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List of which calculations are completed at B3PW91 /cc-pV(T+d)Z

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 He2+ helium diatomic cation 2ΣuD∞h
12 Na+ Sodium atom cation 1SKh
13 LiH- lithium hydride anion 2ΣC∞v
14 LiH+ lithium hydride cation 2ΣC∞v
15 NaH- sodium hydride anion 2ΣC∞v
16 NaH+ sodium hydride cation 2ΣC∞v
17 BeH- berylium monohydride anion 1ΣC∞v
18 BeH+ beryllium monohydride cation 1ΣC∞v
19 MgH- magnesium monohydride anion 1ΣC∞v
20 MgH+ magnesium monohydride cation 1ΣC∞v
21 B Boron atom 2PKh
22 BH Boron monohydride 1ΣC∞v
23 BH- boron monohydride anion 2ΠC∞v
24 BH+ boron monohydride cation 2ΣC∞v
25 AlH aluminum monohydride 1ΣC∞v
26 BH2 boron dihydride 2A1C2v
27 BH3 boron trihydride 1A1'D3h
28 BH4- borohydride anion 1A1Td
29 C Carbon atom 3P0Kh
30 Si Silicon atom 3PKh
31 CH Methylidyne 2Π1/2C∞v
32 CH- methylidyne anion 3ΣC∞v
33 CH+ Methylidyne cation 1ΣC∞v
34 CH2 Methylene 3B1C2v
35 CH2 Methylene 1A1C2v
36 CH2- methylene anion 2B1C2v
37 CH2+ methylene cation 2A1C2v
38 SiH2 silicon dihydride 1A1C2v
39 SiH2 silicon dihydride 3B1C2v
40 CH3 Methyl radical 2A1D3h
41 CH3- methyl anion 1A1C3v
42 SiH3 Silyl radical 2A1C3v
43 CH4 Methane 1A1Td
44 SiH4 Silane 1A1Td
45 P Phosphorus atom 4SKh
46 NH Imidogen 3Σ-C∞v
47 NH Imidogen 1Σ+C∞v
48 NH- Imidogen anion 2ΠC∞v
49 NH+ imidogen cation 2ΠC∞v
50 PH phosphorus monohydride 1Σ+C∞v
51 ND2 Amidogen-d2 2B1C2v
52 NH2 Amino radical 2B1C2v
53 NH2- amino anion 1A1C2v
54 ND3 Ammonia-d3 1A1C3v
55 NH3 Ammonia 1A1C3v
56 NH3+ ammonia cation 2A2"D3h
57 PH3 Phosphine 1A1C3v
58 NH4+ ammonium cation 1A1Td
59 PH4+ phosphonium cation   
60 O Oxygen atom 3SKh
61 S Sulfur atom 3PKh
62 DO Hydroxyl-d 2ΠC∞v
63 OH Hydroxyl radical 2ΠC∞v
64 OH- hydroxide anion 1ΣC∞v
65 OH+ hydoxyl cation 3ΣC∞v
66 OH+ hydoxyl cation 1ΣC∞v
67 HS Mercapto radical 2ΠC∞v
68 D2O Deuterium oxide 1A1C2v
69 H2O Water 1A1C2v
70 H2O- water anion 2A1C2v
71 H2O+ water cation 2B1C2v
72 HDO Water-d1 1A1C2v
73 H2S Hydrogen sulfide 1A1C2v
74 H2S+ Hydrogen sulfide cation 2B1C2v
75 H3O+ hydronium cation 1A1C3v
76 H3S+ Sulfonium cation 1A1C3v
77 F Fluorine atom 2PKh
78 Cl Chlorine atom 2PKh
79 DF Hydrofluoric acid-d 1ΣC∞v
80 HF Hydrogen fluoride 1ΣC∞v
81 HF- hydrogen fluoride anion 2ΣC∞v
82 HF+ hydrogen fluoride cation 2ΠC∞v
83 HCl Hydrogen chloride 1ΣC∞v
84 HCl+ hydrogen chloride cation 2ΠC∞v
85 H2F+ dihydrogen fluoride cation 1A1C2v
86 H2Cl+ dihydrogen monochloride cation 1A1C2v
87 Ne Neon atom 1SKh
88 NeH+ neon hydrogen cation 1ΣC∞v
89 Li2- lithium diatomic anion 2ΣuD∞h
90 NaLi lithium sodium 1ΣC∞v
91 NaLi- lithium sodium anion 2ΣC∞v
92 NaLi+ lithium sodium cation 2ΣC∞v
93 Na2- sodium diatomic anion 2ΣuD∞h
94 Na2+ sodium diatomic cation 2ΣgD∞h
95 Be2- Beryllium diatomic anion 2ΠuD∞h
96 Be2+ Beryllium diatomic cation 2ΣuD∞h
97 Mg2- magnesium diatomic anion 2ΠUD∞h
98 Mg2+ magnesium diatomic cation 2ΣuD∞h
99 B2 Boron diatomic 3ΣgD∞h
100 B2 Boron diatomic 1ΣgD∞h
101 B2 Boron diatomic 5ΣuD∞h
102 B2- Boron diatomic anion 4ΣgD∞h
103 BAl Boron Aluminum 3ΣC∞v
104 B2H6 Diborane 1AgD2h
105 BC- boron monocarbide anion 3ΠuC∞v
106 BC- boron monocarbide anion 1Σg+C∞v
107 BC+ boron monocarbide cation 3ΣC∞v
108 BC+ boron monocarbide cation 1ΣC∞v
109 AlC Aluminum carbide 4ΣC∞v
110 C2 Carbon diatomic 1Σg+D∞h
111 C2 Carbon diatomic 3ΠuD∞h
112 C2- carbon diatomic anion 2ΣgD∞h
113 C2+ carbon diatomic cation 2ΠD∞h
114 SiC silicon monocarbide 3ΣC∞v
115 SiC silicon monocarbide 1ΣC∞v
116 C2H Ethynyl radical 2ΣC∞v
117 C2H2 Acetylene 1ΣgD∞h
118 C2H2+ acetylene cation 2ΠuD∞h
119 CCH2 vinylidene 1A1C2v
120 C2H3 vinyl 2A'Cs
121 C2H4 Ethylene 1AgD2h
122 C2H5 Ethyl radical 2A'Cs
123 C2H6 Ethane 1A1gD3d
124 Si2H6 disilane 1EuD3d
125 BeN- Beryllium mononitride anion 1ΣC∞v
126 BN- boron nitride anion 2ΣC∞v
127 BN boron nitride 3ΠC∞v
128 BN boron nitride 1ΣC∞v
129 BN+ boron nitride cation 2ΠC∞v
130 AlN Aluminum nitride 3ΠiC∞v
131 CN Cyano radical 2ΣC∞v
132 CN- cyanide anion 1ΣC∞v
133 CN+ Cyano cation 1ΣC∞v
134 SiP Silicon monophosphide 2ΠC∞v
135 N2 Nitrogen diatomic 1ΣgD∞h
136 N2- nitrogen diatomic anion 2ΠgD∞h
137 N2+ diatomic nitrogen cation 2ΣgD∞h
138 P2 Phosphorus diatomic 1ΣgD∞h
139 HNC hydrogen isocyanide 1ΣC∞v
140 HCN Hydrogen cyanide 1ΣC∞v
141 HCN+ hydrogen cyanide cation 2ΠC∞v
142 NNH Dinitrogen monohydride 2A'Cs
143 N2H2 (E)-diazene 1AgC2h
144 CH2NH Methanimine 1A'Cs
145 CH2PH Phosphaethene 1A'Cs
146 CH2NH2+ methyleneamine cation 1A1C2v
147 N2H4 Hydrazine 1AC2
148 CH3NH2 methyl amine 1A'Cs
149 BH3PH3 borane phosphine   
150 LiO- lithium oxide anion 1ΣC∞v
151 LiO+ lithium oxide cation 3ΣC∞v
152 LiO+ lithium oxide cation 1ΣC∞v
153 LiS Lithium monosulfide 2ΠC∞v
154 NaO- sodium oxide anion 1ΣC∞v
155 NaO+ sodium oxide cation 3ΣC∞v
156 BeO- Beryllium monoxide anion 2ΣC∞v
157 BeO+ Beryllium monoxide cation 2ΠC∞v
158 MgO- magnesium oxide anion 2ΣC∞v
159 MgO+ magnesium oxide cation 2ΠC∞v
160 CaS Calcium sulfide 1ΣC∞v
161 BO boron monoxide 2ΣC∞v
162 BO- boron monoxide anion 1ΣC∞v
163 BO+ boron monoxide cation 1ΣC∞v
164 CO Carbon monoxide 1ΣC∞v
165 CO- carbon monoxide anion 2ΠC∞v
166 CO+ carbon monoxide cation 2ΣC∞v
167 GeO Germanium monoxide 1ΣC∞v
168 SiSe Silicon Monoselenide   
169 NO Nitric oxide 2ΠC∞v
170 NO- nitric oxide anion 3ΣC∞v
171 NO- nitric oxide anion 1ΔC∞v
172 NO+ nitric oxide cation 1ΣC∞v
173 PO Phosphorus monoxide 2ΠC∞v
174 PS phosphorus sulfide 2ΣC∞v
175 O2 Oxygen diatomic 3ΣgD∞h
176 O2- oxygen diatomic anion 2ΠD∞h
177 O2+ diatomic oxygen cation 2ΠgD∞h
178 SO Sulfur monoxide 3ΣC∞v
179 SO Sulfur monoxide 1ΣC∞v
180 S2 Sulfur diatomic 3ΣgD∞h
181 S2+ sulfur diatomic cation 2ΠD∞h
182 Se2 Selenium diatomic 3ΣgD∞h
183 HBO Boron hydride oxide 1ΣC∞v
184 HCO Formyl radical 2A'Cs
185 HNO Nitrosyl hydride 1A'Cs
186 HO2 Hydroperoxy radical 2A"Cs
187 HSO+ Sulfur Monoxide, S-protonated   
188 SOH Sulfur Hydroxide   
189 SOH+ Sulfur Monoxide, protonated   
190 H2CO Formaldehyde 1A1C2v
191 H2CO+ formaldehyde cation 2B2C2v
192 H2CS Thioformaldehyde 1A1C2v
193 H2CSe Selenoformaldehyde   
194 H2O2 Hydrogen peroxide 1AC2
195 H2S2 Disulfane 1AC2
196 H2S2+ hydrogen disulfide cation 2BgC2h
197 CH2OH Hydroxymethyl radical 2AC1
198 CH2OH+ hydroxymethyl cation 1A'Cs
199 CH3O Methoxy radical 2A'C1
200 H2CSH+ Thioformaldehyde, protonated 1A'Cs
201 NH2OH hydroxylamine 1A'Cs
202 H2POH Phosphinous acid 1A1'CS trans
203 H2POH Phosphinous acid 1A1'CS cis
204 H3PO Phosphine oxide 1A1C3v
205 CH3OH Methyl alcohol 1A'Cs
206 CH3SH Methanethiol 1A'Cs
207 CH3SH2+ protonated methylsulfide 1A'Cs
208 LiCl lithium chloride 1ΣC∞v
209 NaF- sodium fluoride anion 2ΣC∞v
210 NaF+ sodium fluoride cation 2ΣC∞v
211 LiF- lithium fluoride anion 2ΣC∞v
212 LiF+ lithium fluoride cation 2ΠC∞v
213 BeF- Beryllium monofluoride anion 1ΣC∞v
214 BeF+ Beryllium monofluoride cation 1ΣC∞v
215 MgF- magnesium fluoride anion 1ΣC∞v
216 MgF+ magnesium fluoride cation 1ΣC∞v
217 BF Boron monofluoride 1ΣC∞v
218 BF- Boron monofluoride anion 2ΠC∞v
219 BF+ Boron monofluoride cation 2ΣC∞v
220 AlCl Aluminum monochloride 1ΣC∞v
221 CF Fluoromethylidyne 2ΠC∞v
222 CF- carbon monofluoride anion 3ΣC∞v
223 CF- carbon monofluoride anion 1ΣC∞v
224 CF+ carbon monofluoride cation 1ΣC∞v
225 SiF silicon monofluoride 2ΠC∞v
226 SiF+ silicon monofluoride cation 1ΣC∞v
227 NF nitrogen fluoride 3ΣC∞v
228 NF nitrogen fluoride 1ΣC∞v
229 NF- nitrogen monofluorine anion 2ΠC∞v
230 NF+ nitrogen monofluoirde cation 2ΠC∞v
231 NCl nitrogen monochloride 3ΣC∞v
232 FO Oxygen monofluoride 2ΠC∞v
233 FO- flourine oxide anion 1ΣC∞v
234 FO+ fluorine monoxide cation 3ΣC∞v
235 ClO Monochlorine monoxide 2ΠC∞v
236 SF Monosulfur monofluoride 2ΠC∞v
237 SF+ sulfur monofluoride cation 3ΣC∞v
238 SCl sulfur monochloride 2ΠC∞v
239 SCl+ sulfur monochloride cation 3ΣgC∞v
240 SBr Sulfur monobromide radical   
241 F2 Fluorine diatomic 1ΣgD∞h
242 F2- flourine diatomic anion 2ΣuD∞h
243 F2+ flourine diatomic cation 2ΠgD∞h
244 ClF Chlorine monofluoride 1Σ+C∞v
245 Cl2- chlorine diatomic anion 2ΣuD∞h
246 Cl2+ chlorine diatomic cation 2ΠgD∞h
247 HCF Fluoromethylene 1A'Cs
248 HOF Hypofluorous acid 1A'Cs
249 CH2Cl chloromethyl radical 2A'Cs
250 H2F2 Hydrogen fluoride dimer 1AgCs
251 CH3F Methyl fluoride 1A1C3v
252 CH3Cl Methyl chloride 1A1C3v
253 SiH3Cl chlorosilane 1A1C1
254 C3 carbon trimer 1ΣgD∞h
255 C3H3 Propargyl radical 2B1Cs
256 CH2CCH2 allene 1A1D2d
257 CH3CCH propyne 1A'C3v
258 C3H6 Cyclopropane 1A1'D3h
259 CH2CHCH3 Propene 1A'Cs
260 C3H7 n-Propyl radical 2A"C1
261 C3H8 Propane 1A1C2v
262 Si3H8 trisilane   
263 HN3 hydrogen azide 1A'Cs
264 CH2NN diazomethane 1A1C2v
265 CH3CN Acetonitrile 1A1C3v
266 CH3NC methyl isocyanide 1A1C3v
267 NHCHNH2 aminomethanimine 1AC1
268 C2H5N Aziridine 1A'C1
269 CH3CH2NH2 Ethylamine 1A'Cs
270 CH3NHCH3 Dimethylamine 1A'Cs
271 Li2O dilithium oxide 1ΣgD∞h
272 Li2S dilithium sulfide 1ΣGD∞h
273 Li2S dilithium sulfide 1A1C2v
274 BO2 Boron dioxide 2A'D∞h
275 N2O Nitrous oxide 1ΣC∞v
276 NNS Nitrogen sulfide 1ΣC∞v
277 CO2 Carbon dioxide 1ΣgD∞h
278 OCS Carbonyl sulfide 1ΣC∞v
279 SiS2 Silicon disulfide 1ΣGD∞h
280 NO2 Nitrogen dioxide 2A1C2v
281 NSO sulfinyl amidogen   
282 SNO Nitrogen oxide sulfide   
283 O3 Ozone 1A1Cs
284 SO2 Sulfur dioxide 1A1C2v
285 S3 Sulfur trimer   
286 S3+ Sulfur trimer cation 2B2C2v
287 HCCO ketenyl radical 2A"Cs
288 HCNO fulminic acid 1ΣC∞v
289 HNCO Isocyanic acid 1A'Cs
290 HOCN cyanic acid 1A'Cs
291 HCO2- formate anion 1A1C2v
292 HOCO Hydrocarboxyl radical 1A'cis
293 HOCO Hydrocarboxyl radical 1A'trans
294 HNO2 Nitrous acid 1A'Cs
295 CH2CO Ketene 1A1C2v
296 HCCOH ethynol 1A'Cs
297 CH2CS Thioketene   
298 CH2O2 Dioxirane 1A1C2v
299 HCOOH Formic acid 1A'Cs
300 HSSSH trisulfane 1AC2
301 HSSSH trisulfane 1A'Cs
302 CH3CO Acetyl radical 2A'Cs
303 CHONH2 formamide 1A'Planar
304 CH3OO methylperoxy radical 2A"Cs
305 C2H4O Ethylene oxide 1A1C2v
