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

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 D2 Deuterium diatomic 1ΣgD∞h
4 H2 Hydrogen diatomic 1ΣgD∞h
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 HD Deuterium hydride 1ΣgD∞h
8 H3+ hydrogen trimer cation 1A1'D3h
9 He Helium atom 1SKh
10 He2+ helium diatomic cation 2ΣuD∞h
11 Na+ Sodium atom cation 1SKh
12 LiH- lithium hydride anion 2ΣC∞v
13 LiH+ lithium hydride cation 2ΣC∞v
14 NaH- sodium hydride anion 2ΣC∞v
15 NaH+ sodium hydride cation 2ΣC∞v
16 BeH- berylium monohydride anion 1ΣC∞v
17 BeH+ beryllium monohydride cation 1ΣC∞v
18 MgH- magnesium monohydride anion 1ΣC∞v
19 MgH+ magnesium monohydride cation 1ΣC∞v
20 B Boron atom 2PKh
21 BH Boron monohydride 1ΣC∞v
22 BH- boron monohydride anion 2ΠC∞v
23 BH+ boron monohydride cation 2ΣC∞v
24 AlH aluminum monohydride 1ΣC∞v
25 BH2 boron dihydride 2A1C2v
26 BH3 boron trihydride 1A1'D3h
27 BH4- borohydride anion 1A1Td
28 C Carbon atom 3P0Kh
29 Si Silicon atom 3PKh
30 CH Methylidyne 2Π1/2C∞v
31 CH- methylidyne anion 3ΣC∞v
32 CH+ Methylidyne cation 1ΣC∞v
33 CH2 Methylene 3B1C2v
34 CH2 Methylene 1A1C2v
35 CH2- methylene anion 2B1C2v
36 CH2+ methylene cation 2A1C2v
37 SiH2 silicon dihydride 1A1C2v
38 SiH2 silicon dihydride 3B1C2v
39 CH3 Methyl radical 2A1D3h
40 CH3- methyl anion 1A1C3v
41 SiH3 Silyl radical 2A1C3v
42 CH4 Methane 1A1Td
43 SiH4 Silane 1A1Td
44 P Phosphorus atom 4SKh
45 NH Imidogen 3Σ-C∞v
46 NH Imidogen 1Σ+C∞v
47 NH- Imidogen anion 2ΠC∞v
48 NH+ imidogen cation 2ΠC∞v
49 PH phosphorus monohydride 1Σ+C∞v
50 ND2 Amidogen-d2 2B1C2v
51 NH2 Amino radical 2B1C2v
52 NH2- amino anion 1A1C2v
53 ND3 Ammonia-d3 1A1C3v
54 NH3 Ammonia 1A1C3v
55 NH3+ ammonia cation 2A2"D3h
56 PH3 Phosphine 1A1C3v
57 NH4+ ammonium cation 1A1Td
58 PH4+ phosphonium cation   
59 O Oxygen atom 3SKh
60 S Sulfur atom 3PKh
61 DO Hydroxyl-d 2ΠC∞v
62 OH Hydroxyl radical 2ΠC∞v
63 OH- hydroxide anion 1ΣC∞v
64 OH+ hydoxyl cation 3ΣC∞v
65 OH+ hydoxyl cation 1ΣC∞v
66 HS Mercapto radical 2ΠC∞v
67 D2O Deuterium oxide 1A1C2v
68 H2O Water 1A1C2v
69 H2O- water anion 2A1C2v
70 H2O+ water cation 2B1C2v
71 HDO Water-d1 1A1C2v
72 H2S Hydrogen sulfide 1A1C2v
73 H2S+ Hydrogen sulfide cation 2B1C2v
74 H3O+ hydronium cation 1A1C3v
75 H3S+ Sulfonium cation 1A1C3v
76 F Fluorine atom 2PKh
77 Cl Chlorine atom 2PKh
78 DF Hydrofluoric acid-d 1ΣC∞v
