return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at B1B95 /CEP-31G

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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 HD Deuterium hydride 1ΣgD∞h
7 Li Lithium atom 2SKh
8 Na Sodium atom 2SKh
9 K Potassium atom 2SKh
10 Cu Copper atom 2SKh
11 LiH Lithium Hydride 1ΣC∞v
12 NaH sodium hydride 1ΣC∞v
13 KH Potassium hydride 1ΣC∞v
14 Be Beryllium atom 1SKh
15 Be+ Beryllium atom cation 2SKh
16 Mg Magnesium atom 1SKh
17 Mg+ Magnesium atom cation 2SKh
18 Ca Calcium atom 1SKh
19 Zn Zinc atom 1SKh
20 BeH beryllium monohydride 2ΣC∞v
21 MgH magnesium monohydride 2ΣC∞v
22 BeH2 beryllium dihydride 1ΣgD∞h
23 MgH2 magnesium dihydride 1ΣgD∞h
24 B Boron atom 2PKh
25 B Boron atom 4PKh
26 B+ Boron atom cation 1SKh
27 Al Aluminum atom 2PKh
28 Al+ Aluminum atom cation 1SKh
29 BH Boron monohydride 1ΣC∞v
30 AlH aluminum monohydride 1ΣC∞v
31 BH2 boron dihydride 2A1C2v
32 AlH2 aluminum dihydride 2A1C2v
33 BH3 boron trihydride 1A1'D3h
34 AlH3 aluminum trihydride 1A1'D3h
35 C Carbon atom 3P0Kh
36 C Carbon atom 3P1Kh
37 C+ Carbon atom cation 2PKh
38 Si Silicon atom 3PKh
39 Si Silicon atom 1SKh
40 Si+ Silicon atom cation 2PKh
41 Ti Titanium atom 3FKh
42 CH Methylidyne 2Π1/2C∞v
43 SiH Silylidyne 2ΠC∞v
44 CH2 Methylene 3B1C2v
45 SiH2 silicon dihydride 1A1C2v
46 CH3 Methyl radical 2A1D3h
47 CH4 Methane 1A1Td
48 SiH4 Silane 1A1Td
49 N Nitrogen atom 4SKh
50 N+ Nitrogen atom cation 3PKh
51 P Phosphorus atom 4SKh
52 NH Imidogen 3Σ-C∞v
53 PH phosphorus monohydride 3Σ-C∞v
54 ND2 Amidogen-d2 2B1C2v
55 NH2 Amino radical 2B1C2v
56 PH2 Phosphino radical 2B1C2v
57 ND3 Ammonia-d3 1A1C3v
58 NH3 Ammonia 1A1C3v
59 PH3 Phosphine 1A1C3v
60 O Oxygen atom 3SKh
61 O+ Oxygen atom cation 4SKh
62 S Sulfur atom 3PKh
63 Se Selenium atom 3PKh
64 DO Hydroxyl-d 2ΠC∞v
65 OH Hydroxyl radical 2ΠC∞v
66 DS Mercapto-d 2ΠC∞v
67 HS Mercapto radical 2ΠC∞v
68 HSe Selenium monohydride 2ΠC∞v
69 D2O Deuterium oxide 1A1C2v
70 H2O Water 1A1C2v
71 HDO Water-d1 1A1C2v
72 D2S Hydrogen sulfide-d2 1A1C2v
73 H2S Hydrogen sulfide 1A1C2v
74 H2Se Hydrogen selenide 1A1C2v
75 F Fluorine atom 2PKh
76 F+ Fluorine atom cation 3SKh
77 Cl Chlorine atom 2PKh
78 Cl+ Chlorine atom cation 3PKh
79 Br Bromine atom 2PKh
80 I Iodine atom 2PKh
81 DF Hydrofluoric acid-d 1ΣC∞v
82 HF Hydrogen fluoride 1ΣC∞v
83 DCl Hydrochloric acid-d 1ΣC∞v
84 HCl Hydrogen chloride 1ΣC∞v
85 HBr hydrogen bromide 1ΣC∞v
86 HI Hydrogen iodide 1ΣC∞v
87 Ne Neon atom 1SKh
88 Ne+ Neon atom cation 2PKh
89 Ar Argon atom 1SKh
90 Li2 Lithium diatomic 1ΣgD∞v
91 NaLi lithium sodium 1ΣC∞v
92 Na2 Sodium diatomic 1ΣgD∞h
93 Be2 Beryllium diatomic 1ΣgD∞h
94 Mg2 Magnesium diatomic 1ΣgD∞h
95 B2 Boron diatomic 3ΣgD∞h
96 Al2 Aluminum diatomic 3ΣgD∞h
97 B2H6 Diborane 1AgD2h
98 C2 Carbon diatomic 1Σg+D∞h
99 Si2 Silicon diatomic 3ΣgD∞h
100 C2H2 Acetylene 1ΣgD∞h
101 CCH2 vinylidene 1A1C2v
102 C2H3 vinyl 2A'Cs
103 C2H4 Ethylene 1AgD2h
104 C2H5 Ethyl radical 2A'Cs
105 C2H6 Ethane 1A1gD3d
106 CH3SiH3 methyl silane 1A1C3
107 Si2H6 disilane 1EuD3d
108 BN boron nitride 3ΠC∞v
109 AlN Aluminum nitride 3ΠiC∞v
110 CN Cyano radical 2ΣC∞v
111 CP Carbon monophosphide 2ΣC∞v
112 SiN Silicon nitride 2ΣC∞v
113 N2 Nitrogen diatomic 1ΣgD∞h
114 PN Phosphorus mononitride 1ΣC∞v
115 P2 Phosphorus diatomic 1ΣgD∞h
116 HNC hydrogen isocyanide 1ΣC∞v
117 HCN Hydrogen cyanide 1ΣC∞v
118 HCP Phosphaethyne 1ΣC∞v
119 NNH Dinitrogen monohydride 2A'Cs
120 HPO Hydrogen phosphorus oxide 1A'Cs
121 N2H2 (E)-diazene 1AgC2h
122 CH2NH Methanimine 1A'Cs
123 CH2PH Phosphaethene 1A'Cs
124 N2H4 Hydrazine 1AC2
125 P2H4 Diphosphine 1AC2
126 CH3NH2 methyl amine 1A'Cs
127 CH3PH2 Methyl phosphine 1A'Cs
128 NH3NH3 Ammonia Dimer 1AgC2h
129 LiO lithium oxide 2ΣC∞v
130 NaO sodium monoxide 2ΣC∞v
131 CuO Copper Monoxide 2ΠC∞v
132 BeO beryllium oxide 1ΣC∞v
133 BeS beryllium sulfide 1ΣC∞v
134 MgO magnesium oxide 1Σ+C∞v
135 CaO Calcium monoxide 1ΣC∞v
136 BO boron monoxide 2ΣC∞v
137 AlO Aluminum monoxide 2ΣC∞v
138 AlS Aluminum sulfide 2ΣC∞v
139 CO Carbon monoxide 1ΣC∞v
140 CS carbon monosulfide 1ΣC∞v
141 SiO Silicon monoxide 1ΣC∞v
142 SiS silicon monosulfide 1ΣC∞v
143 NO Nitric oxide 2ΠC∞v
144 NS Mononitrogen monosulfide 2ΠC∞v
145 PO Phosphorus monoxide 2ΠC∞v
146 O2 Oxygen diatomic 3ΣgD∞h
147 O2+ diatomic oxygen cation 2ΠgD∞h
148 SO Sulfur monoxide 3ΣC∞v
149 S2 Sulfur diatomic 3ΣgD∞h
150 SeO Selenium monoxide 3ΣC∞v
151 Se2 Selenium diatomic 3ΣgD∞h
152 LiOH lithium hydroxide 1ΣC∞v
153 NaOH sodium hydroxide 1ΣC∞v
154 BeOH beryllium monohydroxide 2A'Cs
155 MgOH magnesium hydroxide 2A'Cs
156 HBO Boron hydride oxide 1ΣC∞v
157 HBS hydrogen boron sulfide 1ΣC∞v
158 HCO Formyl radical 2A'Cs
159 HCS Thioformyl radical 2A'Cs
160 HNO Nitrosyl hydride 1A'Cs
161 HO2 Hydroperoxy radical 2A"Cs
162 H2CO Formaldehyde 1A1C2v
163 H2CS Thioformaldehyde 1A1C2v
164 H2O2 Hydrogen peroxide 1AC2
165 H2S2 Disulfane 1AC2
166 CH2OH Hydroxymethyl radical 2AC1
167 CH3O Methoxy radical 2A'C1
168 NH2OH hydroxylamine 1A'Cs
169 CH3OH Methyl alcohol 1A'Cs
170 CH3SH Methanethiol 1A'Cs
171 CH3SeH Methane selenol 1A'Cs
172 H2OH2O water dimer 1A'Cs
173 H2ONH3 Water Ammonia Dimer 1A'C1
174 LiF lithium fluoride 1ΣC∞v
175 LiCl lithium chloride 1ΣC∞v
176 NaF sodium fluoride 1ΣC∞v
177 KF Potassium Fluoride 1ΣC∞v
178 NaCl Sodium Chloride 1ΣC∞v
179 KCl Potassium Chloride 1ΣC∞v
180 CuF Copper monofluoride 1ΣC∞v
181 CuCl Copper monochloride 1ΣC∞v
182 NaBr Sodium Bromide 1ΣC∞v
183 KBr Potassium Bromide 1ΣC∞v
184 BeF Beryllium monofluoride 2ΣC∞v
185 BeCl beryllium monochloride 2ΣC∞v
186 MgF Magnesium monofluoride 2ΣC∞v
187 BF Boron monofluoride 1ΣC∞v
188 AlF Aluminum monofluoride 1Σ+C∞v
189 BCl boron monochloride 1ΣC∞v
190 CF Fluoromethylidyne 2ΠC∞v
191 CCl carbon monochloride 2ΠC∞v
192 SiCl Clorosilylidyne 2ΠC∞v
193 PF phosphorus monofluoride 3ΣC∞v
194 PCl phosphorus chloride 3ΣC∞v
195 FO Oxygen monofluoride 2ΠC∞v
196 ClO Monochlorine monoxide 2ΠC∞v
197 SF Monosulfur monofluoride 2ΠC∞v
198 SCl sulfur monochloride 2ΠC∞v
199 BrCl Bromine monochloride 1ΣC∞v
200 F2 Fluorine diatomic 1ΣgD∞h
201 ClF Chlorine monofluoride 1Σ+C∞v
202 Cl2 Chlorine diatomic 1ΣgD∞h
203 BrF Bromine monofluoride 1ΣC∞v
204 IF Iodine monofluoride 1ΣC∞v
205 Br2 Bromine diatomic 1ΣgD∞h
206 ICl Iodine monochloride 1ΣC∞v
207 IBr Iodine monobromide 1ΣC∞v
208 HCF Fluoromethylene 1A'Cs
209 HOF Hypofluorous acid 1A'Cs
210 DOCl Hypochlorous acid-d 1A'Cs
211 HOCl hypochlorous acid 1A'Cs
212 HOBr Hypobromous acid 1A'Cs
213 CH3F Methyl fluoride 1A1C3v
214 CH3Cl Methyl chloride 1A1C3v
215 SiH3F monofluorosilane 1A1C3v
216 SiH3Cl chlorosilane 1A1C1
217 CH3Br methyl bromide 1A1C3v
218 CH3I methyl iodide 1A1C3v
219 C3 carbon trimer 1ΣgD∞h
220 C3H3 Propargyl radical 2B1Cs
221 CH2CCH2 allene 1A1D2d
222 CH3CCH propyne 1A'C3v
223 C3H5 Allyl radical 2A2C2v
224 C3H6 Cyclopropane 1A1'D3h
225 CH2CHCH3 Propene 1A'Cs
226 C3H7 n-Propyl radical 2A"C1
227 CH3CHCH3 Isopropyl radical 2AC2
228 C3H8 Propane 1A1C2v
229 SiH2(CH3)2 dimethylsilane 1A1C2v
230 HN3 hydrogen azide 1A'Cs
231 CH2NN diazomethane 1A1C2v
232 NH2CN cyanamide 1A1C2v
233 CH3CN Acetonitrile 1A1C3v
234 CH3NC methyl isocyanide 1A1C3v
235 NHCHNH2 aminomethanimine 1AC1
236 C2H5N Aziridine 1A'C1
237 CH3CH2NH2 Ethylamine 1A'Cs
238 CH3NHCH3 Dimethylamine 1A'Cs
239 BO2 Boron dioxide 2A'D∞h
240 N2O Nitrous oxide 1ΣC∞v
241 CO2 Carbon dioxide 1ΣgD∞h
242 OCS Carbonyl sulfide 1ΣC∞v
243 SiO2 silicon dioxide 1ΣgD∞h
244 CS2 Carbon disulfide 1ΣgD∞h
245 OCSe Carbonyl selenide 1ΣC∞v
246 NO2 Nitrogen dioxide 2A1C2v
247 PO2 Phosphorus dioxide 2A1C2v
248 O3 Ozone 1A1Cs
249 SO2 Sulfur dioxide 1A1C2v
250 SSO Disulfur monoxide 1A'Cs
251 S3 Sulfur trimer 1A1C2v
252 SeO2 Selenium dioxide 1A1C2v
253 HCCO ketenyl radical 2ΠC∞v
254 HCCO ketenyl radical 2A"Cs
255 HCNO fulminic acid 1ΣC∞v
256 HNCO Isocyanic acid 1A'Cs
257 HOCN cyanic acid 1A'Cs
258 HNO2 Nitrous acid 1A'Cs
259 CH2CO Ketene 1A1C2v
260 HCCOH ethynol 1A'Cs
261 CH2O2 Dioxirane 1A1C2v
262 HCOOH Formic acid 1A'Cs
263 CH3CO Acetyl radical 2A'Cs
264 CHONH2 formamide 1A'Planar
265 CH3OO methylperoxy radical 2A"Cs
266 C2H4O Ethylene oxide 1A1C2v
267 CH2CHOH ethenol 1A'Cs
268 CH3CHO Acetaldehyde 1A'Cs
269 C2H4S Thiirane 1A1C2v
270 CH3CHS Thioacetaldehyde 1A'C1
271 CH3OOH Methyl peroxide 1AC1
272 CH3CH2OH Ethanol 1A'Cs
273 CH3OCH3 Dimethyl ether 1A1C2v
274 CH3CH2SH ethanethiol 1A'Cs
275 CH3SCH3 Dimethyl sulfide 1A1C2v
276 H2OCH3OH water methanol dimer 1AC1
277 FCN Cyanogen fluoride 1ΣC∞v
278 ClCN chlorocyanogen 1ΣC∞v
279 BrCN Cyanogen bromide 1ΣC∞v
280 MgCl2 Magnesium dichloride 1ΣgC2v
281 CaF2 Calcium difluoride 1ΣgC2v
282 FNO Nitrosyl fluoride 1A'Cs
283 ClNO Nitrosyl chloride 1A'Cs
284 CF2 Difluoromethylene 1A1D∞h
285 CCl2 dichloromethylene 1A1C2v
286 SiCl2 Dichlorosilylene 1A1C2v
287 FOO Dioxygen monofluoride radical 2A"Cs
288 ClOO chloroperoxy radical 2A"Cs
289 OClO Chlorine dioxide 2B1D∞h
290 ClS2 Sulfur chloride 2A"Cs
291 NF2 Difluoroamino radical 2B1C2v
292 F2O Difluorine monoxide 1A1C2v
293 SF2 sulfur difluoride 1A1C2v
294 Cl2O Dichlorine monoxide 1A1C2v
295 SCl2 Sulfur dichloride 1A1C2v
296 HCCF Fluoroacetylene 1ΣC∞v
297 HFCO formyl fluoride 1A'Cs
298 BHF2 Difluoroborane 1A1C2v
299 BHCl2 Borane, dichloro- 1A1C2v
300 CH2F2 Methane, difluoro- 1A1C2v
301 CH2FCl fluorochloromethane 1A'Cs
302 CH2Cl2 Methylene chloride 1A1C2v
303 CH2Br2 dibromomethane 1A1C2v
304 SiH2Cl2 dichlorosilane 1A1C2v
305 CH2CHF Ethene, fluoro- 1A'Cs
306 C2H3Cl Ethene, chloro- 1A'Cs
307 C2H3Br vinyl bromide 1A'Cs
308 C2H5F fluoroethane 1A'Cs
309 CH3CH2Cl Ethyl chloride 1A'Cs
310 C2H5Br Ethyl bromide 1A'Cs
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 CH2CHCHCH2 1,3-Butadiene 1AgC2h
320 CH3CCCH3 2-Butyne 1A1'D3h
321 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
322 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
323 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
324 Al(CH3)3 trimethyl aluminum 1A'C3h
325 C(CH3)3 Tert-butyl radical 2A"C3v
326 CH2CH(CH3)2 Isobutyl radical 2A'C1
327 CH3CHCH2CH3 2-Butyl radical 1AC1
328 CH3CH(CH3)CH3 Isobutane 1A1C3v
329 CH3CH2CH2CH3 Butane 1AgAnti
330 C2N2 Cyanogen 1ΣgD∞h
331 P4 Phosphorus tetramer 1A1Td
332 HCCCN Cyanoacetylene 1ΣC∞v