306 CH2CHOH ethenol 1A'Cs
307 CH3CHO Acetaldehyde 1A'Cs
308 C2H4S Thiirane 1A1C2v
309 CH3CHS Thioacetaldehyde 1A'C1
310 CH3OOH Methyl peroxide 1AC1
311 CH3SSH Hydrogen methyl disulfide   
312 CH3CH2OH Ethanol 1A'Cs
313 CH3OCH3 Dimethyl ether 1A1C2v
314 CH3CH2SH ethanethiol 1A'Cs
315 FCN Cyanogen fluoride 1ΣC∞v
316 FNO Nitrosyl fluoride 1A'Cs
317 FNS Thionitrosyl fluoride 1A'Cs
318 FSN Thiazyl fluoride 1A'Cs
319 OPCl Phosphorus oxychloride   
320 CF2 Difluoromethylene 1A1D∞h
321 GeCl2 Germanium dichloride 1A1C2v
322 OClO Chlorine dioxide 2B1D∞h
323 ClSO Sulfur chloride oxide 2A"Cs
324 NF2 Difluoroamino radical 2B1C2v
325 FClO chlorosyl fluoride 1A'Cs
326 F2O Difluorine monoxide 1A1C2v
327 ClOF Chlorine hypofluorite 1A'Cs
328 SF2 sulfur difluoride 1A1C2v
329 SCl2 Sulfur dichloride 1A1C2v
330 SeCl2 Selenium Dichloride   
331 SBr2 Sulfur dibromide   
332 SeBr2 Selenium dibromide   
333 HCCF Fluoroacetylene 1ΣC∞v
334 HFCO formyl fluoride 1A'Cs
335 BHF2 Difluoroborane 1A1C2v
336 CH2F2 Methane, difluoro- 1A1C2v
337 CH2Cl2 Methylene chloride 1A1C2v
338 CH2CHF Ethene, fluoro- 1A'Cs
339 C2H5F fluoroethane 1A'Cs
340 C4 Carbon tetramer 3ΣgD∞h
341 C4H2 Diacetylene 1ΣgD∞h
342 C2H3CCH 1-Buten-3-yne 1A'C1
343 H2CCCCH2 Butatriene 1AgD2h
344 C4H6 1-Methylcyclopropene 1AC1
345 C4H6 Cyclobutene 1A1C2v
346 C4H6 Methylenecyclopropane 1A1C2v
347 CH2CCHCH3 1,2-Butadiene 1A'C1
348 CH2CHCHCH2 1,3-Butadiene 1AgC2h
349 CH3CCCH3 2-Butyne 1A1'D3h
350 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
351 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
352 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
353 C(CH3)3 Tert-butyl radical 2A"C3v
354 CH2CH(CH3)2 Isobutyl radical 2A'C1
355 CH3CH(CH3)CH3 Isobutane 1A1C3v
356 CH3CH2CH2CH3 Butane 1AgAnti
357 C2N2 Cyanogen 1ΣgD∞h
358 HCCCN Cyanoacetylene 1ΣC∞v
359 C3H3N acrylonitrile 1A'Cs
360 C3H7N Cyclopropylamine 1A'C1
361 C4H8 cyclobutane 1A1D2d
362 C2H8N2 Ethylenediamine 1AgC2h
363 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
364 N(CH3)3 Trimethylamine 1A1C3v
365 B2O2 Diboron dioxide 1ΣgD∞h
366 S2N2 Disulfur dinitride 1AGD2h
367 CO3-- carbonate 1A1'D3h
368 CS3-- Carbonotrithioate   
369 NO3 Nitrogen trioxide 2A1'all bonds equal
370 SO3 Sulfur trioxide 1A1'D3h
371 S4 Sulfur tetramer   
372 S4 Sulfur tetramer   
373 S4 Sulfur tetramer   
374 HNO3 Nitric acid 1A'Cs
375 C2H2O2 Ethanedial 1AgC2h
376 CH3COO- acetate anion 1A'eclipsed
377 CH3NO2 Methane, nitro- 1A'Cs
378 CH3ONO Methyl nitrite 1A'C1
379 H3AlO3 Aluminum hydroxide   
380 C3H4O allenol 1A'Cs
381 C3H4O Cyclopropanone 1A1C2v
382 CH2CHCHO Acrolein 1A'Cs
383 NH2CONH2 Urea 1AC2
384 CH3COOH Acetic acid 1A'Cs
385 CH3OCHO methyl formate 1A'Cs
386 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
387 CH3CHNOH Acetaldoxime 1A'CS trans
388 CH3CONH2 Acetamide 1A'C1
389 CH3CSNH2 Ethanethioamide   
390 C3H6O Propylene oxide 1AC1
391 CH3CH2CHO Propanal 1A'Cs
392 CH3COCH3 Acetone 1A1C2v
393 C2H6O2 1,2-Ethanediol 1AgC2h
394 C3H7OH 1-Propanol 1A'Cs
395 CH3CHOHCH3 Isopropyl alcohol 1AC1
396 CH3OC2H5 Ethane, methoxy- 1A'Cs
397 C2F2 difluoroacetylene 1ΣgD∞h
398 N2F2 (Z)-Difluorodiazene 1A1C2v
399 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
400 CF2O Carbonic difluoride 1A1C2v
401 Cl2CS Thiophosgene 1A1C2v
402 BF3 Borane, trifluoro- 1A'D3h
403 AlF3 Aluminum trifluoride 1A1'D3h
404 CF3 Trifluoromethyl radical 2A1C3v
405 ClO2F Chloryl fluoride 1A'Cs
406 F2SO Thionyl Fluoride 1A'Cs
407 FSSF Difluorodisulfane 1AC2
408 S2F2 Thio-thionyl fluoride 1A'Cs
409 SSCl2 Thiothionyl chloride   
410 NF3 Nitrogen trifluoride 1A1C3v
411 SF3 Sulfur trifluoride 2A'Cs
412 ClF3 Chlorine trifluoride 1A1'D3h
413 ClF3 Chlorine trifluoride 1A1C2v
414 HClO3 Chloric Acid 1AC1
415 CHF3 Methane, trifluoro- 1A1C3v
416 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
417 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
418 CH3COF Acetyl fluoride 1A'NULL
419 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
420 C5H5- cylopentadienyl anion 1A1'D5h
421 C5H6 1,3-Cyclopentadiene 1A1C2v
422 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
423 C5H6 3-Penten-1-yne, (E)- 1A'Cs
424 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
425 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
426 C5H6 Cyclopropylacetylene 1A'C1
427 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
428 C5H8 1,2-Pentadiene 1A'C1
429 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
430 C5H8 1,3-Pentadiene, (E)- 1A'C1
431 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
432 C5H8 1,4-Pentadiene 1AC2
433 C5H8 2,3-Pentadiene 1AC1
434 C5H8 Cyclobutane, methylene- 1A'Cs
435 C5H8 Cyclopentene 1A'Cs
436 C5H10 1-Butene, 2-methyl- 1AC1
437 C5H10 2-Butene, 2-methyl- 1A'Cs
438 C5H10 2-Pentene, (E)- 1A'Cs
439 C5H10 2-Pentene, (Z)- 1AC1
440 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
441 CH2CHCH2CH2CH3 1-pentene 1AC1
442 C5H11 2-Methylbut-2-yl radical 1AC1
443 C5H12 Butane, 2-methyl- 1AC1
444 C5H12 Pentane 1A1C2v
445 C5H12 Propane, 2,2-dimethyl- 1A1Td
446 N2O3 Dinitrogen trioxide 1A'Cs
447 C3H2N2 Malononitrile 1A1Cs
448 C3H4N2 1H-Imidazole 1A'Cs
449 C3H4N2 1H-Pyrazole 1A'Cs
450 C4H5N (E)-2-Butenenitrile 1A'Cs
451 C4H5N (Z)-2-Butenenitrile 1A'Cs
452 C4H5N Cyclopropanecarbonitrile 1A'Cs
453 C4H5N Pyrrole 1A1C2v
454 C3H6N2 3-Aminopropionitrile 1A'Cs
455 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
456 C5H8 Spiropentane 1A1D2d
457 C4H9N Cyclobutylamine 1A'Cs
458 C4H9N Pyrrolidine 1A'Cs
459 C3H10N2 1,2-Diaminopropane 1AC1
460 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
461 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
462 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
463 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
464 C3O2 Carbon suboxide 1ΣGD∞h
465 H2SO4 Sulfuric acid 1AC1
466 C3H3NO Isoxazole 1A'Cs
467 CH3NO3 Methyl nitrate 1A'Cs
468 C4H4O Furan 1A1C2
469 C3H4O2 β–Propiolactone 1A'Cs
470 C3H4O2 2-Propenoic acid 1A'Cs
471 C3H4O2 propanedial 1AC1
472 C3H4O2 propenalol 1A'Cs
473 CH2CHCONH2 Acrylamide 1ACs
474 CH3OCH2CN Methoxyacetonitrile 1AC1
475 H2NCH2COOH Glycine 1A'Cs
476 C4H6O cis-2-butenal 1ACs
477 C4H6O Cyclobutanone 1A1C2v
478 C4H6O Furan, 2,3-dihydro- 1AC1
479 C4H6O Furan, 2,5-dihydro- 1A1Cs
480 CH2CHOCHCH2 Vinyl ether 1A1C2v
481 CHOCHCHCH3 2-Butenal 1A'Cs
482 C2H6N2O Urea, methyl- 1AC1
483 C3H6O2 1,3-Dioxolane 1AC1
484 CH3COOCH3 methyl acetate 1A'Cs
485 C2H6O2S Dimethyl sulfone 1A1C2v
486 C3H7NO Propanamide 1A'C1
487 C2H3OC2H5 Ethene, ethoxy- 1AC1
488 C4H8O Cyclobutanol 1A'C1
489 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
490 CH3COCH2CH3 2-Butanone 1AC1
491 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
492 CHOCH2CH2CH3 Butanal 1A'Cs
493 C3H8O2 1,3-Propanediol 1A1C1
494 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
495 C3H8O2 Methane, dimethoxy- 1AC2
496 C3H8O2 Methane, dimethoxy- 1A1C2v
497 C3H8O2 Propylene glycol 1AC1
498 C4H10O 1-Propanol, 2-methyl- 1AC1
499 C4H10O 2-Butanol, (.+/-.)- 1AC1
500 C4H10O Ethanol, 1,1-dimethyl- 1AC1
501 C4H10O Ethoxy ethane 1A1C2v
502 C4H10O Propane, 2-methoxy- 1A'Cs
503 FNO3 Fluorine nitrate 1A'Cs
504 BF4- tetrafluoroboron anion 1A1Td
505 F3NO Nitrogen trifluoride oxide 1A1C3v
506 CF4 Carbon tetrafluoride 1A1Td
507 CF2Cl2 difluorodichloromethane 1A1C2v
508 SF4 Sulfur tetrafluoride 1A1C2v
509 C2HF3 Trifluoroethylene 1A'Cs
510 HClO4 perchloric acid 1ACs
511 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
512 SiH3CCl3 (trichloromethyl)silane 1A1C3v
513 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
514 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
515 C6H5 phenyl 2A1C2v
516 C6H6 2,4-Hexadiyne 1A1'D3h
517 C6H6 Benzene 1A1gD6h
518 C6H8 (E)-hexa-1,3,5-triene 1AgCs
519 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
520 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
521 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
522 C6H8 1,4-Cyclohexadiene 1AgC2v
523 C6H8 3-Methylenecyclopentene 1AC1
524 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
525 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
526 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
527 C6H10 1,3-Hexadiene, (E)- 1A'Cs
528 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
529 C6H10 1,4-Hexadiene, (E)- 1AC1
530 C6H10 1,4-Hexadiene, (Z)- 1AC1
531 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
532 C6H10 1-Hexyne 1A'Cs
533 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
534 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
535 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
536 C6H10 2-Hexyne 1A'C1
537 C6H10 3-Hexyne 1A1C2v
538 C6H10 cyclohexene 1AC2
539 C6H10 Cyclopentene, 1-methyl- 1AC1
540 C6H10 Cyclopentene, 3-methyl- 1AC1
541 C6H10 Cyclopentene, 4-methyl- 1AC1
542 C6H12 (E)-3-methylpent-2-ene 1AC1
543 C6H12 (Z)-3-methylpent-2-ene 1AC1
544 C6H12 3-methylenepentane 1AC1
545 C6H12 Cyclohexane 1A1gChair
546 C6H12 Cyclopentane, methyl- 1AC1
547 C6H12 Ethylcyclobutane 1AC1
548 C6H12 hex-1-ene 1A'Cs
549 C6H14 Butane, 2,2-dimethyl- 1A'C1
550 C6H14 Butane, 2,3-dimethyl- 1AgC2h
551 C6H14 Hexane 1AgC2h
552 C6H14 Pentane, 2-methyl- 1AC1
553 C6H14 Pentane, 3-methyl- 1A'Cs
554 C4N2 2-Butynedinitrile 1ΣgD∞h
555 C3H3N3 1,3,5-Triazine 1A1'D3h
556 CH3N5 5-Aminotetrazole 1AC1
557 C4H4N2 1,3-Diazine 1A1C2v
558 C4H4N2 Pyrazine 1AgD2h
559 C4H4N2 Pyridazine 1A1C2v
560 C4H4N2 Succinonitrile 1AgC2h
561 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
562 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
563 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
564 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
565 C5H5N Pyridine 1A1C2v
566 C6H6 Fulvene 1A1C2v
567 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
568 C5H7N (E)-2-Pentenenitrile 1A'Cs
569 C5H7N (E)-3-Pentenenitrile 1AC1
570 C5H7N (Z)-2-Pentenenitrile 1AC1
