463 BeF Beryllium monofluoride bef  
464 BeF+ Beryllium monofluoride cation bef+  
465 BeCl beryllium monochloride becl  
466 CaF Calcium monofluoride caf  
467 MgCl magnesium monochloride mgcl  
468 MgCl- magnesium monochloride anion mgcl-  
469 MgCl+ magnesium monochloride cation mgcl+  
470 CaCl calcium monochloride cacl  
471 TiCl Titanium Monochloride ticl  
472 ZnF Zinc monofluoride znf  
473 ZnF- Zinc monofluoride anion znf-  
474 ZnF+ Zinc monofluoride cation znf+  
475 ZnCl Zinc monochloride zncl  
476 CaBr Calcium monobromide cabr  
477 BeCl- beryllium monochloride anion becl-  
478 BeCl+ beryllium monochloride cation becl+  
479 AlF Aluminum monofluoride alf  
480 AlF- Aluminum monofluoride anion alf-  
481 AlF+ Aluminum monofluoride cation alf+  
482 BCl boron monochloride bcl  
483 BCl- boron monochloride anion bcl-  
484 BCl+ boron monochloride cation bcl+  
485 AlCl- aluminum monochloride anion alcl-  
486 AlCl+ aluminum monochloride cation alcl+  
487 ScF Scandium monofluoride scf  
488 BBr Boron monobromide bbr  
489 GaF Gallium monofluoride gaf  
490 GaF+ Gallium monofluoride cation gaf+  
491 AlBr Aluminum monobromide albr  
492 GaCl Gallium monochloride gacl  
493 GaCl+ Gallium monochloride cation gacl+  
494 AlI Aluminum monoiodide ali  
495 GaBr Gallium monobromide gabr  
496 CCl carbon monochloride ccl  
497 CCl- carbon monochloride anion ccl-  
498 CCl+ carbon monochloride cation ccl+  
499 SiF- silicon monofluoride anion sif-  
500 SiCl Clorosilylidyne sicl  
501 SiCl- silicon monochloride anion sicl-  
502 SiCl+ silicon monochloride cation sicl+  
503 CBr Carbon monobromide cbr  
504 GeF Germanium monofluoride gef  
505 GeF+ Germanium monofluoride cation gef+  
506 GeCl Germanium monochloride gecl  
507 GeCl+ Germanium monochloride cation gecl+  
508 SiBr Silicon monobromide sibr  
509 SiBr+ Silicon monobromide cation sibr+  
510 NCl- nitrogen monochloride anion ncl-  
511 NCl+ nitrogen monochloride cation ncl+  
512 PF phosphorus monofluoride pf  
513 PF- phosphorus monofluoride anion pf-  
514 PF+ phosphorus monofluoride cation pf+  
515 PCl phosphorus chloride pcl  
516 PCl- phosphorus monochloride anion pcl-  
517 PCl+ phosphorus monochloride cation pcl+  
518 AsF Arsenic monofluoride asf  
519 NBr nitrogen monobromide nbr  
520 AsCl Arsenic monochloride ascl  
521 PBr Phosphorus monobromide pbr  
522 SbF Antimony monofluoride sbf  
523 SbCl Antimony monochloride sbcl  
524 ClO- chlorine monoxide anion clo-  
525 ClO+ chlorine monoxide cation clo+  
526 SF- sulfur monofluoride anion sf-  
527 SCl- sulfur monochloride anion scl-  
528 BrO Bromine monoxide bro  
529 BrO- Bromine monoxide anion bro-  
530 BrO+ Bromine monoxide cation bro+  
531 SeF Selenium monofluoride sef  
532 SBr+ Sulfur monobromide cation sbr+  
533 SeCl Selenium monochloride secl  
534 IO Iodine monoxide io  
535 SeBr Selenium monobromide sebr  
536 BrCl Bromine monochloride brcl  
537 ClF- clorine monofluoride anion clf-  
538 ClF+ clorine monofluoride cation clf+  
539 BrF Bromine monofluoride brf  
540 BrF- bromine fluoride anion brf-  
541 BrF+ bromine fluoride cation brf+  
542 BrCl- bromine chloride anion brcl-  
543 BrCl+ bromine chloride cation brcl+  
544 IF Iodine monofluoride if  
545 Br2 Bromine diatomic br2  
546 Br2- bromine diatomic anion br2-  
547 Br2+ bromine diatomic cation br2+  
548 ICl Iodine monochloride icl  
549 IBr Iodine monobromide ibr  
550 I2 Iodine diatomic i2  
551 I2+ Iodine diatomic cation i2+  
552 HCCl Chloromethylene hccl  
553 HSiF fluorosilylene hsif  
554 HSiCl Chlorosilylene hsicl  
555 HSiBr monobromosilylene hsibr  
556 CHBr bromomethylene chbr  
557 DOCl Hypochlorous acid-d docl  
558 HOCl hypochlorous acid hocl  
559 HOCl+ hypochlorous acid cation hocl+  
560 HOBr Hypobromous acid hobr  
561 HOBr+ Hypobromous acid cation hobr+  
562 HOI Hypoiodous acid hoi  
563 F2H+ Fluorine, protonated f2h+  
564 FHF Hydrogen difluoride fhf  
565 FHF- Hydrogen difluoride anion fhf-  
566 ClFH+ Chlorine fluoride, F-protonated clfh+  
567 FClH+ Chlorine fluoride, Cl-protonated fclh+  
568 Cl2H+ Chlorine, protonated cl2h+  
569 CH2Br bromomethyl radical ch2br  
570 CH2F fluoromethyl radical ch2f  
571 CH2F+ fluoromethyl cation ch2f+  
572 CH2Cl+ chloromethyl cation ch2cl+  
573 NH2Cl chloramine nh2cl  
574 H2F2 Hydrogen fluoride dimer h2f2  
575 CH3F+ methyl fluoride cation ch3f+  
576 CD3F methylfluoride-d3 cd3f  
577 CD3Cl methyl chloride d3 cd3cl  
578 CH3Cl+ Methyl chloride cation ch3cl+  
579 SiH3F monofluorosilane sih3f  
580 CH3Br methyl bromide ch3br  
581 GeH3F monofluorogermane geh3f  
582 GeH3Cl monochlorogermane geh3cl  
583 SiH3Br bromosilane sih3br  
584 CH3I methyl iodide ch3i  
585 SiH3I Silyl Iodide sih3i  
586 NH3Cl+ protonated monochloroammonia nh3cl+  
587 CH3ClH+ methyl chloride, protonated ch3clh+  
588 NH4Cl Ammonium chloride nh4cl  
589 LiNe+ Lithium Neon cation line+  
590 Ne2 Neon diatomic ne2  
591 Ne2+ Neon diatomic cation ne2+  