333 C3H3N acrylonitrile 1A'Cs
334 C3H7N Cyclopropylamine 1A'C1
335 C4H8 cyclobutane 1A1D2d
336 C2H8N2 Ethylenediamine 1AgC2h
337 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
338 N(CH3)3 Trimethylamine 1A1C3v
339 NH2CH2CH2CH3 1-Propanamine 1A'Cs
340 B2O2 Diboron dioxide 1ΣgD∞h
341 ONNO NO dimer 1Agtrans C2H
342 NO3 Nitrogen trioxide 2B2one short, two long
343 SO3 Sulfur trioxide 1A1'D3h
344 HNO3 Nitric acid 1A'Cs
345 C2H2O2 Ethanedial 1AgC2h
346 CH3ONO Methyl nitrite 1A'C1
347 C3H4O 2-Propyn-1-ol 1A'Cs
348 C3H4O allenol 1A'Cs
349 C3H4O Cyclopropanone 1A1C2v
350 C3H4O Methylketene 1A'Cs
351 CH2CHCHO Acrolein 1A'Cs
352 NH2CONH2 Urea 1AC2
353 NH2CSNH2 Thiourea 1AC2
354 CH3COOH Acetic acid 1A'Cs
355 CH3OCHO methyl formate 1A'Cs
356 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
357 H2OHCOOH Water formic acid dimer 1 1AC1
358 H2OHCOOH Water formic acid dimer 2 1AC1
359 HCOOHH2O Formic acid water dimer 1AC1
360 CH3CHNOH Acetaldoxime 1A'CS trans
361 CH3CONH2 Acetamide 1A'C1
362 C3H6O Propylene oxide 1AC1
363 CH3CH2CHO Propanal 1A'Cs
364 CH3COCH3 Acetone 1A1C2v
365 C3H6S Thietane 1A'Cs
366 C3H6S Thiirane, methyl- 1AC1
367 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
368 CH3SSCH3 Disulfide, dimethyl 1AC2
369 CH3CHOHCH3 Isopropyl alcohol 1AC1
370 C3H7SH 1-Propanethiol 1A'Cs
371 CH3CHSHCH3 2-Propanethiol 1A'Cs
372 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
373 H2OCH3OCH3 water dimethylether dimer 1AC1
374 C2F2 difluoroacetylene 1ΣgD∞h
375 C2Cl2 dichloroacetylene 1ΣgC2h
376 ClNO2 Nitryl chloride 1A1C2v
377 N2F2 (Z)-Difluorodiazene 1A1C2v
378 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
379 CF2O Carbonic difluoride 1A1C2v
380 CCl2O Phosgene 1A1C2v
381 BF3 Borane, trifluoro- 1A'D3h
382 AlF3 Aluminum trifluoride 1A1'D3h
383 AlF2Cl Aluminum chloride difluoride 1A1C2v
384 AlFCl2 Aluminum dichloride fluoride 1A1C2v
385 BCl3 Borane, trichloro- 1A1'D3h
386 AlCl3 Aluminum trichloride 1A1'D3h
387 CF3 Trifluoromethyl radical 2A1C3v
388 CCl3 Trichloromethyl radical 2A1C3
389 SOCl2 thionyl chloride 1A'Cs
390 NF3 Nitrogen trifluoride 1A1C3v
391 PF3 Phosphorus trifluoride 1A1C3v
392 PCl3 Phosphorus trichloride 1A1C3v
393 ClSSCl Disulfur dichloride 1AC2
394 BrF3 Bromine trifluoride 1A1C2v
395 CHF3 Methane, trifluoro- 1A1C3v
396 CHF2Cl difluorochloromethane 1A'Cs
397 CHFCl2 fluorodichloromethane 1A'Cs
398 CHCl3 Chloroform 1A1C3v
399 SiHCl3 Trichlorosilane 1A1C3v
400 CHBr3 bromoform 1A1C3v
401 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
402 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
403 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
404 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
405 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
406 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
407 CH3COF Acetyl fluoride 1A'NULL
408 CH3COCl Acetyl Chloride 1A'Cs
409 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
410 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
411 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
412 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
413 C3H5Cl 1-Propene, 3-chloro- 1AC1
414 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
415 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
416 C5H6 1,3-Cyclopentadiene 1A1C2v
417 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
418 C5H6 3-Penten-1-yne, (E)- 1A'Cs
419 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
420 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
421 C5H6 Cyclopropylacetylene 1A'C1
422 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
423 C5H8 1,2-Pentadiene 1A'C1
424 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
425 C5H8 1,3-Pentadiene, (E)- 1A'C1
426 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
427 C5H8 1,4-Pentadiene 1AC2
428 C5H8 2,3-Pentadiene 1AC1
429 C5H8 Cyclobutane, methylene- 1A'Cs
430 C5H8 Cyclopentene 1A'Cs
431 C5H10 1-Butene, 2-methyl- 1AC1
432 C5H10 2-Butene, 2-methyl- 1A'Cs
433 C5H10 2-Pentene, (E)- 1A'Cs
434 C5H10 2-Pentene, (Z)- 1AC1
435 C5H10 Cyclopentane 1AC1
436 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
437 CH2CHCH2CH2CH3 1-pentene 1AC1
438 C5H11 2-Methylbut-2-yl radical 1AC1
439 C5H12 Butane, 2-methyl- 1AC1
440 C5H12 Pentane 1A1C2v
441 C5H12 Propane, 2,2-dimethyl- 1A1Td
442 Si(CH3)4 tetramethylsilane 1A1Td
443 N2O3 Dinitrogen trioxide 1A'Cs
444 C3H2N2 Malononitrile 1A1Cs
445 C3H4N2 1H-Imidazole 1A'Cs
446 C3H4N2 1H-Pyrazole 1A'Cs
447 C4H5N (E)-2-Butenenitrile 1A'Cs
448 C4H5N (Z)-2-Butenenitrile 1A'Cs
449 C4H5N Cyclopropanecarbonitrile 1A'Cs
450 C4H5N Pyrrole 1A1C2v
451 C3H6N2 3-Aminopropionitrile 1A'Cs
452 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
453 C5H8 Spiropentane 1A1D2d
454 C4H9N Cyclobutylamine 1A'Cs
455 C4H9N Pyrrolidine 1A'Cs
456 C3H10N2 1,2-Diaminopropane 1AC1
457 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
458 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
459 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
460 C3O2 Carbon suboxide 1ΣGD∞h
461 H2SO4 Sulfuric acid 1AC1
462 C3H3NO Isoxazole 1A'Cs
463 CH3NO3 Methyl nitrate 1A'Cs
464 C4H4O Furan 1A1C2
465 C4H4S Thiophene 1A1C2v
466 C3H4O2 β–Propiolactone 1A'Cs
467 C3H4O2 2-Propenoic acid 1A'Cs
468 C3H4O2 propanedial 1AC1
469 C3H4O2 propenalol 1A'Cs
470 CH2CHCONH2 Acrylamide 1ACs
471 CH3OCH2CN Methoxyacetonitrile 1AC1
472 CH5N3S Hydrazinecarbothioamide 1AC1
473 H2NCH2COOH Glycine 1A'Cs
474 C4H6O cis-2-butenal 1ACs
475 C4H6O Cyclobutanone 1A1C2v
476 C4H6O Furan, 2,3-dihydro- 1AC1
477 C4H6O Furan, 2,5-dihydro- 1A1Cs
478 CH2CHOCHCH2 Vinyl ether 1A1C2v
479 CHOCHCHCH3 2-Butenal 1A'Cs
480 C4H6S Thiophene, 2,3-dihydro- 1AC1
481 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
482 CH2CHSCHCH2 Divinyl sulfide 1AC2v
483 C2H6N2O Urea, methyl- 1AC1
484 C3H6O2 1,3-Dioxolane 1AC1
485 CH3COOCH3 methyl acetate 1A'Cs
486 C2H6O2S Dimethyl sulfone 1A1C2v
487 CH3SSSCH3 dimethyl trisulfide 1AC2
488 C3H7NO Propanamide 1A'C1
489 C2H3OC2H5 Ethene, ethoxy- 1AC1
490 C4H8O Cyclobutanol 1A'C1
491 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
492 CH3COCH2CH3 2-Butanone 1AC1
493 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
494 CHOCH2CH2CH3 Butanal 1A'Cs
495 C4H8S Thiophene, tetrahydro- 1AC1
496 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
497 C3H8O2 Methane, dimethoxy- 1A1C2v
498 C3H8O2 Propylene glycol 1AC1
499 C3H8S2 1,3-Propanedithiol 1A1C1
500 C4H10O 1-Propanol, 2-methyl- 1AC1
501 C4H10O 2-Butanol, (.+/-.)- 1AC1
502 C4H10O Ethanol, 1,1-dimethyl- 1AC1
503 C4H10O Ethoxy ethane 1A1C2v
504 C4H10O Propane, 2-methoxy- 1A'Cs
505 C2H5SC2H5 Diethyl sulfide 1A1C2v
506 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1AC1
507 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
508 CH3CH(SH)CH2CH3 2-Butanethiol 1AC1
509 FNO3 Fluorine nitrate 1A'Cs
510 TiCl4 Titanium tetrachloride 1A1Td
511 ClFO3 Perchloryl fluoride 1A1Cs
512 SO2Cl2 Sulfuryl chloride 1A1C2v
513 F3NO Nitrogen trifluoride oxide 1A1C3v
514 F3PO Phosphoryl fluoride 1A1C3v
515 Cl3PO Phosphoryl chloride 1A1C3v
516 CF4 Carbon tetrafluoride 1A1Td
517 CF3Cl Methane, chlorotrifluoro- 1A1C3v
518 SiF4 Silicon tetrafluoride 1A1Td
519 CF2Cl2 difluorodichloromethane 1A1C2v
520 CFCl3 Trichloromonofluoromethane 1A1C3v
521 CCl4 Carbon tetrachloride 1A1Td
522 SiCl4 Silane, tetrachloro- 1A1Td
523 CBr4 Carbon tetrabromide 1A1Td
524 SF4 Sulfur tetrafluoride 1A1C2v
525 C2HF3 Trifluoroethylene 1A'Cs
526 CHClCCl2 Trichloroethylene 1A'Cs
527 HSO3F Fluorosulfonic acid 1AC1
528 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
529 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
530 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
531 C3H5ClO Oxirane, (chloromethyl)- 1AC1
532 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
533 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
534 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
535 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
536 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
537 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
538 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
539 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
540 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
541 CH2ClCH2CH2CH3 Butane, 1-chloro- 1A'Cs
542 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
543 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
544 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
545 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
546 C6H6 2,4-Hexadiyne 1A1'D3h
547 C6H6 Benzene 1A1gD6h
548 C6H8 (E)-hexa-1,3,5-triene 1AgCs
549 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
550 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
551 C6H8 1,4-Cyclohexadiene 1AgC2v
552 C6H8 3-Methylenecyclopentene 1AC1
553 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
554 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
555 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
556 C6H10 1,3-Hexadiene, (E)- 1A'Cs
557 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
558 C6H10 1,4-Hexadiene, (E)- 1AC1
559 C6H10 1,4-Hexadiene, (Z)- 1AC1
560 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
561 C6H10 1-Hexyne 1A'Cs
562 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
563 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
564 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
565 C6H10 2-Hexyne 1A'C1
566 C6H10 cyclohexene 1AC2
567 C6H10 Cyclopentene, 1-methyl- 1AC1
568 C6H10 Cyclopentene, 3-methyl- 1AC1
569 C6H10 Cyclopentene, 4-methyl- 1AC1
570 C6H12 (E)-3-methylpent-2-ene 1AC1
571 C6H12 (Z)-3-methylpent-2-ene 1AC1
572 C6H12 Cyclohexane 1A1gChair
573 C6H12 Cyclopentane, methyl- 1AC1
574 C6H12 Ethylcyclobutane 1AC1
575 C6H14 Butane, 2,2-dimethyl- 1A'C1
576 C6H14 Butane, 2,3-dimethyl- 1AgC2h
577 C6H14 Hexane 1AgC2h
578 C6H14 Pentane, 2-methyl- 1AC1
579 C6H14 Pentane, 3-methyl- 1A'Cs
580 C4N2 2-Butynedinitrile 1ΣgD∞h
581 CH3N5 5-Aminotetrazole 1AC1
582 C4H4N2 1,3-Diazine 1A1C2v
583 C4H4N2 Pyrazine 1AgD2h
584 C4H4N2 Pyridazine 1A1C2v
585 C4H4N2 Succinonitrile 1AgC2h