571 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
572 C5H7N Cyclobutanecarbonitrile 1A'Cs
573 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
574 C5H9N Butanenitrile, 2-methyl- 1AC1
575 C5H9N Pentanenitrile 1A'Cs
576 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
577 C5H11N Cyclopentanamine 1A'Cs
578 C5H11N Piperidine 1A'NH equatorial
579 C5H11N Piperidine 1A'NH axial
580 C4H12N2 1,2-Butanediamine 1AC1
581 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
582 N2O4 Dinitrogen tetroxide 1AgD2d
583 C2H3NO3 Oxamic acid 1A'H out
584 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
585 C2H4N2O2 Oxalamide 1AgC2h
586 C4H5NO 3-Methylisoxazole 1AC1
587 C4H5NO Isoxazole, 5-methyl- 1AC1
588 C4H6O2 2-Propenoic acid, methyl ester 1AC1
589 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
590 C2H6N2O2 Dimethylnitroamine 1AC1
591 C3H6O3 1,3,5-Trioxane 1A1C1
592 C4H7NO 2-Pyrrolidinone 1AC1
593 C4H7NO Methacrylamide 1AC1
594 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
595 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
596 CH3CH(NH2)COOH Alanine 1AC1
597 CH3NHCH2COOH Sarcosine 1AC1
598 NH2CH2CH2COOH β–alanine 1AC1
599 NH2COOC2H5 Urethane 1AC1
600 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
601 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
602 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
603 NH2CONHC2H5 Urea, ethyl- 1AC1
604 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
605 C4H8O2 1,4-Dioxane 1AgC2h
606 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
607 C3H8O3 1,2,3-Propanetriol 1AC1
608 C4H9NO Butanamide 1AC1
609 C4H9NO Propanamide, 2-methyl- 1AC1
610 C5H10O 2-Butanone, 3-methyl- 1AC1
611 C5H10O 2H-Pyran, tetrahydro- 1A'C1
612 C5H10O 2-Pentanone 1AC1
613 C5H10O 3-Pentanone 1A1C2v
614 C5H10O Cyclopentanol 1AC1
615 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
616 C5H10O Pentanal 1A'C1
617 C4H10O2 1,1-Dimethoxyethane 1A'Cs
618 C4H10O2 1,3-Butanediol 1AC1
619 C4H10O2 1,4-Butanediol 1AgC2h
620 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
621 C4H11NO Diethylhydroxylamine 1A'Cs
622 C5H12O 1-Butanol, 2-methyl- 1AC1
623 C5H12O 1-Butanol, 3-methyl- 1A'Cs
624 C5H12O 1-Pentanol 1A'Cs
625 C5H12O 2-Butanol, 3-methyl- 1AC1
626 C5H12O 2-Pentanol 1AC1
627 C5H12O 3-Pentanol 1AC1
628 C5H12O Butane, 1-methoxy- 1A'Cs
629 C5H12O Propane, 1-ethoxy- 1A'Cs
630 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
631 CF3CN Acetonitrile, trifluoro- 1A1C3v
632 B2F4 Diboron tetrafluoride 1A1D2d
633 B2Cl4 Diboron tetrachloride 1A1D2
634 C2F4 Tetrafluoroethylene 1AgD2h
635 CF3OF Trifluoromethylhypofluorite 1A'Cs
636 SiF5- silicon pentafluoride anion   
637 SOF4 Sulfur tetrafluoride oxide 1A1C2v
638 PF5 Phosphorus pentafluoride 1A1'D3h
639 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
640 C6H5CH2 benzyl radical 2B1Cs
641 C6H5CH3 toluene 1A'Cs
642 C7H12 Norbornane 1A1C2v
643 C7H16 2-methylhexane 1AC1
644 C7H16 heptane 1A1C2v
645 C6H5OH phenol 1A'Cs
646 C6H10O cyclohexanone 1A'Cs
647 PF6- Hexafluorophosphate ion 1A1GOh
648 SF5Cl sulfur chloropentafluoride 1A1C4v
649 C6H5F Fluorobenzene 1A1C2v
650 C6H5CCH phenylacetylene 1A1C2v
651 C6H5CHCH2 Styrene 1A'Cs
652 C8H8 cubane 1A1GOh
653 C8H8 cyclooctatetraene 1A1D2d
654 C6H5CH2CH3 Ethylbenzene 1A'Cs
655 C6H5CN phenyl cyanide 1A1C2v
656 C6H5CHO benzaldehyde 1A'Cs
657 C6H5OCH3 Anisole 1A'Cs
658 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
659 C2F6 hexafluoroethane 1A1gD3d
660 C6H5COOH benzoic acid 1A'Cs
661 C10H16 adamantane 1A1Td
662 C12H10 biphenyl 1AD2

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 Li- Lithium atom anion li-  
8 Li+ Lithium atom cation li+  
9 Na- Sodium atom anion na-  
10 K Potassium atom k  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 LiH Lithium Hydride lih  
17 KH Potassium hydride kh  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Be- Beryllium atom anion be-  
21 Be+ Beryllium atom cation be+  
22 Mg- Magnesium atom anion mg-  
23 Mg+ Magnesium atom cation mg+  
24 Ca Calcium atom ca  
25 Ca- Calcium atom anion ca-  
26 Ca+ Calcium atom cation ca+  
27 Zn Zinc atom zn  
28 Zn- Zinc atom anion zn-  
29 Zn+ Zinc atom cation zn+  
30 CaH Calcium monohydride cah  
31 CaH+ Calcium monohydride cation cah+  
32 TiH Titanium monohydride tih  
33 ZnH Zinc monohydride znh  
34 ZnH+ Zinc, protonated znh+  
35 BeH2+ Beryllium dihydride cation beh2+  
36 CaH2 Calcium Hydride cah2  
37 ZnH2 Zinc hydride znh2  
38 B- Boron atom anion b-  
39 B+ Boron atom cation b+  
40 Al Aluminum atom al  
41 Al- Aluminum atom anion al-  
42 Al+ Aluminum atom cation al+  
43 Sc Scandium atom sc  
44 Sc+ Scandium cation sc+  
45 Ga Gallium atom ga  
46 Ga- Gallium atom anion ga-  
47 Ga+ Gallium atom cation ga+  
48 AlH- aluminum monohydride anion alh-  
49 AlH+ aluminum monohydride cation alh+  
50 ScH Scandium monohydride sch  
51 ScH+ Scandium monohydride cation sch+  
52 GaH Gallium monohydride gah  
53 GaH+ Gallium monohydride cation gah+  
54 BH2- boron dihydride anion bh2-  
55 BH2+ Boron dihydride cation bh2+  
56 AlH2 aluminum dihydride alh2  
57 AlH2- aluminum dihydride anion alh2-  
58 AlH2+ aluminum dihydride cation alh2+  
59 BH3- boron trihydride anion bh3-  
60 AlH3 aluminum trihydride alh3  
61 AlH3- aluminum trihydride anion alh3-  
62 AlH3+ aluminum trihydride cation alh3+  
63 ScH3 Scandium trihydride sch3  
64 GaH3 Gallium trihydride gah3  
65 BH4 borohydride bh4  
66 AlH4- Aluminum tetrahydride anion alh4-  
67 C- Carbon atom anion c-  
68 C+ Carbon atom cation c+  
69 Si- Silicon atom anion si-  
70 Si+ Silicon atom cation si+  
71 Ti Titanium atom ti  
72 Ti- Titanium atom anion ti-  
73 Ti+ Titanium atom cation ti+  
74 Ge Germanium atom ge  
75 Ge- Germanium anion ge-  
76 Ge+ Germanium cation ge+  
77 Sn Tin atom sn  
78 Sn+ Tin cation sn+  
79 SiH Silylidyne sih  
80 SiH- silicon monohydride anion sih-  
81 SiH+ silicon monohydride cation sih+  
82 GeH germylidene geh  
83 GeH+ Germaniun monohyrdide cation geh+  
84 SiH2- silicon dihydride anion sih2-  
85 SiH2+ silicon dihydride cation sih2+  
86 GeH2 germylene geh2  
87 GeH2- germylene anion geh2-  
88 CH3+ methyl cation ch3+  
89 SiH3- Silyl anion sih3-  
90 SiH3+ Silyl cation sih3+  
91 GeH3 Germyl radical geh3  
92 GeH3+ germyl cation geh3+  
93 CD4 methane-d4 cd4  
94 CH2D2 methane-d2 ch2d2  
95 CH3D methane-d ch3d  
96 CH4- Methane anion ch4-  
97 CHD3 methane-d3 chd3  
98 SiH2D2 silane-d2 sih2d2  
99 SiH4+ Silane cation sih4+  
100 GeH4 Germane geh4  
101 SnH4 Stannane snh4  
102 SiH5+ Silane, protonated sih5+  
103 N Nitrogen atom n  
104 N- Nitrogen atom anion n-  
105 N+ Nitrogen atom cation n+  
106 P- Phosphorus atom anion p-  
107 P+ Phosphorus atom cation p+  
108 V Vanadium atom v  
109 V+ Vanadium atom cation v+  
110 As Arsenic atomic as  
111 As- Arsenic anion as-  
112 As+ Arsenic cation as+  
113 Sb Antimony atom sb  
114 PH phosphorus monohydride ph  
115 PH- phosphorus monohydride anion ph-  
116 PH+ phosphorus monohydride cation ph+  
117 AsH Arsenic monohydride ash  
118 AsH+ Arsenic monohydride cation ash+  
119 SbH Antimony monohydride sbh  
120 NH2+ Amino cation nh2+  
121 PH2 Phosphino radical ph2  
122 PH2- Phosphino anion ph2-  
123 PH2+ Phosphino cation ph2+  
124 AsH2 Arsenic dihydride ash2  
125 AsH2+ Arsenic dihydride cation ash2+  
126 NH3- Ammonia anion nh3-  
127 PH3+ Phosphine cation ph3+  
128 AsH3 Arsine ash3  
129 AsH3+ Arsine cation ash3+  
130 SbH3 Stibine sbh3  
131 AsH4+ Arsonium ash4+  
132 NH4 Ammonium radical nh4  
133 PH4 Phosphoranyl radical ph4  
134 O- Oxygen atom anion o-  
135 O+ Oxygen atom cation o+  
136 S- Sulfur atom anion s-  
137 S+ Sulfur atom cation s+  
138 Cr Chromium atom cr  
139 Se Selenium atom se  
140 Se- Selenium atom anion se-  
141 Se+ Selenium atom cation se+  
142 Te Tellurium atom te  
143 Te+ Tellurium atom cation te+  
144 DS Mercapto-d ds  
145 HS- mercapto anion sh-  
146 HS+ sulfur monohydride cation sh+  
147 CrH Chromium hydride crh  
148 CrH+ Chromium hydride cation crh+  
149 HSe Selenium monohydride hse  
150 HSe- selenium monohydride anion hse-  
151 HSe+ selenium monohydride cation hse+  
152 TeH Telluryl radical teh  
153 D2S Hydrogen sulfide-d2 d2s  
154 H2S- Hydrogen sulfide anion h2s-  
155 H2Se Hydrogen selenide h2se  
156 H2Se+ Hydrogen selenide cation h2se+  
157 H2Te Hydrogen Telluride h2te  
158 H3Se+ Hydrogen Selenide, protonated h3se+  
159 F- Fluorine atom anion f-  
160 F+ Fluorine atom cation f+  
161 Cl- Chlorine atom anion cl-  
162 Cl+ Chlorine atom cation cl+  
163 Mn Manganese atom mn  
164 Br Bromine atom br  
165 Br- Bromine atom anion br-  
166 Br+ Bromine atom cation br+  
167 I Iodine atom iodine  
168 I- Iodine atom anion iodine-  
169 I+ Iodine atom cation iodine+  
170 DCl Hydrochloric acid-d dcl  
171 HCl- hydrogen chloride anion hcl-  
172 HBr hydrogen bromide hbr  
173 HBr- hydrogen bromide anion hbr-  
174 HBr+ hydrogen bromide cation hbr+  
175 HI Hydrogen iodide hi  
176 HI+ Hydrogen iodide cation hi+  
177 H2Br+ protonated hydrogen bromide h2br+  
178 H2I+ Iodonium h2i+  
179 Ne- Neon atom anion ne-  
180 Ne+ Neon atom cation ne+  
181 Ar Argon atom ar  
182 Ar- Argon atom anion ar-  
183 Ar+ Argon atom cation ar+  
184 Fe Iron atom fe  
185 Kr Krypton atom kr  
186 Kr+ Krypton cation kr+  
187 Xe Xenon atom xe  
188 HeLi+ Helium Lithium cation heli+  
189 NeH neon hydrogen neh  
190 ArH+ Argon hydride cation arh+  
191 KrH+ Protonated Krypton krh+  
192 XeH+ Xenon, protonated xeh+  
193 H2Ar H2 Ar dimer h2ar  
194 Co Cobalt atom cobalt  
195 Ni Nickel atom ni  
196 Li2+ lithium diatomic cation li2+  
197 LiK Lithium Potassium lik  
198 NaK Sodium Potassium nak  
199 NaK+ Sodium Potassium diatomic cation nak+  
200 K2 Potassium diatomic k2  