79 HF Hydrogen fluoride 1ΣC∞v
80 HF- hydrogen fluoride anion 2ΣC∞v
81 HF+ hydrogen fluoride cation 2ΠC∞v
82 HCl Hydrogen chloride 1ΣC∞v
83 HCl+ hydrogen chloride cation 2ΠC∞v
84 H2F+ dihydrogen fluoride cation 1A1C2v
85 H2Cl+ dihydrogen monochloride cation 1A1C2v
86 NeH+ neon hydrogen cation 1ΣC∞v
87 Li2- lithium diatomic anion 2ΣuD∞h
88 NaLi lithium sodium 1ΣC∞v
89 NaLi- lithium sodium anion 2ΣC∞v
90 NaLi+ lithium sodium cation 2ΣC∞v
91 Na2- sodium diatomic anion 2ΣuD∞h
92 Na2+ sodium diatomic cation 2ΣgD∞h
93 Be2- Beryllium diatomic anion 2ΠuD∞h
94 Be2+ Beryllium diatomic cation 2ΣuD∞h
95 Mg2- magnesium diatomic anion 2ΠUD∞h
96 Mg2+ magnesium diatomic cation 2ΣuD∞h
97 B2 Boron diatomic 3ΣgD∞h
98 B2 Boron diatomic 1ΣgD∞h
99 B2 Boron diatomic 5ΣuD∞h
100 B2- Boron diatomic anion 4ΣgD∞h
101 BAl Boron Aluminum 3ΣC∞v
102 B2H6 Diborane 1AgD2h
103 BC- boron monocarbide anion 3ΠuC∞v
104 BC- boron monocarbide anion 1Σg+C∞v
105 BC+ boron monocarbide cation 3ΣC∞v
106 BC+ boron monocarbide cation 1ΣC∞v
107 AlC Aluminum carbide 4ΣC∞v
108 C2 Carbon diatomic 1Σg+D∞h
109 C2 Carbon diatomic 3ΠuD∞h
110 C2- carbon diatomic anion 2ΣgD∞h
111 C2+ carbon diatomic cation 2ΠD∞h
112 SiC silicon monocarbide 3ΣC∞v
113 SiC silicon monocarbide 1ΣC∞v
114 C2H Ethynyl radical 2ΣC∞v
115 C2H2 Acetylene 1ΣgD∞h
116 C2H2+ acetylene cation 2ΠuD∞h
117 CCH2 vinylidene 1A1C2v
118 C2H3 vinyl 2A'Cs
119 C2H4 Ethylene 1AgD2h
120 C2H5 Ethyl radical 2A'Cs
121 C2H6 Ethane 1A1gD3d
122 Si2H6 disilane 1EuD3d
123 BeN- Beryllium mononitride anion 1ΣC∞v
124 BN- boron nitride anion 2ΣC∞v
125 BN boron nitride 3ΠC∞v
126 BN boron nitride 1ΣC∞v
127 BN+ boron nitride cation 2ΠC∞v
128 AlN Aluminum nitride 3ΠiC∞v
129 CN Cyano radical 2ΣC∞v
130 CN- cyanide anion 1ΣC∞v
131 CN+ Cyano cation 1ΣC∞v
132 SiP Silicon monophosphide 2ΠC∞v
133 N2 Nitrogen diatomic 1ΣgD∞h
134 N2- nitrogen diatomic anion 2ΠgD∞h
135 N2+ diatomic nitrogen cation 2ΣgD∞h
136 P2 Phosphorus diatomic 1ΣgD∞h
137 HNC hydrogen isocyanide 1ΣC∞v
138 HCN Hydrogen cyanide 1ΣC∞v
139 HCN+ hydrogen cyanide cation 2ΠC∞v
140 NNH Dinitrogen monohydride 2A'Cs
141 N2H2 (E)-diazene 1AgC2h
142 CH2NH Methanimine 1A'Cs
143 CH2PH Phosphaethene 1A'Cs
144 CH2NH2+ methyleneamine cation 1A1C2v
145 N2H4 Hydrazine 1AC2
146 CH3NH2 methyl amine 1A'Cs
147 BH3PH3 borane phosphine   
148 LiO- lithium oxide anion 1ΣC∞v