592 Ar2 Argon diatomic ar2  
593 Ar2+ Argon diatomic cation ar2+  
594 Li3 Lithium trimer li3  
595 Li3+ Lithium trimer cation li3+  
596 SiC2 Silicon dicarbide sic2  
597 C3H3 cyclopropenyl radical cpr  
598 C3H3- Propargyl anion c3h3-  
599 C3H5 Allyl radical allyl  
600 C3H5+ Allyl cation allyl+  
601 CH3CHCH 1-propenyl radical ch3chch  
602 Zn(CH3)2 dimethyl zinc dmz  
603 C3H7+ cyclopropane, protonated c3h7+  
604 CH3CHCH3 Isopropyl radical isopropyl  
605 CH3CHCH3+ Isopropyl cation prop2yl+  
606 SiH2(CH3)2 dimethylsilane dms  
607 LiCN lithium cyanide licn  
608 NaCN Sodium Cyanide nacn  
609 KCN Potassium cyanide kcn  
610 CuCN Copper cyanide cucn  
611 ZnCN Zinc monocyanide zncn  
612 ZnNC Zinc isocyanide znnc  
613 AlCN Aluminum monocyanide alcn  
614 AlNC Aluminum isocyanide alnc  
615 CN2 3H-Diazirin-3-ylidene cn2  
616 CNN Diazocarbene cnn  
617 NCN Cyanoimidogen ncn  
618 N3- azide anion n3-  
619 N3+ azide cation n3+  
620 HCCN cyanomethylene hccn  
621 HCNN diazomethyl radical hcnn  
622 HN3+ Hydrazoic acid cation hn3+  
623 HNCNH diiminomethane hncnh  
624 CH2N2 diazirine ch2n2  
625 HNNNH+ 1,2-Triazadienium n2h3+  
626 NH2NN+ hydrazoic acid, protonated nh2nn+  
627 CH3CN- acetonitrile anion ch3cn-  
628 CHNCH2 2H-Azirine c157164  
629 CHNHCH 1H-Azirine chnhch  
630 H2CCNH Ethenimine ch2cnh  
631 H2CNCH methyleneaminomethylene ch2nch  
632 HCCNH2 Ethynamine hccnh2  
633 HCNCH2+ 2H-Azirine cation hcnch2+  
634 HNCNH2+ diiminomethane, protonated hncnh2+  
635 NCNH3+ Cyanamide, protonated ncnh3+  
636 NH2CNH+ cyanamide, cn protonated nh2cnh+  
637 NH3CN+ cyanamide, amine protonated nh3cn+  
638 CH2CHNH vinylazine ch2chnh  
639 CH3CHN methylmethaniminyl radical ch3chn  
640 CH2CHNH2 aminoethene aminoethene  
641 CH3CHNH ethanimine ethanimine  
642 NH2BHNH2 diaminoborane nh2bhnh2  
643 C2H5NH+ Protonated Aziridine c2h5nh+  
644 C2H6N+ aziridine, protonated c2h6n+  
645 NH2CH2NH2 diaminomethane nh2ch2nh2  
646 CH3PHCH3 dimethylphosphine ch3phch3  
647 NH2CH2NH3+ diaminoethane, protonated pdam  
648 (CH3)2NH2+ dimethylammonium cation dmam  
649 CH3CH2NH3+ ethylamine, protonated pea  
650 Li2O dilithium oxide li2o  
651 Li2O+ dilithium oxide cation li2o+  
652 Na2O disodium monoxide na2o  
653 Na2S Sodium sulfide na2s  
654 LiO2 Lithium dioxide lio2  
655 NaO2 Sodium superoxide nao2  
656 CCO Dicarbon monoxide cco  
657 CNO- fulminate cno-  
658 SCN thiocyanato radical scn  
659 SCN- thiocyanide anion scn-  
660 BO2+ Boron dioxide cation bo2+  
661 N2O- Nitrous oxide anion n2o-  
662 PPO Phosphorus oxide phosphide ppo  
663 OCS+ Carbonyl sulfide cation cos+  
664 SiO2 silicon dioxide sio2  
665 CS2- Carbon disulfide anion cs2-  
666 CS2+ Carbon disulfide cation cs2+  
667 TiO2 Titanium dioxide tio2  
668 GeO2 Germanium dioxide geo2  
669 OCSe Carbonyl selenide ocse  
670 SCSe Carbon sulfide selenide scse  
671 GeS2 Germanium disulfide ges2  
672 CSe2 Carbon diselenide cse2  
673 SCTe Carbon sulfide Telluride scte  
674 PO2 Phosphorus dioxide po2  
675 PO2- Phosphorus dioxide anion po2-  
676 PO2+ Phosphorus dioxide cation po2+  
677 AsO2 Aresenic dioxide aso2  
678 SO2- Sulfur dioxide anion so2-  
679 SO2+ Sulfur dioxide cation so2+  
680 SSO Disulfur monoxide sso  
681 S3- Sulfur trimer anion s3-  
682 SeO2 Selenium dioxide seo2  
683 SeO2+ Selenium dioxide cation seo2+  
684 TeO2 Tellurium Dioxide teo2  
685 CS2H+ Carbon disulfide, protonated cs2h+  
686 HNCS Isothiocyanic acid hncs  
687 HSCN thiocyanic acid hscn  
688 HCO2- formate anion hco2-  
689 HNNO nitrosoazane hnno  
690 HNNO+ Nitrous oxide, N-protonated hnno+  
691 NNOH+ Nitrous Oxide, O-protonated nnoh+  
692 HCOO formate neutral radical hcoo  
693 O3H+ protonated ozone o3h+  
694 SO2H+ protonated sulfur dioxide so2h+  
695 C2H2O Oxirene oxirene  
696 Be(OH)2 Beryllium hydroxide beo2h2  
697 Mg(OH)2 Magnesium dihydroxide h2mgo2  
698 NH2NO Nitrosamide nh2no  
699 H2COO Dioxymethyl radical h2coo  
700 H2COO+ dioxymethyl cation h2coo+  
701 H2O3 Hydrogen trioxide h2o3  
702 NaOCH3 Sodium methoxide naoch3  
703 CH2BOH hydroxy(methylene)borane ch2boh  
704 BH3CO Borane carbonyl bh3co  
705 CH3BO Borane, methyloxo- ch3bo  
706 CH2CHO Vinyloxy radical ch2cho  
707 CH2COH+ ketene, protonated ch2coh+  
708 CH3CO- Acetyl anion ch3co-  
709 CH3CO+ acetyl cation ch3co+  
710 CH2NOH formaldoxime ch2noh  
711 CH3NO nitrosomethane ch3no  
712 CNOH3 1,2-oxaziridine cnoh3  
713 HOCHNH hydroxymethylimine hochnh  
714 CHSNH2 thioformamide chsnh2  
715 NHCHSH Methanimidothioic acid nhchsh  
716 CH2OOH CH2OOH radical ch2ooh  
717 CH3OO methylperoxy radical ch3oo  
718 CH3OO- methylperoxy anion ch3oo-  
719 CH3OO+ methylperoxy cation ch3oo+  
720 C2H4O+ ethylene oxide cation c2h4o+  
721 CH3CHO+ acetaldehyde cation ch3cho+  
722 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
723 CH2CHSH Ethenethiol ch2chsh  
724 H2CONH2+ protonated formamide h2conh2+  
725 NH2CHOH+ Formamide, O-protonated nh2choh+  
726 NH3CHO+ Formamide, N-Protonated nh3cho+  