201 Cu2 Copper diatomic cu2  
202 LiBe Lithium Beryllium libe  
203 LiMg Lithium magnesium limg  
204 NaBe Sodium Beryllium nabe  
205 NaMg Sodium Magnesium namg  
206 Be2 Beryllium diatomic be2  
207 BeMg Beryllium Magnesium bemg  
208 Ca2 Calcium diatomic ca2  
209 LiB Lithium boride lib  
210 LiAl Lithium Aluminum lial  
211 NaAl Sodium aluminum naal  
212 BeB Beryllium monoboride beb  
213 B2+ Boron diatomic cation b2+  
214 Al2 Aluminum diatomic al2  
215 Al2- aluminum diatomic anion al2-  
216 Al2+ aluminum diatomic cation al2+  
217 BGa Boron Gallium bga  
218 AlGa Aluminum Gallium alga  
219 Ga2 Gallium diatomic ga2  
220 HBBH Diborane(2) hbbh  
221 LiBH4 Lithium borohydride libh4  
222 B2H4 Diborane(4) D2d b2h4  
223 HBHHBH Diborane(4) C2V hbhhbh  
224 B2H6+ Diborane cation b2h6  
225 Al2H6 dialane al2h6  
226 Ga2H6 digallane ga2h6  
227 LiC Lithium Carbide lic  
228 BeC Beryllium Carbide bec  
229 CaC Calcium monocarbide cac  
230 BC boron monocarbide bc  
231 BSi Boron silicide bsi  
232 C2+ carbon diatomic cation c2+  
233 SiC- silicon monocarbide anion sic-  
234 SiC+ silicon monocarbide cation sic+  
235 Si2 Silicon diatomic si2  
236 Si2- silcon diatomic anion si2-  
237 Si2+ silcon diatomic cation si2+  
238 GeC Germanium monocarbide gec  
239 SiGe Silicon Germanium sige  
240 Ge2 Germanium diatomic ge2  
241 ZnCH2 Zinc methylene znch2  
242 H2CC- vinylidene anion h2cc-  
243 HCCH- acetylene anion c2h2-  
244 Si2H2 disilyne si2h2  
245 CuCH3 monomethyl copper cuch3  
246 ZnCH3 Zinc monomethyl znch3  
247 CH2BH methyleneborane ch2bh  
248 C2H3- vinyl anion c2h3-  
249 CH2SiH2 silaethylene ch2sih2  
250 Si2H4 Disilene si2h4  
251 CH3BH2 methylborane ch3bh2  
252 C2H5- Ethyl anion c2h5-  
253 C2H5+ Ethyl cation c2h5+  
254 C2H6+ ethane cation c2h6+  
255 CH3SiH3 methyl silane ch3sih3  
256 GeH3CH3 methyl germane geh3ch3  
257 C2H7+ Ethane, protonated c2h7+  
258 LiP Lithium monophosphide lip  
259 BeN Beryllium mononitride ben  
260 BeN+ Beryllium mononitride cation ben+  
261 MgN Magnesium Nitride mgn  
262 AlN- aluminum mononitride anion aln-  
263 AlN+ aluminum mononitride cation aln+  
264 BP Boron monophosphide bp  
265 AlP Aluminum monophosphide alp  
266 GaN Gallium mononitride gan  
267 GaP Gallium monophosphide gap  
268 GaAs Gallium arsenide gaas  
269 CP Carbon monophosphide cp  
270 CP- carbon monophosphide anion cp-  
271 CP+ carbon monophosphide cation cp+  
272 SiN Silicon nitride sin  
273 SiN- silicon mononitride anion sin-  
274 SiN+ silicon mononitride cation sin+  
275 SiP- Silicon monophosphide anion sip-  
276 SiP+ Silicon monophosphide cation sip+  
277 TiN Titanium mononitride tin  
278 PN Phosphorus mononitride pn  
279 PN- phosphorus nitride anion pn-  
280 PN+ phosphorus nitride cation pn+  
281 P2- phosphorus diatomic anion p2-  
282 P2+ phosphorus diatomic cation p2+  
283 AsN Arsenic mononitride asn  
284 AsP Arsenic monophosphide asp  
285 SbN Antimony nitride sbn  
286 As2 Arsenic diatomic as2  
287 HCN- Hydrogen cyanide anion hcn-  
288 HNC+ hydrogen isocyanide cation hnc+  
289 HCP Phosphaethyne hcp  
290 HCP+ Phosphaethyne cation hcp+  
291 NNH+ Dinitrogen monohydride cation nnh+  
292 HPO Hydrogen phosphorus oxide hpo  
293 HPO+ Hydrogen phosphorus oxide cation hpo+  
294 LiNH2 lithium amide linh2  
295 HBNH Boranimine hbnh  
296 CNH2 Aminomethylidyne radical cnh2  
297 CNH2+ N-protonated hydrogen isocyanide cnh2+  
298 H2CN Dihydrogen cyanide radical h2cn  
299 H2CN+ hydrocyanonium cation h2cn+  
300 HCNH methyleneazane hcnh  
301 HCNH+ N-protonated HCN hcnh+  
302 H2NN Isodiazene h2nn  
303 N2H2 (Z)-Diazene n2h2z  
304 N2H2+ trans-diazene cation n2h2+  
305 CH2NH+ Methanimine cation ch2nh+  
306 CHNH2 aminomethylene chnh2  
307 CHNH2+ Aminocarbene cation chnh2+  
308 BH2NH2 Boranamine bh2nh2  
309 N2H4+ hydrazine cation n2h4+  
310 P2H4 Diphosphine p2h4  
311 CH3NH2+ methyl amine cation ch3nh2+  
312 CH3PH2 Methyl phosphine ch3ph2  
313 SiH3NH2 Silane, amino sih3nh2  
314 N2H5+ protonated hydrazine n2h5+  
315 CH3NH3 methyl ammonium radical ch3nh3  
316 CH3PH3+ methyl phosphine, protonated ch3ph3+  
317 NH3NH3 Ammonia Dimer nh3nh3  
318 N2H7+ ammonia ammonium dimer n2h7+  
319 LiS+ Lithium sulfide cation lis+  
320 KO Potassium monoxide ko  
321 KO+ Potassium monoxide cation ko+  
322 NaS Sodium sulfide nas  
323 CuO Copper Monoxide cuo  
324 LiSe Lithium monoselenide lise  
325 BeS beryllium sulfide bes  
326 CaO Calcium monoxide cao  
327 MgS magnesium sulfide mgs  
328 MgS- magnesium sulfide anion mgs-  
329 MgS+ magnesium sulfide cation mgs+  
330 ZnO zinc monoxide zno  
331 ZnS Zinc sulfide zns  
332 BeS- Beryllium monosulfide anion bes-  
333 BeS+ Beryllium monosulfide cation bes+  
334 AlO Aluminum monoxide alo  
335 AlO- Aluminum monoxide anion alo-  
336 AlO+ aluminum monoxide cation alo+  
337 BS boron sulfide bs  
338 BS- boron monosulfide anion bs-  
339 BS+ boron monosulfide cation bs+  
340 AlS Aluminum sulfide als  
341 AlS- aluminum monosulfide anion als-  
342 AlS+ aluminum monosulfide cation als+  
343 ScO Scandium monoxide sco  
344 GaO Gallium monoxide gao  
345 GaS Gallium monosulfide gas  
346 CS carbon monosulfide cs  
347 CS- carbon monosulfide anion cs-  
348 CS+ carbon monosulfide cation cs+  
349 SiO Silicon monoxide sio  
350 SiO- silicon monoxide anion sio-  
351 SiO+ silicon monoxide cation sio+  
352 SiS silicon monosulfide sis  
353 SiS- silicon monosulfide anion sis-  
354 SiS+ silicon monosulfide cation sis+  
355 TiO Titanium monoxide tio  
356 CSe Carbon monoselenide cse  
357 CSe- Carbon monoselenide anion cse-  
358 CSe+ Carbon monoselenide cation cse+  
359 GeO+ Germanium monoxide cation geo+  
360 GeS Germanium monosulfide ges  
361 SiSe+ Silicon Monoselenide cation sise+  
362 GeSe Germanium monoselenide gese  
363 NS Mononitrogen monosulfide ns  
364 NS- nitrogen sulfide anion ns-  
365 NS+ nitrogen sulfide cation ns+  
366 PO- phosphorus monoxide anion po-  
367 PO+ phosphorus monoxide cation po+  
368 PS- phosphorus monosulfide anion ps-  
369 PS+ phosphorus monosulfide cation ps+  
370 VO Vanadium monoxide vo  
371 AsO Arsenic monoxide aso  
372 NSe Nitrogen monoselenide nse  
373 AsS Arsenic monosulfide ass  
374 PSe Phosphorus monoselenide pse  
375 AsSe Arsenic monoselenide asse  
376 O2-- dioxygen dianion o2--  
377 SO- sulfur monoxide anion so-  
378 SO+ sulfur monoxide cation so+  
379 S2- sulfur diatomic anion s2-  
380 SeO Selenium monoxide seo  
381 SeO- selenium monoxide anion seo-  
382 SeO+ selenium monoxide cation seo+  
383 SeS Selenium monosulfide ses  
384 SeS- selenium monosulfide anion ses-  
385 SeS+ selenium monosulfide cation ses+  
386 TeO Tellurium monoxide teo  
387 Se2- selenium diatomic anion se2-  
388 Se2+ selenium diatomic cation se2+  
389 Te2 Tellurium diatomic te2  
390 KOH Potassium hydroxide koh  
391 CaOH Calcium monohydroxide caoh  
392 HBS hydrogen boron sulfide hbs  
393 COH Hydroxymethylidyne coh  
394 COH+ Carbon Monoxide, protonated coh+  
395 HCO- formyl anion hco-  
396 HCS Thioformyl radical hcs  
397 HCS- Thioformyl anion hcs-  
398 HCS+ Thioformyl cation hcs+  
399 NOH Hydroxyimidogen noh  
400 NOH+ O-protonated nitric oxide noh+  
401 HNS Sulfur imide hns  
402 HNS- Sulfur imide anion hns-  
403 HO2+ Hydroperoxy cation ho2+  
404 HS2 Thiosulfeno radical hs2  
405 H2CO- formaldehyde anion h2co-  
406 HOCH hydroxycarbene hoch  
407 H2CS- thioformaldehyde anion h2cs-  
408 H2CS+ thioformaldehyde cation h2cs+  
409 H2NO nitroxide h2no  
410 H2O2+ Hydrogen peroxide cation h2o2+  
411 H2OO water oxide h2oo  
412 HOSH hydrogen thioperoxide hosh  
413 H2Se2 hydrogen diselenide h2se2  
414 CH3O- methoxy anion ch3o-  
415 CH3O+ Methoxy cation ch3o+  
416 CH3S thiomethoxy ch3s  
417 NH2OH+ Hydroxylamine cation nh2oh+  
418 NH3O Ammonia Oxide nh3o  
419 NH2SH Thiohydroxylamine nh2sh  
420 NH3S sulfidoazane nh3s  
421 H3O2+ hydrogen peroxide, protonated h3o2+  
422 CH3OH- Methyl alcohol anion ch3oh-  
423 CH3OH+ Methyl alcohol cation ch3oh+  
424 CH3SH+ Methanethiol cation ch3sh+  
425 SiH3OH silanol sih3oh  
426 CH3SeH Methane selenol ch3seh  
427 NH2OH2+ protonated hydroxylamine nh2oh2+  
428 NH3OH+ N-protonated hydroxylamine nh3oh+  
429 H2OH2O water dimer h2oh2o  
430 CH3OH2+ Methanol, protonated ch3oh2+  
431 H2ONH3 Water Ammonia Dimer h2onh3  
432 H5O2+ Dihydroxonium ion h5o2+  
433 LiF lithium fluoride lif  
434 LiCl- lithium chloride anion licl-  
435 LiCl+ lithium chloride cation licl+  
436 KF Potassium Fluoride kf  
437 NaCl Sodium Chloride nacl  
438 NaCl- sodium chloride anion nacl-  
439 NaCl+ sodium chloride cation nacl+  
440 KCl Potassium Chloride kcl  
441 CuF Copper monofluoride cuf  
442 LiBr Lithium Bromide libr  
443 LiBr- lithium bromide anion libr-  
444 LiBr+ lithium bromide cation libr+  
445 CuCl Copper monochloride cucl  
446 NaBr Sodium Bromide nabr  
447 NaBr- sodium bromide anion nabr-  
448 NaBr+ sodium bromide cation nabr+  
449 KBr Potassium Bromide kbr  
450 LiI Lithium Iodide lii  
451 NaI Sodium Iodide nai  
452 KI Potassium Iodide ki  
453 BeCl beryllium monochloride becl  
454 CaF Calcium monofluoride caf  
455 MgCl magnesium monochloride mgcl  
456 MgCl- magnesium monochloride anion mgcl-  
457 MgCl+ magnesium monochloride cation mgcl+  
458 CaCl calcium monochloride cacl  
459 TiCl Titanium Monochloride ticl  
460 ZnF Zinc monofluoride znf  
461 ZnF- Zinc monofluoride anion znf-  
462 ZnF+ Zinc monofluoride cation znf+  
463 ZnCl Zinc monochloride zncl  
464 CaBr Calcium monobromide cabr  
465 BeCl- beryllium monochloride anion becl-  
466 BeCl+ beryllium monochloride cation becl+  
467 AlF Aluminum monofluoride alf  
468 AlF- Aluminum monofluoride anion alf-  
469 AlF+ Aluminum monofluoride cation alf+  