149 LiO+ lithium oxide cation 3ΣC∞v
150 LiO+ lithium oxide cation 1ΣC∞v
151 LiS Lithium monosulfide 2ΠC∞v
152 NaO- sodium oxide anion 1ΣC∞v
153 NaO+ sodium oxide cation 3ΣC∞v
154 BeO- Beryllium monoxide anion 2ΣC∞v
155 BeO+ Beryllium monoxide cation 2ΠC∞v
156 MgO- magnesium oxide anion 2ΣC∞v
157 MgO+ magnesium oxide cation 2ΠC∞v
158 CaS Calcium sulfide 1ΣC∞v
159 BO boron monoxide 2ΣC∞v
160 BO- boron monoxide anion 1ΣC∞v
161 BO+ boron monoxide cation 1ΣC∞v
162 CO Carbon monoxide 1ΣC∞v
163 CO- carbon monoxide anion 2ΠC∞v
164 CO+ carbon monoxide cation 2ΣC∞v
165 GeO Germanium monoxide 1ΣC∞v
166 SiSe Silicon Monoselenide   
167 NO Nitric oxide 2ΠC∞v
168 NO- nitric oxide anion 3ΣC∞v
169 NO- nitric oxide anion 1ΔC∞v
170 NO+ nitric oxide cation 1ΣC∞v
171 PO Phosphorus monoxide 2ΠC∞v
172 PS phosphorus sulfide 2ΣC∞v
173 O2 Oxygen diatomic 3ΣgD∞h
174 O2- oxygen diatomic anion 2ΠD∞h
175 O2+ diatomic oxygen cation 2ΠgD∞h
176 SO Sulfur monoxide 3ΣC∞v
177 SO Sulfur monoxide 1ΣC∞v
178 S2 Sulfur diatomic 3ΣgD∞h
179 S2+ sulfur diatomic cation 2ΠD∞h
180 Se2 Selenium diatomic 3ΣgD∞h
181 HBO Boron hydride oxide 1ΣC∞v
182 HCO Formyl radical 2A'Cs
183 HNO Nitrosyl hydride 1A'Cs
184 HO2 Hydroperoxy radical 2A"Cs
185 HSO+ Sulfur Monoxide, S-protonated   
186 SOH Sulfur Hydroxide   
187 SOH+ Sulfur Monoxide, protonated   
188 H2CO Formaldehyde 1A1C2v
189 H2CO+ formaldehyde cation 2B2C2v
190 H2CS Thioformaldehyde 1A1C2v
191 H2CSe Selenoformaldehyde   
192 H2O2 Hydrogen peroxide 1AC2
193 H2S2 Disulfane 1AC2
194 H2S2+ hydrogen disulfide cation 2BgC2h
195 CH2OH Hydroxymethyl radical 2AC1
196 CH2OH+ hydroxymethyl cation 1A'Cs
197 CH3O Methoxy radical 2A'C1
198 H2CSH+ Thioformaldehyde, protonated 1A'Cs
199 NH2OH hydroxylamine 1A'Cs
200 H2POH Phosphinous acid 1A1'CS trans
201 H2POH Phosphinous acid 1A1'CS cis
202 H3PO Phosphine oxide 1A1C3v
203 CH3OH Methyl alcohol 1A'Cs
204 CH3SH Methanethiol 1A'Cs
205 CH3SH2+ protonated methylsulfide 1A'Cs
206 LiCl lithium chloride 1ΣC∞v
207 NaF- sodium fluoride anion 2ΣC∞v
208 NaF+ sodium fluoride cation 2ΣC∞v
209 LiF- lithium fluoride anion 2ΣC∞v
210 LiF+ lithium fluoride cation 2ΠC∞v
211 BeF- Beryllium monofluoride anion 1ΣC∞v
212 BeF+ Beryllium monofluoride cation 1ΣC∞v
213 MgF- magnesium fluoride anion 1ΣC∞v
214 MgF+ magnesium fluoride cation 1ΣC∞v
215 BF Boron monofluoride 1ΣC∞v