727 CH2(OH)2 methanediol ch2o2h2  
728 HSCH2SH Methanedithiol ch4s2  
729 C2H4OH+ ethylene oxide, protonated c2h4oh+  
730 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
731 CH3CH2O Ethoxy radical ethoxy  
732 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
733 CH3CHOH+ acetaldehyde, protonated ch3choh+  
734 CH3OCH2 methoxymethyl radical ch3och2  
735 NH2CH2OH aminomethanol nh2ch2oh  
736 CH3SCH3 Dimethyl sulfide mesme  
737 CH3SCH3+ dimethyl sulfide cation mesme+  
738 CH3SeCH3 dimethylselenide dmse  
739 H2OCH3OH water methanol dimer h2och3oh  
740 CuF2 Copper difluoride cuf2  
741 ZnF2 Zinc difluoride znf2  
742 CNF iso cyanogen fluoride cnf  
743 ClCN chlorocyanogen clcn  
744 BrCN Cyanogen bromide brcn  
745 ICN Cyanogen iodide icn  
746 FBO Boron monofluoride monoxide fbo  
747 BeF2 Beryllium fluoride bef2  
748 MgF2 Magnesium fluoride mgf2  
749 BeCl2 Beryllium chloride becl2  
750 MgCl2 Magnesium dichloride mgcl2  
751 CaCl2 Calcium Chloride cacl2  
752 ZnCl2 Zinc dichloride zncl2  
753 BeBr2 Beryllium bromide bebr2  
754 CaBr2 Calcium dibromide cabr2  
755 CaF2 Calcium difluoride caf2  
756 FCO Carbonyl fluoride fco  
757 FCO+ Carbonyl fluoride cation fco+  
758 ClCO carbonyl monochloride clco  
759 BF2 Boron difluoride radical bf2  
760 ClNO Nitrosyl chloride clno  
761 BrNO Nitrosyl bromide brno  
762 INO Nitrosyl iodide ino  
763 CFCl chlorofluoromethylene cfcl  
764 SiF2 Silicon difluoride sif2  
765 SiF2+ Silicon difluoride cation sif2+  
766 CCl2 dichloromethylene ccl2  
767 CCl2- dichloromethylene anion ccl2-  
768 CCl2+ dichloromethylene cation ccl2+  
769 SiCl2 Dichlorosilylene sicl2  
770 GeF2 Germanium difluoride gef2  
771 CBr2 dibromomethylene cbr2  
772 FOO+ Fluorine dioxide cation foo+  
773 ClOO chloroperoxy radical cloo  
774 ClOO+ chloroperoxy cation cloo+  
775 OClO- Chlorine dioxide anion oclo-  
776 OClO+ Chlorine dioxide cation oclo+  
777 ClS2 Sulfur chloride cls2  
778 BrOO Bromine dioxide broo  
779 OBrO Bromine dioxide radical obro  
780 PF2 Phosphorus difluoride pf2  
781 PF2+ Phosphorus difluoride cation pf2+  
782 SF2- sulfur difluoride anion sf2-  
783 SF2+ sulfur difluoride cation sf2+  
784 Cl2O Dichlorine monoxide cl2o  
785 SeF2 Selenium difluoride sef2  
786 BrOCl Bromine hypochlorite brocl  
787 BrOBr Bromine oxide brobr  
788 F3- trifluoride anion f3-  
789 Cl3- trichloride anion cl3-  
790 Br3- tribromide anion br3-  
791 I3- triiodide i3-  
792 SFCl Sulfur chloride fluoride sfcl  
793 HCCF+ fluoroacetylene cation hccf+  
794 HCCCl Chloroacetylene hcccl  
795 HCCBr bromoacetylene hccbr  
796 HFCO+ formyl fluoride cation hfco+  
797 COHCl Formyl chloride cohcl  
798 COHBr Formyl bromide cohbr  
799 BHCl2 Borane, dichloro- bhcl2  
800 CHCl2 dichloromethyl radical chcl2  
801 CHF2 difluoromethyl radical chf2  
802 CHF2+ difluoromethyl cation chf2+  
803 CHFCl Chlorofluoromethyl radical chfcl  
804 CHFCl+ Chlorofluoromethyl cation chfcl+  
805 CHCl2+ dichloromethyl cation chcl2+  
806 CHBr2 dibromomethyl radical chbr2  
807 HOClO Chlorous acid hoclo  
808 NHF2 difluoramine nhf2  
809 NHCl2 dichloroamine nhcl2  
810 CH2FCl fluorochloromethane ch2fcl  
811 SiH2F2 difluorosilane sih2f2  
812 CH2BrF Methane, bromofluoro- ch2fbr  
813 CH2BrCl Methane, bromochloro- ch2clbr  
814 CH2FI fluoroiodomethane ch2fi  
815 CH2Br2 dibromomethane ch2br2  
816 CH2ClI chloroiodomethane ch2cli  
817 CH2BrI bromoiodomethane ch2bri  
818 CH2I2 Diiodomethane ch2i2  
819 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
820 CH2CHF+ fluoroethene cation ch2chf+  
821 C2H3Cl Ethene, chloro- ch2chcl  
822 C2H3Br vinyl bromide c2h3br  
823 C2H3I Vinyl iodide c2h3i  
824 CH2FOH fluoromethanol ch2foh  
825 CH3OCl methyl hypochlorite ch3ocl  
826 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
827 CHClCH3 1-chloroethyl radical chclch3  
828 CH3CH2Cl Ethyl chloride c2h5cl  
829 CH3SiFH2 fluoromethylsilane ch3sifh2  
830 C2H5Br Ethyl bromide etbr  
831 C2H5I Ethyl iodide c2h5i  
832 KrF2 Krypton difluoride krf2  
833 XeF2 Xenon difluoride xef2  
834 B4H10 Tetraborane(10) b4h10  
835 C4H2+ diacetlyene cation c4h2+  
836 C4H4 cyclobutadiene cbd  
837 C4H4 Tetrahedrane c4h4  
838 CHCCH2CH3 1-Butyne c107006  
839 CH3CHCHCH2 methylallyl radical c4h7  
840 C4H8 methylcyclopropane mcp  
841 B(CH3)3 trimethylborane bme3  
842 Al(CH3)3 trimethyl aluminum tma  
843 SiH(CH3)3 trimethylsilane trimsi  
844 Li3N trilithium nitride li3n  
845 P4 Phosphorus tetramer p4  
846 As4 Arsenic tetramer as4  
847 HCCCN Cyanoacetylene hcccn  
848 H2CNCN cyanamide, methylene ch2ncn  
849 HNCCNH Ethenediimine hnccnh  
850 C3H3N+ acrylonitrile cation ch2chcn+  
851 CH3N3 methyl azide ch3n3  
852 NH2CCNH2 Diaminoacetylene daa  
853 NH2CH2CN Aminoacetonitrile aan  
854 CH3NHN2+ methyl azide, protonated ch3nhn2+  
855 C2H5CN ethyl cyanide c2h5cn  
856 CH5N3 Guanidine guanidine  
857 C4H6 Bicyclo[1.1.0]butane c157335  
858 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
859 H2NCHCHNH2 diaminoethylene dae  