470 BCl boron monochloride bcl  
471 BCl- boron monochloride anion bcl-  
472 BCl+ boron monochloride cation bcl+  
473 AlCl- aluminum monochloride anion alcl-  
474 AlCl+ aluminum monochloride cation alcl+  
475 ScF Scandium monofluoride scf  
476 BBr Boron monobromide bbr  
477 GaF Gallium monofluoride gaf  
478 GaF+ Gallium monofluoride cation gaf+  
479 AlBr Aluminum monobromide albr  
480 GaCl Gallium monochloride gacl  
481 GaCl+ Gallium monochloride cation gacl+  
482 AlI Aluminum monoiodide ali  
483 GaBr Gallium monobromide gabr  
484 CCl carbon monochloride ccl  
485 CCl- carbon monochloride anion ccl-  
486 CCl+ carbon monochloride cation ccl+  
487 SiF- silicon monofluoride anion sif-  
488 SiCl Clorosilylidyne sicl  
489 SiCl- silicon monochloride anion sicl-  
490 SiCl+ silicon monochloride cation sicl+  
491 CBr Carbon monobromide cbr  
492 GeF Germanium monofluoride gef  
493 GeF+ Germanium monofluoride cation gef+  
494 GeCl Germanium monochloride gecl  
495 GeCl+ Germanium monochloride cation gecl+  
496 SiBr Silicon monobromide sibr  
497 SiBr+ Silicon monobromide cation sibr+  
498 NCl- nitrogen monochloride anion ncl-  
499 NCl+ nitrogen monochloride cation ncl+  
500 PF phosphorus monofluoride pf  
501 PF- phosphorus monofluoride anion pf-  
502 PF+ phosphorus monofluoride cation pf+  
503 PCl phosphorus chloride pcl  
504 PCl- phosphorus monochloride anion pcl-  
505 PCl+ phosphorus monochloride cation pcl+  
506 AsF Arsenic monofluoride asf  
507 NBr nitrogen monobromide nbr  
508 AsCl Arsenic monochloride ascl  
509 PBr Phosphorus monobromide pbr  
510 SbF Antimony monofluoride sbf  
511 SbCl Antimony monochloride sbcl  
512 ClO- chlorine monoxide anion clo-  
513 ClO+ chlorine monoxide cation clo+  
514 SF- sulfur monofluoride anion sf-  
515 SCl- sulfur monochloride anion scl-  
516 BrO Bromine monoxide bro  
517 BrO- Bromine monoxide anion bro-  
518 BrO+ Bromine monoxide cation bro+  
519 SeF Selenium monofluoride sef  
520 SBr+ Sulfur monobromide cation sbr+  
521 SeCl Selenium monochloride secl  
522 IO Iodine monoxide io  
523 SeBr Selenium monobromide sebr  
524 BrCl Bromine monochloride brcl  
525 ClF- clorine monofluoride anion clf-  
526 ClF+ clorine monofluoride cation clf+  
527 Cl2 Chlorine diatomic cl2  
528 BrF Bromine monofluoride brf  
529 BrF- bromine fluoride anion brf-  
530 BrF+ bromine fluoride cation brf+  
531 BrCl- bromine chloride anion brcl-  
532 BrCl+ bromine chloride cation brcl+  
533 IF Iodine monofluoride if  
534 Br2 Bromine diatomic br2  
535 Br2- bromine diatomic anion br2-  
536 Br2+ bromine diatomic cation br2+  
537 ICl Iodine monochloride icl  
538 IBr Iodine monobromide ibr  
539 I2 Iodine diatomic i2  
540 I2+ Iodine diatomic cation i2+  
541 HCCl Chloromethylene hccl  
542 HSiF fluorosilylene hsif  
543 HSiCl Chlorosilylene hsicl  
544 HSiBr monobromosilylene hsibr  
545 CHBr bromomethylene chbr  
546 DOCl Hypochlorous acid-d docl  
547 HOCl hypochlorous acid hocl  
548 HOCl+ hypochlorous acid cation hocl+  
549 HOBr Hypobromous acid hobr  
550 HOBr+ Hypobromous acid cation hobr+  
551 HOI Hypoiodous acid hoi  
552 F2H+ Fluorine, protonated f2h+  
553 FHF Hydrogen difluoride fhf  
554 FHF- Hydrogen difluoride anion fhf-  
555 ClFH+ Chlorine fluoride, F-protonated clfh+  
556 FClH+ Chlorine fluoride, Cl-protonated fclh+  
557 Cl2H+ Chlorine, protonated cl2h+  
558 CH2Br bromomethyl radical ch2br  
559 CH2F fluoromethyl radical ch2f  
560 CH2F+ fluoromethyl cation ch2f+  
561 CH2Cl+ chloromethyl cation ch2cl+  
562 NH2Cl chloramine nh2cl  
563 CH3F+ methyl fluoride cation ch3f+  
564 CD3F methylfluoride-d3 cd3f  
565 CD3Cl methyl chloride d3 cd3cl  
566 CH3Cl+ Methyl chloride cation ch3cl+  
567 SiH3F monofluorosilane sih3f  
568 CH3Br methyl bromide ch3br  
569 GeH3F monofluorogermane geh3f  
570 GeH3Cl monochlorogermane geh3cl  
571 SiH3Br bromosilane sih3br  
572 CH3I methyl iodide ch3i  
573 SiH3I Silyl Iodide sih3i  
574 NH3Cl+ protonated monochloroammonia nh3cl+  
575 CH3ClH+ methyl chloride, protonated ch3clh+  
576 NH4Cl Ammonium chloride nh4cl  
577 LiNe+ Lithium Neon cation line+  
578 Ne2 Neon diatomic ne2  
579 Ne2+ Neon diatomic cation ne2+  
580 Ar2 Argon diatomic ar2  
581 Ar2+ Argon diatomic cation ar2+  
582 Li3 Lithium trimer li3  
583 Li3+ Lithium trimer cation li3+  
584 SiC2 Silicon dicarbide sic2  
585 C3H3 cyclopropenyl radical cpr  
586 C3H3- Propargyl anion c3h3-  
587 C3H5 Allyl radical allyl  
588 C3H5+ Allyl cation allyl+  
589 CH3CHCH 1-propenyl radical ch3chch  
590 Zn(CH3)2 dimethyl zinc dmz  
591 C3H7+ cyclopropane, protonated c3h7+  
592 CH3CHCH3 Isopropyl radical isopropyl  
593 CH3CHCH3+ Isopropyl cation prop2yl+  
594 SiH2(CH3)2 dimethylsilane dms  
595 LiCN lithium cyanide licn  
596 NaCN Sodium Cyanide nacn  
597 KCN Potassium cyanide kcn  
598 CuCN Copper cyanide cucn  
599 ZnCN Zinc monocyanide zncn  
600 ZnNC Zinc isocyanide znnc  
601 AlCN Aluminum monocyanide alcn  
602 AlNC Aluminum isocyanide alnc  
603 CN2 3H-Diazirin-3-ylidene cn2  
604 CNN Diazocarbene cnn  
605 NCN Cyanoimidogen ncn  
606 N3+ azide cation n3+  
607 HCCN cyanomethylene hccn  
608 HCNN diazomethyl radical hcnn  
609 HN3+ Hydrazoic acid cation hn3+  
610 HNCNH diiminomethane hncnh  
611 CH2N2 diazirine ch2n2  
612 HNNNH+ 1,2-Triazadienium n2h3+  
613 NH2NN+ hydrazoic acid, protonated nh2nn+  
614 CH3CN- acetonitrile anion ch3cn-  
615 CHNCH2 2H-Azirine c157164  
616 CHNHCH 1H-Azirine chnhch  
617 H2CCNH Ethenimine ch2cnh  
618 H2CNCH methyleneaminomethylene ch2nch  
619 HCCNH2 Ethynamine hccnh2  
620 HCNCH2+ 2H-Azirine cation hcnch2+  
621 HNCNH2+ diiminomethane, protonated hncnh2+  
622 NCNH3+ Cyanamide, protonated ncnh3+  
623 NH2CNH+ cyanamide, cn protonated nh2cnh+  
624 NH3CN+ cyanamide, amine protonated nh3cn+  
625 CH2CHNH vinylazine ch2chnh  
626 CH3CHN methylmethaniminyl radical ch3chn  
627 CH2CHNH2 aminoethene aminoethene  
628 CH3CHNH ethanimine ethanimine  
629 NH2BHNH2 diaminoborane nh2bhnh2  
630 C2H5NH+ Protonated Aziridine c2h5nh+  
631 C2H6N+ aziridine, protonated c2h6n+  
632 NH2CH2NH2 diaminomethane nh2ch2nh2  
633 CH3PHCH3 dimethylphosphine ch3phch3  
634 NH2CH2NH3+ diaminoethane, protonated pdam  
635 (CH3)2NH2+ dimethylammonium cation dmam  
636 CH3CH2NH3+ ethylamine, protonated pea  
637 Na2O disodium monoxide na2o  
638 Na2S Sodium sulfide na2s  
639 LiO2 Lithium dioxide lio2  
640 NaO2 Sodium superoxide nao2  
641 CCO Dicarbon monoxide cco  
642 CNO- fulminate cno-  
643 SCN thiocyanato radical scn  
644 SCN- thiocyanide anion scn-  
645 BO2+ Boron dioxide cation bo2+  
646 N2O- Nitrous oxide anion n2o-  
647 PPO Phosphorus oxide phosphide ppo  
648 OCS+ Carbonyl sulfide cation cos+  
649 SiO2 silicon dioxide sio2  
650 CS2 Carbon disulfide cs2  
651 CS2- Carbon disulfide anion cs2-  
652 CS2+ Carbon disulfide cation cs2+  
653 TiO2 Titanium dioxide tio2  
654 GeO2 Germanium dioxide geo2  
655 OCSe Carbonyl selenide ocse  
656 SCSe Carbon sulfide selenide scse  
657 GeS2 Germanium disulfide ges2  
658 CSe2 Carbon diselenide cse2  
659 SCTe Carbon sulfide Telluride scte  
660 PO2 Phosphorus dioxide po2  
661 PO2- Phosphorus dioxide anion po2-  
662 PO2+ Phosphorus dioxide cation po2+  
663 AsO2 Aresenic dioxide aso2  
664 SO2- Sulfur dioxide anion so2-  
665 SO2+ Sulfur dioxide cation so2+  
666 SSO Disulfur monoxide sso  
667 S3- Sulfur trimer anion s3-  
668 SeO2 Selenium dioxide seo2  
669 SeO2+ Selenium dioxide cation seo2+  
670 TeO2 Tellurium Dioxide teo2  
671 CS2H+ Carbon disulfide, protonated cs2h+  
672 HNCS Isothiocyanic acid hncs  
673 HSCN thiocyanic acid hscn  
674 HNNO nitrosoazane hnno  
675 HNNO+ Nitrous oxide, N-protonated hnno+  
676 NNOH+ Nitrous Oxide, O-protonated nnoh+  
677 HCOO formate neutral radical hcoo  
678 O3H+ protonated ozone o3h+  
679 SO2H+ protonated sulfur dioxide so2h+  
680 C2H2O Oxirene oxirene  
681 Be(OH)2 Beryllium hydroxide beo2h2  
682 Mg(OH)2 Magnesium dihydroxide h2mgo2  
683 NH2NO Nitrosamide nh2no  
684 H2COO Dioxymethyl radical h2coo  
685 H2COO+ dioxymethyl cation h2coo+  
686 H2O3 Hydrogen trioxide h2o3  
687 NaOCH3 Sodium methoxide naoch3  
688 CH2BOH hydroxy(methylene)borane ch2boh  
689 BH3CO Borane carbonyl bh3co  
690 CH3BO Borane, methyloxo- ch3bo  
691 CH2CHO Vinyloxy radical ch2cho  
692 CH2COH+ ketene, protonated ch2coh+  
693 CH3CO- Acetyl anion ch3co-  
694 CH3CO+ acetyl cation ch3co+  
695 CH2NOH formaldoxime ch2noh  
696 CH3NO nitrosomethane ch3no  
697 CNOH3 1,2-oxaziridine cnoh3  
698 HOCHNH hydroxymethylimine hochnh  
699 CHSNH2 thioformamide chsnh2  
700 NHCHSH Methanimidothioic acid nhchsh  
701 CH2OOH CH2OOH radical ch2ooh  
702 CH3OO- methylperoxy anion ch3oo-  
703 CH3OO+ methylperoxy cation ch3oo+  
704 C2H4O+ ethylene oxide cation c2h4o+  
705 CH3CHO+ acetaldehyde cation ch3cho+  
706 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
707 CH2CHSH Ethenethiol ch2chsh  
708 H2CONH2+ protonated formamide h2conh2+  
709 NH2CHOH+ Formamide, O-protonated nh2choh+  
710 NH3CHO+ Formamide, N-Protonated nh3cho+  
711 CH2(OH)2 methanediol ch2o2h2  
712 HSCH2SH Methanedithiol ch4s2  
713 H2OH2CO water formaldehyde dimer h2oh2co  
714 C2H4OH+ ethylene oxide, protonated c2h4oh+  
715 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
716 CH3CH2O Ethoxy radical ethoxy  
717 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
718 CH3CHOH+ acetaldehyde, protonated ch3choh+  
719 CH3OCH2 methoxymethyl radical ch3och2  
720 NH2CH2OH aminomethanol nh2ch2oh  
721 CH3SCH3 Dimethyl sulfide mesme  
722 CH3SCH3+ dimethyl sulfide cation mesme+  
723 CH3SeCH3 dimethylselenide dmse  
724 CH3OHH2O methanol water dimer ch3ohh2o  
725 H2OCH3OH water methanol dimer h2och3oh  
726 CuF2 Copper difluoride cuf2  
727 ZnF2 Zinc difluoride znf2  