216 BF- Boron monofluoride anion 2ΠC∞v
217 BF+ Boron monofluoride cation 2ΣC∞v
218 AlCl Aluminum monochloride 1ΣC∞v
219 CF Fluoromethylidyne 2ΠC∞v
220 CF- carbon monofluoride anion 3ΣC∞v
221 CF- carbon monofluoride anion 1ΣC∞v
222 CF+ carbon monofluoride cation 1ΣC∞v
223 SiF silicon monofluoride 2ΠC∞v
224 SiF+ silicon monofluoride cation 1ΣC∞v
225 NF nitrogen fluoride 3ΣC∞v
226 NF nitrogen fluoride 1ΣC∞v
227 NF- nitrogen monofluorine anion 2ΠC∞v
228 NF+ nitrogen monofluoirde cation 2ΠC∞v
229 NCl nitrogen monochloride 3ΣC∞v
230 FO Oxygen monofluoride 2ΠC∞v
231 FO- flourine oxide anion 1ΣC∞v
232 FO+ fluorine monoxide cation 3ΣC∞v
233 ClO Monochlorine monoxide 2ΠC∞v
234 SF Monosulfur monofluoride 2ΠC∞v
235 SF+ sulfur monofluoride cation 3ΣC∞v
236 SCl sulfur monochloride 2ΠC∞v
237 SCl+ sulfur monochloride cation 3ΣgC∞v
238 SBr Sulfur monobromide radical   
239 F2 Fluorine diatomic 1ΣgD∞h
240 F2- flourine diatomic anion 2ΣuD∞h
241 F2+ flourine diatomic cation 2ΠgD∞h
242 ClF Chlorine monofluoride 1Σ+C∞v
243 Cl2- chlorine diatomic anion 2ΣuD∞h
244 Cl2+ chlorine diatomic cation 2ΠgD∞h
245 HCF Fluoromethylene 1A'Cs
246 HOF Hypofluorous acid 1A'Cs
247 CH2Cl chloromethyl radical 2A'Cs
248 CH3F Methyl fluoride 1A1C3v
249 CH3Cl Methyl chloride 1A1C3v
250 SiH3Cl chlorosilane 1A1C1
251 C3 carbon trimer 1ΣgD∞h
252 C3H3 Propargyl radical 2B1Cs
253 CH2CCH2 allene 1A1D2d
254 CH3CCH propyne 1A'C3v
255 C3H6 Cyclopropane 1A1'D3h
256 CH2CHCH3 Propene 1A'Cs
257 C3H7 n-Propyl radical 2A"C1
258 C3H8 Propane 1A1C2v
259 Si3H8 trisilane   
260 HN3 hydrogen azide 1A'Cs
261 CH2NN diazomethane 1A1C2v
262 CH3CN Acetonitrile 1A1C3v
263 CH3NC methyl isocyanide 1A1C3v
264 NHCHNH2 aminomethanimine 1AC1
265 C2H5N Aziridine 1A'C1
266 CH3CH2NH2 Ethylamine 1A'Cs
267 CH3NHCH3 Dimethylamine 1A'Cs
268 Li2O dilithium oxide 1ΣgD∞h
269 Li2S dilithium sulfide 1ΣGD∞h
270 Li2S dilithium sulfide 1A1C2v
271 BO2 Boron dioxide 2A'D∞h
272 N2O Nitrous oxide 1ΣC∞v
273 NNS Nitrogen sulfide 1ΣC∞v
274 CO2 Carbon dioxide 1ΣgD∞h
275 OCS Carbonyl sulfide 1ΣC∞v
276 SiS2 Silicon disulfide 1ΣGD∞h
277 NO2 Nitrogen dioxide 2A1C2v
278 NSO sulfinyl amidogen   
279 SNO Nitrogen oxide sulfide   
280 O3 Ozone 1A1Cs
281 SO2 Sulfur dioxide 1A1C2v
282 S3 Sulfur trimer   
283 S3+ Sulfur trimer cation 2B2C2v
284 HCCO ketenyl radical 2A"Cs
285 HNCO Isocyanic acid 1A'Cs
286 HCO2- formate anion 1A1C2v