860 CH6N3+ guanidinium ch6n3+  
861 CH7N3 triaminomethane tam  
862 C3H7N Azetidine azet  
863 NH2CH2CH2CH3 1-Propanamine pram1  
864 P(CH3)3 trimethylphosphine tmp  
865 N(SiH3)3 trisilylamine tsa  
866 As(CH3)3 trimethyl arsine tmas  
867 (CH3)3NH+ protonated trimethyl amine ptma  
868 C3H7NH3+ n-propylamine, protonated c3h7nh2  
869 Li2O2 dilithium dioxide li2o2  
870 Na2O2 disodium dioxide na2o2  
871 K2O2 dipotassium dioxide k2o2  
872 C3O Tricarbon monoxide c3o  
873 CO3 Carbon trioxide co3  
874 CO3-- carbonate co3--  
875 NO3- nitrate anion no3-  
876 SO3- Sulfur trioxide anion so3-  
877 SO3-- Sulfate dianion so3--  
878 SO3+ Sulfur trioxide cation so3+  
879 SeO3 selenium trioxide seo3  
880 TeO3 Tellurium trioxide teo3  
881 HCO3- bicarbonate anion hco3-  
882 HSO3 Hydroxysulfonyl radical hso3  
883 NH2NO2 nitramide nh2no2  
884 C2H2CO cyclopropenone c2h2co  
885 C3H2O Propadienal c3h2o  
886 HCCCHO 2-propynal hcccho  
887 C2H2O2+ Ethanedial cation c2h2o2+  
888 H2CO3 Carbonic acid h2co3  
889 H2CS3 thiocarbonic acid h2cs3  
890 H2NO3+ Nitric Acid, Protonated h2no3+  
891 H2SO3 Sulfurous acid h2so3  
892 C2H3NO Nitrosoethylene c2h3no  
893 CH3NCO methylisocyante ch3nco  
894 HOCH2CN cyanomethanol hoch2cn  
895 CH3COO- acetate anion ch3coo-  
896 NH2COOH Carbamic acid nh2cooh  
897 H3CO3+ carbonic acid, protonated h3co3+  
898 C3H4O allenol c9000071  
899 NH2CONH2+ Urea cation urea+  
900 NH2CSNH2 Thiourea thiourea  
901 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
902 NH3COOH+ protonated Carbamic acid nh3cooh+  
903 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
904 CH3COCH2 Acetonyl radical ch3coch2  
905 CH2C(OH)NH2 1-amino vinyl alchohol ava  
906 CH3C(OH)=NH Ethaninidic acid eia  
907 HCONHCH3 N-methylformamide nmfa  
908 CH5N2O+ urea, N-protonated ch4n2o+  
909 H2NCOHNH2+ urea, protonated ureah+  
910 C2H5OO ethylperoxy radical c2h5oo  
911 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
912 C3H5OH Cyclopropanol cproh  
913 C3H6O 2-Propen-1-ol c107186  
914 C3H6O Acetone enol enol  
915 C3H6O Oxetane oxetane  
916 CH3COCH3- acetone anion ch3coch3-  
917 C3H6S Thietane thietane  
918 C3H6S Thiirane, methyl- methiirane  
919 CH3CSCH3 Thioacetone ch3csch3  
920 CH3SOCH3 Dimethyl sulfoxide dmso  
921 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
922 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
923 CH3COHCH3+ acetone, protonated acetoneh+  
924 HOCH2CH2NH2 monoethanolamine mea  
925 CH3OC2H5 Ethane, methoxy- etome  
926 C3H7SH 1-Propanethiol prsh  
927 CH3CHSHCH3 2-Propanethiol isoprsh  
928 CH3SCH2CH3 Ethane, (methylthio)- etsme  
929 H2OCH3OCH3 water dimethylether dimer h2och3och3  
930 Li2F2 Lithium fluoride dimer li2f2  
931 Na2F2 Sodium Fluoride Dimer na2f2  
932 Na2Cl2 Disodium dichloride na2cl2  
933 C2Cl2 dichloroacetylene c2cl2  
934 C2Cl2+ dichloroacetylene cation c2cl2+  
935 FNO2 Nitryl fluoride fno2  
936 FONO Nitrosyl hypofluorite fono  
937 ClNO2 Nitryl chloride clno2  
938 ClONO chlorine nitrite clono  
939 BrONO Bromine nitrite brono  
940 CF2O+ Carbonic difluoride cation f2co+  
941 COFCl Carbonic chloride fluoride cofcl  
942 CCl2O Phosgene cl2co  
943 COBr2 Carbonic dibromide cobr2  
944 BClF2 Chlorodifluoroborane bclf2  
945 AlF2Cl Aluminum chloride difluoride alclf2  
946 ScF3 Scandium trifluoride ScF3  
947 AlFCl2 Aluminum dichloride fluoride alcl2f  
948 BCl3 Borane, trichloro- bcl3  
949 BCl3+ Boron Trichloride cation bcl3+  
950 GaF3 Gallium trifluoride gaf3  
951 AlCl3 Aluminum trichloride alcl3  
952 GaCl3 Gallium trichloride gacl3  
953 BBr3 Boron tribromide bbr3  
954 AlBr3 Aluminum Bromide albr3  
955 ClO3 Chlorine trioxide clo3  
956 ClO3- chlorate anion clo3-  
957 BrO3- Bromate anion bro3-  
958 CF2Cl difluorochloromethyl radical cf2cl  
959 SiF3 Silicon trifluoride radical sif3  
960 SiF3+ Silicon trifluoride cation sif3+  
961 CFCl2 dichlorofluoromethyl radical cfcl2  
962 CCl3 Trichloromethyl radical ccl3  
963 CCl3- Trichloromethyl anion ccl3-  
964 CCl3+ Trichloromethyl cation ccl3+  
965 SiCl3 trichlorosilyl radical sicl3  
966 SiCl3+ trichlorosilyl cation sicl3+  
967 CBr3 tribromomethyl radical cbr3  
968 FOOF Perfluoroperoxide foof  
969 ClOOCl Dichlorine dioxide cloocl  
970 SOCl2 thionyl chloride socl2  
971 SeOCl2 selenium oxychloride seocl2  
972 PF3 Phosphorus trifluoride pf3  
973 NCl3 nitrogen trichloride ncl3  
974 AsF3 Arsenic trifluoride asf3  
975 PCl3 Phosphorus trichloride pcl3  
976 SbF3 Antimony Trifluoride sbf3  
977 AsCl3 Arsenous trichloride ascl3  
978 SbCl3 Antimony Trichloride sbcl3  
979 NBr3 Nitrogen Tribromide nbr3  
980 PBr3 Phosphorus tribromide pbr3  
981 AsBr3 Arsenic tribromide asbr3  
982 NI3 Nitrogen triiodide ni3  
983 PI3 Phosphorus triiodide pi3  
984 ClSSCl Disulfur dichloride s2cl2  
985 BrF3 Bromine trifluoride brf3  
986 IF3 iodone trifluoride if3  
987 CHF2Cl difluorochloromethane chf2cl  
988 SiHF3 trifluorosilane sihf3  
989 CHFCl2 fluorodichloromethane chfcl2  