728 CNF iso cyanogen fluoride cnf  
729 ClCN chlorocyanogen clcn  
730 BrCN Cyanogen bromide brcn  
731 ICN Cyanogen iodide icn  
732 FBO Boron monofluoride monoxide fbo  
733 BeF2 Beryllium fluoride bef2  
734 MgF2 Magnesium fluoride mgf2  
735 BeCl2 Beryllium chloride becl2  
736 MgCl2 Magnesium dichloride mgcl2  
737 CaCl2 Calcium Chloride cacl2  
738 ZnCl2 Zinc dichloride zncl2  
739 BeBr2 Beryllium bromide bebr2  
740 CaBr2 Calcium dibromide cabr2  
741 CaF2 Calcium difluoride caf2  
742 FCO Carbonyl fluoride fco  
743 FCO+ Carbonyl fluoride cation fco+  
744 ClCO carbonyl monochloride clco  
745 BF2 Boron difluoride radical bf2  
746 ClNO Nitrosyl chloride clno  
747 BrNO Nitrosyl bromide brno  
748 INO Nitrosyl iodide ino  
749 CFCl chlorofluoromethylene cfcl  
750 SiF2 Silicon difluoride sif2  
751 SiF2+ Silicon difluoride cation sif2+  
752 CCl2 dichloromethylene ccl2  
753 CCl2- dichloromethylene anion ccl2-  
754 CCl2+ dichloromethylene cation ccl2+  
755 SiCl2 Dichlorosilylene sicl2  
756 GeF2 Germanium difluoride gef2  
757 CBr2 dibromomethylene cbr2  
758 FOO Dioxygen monofluoride radical foo  
759 FOO+ Fluorine dioxide cation foo+  
760 ClOO chloroperoxy radical cloo  
761 ClOO+ chloroperoxy cation cloo+  
762 OClO- Chlorine dioxide anion oclo-  
763 OClO+ Chlorine dioxide cation oclo+  
764 ClS2 Sulfur chloride cls2  
765 BrOO Bromine dioxide broo  
766 OBrO Bromine dioxide radical obro  
767 PF2 Phosphorus difluoride pf2  
768 PF2+ Phosphorus difluoride cation pf2+  
769 SF2- sulfur difluoride anion sf2-  
770 SF2+ sulfur difluoride cation sf2+  
771 Cl2O Dichlorine monoxide cl2o  
772 SeF2 Selenium difluoride sef2  
773 BrOCl Bromine hypochlorite brocl  
774 BrOBr Bromine oxide brobr  
775 F3- trifluoride anion f3-  
776 Cl3- trichloride anion cl3-  
777 Br3- tribromide anion br3-  
778 I3- triiodide i3-  
779 SFCl Sulfur chloride fluoride sfcl  
780 HCCF+ fluoroacetylene cation hccf+  
781 HCCCl Chloroacetylene hcccl  
782 HCCBr bromoacetylene hccbr  
783 HFCO+ formyl fluoride cation hfco+  
784 COHCl Formyl chloride cohcl  
785 COHBr Formyl bromide cohbr  
786 BHCl2 Borane, dichloro- bhcl2  
787 CHCl2 dichloromethyl radical chcl2  
788 CHF2 difluoromethyl radical chf2  
789 CHF2+ difluoromethyl cation chf2+  
790 CHFCl Chlorofluoromethyl radical chfcl  
791 CHFCl+ Chlorofluoromethyl cation chfcl+  
792 CHCl2+ dichloromethyl cation chcl2+  
793 CHBr2 dibromomethyl radical chbr2  
794 HOClO Chlorous acid hoclo  
795 NHF2 difluoramine nhf2  
796 NHCl2 dichloroamine nhcl2  
797 CH2FCl fluorochloromethane ch2fcl  
798 SiH2F2 difluorosilane sih2f2  
799 CH2BrF Methane, bromofluoro- ch2fbr  
800 CH2BrCl Methane, bromochloro- ch2clbr  
801 CH2FI fluoroiodomethane ch2fi  
802 CH2Br2 dibromomethane ch2br2  
803 CH2ClI chloroiodomethane ch2cli  
804 CH2BrI bromoiodomethane ch2bri  
805 CH2I2 Diiodomethane ch2i2  
806 SiH2Cl2 dichlorosilane sih2cl2  
807 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
808 CH2CHF+ fluoroethene cation ch2chf+  
809 C2H3Cl Ethene, chloro- ch2chcl  
810 C2H3Br vinyl bromide c2h3br  
811 C2H3I Vinyl iodide c2h3i  
812 CH2FOH fluoromethanol ch2foh  
813 CH3OCl methyl hypochlorite ch3ocl  
814 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
815 CHClCH3 1-chloroethyl radical chclch3  
816 CH3CH2Cl Ethyl chloride c2h5cl  
817 CH3SiFH2 fluoromethylsilane ch3sifh2  
818 C2H5Br Ethyl bromide etbr  
819 C2H5I Ethyl iodide c2h5i  
820 KrF2 Krypton difluoride krf2  
821 XeF2 Xenon difluoride xef2  
822 B4H10 Tetraborane(10) b4h10  
823 C4H2+ diacetlyene cation c4h2+  
824 C4H4 cyclobutadiene cbd  
825 C4H4 Tetrahedrane c4h4  
826 CHCCH2CH3 1-Butyne c107006  
827 CH3CHCHCH2 methylallyl radical c4h7  
828 C4H8 methylcyclopropane mcp  
829 B(CH3)3 trimethylborane bme3  
830 Al(CH3)3 trimethyl aluminum tma  
831 SiH(CH3)3 trimethylsilane trimsi  
832 Li3N trilithium nitride li3n  
833 P4 Phosphorus tetramer p4  
834 As4 Arsenic tetramer as4  
835 H2CNCN cyanamide, methylene ch2ncn  
836 HNCCNH Ethenediimine hnccnh  
837 C3H3N+ acrylonitrile cation ch2chcn+  
838 CH3N3 methyl azide ch3n3  
839 NH2CCNH2 Diaminoacetylene daa  
840 NH2CH2CN Aminoacetonitrile aan  
841 CH3NHN2+ methyl azide, protonated ch3nhn2+  
842 C2H5CN ethyl cyanide c2h5cn  
843 CH5N3 Guanidine guanidine  
844 C4H6 Bicyclo[1.1.0]butane c157335  
845 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
846 H2NCHCHNH2 diaminoethylene dae  
847 CH6N3+ guanidinium ch6n3+  
848 CH7N3 triaminomethane tam  
849 C3H7N Azetidine azet  
850 NH2CH2CH2CH3 1-Propanamine pram1  
851 P(CH3)3 trimethylphosphine tmp  
852 N(SiH3)3 trisilylamine tsa  
853 As(CH3)3 trimethyl arsine tmas  
854 (CH3)3NH+ protonated trimethyl amine ptma  
855 C3H7NH3+ n-propylamine, protonated c3h7nh2  
856 Li2O2 dilithium dioxide li2o2  
857 Na2O2 disodium dioxide na2o2  
858 K2O2 dipotassium dioxide k2o2  
859 C3O Tricarbon monoxide c3o  
860 ONNO NO dimer onno  
861 CO3 Carbon trioxide co3  
862 NO3- nitrate anion no3-  
863 SO3- Sulfur trioxide anion so3-  
864 SO3-- Sulfate dianion so3--  
865 SO3+ Sulfur trioxide cation so3+  
866 SeO3 selenium trioxide seo3  
867 TeO3 Tellurium trioxide teo3  
868 HCO3- bicarbonate anion hco3-  
869 HSO3 Hydroxysulfonyl radical hso3  
870 NH2NO2 nitramide nh2no2  
871 C2H2CO cyclopropenone c2h2co  
872 C3H2O Propadienal c3h2o  
873 HCCCHO 2-propynal hcccho  
874 C2H2O2+ Ethanedial cation c2h2o2+  
875 H2CO3 Carbonic acid h2co3  
876 H2CS3 thiocarbonic acid h2cs3  
877 H2NO3+ Nitric Acid, Protonated h2no3+  
878 H2SO3 Sulfurous acid h2so3  
879 C2H3NO Nitrosoethylene c2h3no  
880 CH3NCO methylisocyante ch3nco  
881 HOCH2CN cyanomethanol hoch2cn  
882 NH2COOH Carbamic acid nh2cooh  
883 H3CO3+ carbonic acid, protonated h3co3+  
884 C3H4O 2-Propyn-1-ol c107197  
885 C3H4O Methylketene c6004440  
886 NH2CONH2+ Urea cation urea+  
887 NH2CSNH2 Thiourea thiourea  
888 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
889 NH3COOH+ protonated Carbamic acid nh3cooh+  
890 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
891 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
892 HCOOHH2O Formic acid water dimer hcoohh2o  
893 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
894 CH3COCH2 Acetonyl radical ch3coch2  
895 CH2C(OH)NH2 1-amino vinyl alchohol ava  
896 CH3C(OH)=NH Ethaninidic acid eia  
897 HCONHCH3 N-methylformamide nmfa  
898 CH5N2O+ urea, N-protonated ch4n2o+  
899 H2NCOHNH2+ urea, protonated ureah+  
900 C2H5OO ethylperoxy radical c2h5oo  
901 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
902 C3H5OH Cyclopropanol cproh  
903 C3H6O 2-Propen-1-ol c107186  
904 C3H6O Acetone enol enol  
905 C3H6O Oxetane oxetane  
906 CH3COCH3- acetone anion ch3coch3-  
907 C3H6S Thietane thietane  
908 C3H6S Thiirane, methyl- methiirane  
909 CH3CSCH3 Thioacetone ch3csch3  
910 CH3SOCH3 Dimethyl sulfoxide dmso  
911 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
912 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
913 CH3COHCH3+ acetone, protonated acetoneh+  
914 HOCH2CH2NH2 monoethanolamine mea  
915 C3H7SH 1-Propanethiol prsh  
916 CH3CHSHCH3 2-Propanethiol isoprsh  
917 CH3SCH2CH3 Ethane, (methylthio)- etsme  
918 H2OCH3OCH3 water dimethylether dimer h2och3och3  
919 Li2F2 Lithium fluoride dimer li2f2  
920 Na2F2 Sodium Fluoride Dimer na2f2  
921 Na2Cl2 Disodium dichloride na2cl2  
922 C2Cl2 dichloroacetylene c2cl2  
923 C2Cl2+ dichloroacetylene cation c2cl2+  
924 FNO2 Nitryl fluoride fno2  
925 FONO Nitrosyl hypofluorite fono  
926 ClNO2 Nitryl chloride clno2  
927 ClONO chlorine nitrite clono  
928 BrONO Bromine nitrite brono  
929 CF2O+ Carbonic difluoride cation f2co+  
930 COFCl Carbonic chloride fluoride cofcl  
931 CCl2O Phosgene cl2co  
932 COBr2 Carbonic dibromide cobr2  
933 BClF2 Chlorodifluoroborane bclf2  
934 AlF2Cl Aluminum chloride difluoride alclf2  
935 ScF3 Scandium trifluoride ScF3  
936 AlFCl2 Aluminum dichloride fluoride alcl2f  
937 BCl3 Borane, trichloro- bcl3  
938 BCl3+ Boron Trichloride cation bcl3+  
939 GaF3 Gallium trifluoride gaf3  
940 AlCl3 Aluminum trichloride alcl3  
941 GaCl3 Gallium trichloride gacl3  
942 BBr3 Boron tribromide bbr3  
943 AlBr3 Aluminum Bromide albr3  
944 ClO3 Chlorine trioxide clo3  
945 ClO3- chlorate anion clo3-  
946 BrO3- Bromate anion bro3-  
947 CF2Cl difluorochloromethyl radical cf2cl  
948 SiF3 Silicon trifluoride radical sif3  
949 SiF3+ Silicon trifluoride cation sif3+  
950 CFCl2 dichlorofluoromethyl radical cfcl2  
951 CCl3 Trichloromethyl radical ccl3  
952 CCl3- Trichloromethyl anion ccl3-  
953 CCl3+ Trichloromethyl cation ccl3+  
954 SiCl3 trichlorosilyl radical sicl3  
955 SiCl3+ trichlorosilyl cation sicl3+  
956 CBr3 tribromomethyl radical cbr3  
957 FOOF Perfluoroperoxide foof  
958 ClOOCl Dichlorine dioxide cloocl  
959 SOCl2 thionyl chloride socl2  
960 SeOCl2 selenium oxychloride seocl2  
961 PF3 Phosphorus trifluoride pf3  
962 NCl3 nitrogen trichloride ncl3  
963 AsF3 Arsenic trifluoride asf3  
964 PCl3 Phosphorus trichloride pcl3  
965 SbF3 Antimony Trifluoride sbf3  
966 AsCl3 Arsenous trichloride ascl3  
967 SbCl3 Antimony Trichloride sbcl3  
968 NBr3 Nitrogen Tribromide nbr3  
969 PBr3 Phosphorus tribromide pbr3  
970 AsBr3 Arsenic tribromide asbr3  
971 NI3 Nitrogen triiodide ni3  
972 PI3 Phosphorus triiodide pi3  
973 ClSSCl Disulfur dichloride s2cl2  
974 BrF3 Bromine trifluoride brf3  
975 IF3 iodone trifluoride if3  
976 CHF2Cl difluorochloromethane chf2cl  
977 SiHF3 trifluorosilane sihf3  
978 CHFCl2 fluorodichloromethane chfcl2  
979 CDCl3 trichloromethane-d cdcl3  
980 CHCl3 Chloroform chcl3  
981 CHBrF2 Methane, bromodifluoro- chbrf2  
982 SiHCl3 Trichlorosilane sihcl3  
983 CHFClBr fluorochlorobromomethane chfclbr  
984 CHBrCl2 Methane, bromodichloro- chbrcl2  