586 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
587 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
588 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
589 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
590 C5H5N Pyridine 1A1C2v
591 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
592 C5H7N (E)-2-Pentenenitrile 1A'Cs
593 C5H7N (E)-3-Pentenenitrile 1AC1
594 C5H7N (Z)-2-Pentenenitrile 1AC1
595 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
596 C5H7N Cyclobutanecarbonitrile 1A'Cs
597 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
598 C5H9N Butanenitrile, 2-methyl- 1AC1
599 C5H9N Pentanenitrile 1A'Cs
600 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
601 C5H11N Cyclopentanamine 1A'Cs
602 C5H11N Piperidine 1A'NH equatorial
603 C5H11N Piperidine 1A'NH axial
604 C4H12N2 1,2-Butanediamine 1AC1
605 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
606 N2O4 Dinitrogen tetroxide 1AgD2d
607 C2H3NO3 Oxamic acid 1A'H out
608 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
609 C2H4N2O2 Oxalamide 1AgC2h
610 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
611 C3H4S3 1,3-Dithiolane-2-thione 1AC1
612 C4H5NO 3-Methylisoxazole 1AC1
613 C4H5NO Isoxazole, 5-methyl- 1AC1
614 C4H5NS 4-Methylthiazole 1AC1
615 C5H6S Thiophene, 2-methyl- 1A'Cs
616 C5H6S Thiophene, 3-methyl- 1A'Cs
617 C4H6O2 2-Propenoic acid, methyl ester 1AC1
618 C4H6OS 2,3-dihydrothiophene-2-ol 1AC1
619 C4H6OS 2,5-dihydrothiophene-3-ol 1AC1
620 C4H6OS 4,5-dihydrothiophene-2-ol 1AC1
621 C4H6OS 4,5-dihydrothiophene-3-ol 1AC1
622 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
623 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
624 C4H6OS Vinyl sulfoxide 1A'Cs
625 CH6N4S Carbonothioic dihydrazide 1AC2
626 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
627 C2H6N2O2 Dimethylnitroamine 1AC1
628 C3H6O3 1,3,5-Trioxane 1A1C1
629 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
630 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
631 C4H7NO 2-Pyrrolidinone 1AC1
632 C4H7NO Methacrylamide 1AC1
633 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
634 HCONH2CN2H4 formamide aminomethanimine dimer 1AC1
635 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
636 CH3CH(NH2)COOH Alanine 1AC1
637 CH3NHCH2COOH Sarcosine 1AC1
638 NH2CH2CH2COOH β–alanine 1AC1
639 NH2COOC2H5 Urethane 1AC1
640 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
641 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
642 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
643 NH2CONHC2H5 Urea, ethyl- 1AC1
644 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
645 C4H8O2 1,4-Dioxane 1AgC2h
646 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
647 C4H8OS s-Ethyl thioacetate 1AC1
648 C3H8O3 1,2,3-Propanetriol 1AC1
649 C3H8O2S (Methylsulfonyl)ethane 1AC1
650 C4H9NO Butanamide 1AC1
651 C4H9NO Propanamide, 2-methyl- 1AC1
652 C5H10O 2-Butanone, 3-methyl- 1AC1
653 C5H10O 2H-Pyran, tetrahydro- 1A'C1
654 C5H10O 2-Pentanone 1AC1
655 C5H10O 3-Pentanone 1A1C2v
656 C5H10O Cyclopentanol 1AC1
657 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
658 C5H10O Pentanal 1A'C1
659 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
660 C5H10S 3-Ethylthio-1-propene 1A'C1
661 C5H10S Cyclopentanethiol 1AC1
662 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
663 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
664 C4H10O2 1,1-Dimethoxyethane 1A'Cs
665 C4H10O2 1,3-Butanediol 1AC1
666 C4H10O2 1,4-Butanediol 1AgC2h
667 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
668 C4H10OS Diethyl sulfoxide 1AC1
669 C4H10S2 1,4-Butanedithiol 1AgC2h
670 C4H11NO Diethylhydroxylamine 1A'Cs
671 C5H12O 1-Butanol, 2-methyl- 1AC1
672 C5H12O 1-Butanol, 3-methyl- 1A'Cs
673 C5H12O 1-Pentanol 1A'Cs
674 C5H12O 2-Butanol, 3-methyl- 1AC1
675 C5H12O 2-Pentanol 1AC1
676 C5H12O Butane, 1-methoxy- 1A'Cs
677 C5H12O Propane, 1-ethoxy- 1A'Cs
678 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
679 C5H12S 1-Butanethiol, 2-methyl- 1AC1
680 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
681 C5H12S 1-Pentanethiol 1A'C1
682 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
683 C5H12S 2-Butanethiol, 3-methyl- 1AC1
684 C5H12S Butane, 1-(methylthio)- 1A'Cs
685 C5H12S Ethyl propyl sulfide 1A'Cs
686 C5H12S Propane, 2-(ethylthio)- 1A'C1
687 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
688 CF3CN Acetonitrile, trifluoro- 1A1C3v
689 B2F4 Diboron tetrafluoride 1AGD2h
690 B2Cl4 Diboron tetrachloride 1A1D2
691 C2F4 Tetrafluoroethylene 1AgD2h
692 C2Cl4 Tetrachloroethylene 1AgD2h
693 PF5 Phosphorus pentafluoride 1A1'D3h
694 PCl5 Phosphorus pentachloride 1A1'C4v
695 BrF5 bromine pentafluoride 1A1C4v
696 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
697 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
698 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
699 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
700 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
701 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
702 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
703 C5H11Cl Pentane, 1-chloro- 1A'Cs
704 C6H5CH2 benzyl radical 2B1Cs
705 C6H5CH3 toluene 1A'Cs
706 C7H12 Norbornane 1A1C2v
707 C7H16 2-methylhexane 1AC1
708 C7H16 heptane 1A1C2v
709 C6H5NH2 aniline 1A'Cs
710 C5H5NO 2(1H)-Pyridinone 1A'Cs
711 C5H5NO 2(3H)-Pyridinone 1ACs
712 C5H5NO 2(5H)-Pyridinone 1A'Cs
713 C5H5NO 2-Pyridinol 1A'Cs
714 C5H5NO 3(2H)-Pyridinone 1A'Cs
715 C5H5NO 3(4H)-Pyridinone 1A'C1
716 C5H5NO 3(6H)-Pyridinone 1A'Cs
717 C5H5NO 3-Pyridinol 1A'Cs
718 C5H5NO 4(1H)-Pryidinone 1A'Cs
719 C5H5NO 4(3H)-Pryidinone 1A'Cs
720 C5H5NO 4-Pyridinol 1A'Cs
721 C6H5OH phenol 1A'Cs
722 C6H6O 2,4-Cyclohexadienone 1ACs
723 C6H10O cyclohexanone 1A'Cs
724 SF6 Sulfur Hexafluoride 1A1GOh
725 C6H5Cl chlorobenzene 1A1C2v
726 C6H5Br bromobenzene 1A1C2v
727 C6H5CCH phenylacetylene 1A1C2v
728 C6H5CHCH2 Styrene 1A'Cs
729 C8H8 cubane 1A1GOh
730 C8H8 cyclooctatetraene 1A1D2d
731 C6H5CH2CH3 Ethylbenzene 1A'Cs
732 S8 Octasulfur 1A1D4d
733 C6H5CHO benzaldehyde 1A'Cs
734 C6H5OCH3 Anisole 1A'Cs
735 C2F6 hexafluoroethane 1A1gD3d
736 C8H7N Indole 1A'Cs
737 C6H5NO2 Nitrobenzene 1A1C2v
738 C6H5COOH benzoic acid 1A'Cs
739 C10H8 naphthalene 1AgD2h
740 C10H16 adamantane 1A1Td
741 C12H10 biphenyl 1AD2

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2- hydrogen diatomic anion h2-  
5 H2+ Hydrogen cation h2+  
6 H3+ hydrogen trimer cation h3+  
7 He Helium atom he  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li- Lithium atom anion li-  
14 Li+ Lithium atom cation li+  
15 Na- Sodium atom anion na-  
16 Na+ Sodium atom cation na+  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH- lithium hydride anion lih-  
22 LiH+ lithium hydride cation lih+  
23 NaH- sodium hydride anion nah-  
24 NaH+ sodium hydride cation nah+  
25 KH+ Potassium hydrogen cation kh+  
26 CuH Copper monohydride cuh  
27 Be- Beryllium atom anion be-  
28 Mg- Magnesium atom anion mg-  
29 Ca- Calcium atom anion ca-  
30 Ca+ Calcium atom cation ca+  
31 Zn- Zinc atom anion zn-  
32 Zn+ Zinc atom cation zn+  
33 BeH- berylium monohydride anion beh-  
34 BeH+ beryllium monohydride cation beh+  
35 MgH- magnesium monohydride anion mgh-  
36 MgH+ magnesium monohydride cation mgh+  
37 CaH Calcium monohydride cah  
38 CaH+ Calcium monohydride cation cah+  
39 TiH Titanium monohydride tih  
40 ZnH Zinc monohydride znh  
41 ZnH+ Zinc, protonated znh+  
42 BeH2+ Beryllium dihydride cation beh2+  
43 CaH2 Calcium Hydride cah2  
44 ZnH2 Zinc hydride znh2  
45 B- Boron atom anion b-  
46 Al- Aluminum atom anion al-  
47 Sc Scandium atom sc  
48 Sc+ Scandium cation sc+  
49 Ga Gallium atom ga  
50 Ga- Gallium atom anion ga-  
51 Ga+ Gallium atom cation ga+  
52 BH- boron monohydride anion bh-  
53 BH+ boron monohydride cation bh+  
54 AlH- aluminum monohydride anion alh-  
55 AlH+ aluminum monohydride cation alh+  
56 ScH Scandium monohydride sch  
57 ScH+ Scandium monohydride cation sch+  
58 GaH Gallium monohydride gah  
59 GaH+ Gallium monohydride cation gah+  
60 BH2- boron dihydride anion bh2-  
61 BH2+ Boron dihydride cation bh2+  
62 AlH2- aluminum dihydride anion alh2-  
63 AlH2+ aluminum dihydride cation alh2+  
64 BH3- boron trihydride anion bh3-  
65 BH3+ boron trihydride cation bh3+  
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 Si- Silicon atom anion si-  
75 Ti- Titanium atom anion ti-  
76 Ti+ Titanium atom cation ti+  
77 Ge Germanium atom ge  
78 Ge- Germanium anion ge-  
79 Ge+ Germanium cation ge+  
80 Sn Tin atom sn  
81 Sn+ Tin cation sn+  
82 CH- methylidyne anion ch-  
83 CH+ Methylidyne cation ch+  
84 SiH- silicon monohydride anion sih-  
85 SiH+ silicon monohydride cation sih+  
86 GeH germylidene geh  
87 GeH+ Germaniun monohyrdide cation geh+  
88 CH2- methylene anion ch2-  
89 CH2+ methylene cation ch2+  
90 SiH2- silicon dihydride anion sih2-  
91 SiH2+ silicon dihydride cation sih2+  
92 GeH2 germylene geh2  
93 GeH2- germylene anion geh2-  
94 CH3- methyl anion ch3-  
95 CH3+ methyl cation ch3+  
96 SiH3 Silyl radical sih3  
97 SiH3- Silyl anion sih3-  
98 SiH3+ Silyl cation sih3+  
99 GeH3 Germyl radical geh3  
100 GeH3+ germyl cation geh3+  
101 CD4 methane-d4 cd4  
102 CH2D2 methane-d2 ch2d2  
103 CH3D methane-d ch3d  
104 CH4- Methane anion ch4-  
105 CH4+ Methane cation ch4+  
106 CHD3 methane-d3 chd3  
107 SiH2D2 silane-d2 sih2d2  
108 SiH4+ Silane cation sih4+  
109 GeH4 Germane geh4  
110 SnH4 Stannane snh4  
111 SiH5+ Silane, protonated sih5+  
112 N- Nitrogen atom anion n-  
113 P- Phosphorus atom anion p-  
114 P+ Phosphorus atom cation p+  
115 V Vanadium atom v  
116 V+ Vanadium atom cation v+  
117 As Arsenic atomic as  
118 As- Arsenic anion as-  
119 As+ Arsenic cation as+  
120 Sb Antimony atom sb  
121 NH- Imidogen anion nh-  
122 NH+ imidogen cation nh+  
123 PH- phosphorus monohydride anion ph-  
124 PH+ phosphorus monohydride cation ph+  
125 AsH Arsenic monohydride ash  
126 AsH+ Arsenic monohydride cation ash+  
127 SbH Antimony monohydride sbh  
128 NH2- amino anion nh2-  
129 NH2+ Amino cation nh2+  