990 CDCl3 trichloromethane-d cdcl3  
991 CHCl3 Chloroform chcl3  
992 CHBrF2 Methane, bromodifluoro- chbrf2  
993 SiHCl3 Trichlorosilane sihcl3  
994 CHFClBr fluorochlorobromomethane chfclbr  
995 CHBrCl2 Methane, bromodichloro- chbrcl2  
996 CHF2I difluoroiodomethane chf2i  
997 CHBr2F dibromofluoromethane chbr2f  
998 CHFClI fluorochloroiodomethane chfcli  
999 CHCl2I dichloroiodomethane chcl2i  
1000 CHClBr2 Methane, dibromochloro- chclbr2  
1001 CHBr3 bromoform chbr3  
1002 CHI3 Iodoform chi3  
1003 NF3H+ protonated nitrogen trifluoride nf3h+  
1004 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1005 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1006 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1007 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1008 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1009 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1010 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1011 C2H2Br2 1,1-dibromoethene c2h2br2  
1012 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1013 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1014 CH2FCHO Fluoroacetaldehyde ch2fcho  
1015 CH2ClCHO chloroacetaldehyde ch2clcho  
1016 CH3COCl Acetyl Chloride ch3cocl  
1017 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1018 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1019 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1020 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1021 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1022 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1023 CH2CFCH3 2-fluoropropene 2fpro  
1024 CH2CHCH2F Allyl Fluoride allylf  
1025 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1026 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1027 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1028 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1029 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1030 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1031 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1032 CH2FCH2CH3 1-Fluoropropane prf1  
1033 CH3CHFCH3 2-Fluoropropane prf2  
1034 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1035 CH3CHClCH3 Propane, 2-chloro- prcl2  
1036 CH3CH2CH2Br n-propyl bromide prbr  
1037 CH3CHBrCH3 i-propyl bromide iprbr  
1038 C3H9O+ trimethyl oxonium cation c3h9o+  
1039 B5H9 pentaborane9 b5h9  
1040 C5H4 pentatetraene ptrene  
1041 C5H5 cyclopentadienyl radical c5h5  
1042 C5H6 Propellane propellane  
1043 C5H7 1,3-pentadienyl radical pdyl  
1044 C5H7 cyclopentenyl radical cpyl  
1045 C5H8 1-pentyne a1pentyne  
1046 C5H8 Bicyclo[1.1.1]pentane bcp  
1047 C5H8 Ethenylcyclopropane c693867  
1048 CH3CCCH2CH3 2-Pentyne 2pentyne  
1049 CH2CHCH2CH2CH3 1-pentene pentene  
1050 Si(CH3)4 tetramethylsilane tms  
1051 CH2N4 1H-Tetrazole 1htz  
1052 C3H3N2 imidazolyl radical im  
1053 C3H3N2- imidizolyl anion im-  
1054 C2H3N3 1H-1,2,4-Triazole c288880  
1055 C4H4N pyrrolide radical c4h4n  
1056 C4H4N- pyrrolide anion c4h4n-  
1057 C3H4N2 2H-Imidazole imid2h  
1058 C3H4N2 4H-Imidazole imid4h  
1059 C4H5N 2H-pyrrole pyrrole2  
1060 C4H5N 3H-pyrrole pyrrole3  
1061 CH2CHCH2CN Allylcyanide ch2chch2cn  
1062 C4H6N+ pyrrole, alpha-protonated appyr  
1063 C4H6N+ pyrrole, beta-protonated bppyr  
1064 C4H6N+ pyrrole, protonated ppyr  
1065 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1066 CH3CH2CH2CN Butanenitrile c109740  
1067 NH(C2H5)2 diethylamine dea  
1068 NC4H12+ tetramethyl ammonium cation nc4h12+  
1069 B2O3 diboron trioxide b2o3  
1070 MgCO3 Magnesium Carbonate mgco3  
1071 BeCO3 Beryllium Carbonate beco3  
1072 CaCO3 Calcium Carbonate caco3  
1073 ONONO Nitrosyl nitrite onono  
1074 PO4--- phosphate po4---  
1075 SO4-- sulfate so4--  
1076 HOONO2 peroxy nitric acid hoono2  
1077 HSO4- bisulfate anion hso4-  
1078 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1079 C3H2O2 Propiolic acid c3h2o2  
1080 CHOCOOH oxo acetic acid oaa  
1081 CHOOCHO diformyl ether choocho  
1082 H2SeO4 Selenic acid h2seo4  
1083 C3H3NO Oxazole oxazole  
1084 C3H3NS Thiazole thiazole  
1085 CH3C(O)OO acetyl peroxy radical ch3coo2  
1086 H3PO4 Phosphoric Acid h3po4  
1087 C4H4O+ Furan cation furan+  
1088 CH3COCCH 3-butyn-2-one c1423605  
1089 C4H4S Thiophene furans  
1090 C4H4Se selenophene c4h4se  
1091 C3H4O2 Methyl glyoxal megly  
1092 C3H4O2 propanedial propanedial  
1093 C3H4O2 propenalol propenalol  
1094 HOCHCCHOH allenediol aldiol  
1095 C2H4O3 1,2,3-trioxolane c2h4o3  
1096 C2H4O3 trioxolane124 triox  
1097 HOCH2COOH Hydroxyacetic acid hac  
1098 CH5N3S Hydrazinecarbothioamide c79196  
1099 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1100 C4H6O cis-2-butenal butenal2c  
1101 C4H6O Furan, 2,5-dihydro- furan25h  
1102 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1103 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1104 CH2CHSCHCH2 Divinyl sulfide divis  
1105 CH3CH2COOH Propanoic Acid propanoic  