985 CHF2I difluoroiodomethane chf2i  
986 CHBr2F dibromofluoromethane chbr2f  
987 CHFClI fluorochloroiodomethane chfcli  
988 CHCl2I dichloroiodomethane chcl2i  
989 CHClBr2 Methane, dibromochloro- chclbr2  
990 CHBr3 bromoform chbr3  
991 CHI3 Iodoform chi3  
992 NF3H+ protonated nitrogen trifluoride nf3h+  
993 AsF3H+ Arsenic trifluoride, protonated asf3h+  
994 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
995 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
996 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
997 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
998 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
999 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1000 C2H2Br2 1,1-dibromoethene c2h2br2  
1001 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1002 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1003 CH2FCHO Fluoroacetaldehyde ch2fcho  
1004 CH2ClCHO chloroacetaldehyde ch2clcho  
1005 CH3COCl Acetyl Chloride ch3cocl  
1006 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1007 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1008 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1009 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1010 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1011 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1012 CH2CFCH3 2-fluoropropene 2fpro  
1013 CH2CHCH2F Allyl Fluoride allylf  
1014 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1015 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1016 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1017 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1018 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1019 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1020 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1021 CH2FCH2CH3 1-Fluoropropane prf1  
1022 CH3CHFCH3 2-Fluoropropane prf2  
1023 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1024 CH3CHClCH3 Propane, 2-chloro- prcl2  
1025 CH3CH2CH2Br n-propyl bromide prbr  
1026 CH3CHBrCH3 i-propyl bromide iprbr  
1027 C3H9O+ trimethyl oxonium cation c3h9o+  
1028 B5H9 pentaborane9 b5h9  
1029 C5H4 pentatetraene ptrene  
1030 C5H5 cyclopentadienyl radical c5h5  
1031 C5H6 Propellane propellane  
1032 C5H7 1,3-pentadienyl radical pdyl  
1033 C5H7 cyclopentenyl radical cpyl  
1034 C5H8 1-pentyne a1pentyne  
1035 C5H8 Bicyclo[1.1.1]pentane bcp  
1036 C5H8 Ethenylcyclopropane c693867  
1037 CH3CCCH2CH3 2-Pentyne 2pentyne  
1038 C5H10 Cyclopentane c287923  
1039 Si(CH3)4 tetramethylsilane tms  
1040 CH2N4 1H-Tetrazole 1htz  
1041 C3H3N2 imidazolyl radical im  
1042 C3H3N2- imidizolyl anion im-  
1043 C2H3N3 1H-1,2,4-Triazole c288880  
1044 C4H4N pyrrolide radical c4h4n  
1045 C4H4N- pyrrolide anion c4h4n-  
1046 C3H4N2 2H-Imidazole imid2h  
1047 C3H4N2 4H-Imidazole imid4h  
1048 C4H5N 2H-pyrrole pyrrole2  
1049 C4H5N 3H-pyrrole pyrrole3  
1050 CH2CHCH2CN Allylcyanide ch2chch2cn  
1051 C4H6N+ pyrrole, alpha-protonated appyr  
1052 C4H6N+ pyrrole, beta-protonated bppyr  
1053 C4H6N+ pyrrole, protonated ppyr  
1054 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1055 CH3CH2CH2CN Butanenitrile c109740  
1056 NH(C2H5)2 diethylamine dea  
1057 NC4H12+ tetramethyl ammonium cation nc4h12+  
1058 B2O3 diboron trioxide b2o3  
1059 MgCO3 Magnesium Carbonate mgco3  
1060 BeCO3 Beryllium Carbonate beco3  
1061 CaCO3 Calcium Carbonate caco3  
1062 ONONO Nitrosyl nitrite onono  
1063 PO4--- phosphate po4---  
1064 SO4-- sulfate so4--  
1065 HOONO2 peroxy nitric acid hoono2  
1066 HSO4- bisulfate anion hso4-  
1067 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1068 C3H2O2 Propiolic acid c3h2o2  
1069 CHOCOOH oxo acetic acid oaa  
1070 CHOOCHO diformyl ether choocho  
1071 H2SeO4 Selenic acid h2seo4  
1072 C3H3NO Oxazole oxazole  
1073 C3H3NS Thiazole thiazole  
1074 CH3C(O)OO acetyl peroxy radical ch3coo2  
1075 H3PO4 Phosphoric Acid h3po4  
1076 C4H4O+ Furan cation furan+  
1077 CH3COCCH 3-butyn-2-one c1423605  
1078 C4H4S Thiophene furans  
1079 C4H4Se selenophene c4h4se  
1080 C3H4O2 Methyl glyoxal megly  
1081 HOCHCCHOH allenediol aldiol  
1082 C2H4O3 1,2,3-trioxolane c2h4o3  
1083 C2H4O3 trioxolane124 triox  
1084 HOCH2COOH Hydroxyacetic acid hac  
1085 CH5N3S Hydrazinecarbothioamide c79196  
1086 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1087 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1088 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1089 CH2CHSCHCH2 Divinyl sulfide divis  
1090 CH3CH2COOH Propanoic Acid propanoic  
1091 HCOOC2H5 Ethyl formate faee  
1092 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1093 C4H8O Furan, tetrahydro- thf  
1094 C4H8S Thiophene, tetrahydro- tht  
1095 C3H8S2 1,3-Propanedithiol c109808  
1096 C4H10O 1-Butanol butanol1  
1097 C4H10O Methyl propyl ether meopr  
1098 C4H10O+ 1-Butanol cation butanol1+  
1099 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1100 C2H5SC2H5 Diethyl sulfide etset  
1101 C4H9SH 1-Butanethiol bush  
1102 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1103 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1104 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1105 ClONO2 Chlorine nitrate clono2  
1106 BrONO2 Bromine nitrate brono2  
1107 TiCl4 Titanium tetrachloride ticl4  
1108 ClO4- perchlorate anion clo4-  
1109 ClFO3 Perchloryl fluoride clfo3  
1110 SO2F2 Sulfuryl fluoride so2f2  
1111 SO2Cl2 Sulfuryl chloride so2cl2  
1112 F3PO Phosphoryl fluoride pf3o  
1113 Cl3PO Phosphoryl chloride pcl3o  
1114 CF3Cl Methane, chlorotrifluoro- cf3cl  
1115 SiF4 Silicon tetrafluoride sif4  
1116 TiF4 Titanium tetrafluoride tif4  
1117 CFCl3 Trichloromonofluoromethane cfcl3  
1118 CF3Br Bromotrifluoromethane cf3br  
1119 GeF4 Germanium tetrafluoride gef4  
1120 CCl4 Carbon tetrachloride ccl4  
1121 CCl4+ Carbon tetrachloride cation ccl4+  
1122 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1123 SiCl4 Silane, tetrachloro- sicl4  
1124 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1125 CF3I trifluoroiodomethane cf3i  
1126 CBrCl3 Methane, bromotrichloro- cbrcl3  
1127 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1128 GeCl4 Germanium Tetrachloride gecl4  
1129 CBr2ClF dibromochlorofluoromethane cbr2clf  
1130 CBr2Cl2 dibromodichloromethane cbr2cl2  
1131 CCl3I trichloroiodomethane ccl3i  
1132 CFBr3 fluorotribromomethane cfbr3  
1133 CFClBrI fluorochlorobromoiodomethane cfclbri  
1134 CBr3Cl tribromochloromethane cbr3cl  
1135 CF2I2 difluorodiiodomethane cf2i2  
1136 CBr4 Carbon tetrabromide cbr4  
1137 CCl2I2 dichlorodiiodomethane ccl2i2  
1138 SiBr4 Silicon tetrabromide sibr4  
1139 CBr3I tribromoiododmethane cbr3i  
1140 GeBr4 Germanium tetrabromide gebr4  
1141 CI4 tetraiodomethane ci4  
1142 SiI4 silicon tetraiodide sii4  
1143 ClOF3 Chlorine trifluoride oxide clof3  
1144 SeF4 Selenium tetrafluoride sef4  
1145 SCl4 Sulfur tetrachloride scl4  
1146 CHClCCl2 Trichloroethylene chclccl2  
1147 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1148 HSO3F Fluorosulfonic acid hso3f  
1149 CF3OH trifluoromethanol cf3oh  
1150 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1151 CHClCCHCl 1,3-dichloroallene chclcchcl  
1152 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1153 CHCl2CHO dichloroacetaldehyde chcl2cho  
1154 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1155 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1156 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1157 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1158 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1159 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1160 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1161 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1162 NH3BCl3 Amminetrichloroboron nh3bcl3  
1163 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1164 C3H5ClO Oxirane, (chloromethyl)- c106898  
1165 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1166 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1167 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1168 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1169 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1170 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1171 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1172 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1173 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1174 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1175 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1176 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1177 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1178 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1179 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1180 C4H9F 1-fluorobutane butaf1  
1181 CH3CHFCH2CH3 2-fluorobutane butaf2  
1182 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1183 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1184 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1185 XeF4 Xenon tetrafluoride xef4  
1186 C2H2N2O Furazan furazan  
1187 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1188 NH3BF3 Amminetrifluoroboron nh3bf3  
1189 C6H2 hexatriyne c6h2  
1190 C6H5- phenyl anion phenyl-  
1191 C6H6 Prismane prismane  
1192 C6H6 1,2,4,5-Hexatetraene ht1245  
1193 C6H6 3,4-Dimethylenecyclobutene cb34m  
1194 C6H6 Benzvalene bv  
1195 C6H6 Dewar Benzene dewar  
1196 C6H6 Hexa-1,5-diene-3-yne hdy153  
1197 C6H6 Trimethylenecycopropane tmcp  
1198 C6H6+ Benzene cation c6h6+  
1199 C6H7+ benzene, protonated c6h7+  
1200 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1201 C6H10 1,5-Hexadiene c592427  
1202 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1203 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1204 C6H12 (E)-2-Hexene e2hexene  