130 PH2- Phosphino anion ph2-  
131 PH2+ Phosphino cation ph2+  
132 AsH2 Arsenic dihydride ash2  
133 AsH2+ Arsenic dihydride cation ash2+  
134 NH3- Ammonia anion nh3-  
135 NH3+ ammonia cation nh3+  
136 PH3+ Phosphine cation ph3+  
137 AsH3 Arsine ash3  
138 AsH3+ Arsine cation ash3+  
139 SbH3 Stibine sbh3  
140 AsH4+ Arsonium ash4+  
141 NH4 Ammonium radical nh4  
142 NH4+ ammonium cation nh4+  
143 PH4 Phosphoranyl radical ph4  
144 PH4+ phosphonium cation ph4+  
145 O- Oxygen atom anion o-  
146 S- Sulfur atom anion s-  
147 S+ Sulfur atom cation s+  
148 Cr Chromium atom cr  
149 Se- Selenium atom anion se-  
150 Se+ Selenium atom cation se+  
151 Te Tellurium atom te  
152 Te+ Tellurium atom cation te+  
153 OH- hydroxide anion oh-  
154 OH+ hydoxyl cation oh+  
155 HS- mercapto anion sh-  
156 HS+ sulfur monohydride cation sh+  
157 CrH Chromium hydride crh  
158 CrH+ Chromium hydride cation crh+  
159 HSe- selenium monohydride anion hse-  
160 HSe+ selenium monohydride cation hse+  
161 TeH Telluryl radical teh  
162 H2O- water anion h2o-  
163 H2O+ water cation h2o+  
164 H2S- Hydrogen sulfide anion h2s-  
165 H2S+ Hydrogen sulfide cation h2s+  
166 H2Se+ Hydrogen selenide cation h2se+  
167 H2Te Hydrogen Telluride h2te  
168 H3O+ hydronium cation h3o+  
169 H3S+ Sulfonium cation h3s+  
170 H3Se+ Hydrogen Selenide, protonated h3se+  
171 F- Fluorine atom anion f-  
172 Cl- Chlorine atom anion cl-  
173 Mn Manganese atom mn  
174 Br- Bromine atom anion br-  
175 Br+ Bromine atom cation br+  
176 I- Iodine atom anion iodine-  
177 I+ Iodine atom cation iodine+  
178 HF- hydrogen fluoride anion hf-  
179 HF+ hydrogen fluoride cation hf+  
180 HCl- hydrogen chloride anion hcl-  
181 HCl+ hydrogen chloride cation hcl+  
182 HBr- hydrogen bromide anion hbr-  
183 HBr+ hydrogen bromide cation hbr+  
184 HI+ Hydrogen iodide cation hi+  
185 H2F+ dihydrogen fluoride cation h2f+  
186 H2Cl+ dihydrogen monochloride cation h2cl+  
187 H2Br+ protonated hydrogen bromide h2br+  
188 H2I+ Iodonium h2i+  
189 Ne- Neon atom anion ne-  
190 Ar- Argon atom anion ar-  
191 Ar+ Argon atom cation ar+  
192 Fe Iron atom fe  
193 Kr Krypton atom kr  
194 Kr+ Krypton cation kr+  
195 Xe Xenon atom xe  
196 HeLi+ Helium Lithium cation heli+  
197 NeH neon hydrogen neh  
198 NeH+ neon hydrogen cation 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 anion li2-  
206 Li2+ lithium diatomic cation li2+  
207 NaLi- lithium sodium anion lina-  
208 NaLi+ lithium sodium cation lina+  
209 LiK Lithium Potassium lik  
210 Na2- sodium diatomic anion na2-  
211 Na2+ sodium diatomic cation na2+  
212 NaK Sodium Potassium nak  
213 NaK+ Sodium Potassium diatomic cation nak+  
214 K2 Potassium diatomic k2  
215 Cu2 Copper diatomic cu2  
216 LiBe Lithium Beryllium libe  
217 LiMg Lithium magnesium limg  
218 NaBe Sodium Beryllium nabe  
219 NaMg Sodium Magnesium namg  
220 Be2- Beryllium diatomic anion be2-  
221 Be2+ Beryllium diatomic cation be2+  
222 BeMg Beryllium Magnesium bemg  
223 Mg2- magnesium diatomic anion mg2-  
224 Mg2+ magnesium diatomic cation mg2+  
225 Ca2 Calcium diatomic ca2  
226 LiB Lithium boride lib  
227 LiAl Lithium Aluminum lial  
228 NaAl Sodium aluminum naal  
229 BeB Beryllium monoboride beb  
230 B2- Boron diatomic anion b2-  
231 B2+ Boron diatomic cation b2+  
232 BAl Boron Aluminum bal  
233 Al2- aluminum diatomic anion al2-  
234 Al2+ aluminum diatomic cation al2+  
235 BGa Boron Gallium bga  
236 AlGa Aluminum Gallium alga  
237 Ga2 Gallium diatomic ga2  
238 HBBH Diborane(2) hbbh  
239 LiBH4 Lithium borohydride libh4  
240 B2H4 Diborane(4) D2d b2h4  
241 HBHHBH Diborane(4) C2V hbhhbh  
242 B2H6+ Diborane cation b2h6  
243 Al2H6 dialane al2h6  
244 Ga2H6 digallane ga2h6  
245 LiC Lithium Carbide lic  
246 BeC Beryllium Carbide bec  
247 CaC Calcium monocarbide cac  
248 BC boron monocarbide bc  
249 BC- boron monocarbide anion bc-  
250 BC+ boron monocarbide cation bc+  
251 AlC Aluminum carbide alc  
252 BSi Boron silicide bsi  
253 C2- carbon diatomic anion c2-  
254 C2+ carbon diatomic cation c2+  
255 SiC silicon monocarbide sic  
256 SiC- silicon monocarbide anion sic-  
257 SiC+ silicon monocarbide cation sic+  
258 Si2- silcon diatomic anion si2-  
259 Si2+ silcon diatomic cation si2+  
260 GeC Germanium monocarbide gec  
261 SiGe Silicon Germanium sige  
262 Ge2 Germanium diatomic ge2  
263 C2H Ethynyl radical c2h  
264 C2H- Ethynyl anion c2h-  
265 C2H+ Ethynyl cation c2h+  
266 ZnCH2 Zinc methylene znch2  
267 C2H2+ acetylene cation c2h2+  
268 H2CC- vinylidene anion h2cc-  
269 HCCH- acetylene anion c2h2-  
270 Si2H2 disilyne si2h2  
271 CH3Li methyl lithium ch3li  
272 CuCH3 monomethyl copper cuch3  
273 ZnCH3 Zinc monomethyl znch3  
274 CH2BH methyleneborane ch2bh  
275 C2H3- vinyl anion c2h3-  
276 C2H3+ vinyl cation c2h3+  
277 C2H4- Ethylene anion c2h4-  
278 C2H4+ Ethylene cation c2h4+  
279 CH3CH methylmethylene ch3ch  
280 CH2SiH2 silaethylene ch2sih2  
281 Si2H4 Disilene si2h4  
282 CH3BH2 methylborane ch3bh2  
283 C2H5- Ethyl anion c2h5-  
284 C2H5+ Ethyl cation c2h5+  
285 C2H6+ ethane cation c2h6+  
286 GeH3CH3 methyl germane geh3ch3  
287 C2H7+ Ethane, protonated c2h7+  
288 LiN Lithium Nitride lin  
289 LiN+ Lithium Nitride cation lin+  
290 LiP Lithium monophosphide lip  
291 BeN Beryllium mononitride ben  
292 BeN- Beryllium mononitride anion ben-  
293 BeN+ Beryllium mononitride cation ben+  
294 MgN Magnesium Nitride mgn  
295 BN- boron nitride anion bn-  
296 AlN- aluminum mononitride anion aln-  
297 AlN+ aluminum mononitride cation aln+  
298 BP Boron monophosphide bp  
299 AlP Aluminum monophosphide alp  
300 GaN Gallium mononitride gan  
301 GaP Gallium monophosphide gap  
302 GaAs Gallium arsenide gaas  
303 BN+ boron nitride cation bn+  
304 CN- cyanide anion cn-  
305 CN+ Cyano cation cn+  
306 CP- carbon monophosphide anion cp-  
307 CP+ carbon monophosphide cation cp+  
308 SiN- silicon mononitride anion sin-  
309 SiN+ silicon mononitride cation sin+  
310 SiP Silicon monophosphide sip  
311 SiP- Silicon monophosphide anion sip-  
312 SiP+ Silicon monophosphide cation sip+  
313 TiN Titanium mononitride tin  
314 N2- nitrogen diatomic anion n2-  
315 N2+ diatomic nitrogen cation n2+  
316 PN- phosphorus nitride anion pn-  
317 PN+ phosphorus nitride cation pn+  
318 P2- phosphorus diatomic anion p2-  
319 P2+ phosphorus diatomic cation p2+  
320 AsN Arsenic mononitride asn  
321 AsP Arsenic monophosphide asp  
322 SbN Antimony nitride sbn  
323 As2 Arsenic diatomic as2  
324 HNB hydrogen nitrogen boron hnb  
325 HCN- Hydrogen cyanide anion hcn-  
326 HCN+ hydrogen cyanide cation hcn+  
327 HNC+ hydrogen isocyanide cation hnc+  
328 HCP+ Phosphaethyne cation hcp+  
329 NNH+ Dinitrogen monohydride cation nnh+  
330 HPO+ Hydrogen phosphorus oxide cation hpo+  
331 LiNH2 lithium amide linh2  
332 HBNH Boranimine hbnh  
333 CNH2 Aminomethylidyne radical cnh2  
334 CNH2+ N-protonated hydrogen isocyanide cnh2+  
335 H2CN Dihydrogen cyanide radical h2cn  
336 H2CN+ hydrocyanonium cation h2cn+  
337 HCNH methyleneazane hcnh  
338 HCNH+ N-protonated HCN hcnh+  
339 H2NN Isodiazene h2nn  
340 N2H2 (Z)-Diazene n2h2z  
341 N2H2+ trans-diazene cation n2h2+  
342 CH2NH+ Methanimine cation ch2nh+  
343 CHNH2 aminomethylene chnh2  
344 CHNH2+ Aminocarbene cation chnh2+  
345 BH2NH2 Boranamine bh2nh2  
346 CH2NH2+ methyleneamine cation ch2nh2+  
347 N2H4+ hydrazine cation n2h4+  
348 CH3NH2+ methyl amine cation ch3nh2+  
349 SiH3NH2 Silane, amino sih3nh2  
350 N2H5+ protonated hydrazine n2h5+  
351 BH3PH3 borane phosphine bh3ph3  
352 BH3NH3 borane ammonia bh3nh3  
353 CH3NH3 methyl ammonium radical ch3nh3  
354 CH3NH3+ protonated methylamine ch3nh3+  
355 CH3PH3+ methyl phosphine, protonated ch3ph3+  
356 N2H7+ ammonia ammonium dimer n2h7+  
357 LiO- lithium oxide anion lio-  
358 LiO+ lithium oxide cation lio+  
359 LiS Lithium monosulfide lis  
360 LiS+ Lithium sulfide cation lis+  
361 NaO- sodium oxide anion nao-  
362 NaO+ sodium oxide cation nao+  
363 KO Potassium monoxide ko  
364 KO+ Potassium monoxide cation ko+  
365 NaS Sodium sulfide nas  
366 LiSe Lithium monoselenide lise  
367 BeO- Beryllium monoxide anion beo-  
368 BeO+ Beryllium monoxide cation beo+  
369 MgO- magnesium oxide anion mgo-  
370 MgO+ magnesium oxide cation mgo+  
371 MgS magnesium sulfide mgs  
372 MgS- magnesium sulfide anion mgs-  
373 MgS+ magnesium sulfide cation mgs+  
374 CaS Calcium sulfide cas  
375 ZnO zinc monoxide zno  
376 ZnS Zinc sulfide zns  
377 BeS- Beryllium monosulfide anion bes-  
378 BeS+ Beryllium monosulfide cation bes+  
379 BO- boron monoxide anion bo-  
380 AlO- Aluminum monoxide anion alo-  
381 AlO+ aluminum monoxide cation alo+  
382 BS boron sulfide bs  
383 BS- boron monosulfide anion bs-  
384 BS+ boron monosulfide cation bs+  
385 AlS- aluminum monosulfide anion als-  
386 AlS+ aluminum monosulfide cation als+  
387 ScO Scandium monoxide sco  
388 GaO Gallium monoxide gao  
389 GaS Gallium monosulfide gas  
390 BO+ boron monoxide cation bo+  
391 CO- carbon monoxide anion co-  
392 CO+ carbon monoxide cation co+  
393 CS- carbon monosulfide anion cs-  
394 CS+ carbon monosulfide cation cs+  
395 SiO- silicon monoxide anion sio-  
396 SiO+ silicon monoxide cation sio+  
397 SiS- silicon monosulfide anion sis-  
398 SiS+ silicon monosulfide cation sis+  
399 TiO Titanium monoxide tio  
400 CSe Carbon monoselenide cse  
401 CSe- Carbon monoselenide anion cse-  
402 CSe+ Carbon monoselenide cation cse+  
403 GeO Germanium monoxide geo  
404 GeO+ Germanium monoxide cation geo+  
405 GeS Germanium monosulfide ges  
406 SiSe Silicon Monoselenide sise  
407 SiSe+ Silicon Monoselenide cation sise+  
408 GeSe Germanium monoselenide gese  
409 NO- nitric oxide anion no-  
410 NO+ nitric oxide cation no+  
411 NS- nitrogen sulfide anion ns-  
412 NS+ nitrogen sulfide cation ns+  
413 PO- phosphorus monoxide anion po-  
414 PO+ phosphorus monoxide cation po+  
415 PS phosphorus sulfide ps  
416 PS- phosphorus monosulfide anion ps-  
417 PS+ phosphorus monosulfide cation ps+  