1106 HCOOC2H5 Ethyl formate faee  
1107 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1108 C4H8O Furan, tetrahydro- thf  
1109 C4H8S Thiophene, tetrahydro- tht  
1110 C3H8S2 1,3-Propanedithiol c109808  
1111 C4H10O 1-Butanol butanol1  
1112 C4H10O Methyl propyl ether meopr  
1113 C4H10O+ 1-Butanol cation butanol1+  
1114 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1115 C2H5SC2H5 Diethyl sulfide etset  
1116 C4H9SH 1-Butanethiol bush  
1117 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1118 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1119 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1120 ClONO2 Chlorine nitrate clono2  
1121 BrONO2 Bromine nitrate brono2  
1122 TiCl4 Titanium tetrachloride ticl4  
1123 ClO4- perchlorate anion clo4-  
1124 BF4- tetrafluoroboron anion bf4-  
1125 ClFO3 Perchloryl fluoride clfo3  
1126 SO2F2 Sulfuryl fluoride so2f2  
1127 SO2Cl2 Sulfuryl chloride so2cl2  
1128 F3PO Phosphoryl fluoride pf3o  
1129 Cl3PO Phosphoryl chloride pcl3o  
1130 CF3Cl Methane, chlorotrifluoro- cf3cl  
1131 SiF4 Silicon tetrafluoride sif4  
1132 TiF4 Titanium tetrafluoride tif4  
1133 CFCl3 Trichloromonofluoromethane cfcl3  
1134 CF3Br Bromotrifluoromethane cf3br  
1135 GeF4 Germanium tetrafluoride gef4  
1136 CCl4 Carbon tetrachloride ccl4  
1137 CCl4+ Carbon tetrachloride cation ccl4+  
1138 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1139 SiCl4 Silane, tetrachloro- sicl4  
1140 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1141 CF3I trifluoroiodomethane cf3i  
1142 CBrCl3 Methane, bromotrichloro- cbrcl3  
1143 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1144 GeCl4 Germanium Tetrachloride gecl4  
1145 CBr2ClF dibromochlorofluoromethane cbr2clf  
1146 CBr2Cl2 dibromodichloromethane cbr2cl2  
1147 CCl3I trichloroiodomethane ccl3i  
1148 CFBr3 fluorotribromomethane cfbr3  
1149 CFClBrI fluorochlorobromoiodomethane cfclbri  
1150 CBr3Cl tribromochloromethane cbr3cl  
1151 CF2I2 difluorodiiodomethane cf2i2  
1152 CBr4 Carbon tetrabromide cbr4  
1153 CCl2I2 dichlorodiiodomethane ccl2i2  
1154 SiBr4 Silicon tetrabromide sibr4  
1155 CBr3I tribromoiododmethane cbr3i  
1156 GeBr4 Germanium tetrabromide gebr4  
1157 CI4 tetraiodomethane ci4  
1158 SiI4 silicon tetraiodide sii4  
1159 ClOF3 Chlorine trifluoride oxide clof3  
1160 SeF4 Selenium tetrafluoride sef4  
1161 SCl4 Sulfur tetrachloride scl4  
1162 CHClCCl2 Trichloroethylene chclccl2  
1163 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1164 HSO3F Fluorosulfonic acid hso3f  
1165 CF3OH trifluoromethanol cf3oh  
1166 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1167 CHClCCHCl 1,3-dichloroallene chclcchcl  
1168 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1169 CHCl2CHO dichloroacetaldehyde chcl2cho  
1170 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1171 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1172 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1173 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1174 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1175 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1176 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1177 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1178 NH3BCl3 Amminetrichloroboron nh3bcl3  
1179 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1180 C3H5ClO Oxirane, (chloromethyl)- c106898  
1181 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1182 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1183 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1184 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1185 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1186 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1187 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1188 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1189 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1190 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1191 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1192 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1193 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1194 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1195 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1196 C4H9F 1-fluorobutane butaf1  
1197 CH3CHFCH2CH3 2-fluorobutane butaf2  
1198 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1199 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1200 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1201 XeF4 Xenon tetrafluoride xef4  
1202 C2H2N2O Furazan furazan  
1203 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1204 NH3BF3 Amminetrifluoroboron nh3bf3  
1205 C6H2 hexatriyne c6h2  
1206 C6H5- phenyl anion phenyl-  
1207 C6H6 Prismane prismane  
1208 C6H6 1,2,4,5-Hexatetraene ht1245  
1209 C6H6 3,4-Dimethylenecyclobutene cb34m  
1210 C6H6 Benzvalene bv  
1211 C6H6 Dewar Benzene dewar  
1212 C6H6 Hexa-1,5-diene-3-yne hdy153  
1213 C6H6 Trimethylenecycopropane tmcp  