1205 C6H12 (E)-hex-3-ene e3hexene  
1206 C6H12 (Z)-hex-2-ene z2hexene  
1207 C6H12 (Z)-hex-3-ene z3hexene  
1208 C6H12 2,3-dimethylbut-1-ene c563780  
1209 C6H12 2,3-dimethyl-but-2-ene tmeet  
1210 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1211 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1212 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1213 C4H2N2 Fumaronitrile c4h2n2  
1214 C5H5N E-2,4-pentadienenitrile bdcn  
1215 C5H6N+ Pyridinium c5h6n  
1216 C6H10 Bicyclo[3.1.0]hexane c285585  
1217 Li2CO3 Lithium Carbonate li2co3  
1218 Na2CO3 Sodium Carbonate na2co3  
1219 MgSO4 Magnesium Sulfate mgso4  
1220 C3H2O3 vinylene carbonate vica  
1221 C2H2O4 Oxalic Acid oxalic  
1222 C4H4O2 2(5H)-Furanone furanone  
1223 C2H4N2S2 Ethanedithioamide c79403  
1224 C2H4CO3 Ethylene carbonate etco3  
1225 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1226 C3H4S3 1,3-Dithiolane-2-thione c822388  
1227 C2H4O4 Formic acid dimer fadimer  
1228 C4H5NS 4-Methylthiazole c693958  
1229 C2H5NO3 Nitric acid, ethyl ester c625581  
1230 C5H6O 2H-Pyran pyran2  
1231 C5H6O 2-methylfuran furan2m  
1232 C5H6O 3-Methylfuran furan3m  
1233 C5H6O Pentadienal pdal  
1234 C5H6S Thiophene, 2-methyl- c554143  
1235 C5H6S Thiophene, 3-methyl- c616444  
1236 C4H6O2 Crotonic Acid crot  
1237 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1238 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1239 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1240 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1241 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1242 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1243 C4H6OS Vinyl sulfoxide c1115157  
1244 CH6N4S Carbonothioic dihydrazide thiacarb  
1245 C3H6S3 1,3,5-Trithiane c3h6s3  
1246 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1247 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1248 C4H7NO Ethoxyacetonitrile etoaccn  
1249 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1250 C3H7ONO Propyl nitrite prono  
1251 C5H8O Cyclopentanone c120923  
1252 C5H8O Methyl cyclopropyl ketone c765435  
1253 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1254 C4H8O2 Ethyl acetate c141786  
1255 C4H8OS s-Ethyl thioacetate c625605  
1256 C3H8O2S (Methylsulfonyl)ethane c594434  
1257 C5H10O 2-methylbutyraldehyde 2meba  
1258 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1259 C5H10S 3-Ethylthio-1-propene c5296628  
1260 C5H10S Cyclopentanethiol c1679078  
1261 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1262 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1263 C4H10OS Diethyl sulfoxide c70291  
1264 C4H10S2 1,4-Butanedithiol budisl14  
1265 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1266 C5H12S 1-Butanethiol, 3-methyl- c541311  
1267 C5H12S 1-Pentanethiol c110667  
1268 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1269 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1270 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1271 C5H12S Butane, 1-(methylthio)- c628295  
1272 C5H12S Ethyl propyl sulfide c4110503  
1273 C5H12S Propane, 2-(ethylthio)- c5145993  
1274 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1275 C4F2 difluorobutadiyne c4f2  
1276 ClCOClCO Oxalyl chloride oxcl  
1277 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1278 C2F4+ Tetrafluoroethylene cation c2f4+  
1279 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1280 CF2CCl2 difluorodichloroethylene cf2ccl2  
1281 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1282 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1283 C2FCl3 fluorotrichloroethene c2fcl3  
1284 C2Cl4 Tetrachloroethylene c2cl4  
1285 C2Br4 tetrabromoethene c2br4  
1286 AsF5 Arsenic pentafluoride asf5  
1287 PCl5 Phosphorus pentachloride pcl5  
1288 SF5 Sulfur pentafluoride sf5  
1289 SF5+ pentafluoro sulfur cation sf5+  
1290 SbCl5 Antimony pentachloride sbcl5  
1291 BrF5 bromine pentafluoride brf5  
1292 ClF5 chlorinepentafluoride clf5  
1293 IF5 pentafluoroiodine if5  
1294 CF3CHO trifluoroacetaldehyde cf3cho  
1295 CCl3CHO trichloroacetaldehyde ccl3cho  
1296 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1297 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1298 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1299 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1300 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1301 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1302 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1303 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1304 CF3COOH trifluoroacetic acid cf3cooh  
1305 C4H3ClO Furan, 2-chloro fur2cl  
1306 C4H3ClO Furan,3-chloro fur3cl  
1307 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1308 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1309 C4H8Cl2 1,4-Dichlorobutane c110565  
1310 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1311 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1312 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1313 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1314 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1315 C5H11Cl Pentane, 1-chloro- pencl1  
1316 C4H8O2 Butanoic acid bua  
1317 C7H7 cycloheptatrienyl radical c7h7  
1318 C7H7+ cycloheptatrienyl cation c7h7+  
1319 C7H8 cycloheptatriene cht  
1320 C7H8 Norbornadiene norbor  
1321 C7H8 Quadricyclane qucy  
1322 C7H14 cycloheptane c7h14  
1323 CH(CN)3 tricyanomethane mecn3  
1324 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1325 C6H7N 2-Methylpyridine mp  
1326 C6H5NH2 aniline aniline  
1327 C6H13N 2-Methylpiperidine pip2m  
1328 C6H13N cyclohexanamine cham  
1329 C6H15N triethylamine tea  
1330 N2O5 Dinitrogen pentoxide n2o5  
1331 C4H2O3 Maleic Anhydride malan  
1332 C6H5O phenoxy radical phenoxy  
1333 C5H5NO 2(1H)-Pyridinone c72762006  
1334 C5H5NO 2(3H)-Pyridinone c9000048  
1335 C5H5NO 2(5H)-Pyridinone c9000037  
1336 C5H5NO 2-Pyridinol c109104  
1337 C5H5NO 3(2H)-Pyridinone c9000004  
1338 C5H5NO 3(4H)-Pyridinone c9000026  
1339 C5H5NO 3(6H)-Pyridinone c9000015  
1340 C5H5NO 3-Pyridinol c109002  
1341 C5H5NO 4(1H)-Pryidinone c9000060  
1342 C5H5NO 4(3H)-Pryidinone c9000059  
1343 C5H5NO 4-Pyridinol c626642  
1344 C6H6O 2,4-Cyclohexadienone c24599573  
1345 C6H6O 2,5-Cyclohexadienone c5664335  
1346 C6H5SH Benzenethiol phsh  
1347 HO2CCHNH2CH2OH Serine serine  
1348 C5H8O2 Acetylacetone acac  
1349 C4H8O2S Sulfolane sulfolane  
1350 C7H10 Norbornene norbornene  
1351 CH(C2H3)3 trivinyl methane tvm  
1352 C6H12O hexanal c6h12o  
1353 C6H12O Oxepane oxepane  
1354 C3H7OC3H7 di-n-propyl ether propr  
1355 F2CCCF2 tetrafluoroallene pfa  
1356 CF3COO- trifluoro acetate anion cf3coo-  
1357 CF3COF trifluoroacetyl fluoride cf3cof  
1358 CF3COCl trifluoroacetyl chloride cf3cocl  
1359 PF6 Hexafluorophosphate neutral pf6  
1360 SF6 Sulfur Hexafluoride sf6  
1361 SeF6 Selenium hexafluoride sef6  
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 C6H5Cl chlorobenzene bzcl  
1368 C6H5Br bromobenzene bzbr  
1369 C8H6 Calicene calicene  
1370 C8H6 benzocyclobutadiene bcbd  
1371 C8H6 Pentalene pentalene  
1372 CH3C6H4CH3 meta-xylene mxylene  
1373 CH3C6H4CH3 paraxylene pxylene  
1374 C8H14 Bicyclo[2.2.2]octane bico222  
1375 C8H16 cyclooctane cyclooct  
1376 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1377 C4O4-- squarate dianion c4o4--  
1378 S4N4 Tetrasulfur tetranitride s4n4  
1379 S8 Octasulfur s8  
1380 C4H4N2O2 Uracil uracil  
1381 C5H9NO2 Proline proline  
1382 C6H12O2 Methyl pivalate c598981  
1383 C6H12O2 Hexanoic acid hexa  
1384 C4F4 tetrafluorcyclobutadiene c4f4  
1385 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1386 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1387 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1388 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1389 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1390 C2Cl6 hexachloroethane c2cl6  
1391 IF7 Iodine heptafluoride if7  
1392 C6H4F2 metadifluorobenzene mdfb  
1393 C6H4Cl2 1,2-dichlorobenzene dcb12  
1394 C6H4Cl2 1,3-dichlorobenzene dcb13  
1395 C6H4Cl2 1,4-dichlorobenzene dcb14  
1396 C6H5NO nitrosobenzene bzno  
1397 C9H8 Indene indene  
1398 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1399 C9H12 n-propyl benzene prbz  
1400 C9H20 Nonane nonane  
1401 C(CN)4 tetracyanomethane c5n4  
1402 C5H4N4 purine purine  
1403 C8H7N Indole indole  
1404 C3H3N3O3 cyanuric acid cyanuric  
1405 CH3COC6H5 acetophenone acph  
1406 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1407 C3F6 hexafluoropropene c3f6  
1408 C6H3F3 Benzene trifluoride 123 bzf3a  
1409 C8H18O 1-Octanol octanol  
1410 C10H8 Azulene azu  
1411 C10H8 naphthalene naph  
1412 C10H10 bullvalene bullv  
1413 C6N4 Tetracyanoethylene tcne  
1414 C6N4- tetracyanoethylene anion tcne-  
1415 C10H22 Decane decane  
1416 C4F6 perfluorobutadiene c4f6  
1417 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1418 C3F8 perfluoropropane c3f8  
1419 Fe(CO)5 Iron pentacarbonyl ipc  
1420 Fe(C5H5)2 ferrocene fecp2  
1421 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1422 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1423 C12H8 Acenaphthylene acenaph  
1424 C12H8 biphenylene biph  
1425 C12H10 Heptalene heptalene  
1426 C6H12O6 Inositol inositol  
1427 C6F6 hexafluorobenzene c6f6  
1428 S2F10 disulphur decafluoride s2f10  
1429 C13H10 Fluorene fluorene  
1430 C14H10 Phenanthrene phenanthrene  
1431 C14H14 Bibenzyl bibenzyl  
1432 C12H10N2 azobenzene azobenzene  
1433 C6H5COC6H5 benzophenone benzophenone  
1434 C16H10 Pyrene pyrene  
1435 C18H12 Tetracene tetracene  
1436 C19H16 Triphenylmethane tpm  
1437 C24H12 Coronene coronene  
1438 C60 Buckminsterfullerene c60