418 VO Vanadium monoxide vo  
419 AsO Arsenic monoxide aso  
420 NSe Nitrogen monoselenide nse  
421 AsS Arsenic monosulfide ass  
422 PSe Phosphorus monoselenide pse  
423 AsSe Arsenic monoselenide asse  
424 O2- oxygen diatomic anion o2-  
425 O2-- dioxygen dianion o2--  
426 SO- sulfur monoxide anion so-  
427 SO+ sulfur monoxide cation so+  
428 S2- sulfur diatomic anion s2-  
429 S2+ sulfur diatomic cation s2+  
430 SeO- selenium monoxide anion seo-  
431 SeO+ selenium monoxide cation seo+  
432 SeS Selenium monosulfide ses  
433 SeS- selenium monosulfide anion ses-  
434 SeS+ selenium monosulfide cation ses+  
435 TeO Tellurium monoxide teo  
436 Se2- selenium diatomic anion se2-  
437 Se2+ selenium diatomic cation se2+  
438 Te2 Tellurium diatomic te2  
439 KOH Potassium hydroxide koh  
440 CaOH Calcium monohydroxide caoh  
441 COH Hydroxymethylidyne coh  
442 COH+ Carbon Monoxide, protonated coh+  
443 HCO- formyl anion hco-  
444 HCO+ Formyl cation hco+  
445 HCS- Thioformyl anion hcs-  
446 HCS+ Thioformyl cation hcs+  
447 HNO- Nitrosyl hydride anion hno-  
448 HNO+ Nitrosyl hydride cation hno+  
449 NOH Hydroxyimidogen noh  
450 NOH+ O-protonated nitric oxide noh+  
451 HNS Sulfur imide hns  
452 HNS- Sulfur imide anion hns-  
453 HO2- Hydroperoxy anion ho2-  
454 HO2+ Hydroperoxy cation ho2+  
455 HSO+ Sulfur Monoxide, S-protonated HSO+  
456 SOH Sulfur Hydroxide soh  
457 SOH+ Sulfur Monoxide, protonated soh+  
458 HS2 Thiosulfeno radical hs2  
459 H2CO- formaldehyde anion h2co-  
460 H2CO+ formaldehyde cation h2co+  
461 HOCH hydroxycarbene hoch  
462 H2CS- thioformaldehyde anion h2cs-  
463 H2CS+ thioformaldehyde cation h2cs+  
464 H2CSe Selenoformaldehyde h2cse  
465 H2NO nitroxide h2no  
466 H2O2+ Hydrogen peroxide cation h2o2+  
467 H2OO water oxide h2oo  
468 HOSH hydrogen thioperoxide hosh  
469 H2S2+ hydrogen disulfide cation h2s2+  
470 H2Se2 hydrogen diselenide h2se2  
471 CH2OH+ hydroxymethyl cation ch2oh+  
472 CH3O- methoxy anion ch3o-  
473 CH3O+ Methoxy cation ch3o+  
474 CH3S thiomethoxy ch3s  
475 H2CSH+ Thioformaldehyde, protonated h2csh+  
476 NH2OH+ Hydroxylamine cation nh2oh+  
477 NH3O Ammonia Oxide nh3o  
478 H2POH Phosphinous acid h2poh  
479 H3PO Phosphine oxide h3po  
480 NH2SH Thiohydroxylamine nh2sh  
481 NH3S sulfidoazane nh3s  
482 H3O2+ hydrogen peroxide, protonated h3o2+  
483 CH3OH- Methyl alcohol anion ch3oh-  
484 CH3OH+ Methyl alcohol cation ch3oh+  
485 CH3SH+ Methanethiol cation ch3sh+  
486 SiH3OH silanol sih3oh  
487 NH2OH2+ protonated hydroxylamine nh2oh2+  
488 NH3OH+ N-protonated hydroxylamine nh3oh+  
489 CH3OH2+ Methanol, protonated ch3oh2+  
490 CH3SH2+ protonated methylsulfide ch3sh2+  
491 H5O2+ Dihydroxonium ion h5o2+  
492 LiCl- lithium chloride anion licl-  
493 LiCl+ lithium chloride cation licl+  
494 NaF- sodium fluoride anion naf-  
495 NaF+ sodium fluoride cation naf+  
496 NaCl- sodium chloride anion nacl-  
497 NaCl+ sodium chloride cation nacl+  
498 LiBr Lithium Bromide libr  
499 LiBr- lithium bromide anion libr-  
500 LiBr+ lithium bromide cation libr+  
501 NaBr- sodium bromide anion nabr-  
502 NaBr+ sodium bromide cation nabr+  
503 LiI Lithium Iodide lii  
504 NaI Sodium Iodide nai  
505 KI Potassium Iodide ki  
506 LiF- lithium fluoride anion lif-  
507 LiF+ lithium fluoride cation lif+  
508 BeF- Beryllium monofluoride anion bef-  
509 BeF+ Beryllium monofluoride cation bef+  
510 MgF- magnesium fluoride anion mgf-  
511 MgF+ magnesium fluoride cation mgf+  
512 CaF Calcium monofluoride caf  
513 MgCl magnesium monochloride mgcl  
514 MgCl- magnesium monochloride anion mgcl-  
515 MgCl+ magnesium monochloride cation mgcl+  
516 CaCl calcium monochloride cacl  
517 TiCl Titanium Monochloride ticl  
518 ZnF Zinc monofluoride znf  
519 ZnF- Zinc monofluoride anion znf-  
520 ZnF+ Zinc monofluoride cation znf+  
521 ZnCl Zinc monochloride zncl  
522 CaBr Calcium monobromide cabr  
523 BeCl- beryllium monochloride anion becl-  
524 BeCl+ beryllium monochloride cation becl+  
525 BF- Boron monofluoride anion bf-  
526 BF+ Boron monofluoride cation bf+  
527 AlF- Aluminum monofluoride anion alf-  
528 AlF+ Aluminum monofluoride cation alf+  
529 BCl- boron monochloride anion bcl-  
530 BCl+ boron monochloride cation bcl+  
531 AlCl Aluminum monochloride alcl  
532 AlCl- aluminum monochloride anion alcl-  
533 AlCl+ aluminum monochloride cation alcl+  
534 ScF Scandium monofluoride scf  
535 BBr Boron monobromide bbr  
536 GaF Gallium monofluoride gaf  
537 GaF+ Gallium monofluoride cation gaf+  
538 AlBr Aluminum monobromide albr  
539 GaCl Gallium monochloride gacl  
540 GaCl+ Gallium monochloride cation gacl+  
541 AlI Aluminum monoiodide ali  
542 GaBr Gallium monobromide gabr  
543 CF- carbon monofluoride anion cf-  
544 CF+ carbon monofluoride cation cf+  
545 CCl- carbon monochloride anion ccl-  
546 CCl+ carbon monochloride cation ccl+  
547 SiF silicon monofluoride sif  
548 SiF- silicon monofluoride anion sif-  
549 SiF+ silicon monofluoride cation sif+  
550 SiCl- silicon monochloride anion sicl-  
551 SiCl+ silicon monochloride cation sicl+  
552 CBr Carbon monobromide cbr  
553 GeF Germanium monofluoride gef  
554 GeF+ Germanium monofluoride cation gef+  
555 GeCl Germanium monochloride gecl  
556 GeCl+ Germanium monochloride cation gecl+  
557 SiBr Silicon monobromide sibr  
558 SiBr+ Silicon monobromide cation sibr+  
559 NF nitrogen fluoride nf  
560 NF- nitrogen monofluorine anion nf-  
561 NF+ nitrogen monofluoirde cation nf+  
562 NCl nitrogen monochloride ncl  
563 NCl- nitrogen monochloride anion ncl-  
564 NCl+ nitrogen monochloride cation ncl+  
565 PF- phosphorus monofluoride anion pf-  
566 PF+ phosphorus monofluoride cation pf+  
567 PCl- phosphorus monochloride anion pcl-  
568 PCl+ phosphorus monochloride cation pcl+  
569 AsF Arsenic monofluoride asf  
570 NBr nitrogen monobromide nbr  
571 AsCl Arsenic monochloride ascl  
572 PBr Phosphorus monobromide pbr  
573 SbF Antimony monofluoride sbf  
574 SbCl Antimony monochloride sbcl  
575 FO- flourine oxide anion fo-  
576 FO+ fluorine monoxide cation fo+  
577 ClO- chlorine monoxide anion clo-  
578 ClO+ chlorine monoxide cation clo+  
579 SF- sulfur monofluoride anion sf-  
580 SF+ sulfur monofluoride cation sf+  
581 SCl- sulfur monochloride anion scl-  
582 SCl+ sulfur monochloride cation scl+  
583 BrO Bromine monoxide bro  
584 BrO- Bromine monoxide anion bro-  
585 BrO+ Bromine monoxide cation bro+  
586 SeF Selenium monofluoride sef  
587 SBr Sulfur monobromide radical sbr  
588 SBr+ Sulfur monobromide cation sbr+  
589 SeCl Selenium monochloride secl  
590 IO Iodine monoxide io  
591 SeBr Selenium monobromide sebr  
592 F2- flourine diatomic anion f2-  
593 F2+ flourine diatomic cation f2+  
594 ClF- clorine monofluoride anion clf-  
595 ClF+ clorine monofluoride cation clf+  
596 Cl2- chlorine diatomic anion cl2-  
597 Cl2+ chlorine diatomic cation cl2+  
598 BrF- bromine fluoride anion brf-  
599 BrF+ bromine fluoride cation brf+  
600 BrCl- bromine chloride anion brcl-  
601 BrCl+ bromine chloride cation brcl+  
602 Br2- bromine diatomic anion br2-  
603 Br2+ bromine diatomic cation br2+  
604 I2 Iodine diatomic i2  
605 I2+ Iodine diatomic cation i2+  
606 HCCl Chloromethylene hccl  
607 HSiF fluorosilylene hsif  
608 HSiCl Chlorosilylene hsicl  
609 HSiBr monobromosilylene hsibr  
610 CHBr bromomethylene chbr  
611 HOCl+ hypochlorous acid cation hocl+  
612 HOBr+ Hypobromous acid cation hobr+  
613 HOI Hypoiodous acid hoi  
614 F2H+ Fluorine, protonated f2h+  
615 FHF Hydrogen difluoride fhf  
616 FHF- Hydrogen difluoride anion fhf-  
617 ClFH+ Chlorine fluoride, F-protonated clfh+  
618 FClH+ Chlorine fluoride, Cl-protonated fclh+  
619 Cl2H+ Chlorine, protonated cl2h+  
620 CH2Br bromomethyl radical ch2br  
621 CH2F fluoromethyl radical ch2f  
622 CH2F+ fluoromethyl cation ch2f+  
623 CH2Cl+ chloromethyl cation ch2cl+  
624 CH2Cl chloromethyl radical ch2cl  
625 NH2F monofluoroamine nh2f  
626 NH2Cl chloramine nh2cl  
627 H2F2 Hydrogen fluoride dimer h2f2  
628 CH3F+ methyl fluoride cation ch3f+  
629 CD3F methylfluoride-d3 cd3f  
630 CD3Cl methyl chloride d3 cd3cl  
631 CH3Cl+ Methyl chloride cation ch3cl+  
632 GeH3F monofluorogermane geh3f  
633 GeH3Cl monochlorogermane geh3cl  
634 SiH3Br bromosilane sih3br  
635 SiH3I Silyl Iodide sih3i  
636 NH3Cl+ protonated monochloroammonia nh3cl+  
637 CH3ClH+ methyl chloride, protonated ch3clh+  
638 NH4Cl Ammonium chloride nh4cl  
639 LiNe+ Lithium Neon cation line+  
640 Ne2 Neon diatomic ne2  
641 Ne2+ Neon diatomic cation ne2+  
642 Ar2 Argon diatomic ar2  
643 Ar2+ Argon diatomic cation ar2+  
644 Li3 Lithium trimer li3  
645 Li3+ Lithium trimer cation li3+  
646 C3+ carbon trimer cation c3+  
647 SiC2 Silicon dicarbide sic2  
648 C3H3 cyclopropenyl radical cpr  
649 C3H3- Propargyl anion c3h3-  
650 C3H3+ cyclopropenyl cation cpr+  
651 C3H3+ Propargyl cation c3h3+  
652 C3H5+ Allyl cation allyl+  
653 CH3CHCH 1-propenyl radical ch3chch  
654 Zn(CH3)2 dimethyl zinc dmz  
655 C3H7+ cyclopropane, protonated c3h7+  
656 CH3CHCH3+ Isopropyl cation prop2yl+  
657 Si3H8 trisilane si3h8  
658 LiCN lithium cyanide licn  
659 NaCN Sodium Cyanide nacn  
660 KCN Potassium cyanide kcn  
661 CuCN Copper cyanide cucn  
662 ZnCN Zinc monocyanide zncn  
663 ZnNC Zinc isocyanide znnc  
664 AlCN Aluminum monocyanide alcn  
665 AlNC Aluminum isocyanide alnc  
666 CN2 3H-Diazirin-3-ylidene cn2  
667 CNN Diazocarbene cnn  
668 NCN Cyanoimidogen ncn  
669 N3 azide radical n3  
670 N3- azide anion n3-  
671 N3+ azide cation n3+  
672 HCCN cyanomethylene hccn  
673 HCNN diazomethyl radical hcnn  
674 HN3+ Hydrazoic acid cation hn3+  
675 HNCNH diiminomethane hncnh  
676 CH2N2 diazirine ch2n2  
677 HNNNH+ 1,2-Triazadienium n2h3+  
678 NH2NN+ hydrazoic acid, protonated nh2nn+  
679 CH3CN- acetonitrile anion ch3cn-  
680 CH3CN+ Acetonitrile cation ch3cn+  
681 CHNCH2 2H-Azirine c157164  
682 CHNHCH 1H-Azirine chnhch  
683 H2CCNH Ethenimine ch2cnh  
684 H2CNCH methyleneaminomethylene ch2nch  