1214 C6H6+ Benzene cation c6h6+  
1215 C6H7+ benzene, protonated c6h7+  
1216 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1217 C6H10 1,5-Hexadiene c592427  
1218 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1219 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1220 C6H12 (E)-2-Hexene e2hexene  
1221 C6H12 (E)-hex-3-ene e3hexene  
1222 C6H12 (Z)-hex-2-ene z2hexene  
1223 C6H12 (Z)-hex-3-ene z3hexene  
1224 C6H12 2,3-dimethylbut-1-ene c563780  
1225 C6H12 2,3-dimethyl-but-2-ene tmeet  
1226 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1227 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1228 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1229 C4H2N2 Fumaronitrile c4h2n2  
1230 C5H5N E-2,4-pentadienenitrile bdcn  
1231 C6H6 Fulvene fulvene  
1232 C5H6N+ Pyridinium c5h6n  
1233 C6H10 Bicyclo[3.1.0]hexane c285585  
1234 Li2CO3 Lithium Carbonate li2co3  
1235 Na2CO3 Sodium Carbonate na2co3  
1236 MgSO4 Magnesium Sulfate mgso4  
1237 C3H2O3 vinylene carbonate vica  
1238 C2H2O4 Oxalic Acid oxalic  
1239 C4H4O2 2(5H)-Furanone furanone  
1240 C2H4N2S2 Ethanedithioamide c79403  
1241 C2H4CO3 Ethylene carbonate etco3  
1242 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1243 C3H4S3 1,3-Dithiolane-2-thione c822388  
1244 C2H4O4 Formic acid dimer fadimer  
1245 C4H5NS 4-Methylthiazole c693958  
1246 C2H5NO3 Nitric acid, ethyl ester c625581  
1247 C5H6O 2H-Pyran pyran2  
1248 C5H6O 2-methylfuran furan2m  
1249 C5H6O 3-Methylfuran furan3m  
1250 C5H6O Pentadienal pdal  
1251 C5H6S Thiophene, 2-methyl- c554143  
1252 C5H6S Thiophene, 3-methyl- c616444  
1253 C4H6O2 Crotonic Acid crot  
1254 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1255 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1256 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1257 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1258 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1259 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1260 C4H6OS Vinyl sulfoxide c1115157  
1261 CH6N4S Carbonothioic dihydrazide thiacarb  
1262 C3H6S3 1,3,5-Trithiane c3h6s3  
1263 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1264 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1265 C4H7NO Ethoxyacetonitrile etoaccn  
1266 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1267 C3H7ONO Propyl nitrite prono  
1268 C5H8O Cyclopentanone c120923  
1269 C5H8O Methyl cyclopropyl ketone c765435  
1270 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1271 C4H8O2 Ethyl acetate c141786  
1272 C4H8OS s-Ethyl thioacetate c625605  
1273 C3H8O2S (Methylsulfonyl)ethane c594434  
1274 C5H10O 2-methylbutyraldehyde 2meba  
1275 C5H10O 3-Pentanone dek  
1276 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1277 C5H10S 3-Ethylthio-1-propene c5296628  
1278 C5H10S Cyclopentanethiol c1679078  
1279 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1280 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1281 C4H10OS Diethyl sulfoxide c70291  
1282 C4H10S2 1,4-Butanedithiol budisl14  
1283 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1284 C5H12S 1-Butanethiol, 3-methyl- c541311  
1285 C5H12S 1-Pentanethiol c110667  
1286 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1287 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1288 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1289 C5H12S Butane, 1-(methylthio)- c628295  
1290 C5H12S Ethyl propyl sulfide c4110503  
1291 C5H12S Propane, 2-(ethylthio)- c5145993  
1292 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1293 C4F2 difluorobutadiyne c4f2  
1294 ClCOClCO Oxalyl chloride oxcl  
1295 CF3CN Acetonitrile, trifluoro- cf3cn  
1296 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1297 B2Cl4 Diboron tetrachloride b2cl4  
1298 C2F4+ Tetrafluoroethylene cation c2f4+  
1299 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1300 CF2CCl2 difluorodichloroethylene cf2ccl2  
1301 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1302 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1303 C2FCl3 fluorotrichloroethene c2fcl3  
1304 C2Cl4 Tetrachloroethylene c2cl4  
1305 C2Br4 tetrabromoethene c2br4  
1306 AsF5 Arsenic pentafluoride asf5  
1307 PCl5 Phosphorus pentachloride pcl5  
1308 SF5 Sulfur pentafluoride sf5  
1309 SF5+ pentafluoro sulfur cation sf5+  
1310 SbCl5 Antimony pentachloride sbcl5  
1311 BrF5 bromine pentafluoride brf5  
1312 ClF5 chlorinepentafluoride clf5  
1313 IF5 pentafluoroiodine if5  
1314 CF3CHO trifluoroacetaldehyde cf3cho  
1315 CCl3CHO trichloroacetaldehyde ccl3cho  
1316 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1317 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1318 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1319 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1320 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1321 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1322 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1323 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1324 CF3COOH trifluoroacetic acid cf3cooh  
1325 C4H3ClO Furan, 2-chloro fur2cl  
1326 C4H3ClO Furan,3-chloro fur3cl  
1327 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1328 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1329 C4H8Cl2 1,4-Dichlorobutane c110565  
1330 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1331 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1332 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1333 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1334 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1335 C5H11Cl Pentane, 1-chloro- pencl1  
1336 C4H8O2 Butanoic acid bua  
1337 C6H5CH2 benzyl radical benzyl  
1338 C7H7 cycloheptatrienyl radical c7h7  
1339 C7H7+ cycloheptatrienyl cation c7h7+  
1340 C7H8 cycloheptatriene cht  
1341 C7H8 Norbornadiene norbor  
1342 C7H8 Quadricyclane qucy  
1343 C7H14 cycloheptane c7h14  
1344 CH(CN)3 tricyanomethane mecn3  
1345 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1346 C6H7N 2-Methylpyridine mp  
1347 C6H13N 2-Methylpiperidine pip2m  
1348 C6H13N cyclohexanamine cham  
1349 C6H15N triethylamine tea  
1350 N2O5 Dinitrogen pentoxide n2o5  
1351 C4H2O3 Maleic Anhydride malan  
1352 C6H5O phenoxy radical phenoxy  
1353 C6H6O 2,4-Cyclohexadienone c24599573  
1354 C6H6O 2,5-Cyclohexadienone c5664335  
1355 C6H5SH Benzenethiol phsh  
1356 HO2CCHNH2CH2OH Serine serine  
1357 C5H8O2 Acetylacetone acac  
1358 C4H8O2S Sulfolane sulfolane  
1359 C7H10 Norbornene norbornene  
1360 CH(C2H3)3 trivinyl methane tvm  
1361 C6H12O hexanal c6h12o  
1362 C6H12O Oxepane oxepane  
1363 C3H7OC3H7 di-n-propyl ether propr  
1364 F2CCCF2 tetrafluoroallene pfa  
1365 CF3COO- trifluoro acetate anion cf3coo-  
1366 CF3COF trifluoroacetyl fluoride cf3cof  
1367 CF3COCl trifluoroacetyl chloride cf3cocl  
1368 PF6 Hexafluorophosphate neutral pf6  
1369 SF6 Sulfur Hexafluoride sf6  
1370 SeF6 Selenium hexafluoride sef6  
1371 CF3CHF2 pentafluoroethane cf3chf2  
1372 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1373 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1374 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1375 CCl3CHCl2 pentachloroethane ccl3chcl2  
1376 C6H5Cl chlorobenzene bzcl  
1377 C6H5Br bromobenzene bzbr  
1378 C8H6 Calicene calicene  
1379 C8H6 benzocyclobutadiene bcbd  
1380 C8H6 Pentalene pentalene  
1381 CH3C6H4CH3 meta-xylene mxylene  
1382 CH3C6H4CH3 paraxylene pxylene  
1383 C8H14 Bicyclo[2.2.2]octane bico222  
1384 C8H16 cyclooctane cyclooct  
1385 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1386 C4O4-- squarate dianion c4o4--  
1387 S4N4 Tetrasulfur tetranitride s4n4  
1388 S8 Octasulfur s8  
1389 C4H4N2O2 Uracil uracil  
1390 C5H9NO2 Proline proline  
1391 C6H12O2 Methyl pivalate c598981  
1392 C6H12O2 Hexanoic acid hexa  
1393 C4F4 tetrafluorcyclobutadiene c4f4  
1394 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1395 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1396 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1397 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1398 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1399 C2Cl6 hexachloroethane c2cl6  
1400 IF7 Iodine heptafluoride if7  
1401 C6H4F2 metadifluorobenzene mdfb  
1402 C6H4Cl2 1,2-dichlorobenzene dcb12  
1403 C6H4Cl2 1,3-dichlorobenzene dcb13  
1404 C6H4Cl2 1,4-dichlorobenzene dcb14  
1405 C6H5NO nitrosobenzene bzno  
1406 C9H8 Indene indene  
1407 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1408 C9H12 n-propyl benzene prbz  
1409 C9H20 Nonane nonane  
1410 C(CN)4 tetracyanomethane c5n4  
1411 C5H4N4 purine purine  
1412 C8H7N Indole indole  
1413 C3H3N3O3 cyanuric acid cyanuric  
1414 CH3COC6H5 acetophenone acph  
1415 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1416 C3F6 hexafluoropropene c3f6  
1417 C6H3F3 Benzene trifluoride 123 bzf3a  
1418 C8H18O 1-Octanol octanol  
1419 C10H8 Azulene azu  
1420 C10H10 bullvalene bullv  
1421 C6N4 Tetracyanoethylene tcne  
1422 C6N4- tetracyanoethylene anion tcne-  
1423 C10H22 Decane decane  
1424 C4F6 perfluorobutadiene c4f6  
1425 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1426 C3F8 perfluoropropane c3f8  
1427 Fe(CO)5 Iron pentacarbonyl ipc  
1428 Fe(C5H5)2 ferrocene fecp2  
1429 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1430 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1431 C12H8 Acenaphthylene acenaph  
1432 C12H8 biphenylene biph  
1433 C12H10 biphenyl biphenyl  
1434 C12H10 Heptalene heptalene  
1435 C6H12O6 Inositol inositol  
1436 C6F6 hexafluorobenzene c6f6  
1437 S2F10 disulphur decafluoride s2f10  
1438 C13H10 Fluorene fluorene  
1439 C14H10 Phenanthrene phenanthrene  
1440 C14H14 Bibenzyl bibenzyl  
1441 C12H10N2 azobenzene azobenzene  
1442 C6H5COC6H5 benzophenone benzophenone  
1443 C16H10 Pyrene pyrene  
1444 C18H12 Tetracene tetracene  
1445 C19H16 Triphenylmethane tpm  
1446 C24H12 Coronene coronene  
1447 C60 Buckminsterfullerene c60