685 HCCNH2 Ethynamine hccnh2  
686 HCNCH2+ 2H-Azirine cation hcnch2+  
687 HNCNH2+ diiminomethane, protonated hncnh2+  
688 NCNH3+ Cyanamide, protonated ncnh3+  
689 NH2CNH+ cyanamide, cn protonated nh2cnh+  
690 NH3CN+ cyanamide, amine protonated nh3cn+  
691 CH2CHNH vinylazine ch2chnh  
692 CH3CHN methylmethaniminyl radical ch3chn  
693 CH2CHNH2 aminoethene aminoethene  
694 CH2NCH3 N-methylmethanimine nmm  
695 CH3CHNH ethanimine ethanimine  
696 NH2BHNH2 diaminoborane nh2bhnh2  
697 C2H5NH+ Protonated Aziridine c2h5nh+  
698 C2H6N+ aziridine, protonated c2h6n+  
699 NH2CH2NH2 diaminomethane nh2ch2nh2  
700 CH3PHCH3 dimethylphosphine ch3phch3  
701 NH2CH2NH3+ diaminoethane, protonated pdam  
702 (CH3)2NH2+ dimethylammonium cation dmam  
703 CH3CH2NH3+ ethylamine, protonated pea  
704 Li2O dilithium oxide li2o  
705 Li2O+ dilithium oxide cation li2o+  
706 Li2S dilithium sulfide li2s  
707 Na2O disodium monoxide na2o  
708 Na2S Sodium sulfide na2s  
709 LiO2 Lithium dioxide lio2  
710 NaO2 Sodium superoxide nao2  
711 CCO Dicarbon monoxide cco  
712 CNO- fulminate cno-  
713 NCO isocyanato radical nco  
714 NCO- cyanate nco-  
715 SCN thiocyanato radical scn  
716 SCN- thiocyanide anion scn-  
717 BO2- Boron dioxide anion bo2-  
718 BO2+ Boron dioxide cation bo2+  
719 N2O- Nitrous oxide anion n2o-  
720 N2O+ Nitrous oxide cation n2o+  
721 NNS Nitrogen sulfide nns  
722 PPO Phosphorus oxide phosphide ppo  
723 CO2- Carbon dioxide anion co2-  
724 CO2+ Carbon dioxide cation co2+  
725 OCS+ Carbonyl sulfide cation cos+  
726 CS2- Carbon disulfide anion cs2-  
727 CS2+ Carbon disulfide cation cs2+  
728 TiO2 Titanium dioxide tio2  
729 SiS2 Silicon disulfide sis2  
730 GeO2 Germanium dioxide geo2  
731 SCSe Carbon sulfide selenide scse  
732 GeS2 Germanium disulfide ges2  
733 CSe2 Carbon diselenide cse2  
734 SCTe Carbon sulfide Telluride scte  
735 NO2- Nitrogen dioxide anion no2-  
736 NO2+ Nitrogen dioxide cation no2+  
737 NSO sulfinyl amidogen NSO  
738 PO2- Phosphorus dioxide anion po2-  
739 PO2+ Phosphorus dioxide cation po2+  
740 SNO Nitrogen oxide sulfide sno  
741 AsO2 Aresenic dioxide aso2  
742 O3- Ozone anion o3-  
743 O3+ Ozone cation o3+  
744 SO2- Sulfur dioxide anion so2-  
745 SO2+ Sulfur dioxide cation so2+  
746 S3- Sulfur trimer anion s3-  
747 S3+ Sulfur trimer cation s3+  
748 SeO2+ Selenium dioxide cation seo2+  
749 TeO2 Tellurium Dioxide teo2  
750 CS2H+ Carbon disulfide, protonated cs2h+  
751 HNCS Isothiocyanic acid hncs  
752 HSCN thiocyanic acid hscn  
753 HCO2- formate anion hco2-  
754 HNNO nitrosoazane hnno  
755 HNNO+ Nitrous oxide, N-protonated hnno+  
756 NNOH+ Nitrous Oxide, O-protonated nnoh+  
757 HCOO formate neutral radical hcoo  
758 HOCO Hydrocarboxyl radical hoco  
759 HOCO+ Hydrocarboxyl cation hoco+  
760 HNO2+ nitrous acid cation hno2+  
761 O3H+ protonated ozone o3h+  
762 SO2H+ protonated sulfur dioxide so2h+  
763 C2H2O Oxirene oxirene  
764 CH2CO+ Ketene cation ch2co+  
765 CH2CS Thioketene ch2cs  
766 Be(OH)2 Beryllium hydroxide beo2h2  
767 Mg(OH)2 Magnesium dihydroxide h2mgo2  
768 NH2NO Nitrosamide nh2no  
769 H2COO Dioxymethyl radical h2coo  
770 H2COO+ dioxymethyl cation h2coo+  
771 H2O3 Hydrogen trioxide h2o3  
772 HSSSH trisulfane hsssh  
773 NaOCH3 Sodium methoxide naoch3  
774 CH2BOH hydroxy(methylene)borane ch2boh  
775 BH3CO Borane carbonyl bh3co  
776 CH3BO Borane, methyloxo- ch3bo  
777 CH2CHO Vinyloxy radical ch2cho  
778 CH2COH+ ketene, protonated ch2coh+  
779 CH3CO- Acetyl anion ch3co-  
780 CH3CO+ acetyl cation ch3co+  
781 CH2NOH formaldoxime ch2noh  
782 CH3NO nitrosomethane ch3no  
783 CNOH3 1,2-oxaziridine cnoh3  
784 HOCHNH hydroxymethylimine hochnh  
785 CHSNH2 thioformamide chsnh2  
786 NHCHSH Methanimidothioic acid nhchsh  
787 CH2OOH CH2OOH radical ch2ooh  
788 CH3OO- methylperoxy anion ch3oo-  
789 CH3OO+ methylperoxy cation ch3oo+  
790 C2H4O+ ethylene oxide cation c2h4o+  
791 CH3CHO+ acetaldehyde cation ch3cho+  
792 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
793 CH2CHSH Ethenethiol ch2chsh  
794 H2CONH2+ protonated formamide h2conh2+  
795 NH2CHOH+ Formamide, O-protonated nh2choh+  
796 NH3CHO+ Formamide, N-Protonated nh3cho+  
797 CH2(OH)2 methanediol ch2o2h2  
798 CH3SSH Hydrogen methyl disulfide ch3ssh  
799 HSCH2SH Methanedithiol ch4s2  
800 H2OH2CO water formaldehyde dimer h2oh2co  
801 C2H4OH+ ethylene oxide, protonated c2h4oh+  
802 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
803 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
804 CH3CHOH+ acetaldehyde, protonated ch3choh+  
805 CH3OCH2 methoxymethyl radical ch3och2  
806 NH2CH2OH aminomethanol nh2ch2oh  
807 CH3SCH3+ dimethyl sulfide cation mesme+  
808 CH3SeCH3 dimethylselenide dmse  
809 CH3OHH2O methanol water dimer ch3ohh2o  
810 CuF2 Copper difluoride cuf2  
811 ZnF2 Zinc difluoride znf2  
812 CNF iso cyanogen fluoride cnf  
813 ICN Cyanogen iodide icn  
814 FBO Boron monofluoride monoxide fbo  
815 BeF2 Beryllium fluoride bef2  
816 MgF2 Magnesium fluoride mgf2  
817 BeCl2 Beryllium chloride becl2  
818 CaCl2 Calcium Chloride cacl2  
819 ZnCl2 Zinc dichloride zncl2  
820 BeBr2 Beryllium bromide bebr2  
821 CaBr2 Calcium dibromide cabr2  
822 FCO Carbonyl fluoride fco  
823 FCO+ Carbonyl fluoride cation fco+  
824 ClCO carbonyl monochloride clco  
825 BF2 Boron difluoride radical bf2  
826 FNS Thionitrosyl fluoride fns  
827 FSN Thiazyl fluoride fsn  
828 OPCl Phosphorus oxychloride opcl  
829 BrNO Nitrosyl bromide brno  
830 INO Nitrosyl iodide ino  
831 CF2- Difluoromethylene anion cf2-  
832 CF2+ Difluoromethylene cation cf2+  
833 CFCl chlorofluoromethylene cfcl  
834 SiF2 Silicon difluoride sif2  
835 SiF2+ Silicon difluoride cation sif2+  
836 CCl2- dichloromethylene anion ccl2-  
837 CCl2+ dichloromethylene cation ccl2+  
838 GeF2 Germanium difluoride gef2  
839 GeCl2 Germanium dichloride gecl2  
840 CBr2 dibromomethylene cbr2  
841 FOO+ Fluorine dioxide cation foo+  
842 ClOO+ chloroperoxy cation cloo+  
843 OClO- Chlorine dioxide anion oclo-  
844 OClO+ Chlorine dioxide cation oclo+  
845 ClSO Sulfur chloride oxide clso  
846 BrOO Bromine dioxide broo  
847 OBrO Bromine dioxide radical obro  
848 NF2+ Difluoroamino cation nf2+  
849 PF2 Phosphorus difluoride pf2  
850 PF2+ Phosphorus difluoride cation pf2+  
851 FClO chlorosyl fluoride fclo  
852 ClOF Chlorine hypofluorite clof  
853 SF2- sulfur difluoride anion sf2-  
854 SF2+ sulfur difluoride cation sf2+  
855 SeF2 Selenium difluoride sef2  
856 BrOCl Bromine hypochlorite brocl  
857 SeCl2 Selenium Dichloride secl2  
858 SBr2 Sulfur dibromide sbr2  
859 SeBr2 Selenium dibromide sebr2  
860 BrOBr Bromine oxide brobr  
861 F3- trifluoride anion f3-  
862 Cl3- trichloride anion cl3-  
863 Br3- tribromide anion br3-  
864 I3- triiodide i3-  
865 SFCl Sulfur chloride fluoride sfcl  
866 HCCF+ fluoroacetylene cation hccf+  
867 HCCCl Chloroacetylene hcccl  
868 HCCBr bromoacetylene hccbr  
869 HFCO+ formyl fluoride cation hfco+  
870 COHCl Formyl chloride cohcl  
871 COHBr Formyl bromide cohbr  
872 CHCl2 dichloromethyl radical chcl2  
873 CHF2 difluoromethyl radical chf2  
874 CHF2+ difluoromethyl cation chf2+  
875 CHFCl Chlorofluoromethyl radical chfcl  
876 CHFCl+ Chlorofluoromethyl cation chfcl+  
877 CHCl2+ dichloromethyl cation chcl2+  
878 CHBr2 dibromomethyl radical chbr2  
879 HOClO Chlorous acid hoclo  
880 NHF2 difluoramine nhf2  
881 NHCl2 dichloroamine nhcl2  
882 SiH2F2 difluorosilane sih2f2  
883 CH2BrF Methane, bromofluoro- ch2fbr  
884 CH2BrCl Methane, bromochloro- ch2clbr  
885 CH2FI fluoroiodomethane ch2fi  
886 CH2ClI chloroiodomethane ch2cli  
887 CH2BrI bromoiodomethane ch2bri  
888 CH2I2 Diiodomethane ch2i2  
889 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
890 CH2CHF+ fluoroethene cation ch2chf+  
891 C2H3I Vinyl iodide c2h3i  
892 CH2FOH fluoromethanol ch2foh  
893 CH3OCl methyl hypochlorite ch3ocl  
894 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
895 CHClCH3 1-chloroethyl radical chclch3  
896 CH3SiFH2 fluoromethylsilane ch3sifh2  
897 C2H5I Ethyl iodide c2h5i  
898 KrF2 Krypton difluoride krf2  
899 XeF2 Xenon difluoride xef2  
900 B4H10 Tetraborane(10) b4h10  
901 C4+ Carbon tetramer cation c4+  
902 C4H2+ diacetlyene cation c4h2+  
903 C4H4 cyclobutadiene cbd  
904 C4H4 Tetrahedrane c4h4  
905 CHCCH2CH3 1-Butyne c107006  
906 CH3CHCHCH2 methylallyl radical c4h7  
907 C4H8 methylcyclopropane mcp  
908 CH2CHCH2CH3 1-Butene bute1  
909 B(CH3)3 trimethylborane bme3  
910 SiH(CH3)3 trimethylsilane trimsi  
911 Li3N trilithium nitride li3n  
912 C2N2+ Cyanogen cation c2n2+  
913 As4 Arsenic tetramer as4  
914 HCCCN+ Cyanoacetylene cation hcccn+  
915 H2CNCN cyanamide, methylene ch2ncn  
916 HNCCNH Ethenediimine hnccnh  
917 C3H3N+ acrylonitrile cation ch2chcn+  
918 CH3N3 methyl azide ch3n3  
919 NH2CCNH2 Diaminoacetylene daa  
920 NH2CH2CN Aminoacetonitrile aan  
921 CH3NHN2+ methyl azide, protonated ch3nhn2+  
922 C2H5CN ethyl cyanide c2h5cn  
923 CH5N3 Guanidine guanidine  
924 C4H6 Bicyclo[1.1.0]butane c157335  
925 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
926 H2NCHCHNH2 diaminoethylene dae  
927 CH6N3+ guanidinium ch6n3+  
928 CH7N3 triaminomethane tam  
929 C3H7N Azetidine azet  
930 CH3NHNHCH3 dimethyl hydrazine dmh  
931 P(CH3)3 trimethylphosphine tmp  
932 N(SiH3)3 trisilylamine tsa  
933 As(CH3)3 trimethyl arsine tmas  
934 (CH3)3NH+ protonated trimethyl amine ptma  
935 C3H7NH3+ n-propylamine, protonated c3h7nh2  
936 Li2O2 dilithium dioxide li2o2  
937 Na2O2 disodium dioxide na2o2  
938 K2O2 dipotassium dioxide k2o2  
939 C3O Tricarbon monoxide c3o  
940 S2N2 Disulfur dinitride s2n2  
941 CO3 Carbon trioxide co3  
942 CO3-- carbonate co3--  
943 CS3-- Carbonotrithioate cs3--  
944 NO3- nitrate anion no3-  
945 NO3+ nitrogen trioxide cation no3+  
946 SO3- Sulfur trioxide anion so3-  
947 SO3-- Sulfate dianion so3--  
948 SO3+ Sulfur trioxide cation so3+  
949 SeO3 selenium trioxide seo3  
950 S4 Sulfur tetramer s4  
951 TeO3 Tellurium trioxide teo3  
952 HCO3- bicarbonate anion hco3-  
953 HSO3 Hydroxysulfonyl radical hso3  
954 NH2NO2 nitramide nh2no2  
955 C2H2CO cyclopropenone c2h2co  
956 C3H2O Propadienal c3h2o  
957 HCCCHO 2-propynal hcccho  
958 C2H2O2+ Ethanedial cation c2h2o2+  
959 H2CO3 Carbonic acid h2co3  
960 H2CS3 thiocarbonic acid h2cs3  
961 H2NO3+ Nitric Acid, Protonated h2no3+  
962 H2SO3 Sulfurous acid h2so3  
963 C2H3NO Nitrosoethylene c2h3no  
964 CH3NCO methylisocyante ch3nco  
965 HOCH2CN cyanomethanol hoch2cn  
966 CH3COO- acetate anion ch3coo-  
967 CH3NO2 Methane, nitro- ch3no2  
968 NH2COOH Carbamic acid nh2cooh  
969 H3BO3 Boric acid h3bo3  
970 H3AlO3 Aluminum hydroxide h3alo3  
971 H3CO3+ carbonic acid, protonated h3co3+  
972 NH2CONH2+ Urea cation urea+  
973 C2H4O2 1,3-dioxetane c2h4o2  
974 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
975 NH3COOH+ protonated Carbamic acid nh3cooh+  
976 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
977 CH3COCH2 Acetonyl radical ch3coch2  
978 CH2C(OH)NH2 1-amino vinyl alchohol ava  
979 CH3C(OH)=NH Ethaninidic acid eia  
980 HCONHCH3 N-methylformamide nmfa  
981 CH3CSNH2 Ethanethioamide ch3csnh2  
982 CH5N2O+ urea, N-protonated ch4n2o+  
983 H2NCOHNH2+ urea, protonated ureah+  
984 C2H5OO ethylperoxy radical c2h5oo  
985 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
986 C3H5OH Cyclopropanol cproh  
987 C3H6O 2-Propen-1-ol c107186  
988 C3H6O Acetone enol enol  
989 C3H6O Oxetane oxetane  
990 CH3COCH3- acetone anion ch3coch3-  
991 CH3CSCH3 Thioacetone ch3csch3  
992 C2H6O2 1,2-Ethanediol ethdiol  
993 CH3OOCH3 dimethylperoxide dmp  
994 CH3SOCH3 Dimethyl sulfoxide dmso  
995 CH3COHCH3+ acetone, protonated acetoneh+  
996 HOCH2CH2NH2 monoethanolamine mea  
997 C3H7OH 1-Propanol proh  
998 CH3OC2H5 Ethane, methoxy- etome  
999 Li2F2 Lithium fluoride dimer li2f2  
1000 Na2F2 Sodium Fluoride Dimer na2f2  
1001 Na2Cl2 Disodium dichloride na2cl2  
1002 C2Cl2+ dichloroacetylene cation c2cl2+  
1003 FNO2 Nitryl fluoride fno2  
1004 FONO Nitrosyl hypofluorite fono  
1005 ClONO chlorine nitrite clono  
1006 BrONO Bromine nitrite brono  
1007 CF2O+ Carbonic difluoride cation f2co+  
1008 COFCl Carbonic chloride fluoride cofcl  
1009 Cl2CS Thiophosgene cl2cs  
1010 COBr2 Carbonic dibromide cobr2  
1011 BF3- Borane, trifluoro- anion bf3-  
1012 BF3+ boron trifluoride cation bf3+  
1013 BClF2 Chlorodifluoroborane bclf2  
1014 ScF3 Scandium trifluoride ScF3  
1015 BCl3+ Boron Trichloride cation bcl3+  
1016 GaF3 Gallium trifluoride gaf3  
1017 GaCl3 Gallium trichloride gacl3  
1018 BBr3 Boron tribromide bbr3  
1019 AlBr3 Aluminum Bromide albr3  
1020 ClO3 Chlorine trioxide clo3  
1021 ClO3- chlorate anion clo3-  
1022 BrO3- Bromate anion bro3-  
1023 CF3- Trifluoromethyl anion cf3-  
1024 CF3+ Trifluoromethyl cation cf3+  
1025 CF2Cl difluorochloromethyl radical cf2cl  
1026 SiF3 Silicon trifluoride radical sif3  
1027 SiF3+ Silicon trifluoride cation sif3+  
1028 CFCl2 dichlorofluoromethyl radical cfcl2  
1029 CCl3- Trichloromethyl anion ccl3-  
1030 CCl3+ Trichloromethyl cation ccl3+  
1031 SiCl3 trichlorosilyl radical sicl3  
1032 SiCl3+ trichlorosilyl cation sicl3+  
1033 CBr3 tribromomethyl radical cbr3  
1034 FOOF Perfluoroperoxide foof  
1035 ClO2F Chloryl fluoride clo2f  
1036 F2SO Thionyl Fluoride f2so  
1037 ClOOCl Dichlorine dioxide cloocl  
1038 FSSF Difluorodisulfane fssf  
1039 S2F2 Thio-thionyl fluoride s2f2  
1040 SSCl2 Thiothionyl chloride sscl2  
1041 SeOCl2 selenium oxychloride seocl2  
1042 NF3- Nitrogen trifluoride anion nf3-  
1043 NF3+ Nitrogen trifluoride cation nf3+  
1044 NCl3 nitrogen trichloride ncl3  
1045 AsF3 Arsenic trifluoride asf3  
1046 SbF3 Antimony Trifluoride sbf3  
1047 AsCl3 Arsenous trichloride ascl3  
1048 SbCl3 Antimony Trichloride sbcl3  
1049 NBr3 Nitrogen Tribromide nbr3  
1050 PBr3 Phosphorus tribromide pbr3  
1051 AsBr3 Arsenic tribromide asbr3  
1052 NI3 Nitrogen triiodide ni3  
1053 PI3 Phosphorus triiodide pi3  
1054 SF3 Sulfur trifluoride sf3  
1055 ClF3 Chlorine trifluoride clf3  
1056 IF3 iodone trifluoride if3  
1057 HClO3 Chloric Acid hclo3  
1058 SiHF3 trifluorosilane sihf3  
1059 CDCl3 trichloromethane-d cdcl3  
1060 CHBrF2 Methane, bromodifluoro- chbrf2  
1061 CHFClBr fluorochlorobromomethane chfclbr  
1062 CHBrCl2 Methane, bromodichloro- chbrcl2  
1063 CHF2I difluoroiodomethane chf2i  
1064 CHBr2F dibromofluoromethane chbr2f  
1065 CHFClI fluorochloroiodomethane chfcli  
1066 CHCl2I dichloroiodomethane chcl2i  
1067 CHClBr2 Methane, dibromochloro- chclbr2  
1068 CHI3 Iodoform chi3  
1069 NF3H+ protonated nitrogen trifluoride nf3h+  
1070 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1071 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1072 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1073 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1074 C2H2Br2 1,1-dibromoethene c2h2br2  
1075 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1076 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1077 CH2FCHO Fluoroacetaldehyde ch2fcho  
1078 CH2ClCHO chloroacetaldehyde ch2clcho  
1079 C2H4F2 1,2-difluoroethane c2h4f2  
1080 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1081 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1082 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1083 CH2CFCH3 2-fluoropropene 2fpro  
1084 CH2CHCH2F Allyl Fluoride allylf  
1085 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1086 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1087 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1088 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1089 CH2FCH2CH3 1-Fluoropropane prf1  
1090 CH3CHFCH3 2-Fluoropropane prf2  
1091 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1092 CH3CHClCH3 Propane, 2-chloro- prcl2  
1093 CH3CH2CH2Br n-propyl bromide prbr  
1094 CH3CHBrCH3 i-propyl bromide iprbr  
1095 C3H9O+ trimethyl oxonium cation c3h9o+  
1096 B5H9 pentaborane9 b5h9  
1097 C5H4 pentatetraene ptrene  
1098 C5H5 cyclopentadienyl radical c5h5  
1099 C5H5- cylopentadienyl anion c5h5-  
1100 C5H6 Propellane propellane  
1101 C5H7 1,3-pentadienyl radical pdyl  
1102 C5H7 cyclopentenyl radical cpyl  
1103 C5H8 1-pentyne a1pentyne  
1104 C5H8 Bicyclo[1.1.1]pentane bcp  
1105 C5H8 Ethenylcyclopropane c693867  
1106 CH3CCCH2CH3 2-Pentyne 2pentyne  
1107 CH2N4 1H-Tetrazole 1htz  
1108 C3H3N2 imidazolyl radical im  
1109 C3H3N2- imidizolyl anion im-  
1110 C2H3N3 1H-1,2,4-Triazole c288880  
1111 C4H4N pyrrolide radical c4h4n  
1112 C4H4N- pyrrolide anion c4h4n-  
1113 C3H4N2 2H-Imidazole imid2h  
1114 C3H4N2 4H-Imidazole imid4h  
1115 C4H5N 2H-pyrrole pyrrole2  
1116 C4H5N 3H-pyrrole pyrrole3  
1117 CH2CHCH2CN Allylcyanide ch2chch2cn  
1118 C4H6N+ pyrrole, alpha-protonated appyr  
1119 C4H6N+ pyrrole, beta-protonated bppyr  
1120 C4H6N+ pyrrole, protonated ppyr  
1121 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1122 CH3CH2CH2CN Butanenitrile c109740  
1123 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1124 NH(C2H5)2 diethylamine dea  
1125 NC4H12+ tetramethyl ammonium cation nc4h12+  
1126 C3O2+ Carbon suboxide cation c3o2+  
1127 B2O3 diboron trioxide b2o3  
1128 MgCO3 Magnesium Carbonate mgco3  
1129 BeCO3 Beryllium Carbonate beco3  
1130 CaCO3 Calcium Carbonate caco3  
1131 ONONO Nitrosyl nitrite onono  
1132 PO4--- phosphate po4---  
1133 SO4-- sulfate so4--  
1134 HOONO2 peroxy nitric acid hoono2  
1135 HSO4- bisulfate anion hso4-  
1136 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1137 C3H2O2 Propiolic acid c3h2o2  
1138 CHOCOOH oxo acetic acid oaa  
1139 CHOOCHO diformyl ether choocho  
1140 H2SeO4 Selenic acid h2seo4  
1141 C3H3NO Oxazole oxazole  
1142 C3H3NS Thiazole thiazole  
1143 CH3C(O)OO acetyl peroxy radical ch3coo2  
1144 H3PO4 Phosphoric Acid h3po4  
1145 C4H4O+ Furan cation furan+  
1146 CH3COCCH 3-butyn-2-one c1423605  
1147 C4H4Se selenophene c4h4se  
1148 C3H4O2 Methyl glyoxal megly  
1149 HOCHCCHOH allenediol aldiol  
1150 C2H4O3 1,2,3-trioxolane c2h4o3  
1151 C2H4O3 trioxolane124 triox  
1152 HOCH2COOH Hydroxyacetic acid hac  
1153 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1154 CH3CH2COOH Propanoic Acid propanoic  
1155 HCOOC2H5 Ethyl formate faee  
1156 C3H7NO dimethylformamide dmf  
1157 C4H8O Furan, tetrahydro- thf  
1158 C3H8O2 1,3-Propanediol c504632  
1159 C4H10O 1-Butanol butanol1  
1160 C4H10O Methyl propyl ether meopr  
1161 C4H10O+ 1-Butanol cation butanol1+  
1162 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1163 C4H9SH 1-Butanethiol bush  
1164 ClONO2 Chlorine nitrate clono2  
1165 BrONO2 Bromine nitrate brono2  
1166 ClO4- perchlorate anion clo4-  
1167 BF4- tetrafluoroboron anion bf4-  
1168 SO2F2 Sulfuryl fluoride so2f2  
1169 TiF4 Titanium tetrafluoride tif4  
1170 CF3Br Bromotrifluoromethane cf3br  
1171 GeF4 Germanium tetrafluoride gef4  
1172 CCl4+ Carbon tetrachloride cation ccl4+  
1173 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1174 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1175 CF3I trifluoroiodomethane cf3i  
1176 CBrCl3 Methane, bromotrichloro- cbrcl3  
1177 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1178 GeCl4 Germanium Tetrachloride gecl4  
1179 CBr2ClF dibromochlorofluoromethane cbr2clf  
1180 CBr2Cl2 dibromodichloromethane cbr2cl2  
1181 CCl3I trichloroiodomethane ccl3i  
1182 CFBr3 fluorotribromomethane cfbr3  
1183 CFClBrI fluorochlorobromoiodomethane cfclbri  
1184 CBr3Cl tribromochloromethane cbr3cl  
1185 CF2I2 difluorodiiodomethane cf2i2  
1186 CCl2I2 dichlorodiiodomethane ccl2i2  
1187 SiBr4 Silicon tetrabromide sibr4  
1188 CBr3I tribromoiododmethane cbr3i  
1189 GeBr4 Germanium tetrabromide gebr4  
1190 CI4 tetraiodomethane ci4  
1191 SiI4 silicon tetraiodide sii4  
1192 ClOF3 Chlorine trifluoride oxide clof3  
1193 SeF4 Selenium tetrafluoride sef4  
1194 SCl4 Sulfur tetrachloride scl4  
1195 C2HF3+ Trifluoroethylene cation c2hf3+  
1196 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1197 HClO4 perchloric acid hclo4  
1198 CF3OH trifluoromethanol cf3oh  
1199 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1200 CHClCCHCl 1,3-dichloroallene chclcchcl  
1201 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1202 CHCl2CHO dichloroacetaldehyde chcl2cho  
1203 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1204 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1205 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1206 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1207 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1208 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1209 NH3BCl3 Amminetrichloroboron nh3bcl3  
1210 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1211 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1212 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1213 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1214 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1215 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1216 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1217 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1218 C4H9F 1-fluorobutane butaf1  
1219 CH3CHFCH2CH3 2-fluorobutane butaf2  
1220 XeF4 Xenon tetrafluoride xef4  
1221 C2H2N2O Furazan furazan  
1222 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1223 NH3BF3 Amminetrifluoroboron nh3bf3  
1224 C6H2 hexatriyne c6h2  
1225 C6H4 Benzyne benzyne  
1226 C6H5 phenyl phenyl  
1227 C6H5- phenyl anion phenyl-  
1228 C6H6 Prismane prismane  
1229 C6H6 1,2,4,5-Hexatetraene ht1245  
1230 C6H6 3,4-Dimethylenecyclobutene cb34m  
1231 C6H6 Benzvalene bv  
1232 C6H6 Dewar Benzene dewar  
1233 C6H6 Hexa-1,5-diene-3-yne hdy153  
1234 C6H6 Trimethylenecycopropane tmcp  
1235 C6H6+ Benzene cation c6h6+  
1236 C6H7+ benzene, protonated c6h7+  
1237 C6H8 (E)-hexa-2,3,4-triene c59660650  
1238 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1239 C6H10 1,5-Hexadiene c592427  
1240 C6H10 3-Hexyne hexyne3  
1241 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1242 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1243 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1244 C6H12 (E)-2-Hexene e2hexene  
1245 C6H12 (E)-hex-3-ene e3hexene  
1246 C6H12 (Z)-hex-2-ene z2hexene  
1247 C6H12 (Z)-hex-3-ene z3hexene  
1248 C6H12 2,3-dimethylbut-1-ene c563780  
1249 C6H12 2,3-dimethyl-but-2-ene tmeet  
1250 C6H12 3-methylenepentane c760214  
1251 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1252 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1253 C6H12 hex-1-ene hexene1  
1254 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1255 C4H2N2 Fumaronitrile c4h2n2  
1256 C2H2N4 sym-tetrazine ttz  
1257 C3H3N3 1,3,5-Triazine triazine135  
1258 C5H5N E-2,4-pentadienenitrile bdcn  
1259 B3N3H6 borazine borazine  
1260 C6H6 Fulvene fulvene  
1261 C5H6N+ Pyridinium c5h6n  
1262 C6H10 Bicyclo[3.1.0]hexane c285585  
1263 Li2CO3 Lithium Carbonate li2co3  
1264 Na2CO3 Sodium Carbonate na2co3  
1265 C2O4-- oxalate anion c2o4  
1266 MgSO4 Magnesium Sulfate mgso4  
1267 C3H2O3 vinylene carbonate vica  
1268 C2H2O4 Oxalic Acid oxalic  
1269 C4H4O2 2(5H)-Furanone furanone  
1270 C2H4N2S2 Ethanedithioamide c79403  
1271 C2H4CO3 Ethylene carbonate etco3  
1272 C2H4O4 Formic acid dimer fadimer  
1273 C2H5NO3 Nitric acid, ethyl ester c625581  
1274 C5H6O 2H-Pyran pyran2  
1275 C5H6O 2-methylfuran furan2m  
1276 C5H6O 3-Methylfuran furan3m  
1277 C5H6O Pentadienal pdal  
1278 C4H6O2 2,3-Butanedione c431038  
1279 C4H6O2 Crotonic Acid crot  
1280 C3H6S3 1,3,5-Trithiane c3h6s3  
1281 C4H7NO Ethoxyacetonitrile etoaccn  
1282 C3H7ONO Propyl nitrite prono  
1283 C5H8O Cyclopentanone c120923  
1284 C5H8O Methyl cyclopropyl ketone c765435  
1285 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1286 C4H8O2 1,3-Dioxane dioxan13  
1287 C4H8O2 Ethyl acetate c141786  
1288 C5H10O 2-methylbutyraldehyde 2meba  
1289 C5H12O 3-Pentanol pentan3ol  
1290 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1291 C4F2 difluorobutadiyne c4f2  
1292 ClCOClCO Oxalyl chloride oxcl  
1293 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1294 C2F4+ Tetrafluoroethylene cation c2f4+  
1295 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1296 CF2CCl2 difluorodichloroethylene cf2ccl2  
1297 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1298 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1299 C2FCl3 fluorotrichloroethene c2fcl3  
1300 C2Br4 tetrabromoethene c2br4  
1301 CF3OF Trifluoromethylhypofluorite cf3of  
1302 SiF5- silicon pentafluoride anion sif5-  
1303 SOF4 Sulfur tetrafluoride oxide sof4  
1304 AsF5 Arsenic pentafluoride asf5  
1305 SF5 Sulfur pentafluoride sf5  
1306 SF5+ pentafluoro sulfur cation sf5+  
1307 SbCl5 Antimony pentachloride sbcl5  
1308 ClF5 chlorinepentafluoride clf5  
1309 IF5 pentafluoroiodine if5  
1310 CF3CHO trifluoroacetaldehyde cf3cho  
1311 CCl3CHO trichloroacetaldehyde ccl3cho  
1312 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1313 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1314 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1315 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1316 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1317 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1318 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1319 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1320 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1321 CF3COOH trifluoroacetic acid cf3cooh  
1322 C4H3ClO Furan, 2-chloro fur2cl  
1323 C4H3ClO Furan,3-chloro fur3cl  
1324 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1325 C4H8O2 Butanoic acid bua  
1326 C7H7 cycloheptatrienyl radical c7h7  
1327 C7H7+ cycloheptatrienyl cation c7h7+  
1328 C7H8 cycloheptatriene cht  
1329 C7H8 Norbornadiene norbor  
1330 C7H8 Quadricyclane qucy  
1331 C7H14 cycloheptane c7h14  
1332 C7H16 3-methylhexane hex3m  
1333 CH(CN)3 tricyanomethane mecn3  
1334 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1335 C6H7N 2-Methylpyridine mp  
1336 C6H13N 2-Methylpiperidine pip2m  
1337 C6H13N cyclohexanamine cham  
1338 C6H15N triethylamine tea  
1339 N2O5 Dinitrogen pentoxide n2o5  
1340 C4H2O3 Maleic Anhydride malan  
1341 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1342 C5H4O2 furfural furfural  
1343 C6H5O phenoxy radical phenoxy  
1344 C6H6O 2,5-Cyclohexadienone c5664335  
1345 C6H5SH Benzenethiol phsh  
1346 HO2CCHNH2CH2OH Serine serine  
1347 C5H8O2 Acetylacetone acac  
1348 C4H8O2S Sulfolane sulfolane  
1349 C7H10 Norbornene norbornene  
1350 CH(C2H3)3 trivinyl methane tvm  
1351 C6H12O hexanal c6h12o  
1352 C6H12O Oxepane oxepane  
1353 C3H7OC3H7 di-n-propyl ether propr  
1354 F2CCCF2 tetrafluoroallene pfa  
1355 CF3COO- trifluoro acetate anion cf3coo-  
1356 CF3COF trifluoroacetyl fluoride cf3cof  
1357 CF3COCl trifluoroacetyl chloride cf3cocl  
1358 PF6 Hexafluorophosphate neutral pf6  
1359 PF6- Hexafluorophosphate ion pf6-  
1360 SeF6 Selenium hexafluoride sef6  
1361 SF5Cl sulfur chloropentafluoride sf5cl  
1362 CF3CHF2 pentafluoroethane cf3chf2  
1363 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1364 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1365 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1366 CCl3CHCl2 pentachloroethane ccl3chcl2  
1367 C6H5F Fluorobenzene bzf  
1368 C8H6 Calicene calicene  
1369 C8H6 benzocyclobutadiene bcbd  
1370 C8H6 Pentalene pentalene  
1371 CH3C6H4CH3 meta-xylene mxylene  
1372 CH3C6H4CH3 paraxylene pxylene  
1373 C8H14 Bicyclo[2.2.2]octane bico222  
1374 C8H16 cyclooctane cyclooct  
1375 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1376 C8H18 Octane c8h18  
1377 C6H5CN phenyl cyanide phcn  
1378 C6H12N2 Triethylenediamine ted  
1379 C4O4-- squarate dianion c4o4--  
1380 S4N4 Tetrasulfur tetranitride s4n4  
1381 C6H4O2 parabenzoquinone pbq  
1382 C4H4N2O2 Uracil uracil  
1383 C5H9NO2 Proline proline  
1384 C6H12O2 Methyl pivalate c598981  
1385 C6H12O2 Hexanoic acid hexa  
1386 C4F4 tetrafluorcyclobutadiene c4f4  
1387 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1388 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1389 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1390 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1391 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1392 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1393 C2Cl6 hexachloroethane c2cl6  
1394 IF7 Iodine heptafluoride if7  
1395 C6H4F2 metadifluorobenzene mdfb  
1396 C6H4F2 orthodifluorobenzene odfb  
1397 C6H4F2 1,4-difluorobenzene pdfb  
1398 C6H4Cl2 1,2-dichlorobenzene dcb12  
1399 C6H4Cl2 1,3-dichlorobenzene dcb13  
1400 C6H4Cl2 1,4-dichlorobenzene dcb14  
1401 C6H5NO nitrosobenzene bzno  
1402 C9H8 Indene indene  
1403 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1404 C9H12 n-propyl benzene prbz  
1405 C9H20 Nonane nonane  
1406 C(CN)4 tetracyanomethane c5n4  
1407 C5H4N4 purine purine  
1408 C3H3N3O3 cyanuric acid cyanuric  
1409 CH3COC6H5 acetophenone acph  
1410 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1411 C3F6 hexafluoropropene c3f6  
1412 C6H3F3 Benzene trifluoride 123 bzf3a  
1413 C8H18O 1-Octanol octanol  
1414 C10H8 Azulene azu  
1415 C10H10 bullvalene bullv  
1416 C6N4 Tetracyanoethylene tcne  
1417 C6N4- tetracyanoethylene anion tcne-  
1418 C10H22 Decane decane  
1419 C4F6 perfluorobutadiene c4f6  
1420 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1421 C3F8 perfluoropropane c3f8  
1422 Fe(CO)5 Iron pentacarbonyl ipc  
1423 Fe(C5H5)2 ferrocene fecp2  
1424 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1425 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1426 C12H8 Acenaphthylene acenaph  
1427 C12H8 biphenylene biph  
1428 C12H10 Heptalene heptalene  
1429 C6H12O6 Inositol inositol  
1430 C6F6 hexafluorobenzene c6f6  
1431 S2F10 disulphur decafluoride s2f10  
1432 C13H10 Fluorene fluorene  
1433 C14H10 Anthracene anth  
1434 C14H10 Phenanthrene phenanthrene  
1435 C14H14 Bibenzyl bibenzyl  
1436 C12H10N2 azobenzene azobenzene  
1437 C6H5COC6H5 benzophenone benzophenone  
1438 C16H10 Pyrene pyrene  
1439 C18H12 Tetracene tetracene  
1440 C19H16 Triphenylmethane tpm  
1441 C24H12 Coronene coronene  
1442 C60 Buckminsterfullerene c60