287 HOCO Hydrocarboxyl radical 1A'cis
288 HOCO Hydrocarboxyl radical 1A'trans
289 HNO2 Nitrous acid 1A'Cs
290 CH2CO Ketene 1A1C2v
291 HCCOH ethynol 1A'Cs
292 CH2CS Thioketene   
293 CH2O2 Dioxirane 1A1C2v
294 HCOOH Formic acid 1A'Cs
295 HSSSH trisulfane 1AC2
296 HSSSH trisulfane 1A'Cs
297 CH3CO Acetyl radical 2A'Cs
298 CHONH2 formamide 1A'Planar
299 CH3OO methylperoxy radical 2A"Cs
300 C2H4O Ethylene oxide 1A1C2v
301 CH2CHOH ethenol 1A'Cs
302 CH3CHO Acetaldehyde 1A'Cs
303 C2H4S Thiirane 1A1C2v
304 CH3CHS Thioacetaldehyde 1A'C1
305 CH3OOH Methyl peroxide 1AC1
306 CH3SSH Hydrogen methyl disulfide   
307 CH3CH2OH Ethanol 1A'Cs
308 CH3OCH3 Dimethyl ether 1A1C2v
309 CH3CH2SH ethanethiol 1A'Cs
310 FCN Cyanogen fluoride 1ΣC∞v
311 FNO Nitrosyl fluoride 1A'Cs
312 FNS Thionitrosyl fluoride 1A'Cs
313 FSN Thiazyl fluoride 1A'Cs
314 OPCl Phosphorus oxychloride   
315 CF2 Difluoromethylene 1A1D∞h
316 GeCl2 Germanium dichloride 1A1C2v
317 FOO Dioxygen monofluoride radical 2A"Cs
318 OClO Chlorine dioxide 2B1D∞h
319 ClSO Sulfur chloride oxide 2A"Cs
320 NF2 Difluoroamino radical 2B1C2v
321 FClO chlorosyl fluoride 1A'Cs
322 F2O Difluorine monoxide 1A1C2v
323 ClOF Chlorine hypofluorite 1A'Cs
324 SF2 sulfur difluoride 1A1C2v
325 SCl2 Sulfur dichloride 1A1C2v
326 SeCl2 Selenium Dichloride   
327 SBr2 Sulfur dibromide   
328 SeBr2 Selenium dibromide   
329 HCCF Fluoroacetylene 1ΣC∞v
330 HFCO formyl fluoride 1A'Cs
331 BHF2 Difluoroborane 1A1C2v
332 CH2F2 Methane, difluoro- 1A1C2v
333 CH2Cl2 Methylene chloride 1A1C2v
334 CH2CHF Ethene, fluoro- 1A'Cs
335 C2H5F fluoroethane 1A'Cs
336 C4 Carbon tetramer 3ΣgD∞h
337 C4H2 Diacetylene 1ΣgD∞h
338 C2H3CCH 1-Buten-3-yne 1A'C1
339 H2CCCCH2 Butatriene 1AgD2h
340 C4H6 1-Methylcyclopropene 1AC1
341 C4H6 Cyclobutene 1A1C2v
342 C4H6 Methylenecyclopropane 1A1C2v
343 CH2CCHCH3 1,2-Butadiene 1A'C1
344 CH2CHCHCH2 1,3-Butadiene 1AgC2h
345 CH3CCCH3 2-Butyne 1A1'D3h
346 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
347 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
348 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
349 C(CH3)3 Tert-butyl radical 2A"C3v
350 CH2CH(CH3)2 Isobutyl radical 2A'C1
351 CH3CHCH2CH3 2-Butyl radical 1AC1
352 CH3CH(CH3)CH3 Isobutane 1A1C3v
353 CH3CH2CH2CH3 Butane 1AgAnti
354 C2N2 Cyanogen 1ΣgD∞h
355 HCCCN Cyanoacetylene 1ΣC∞v
356 C3H3N acrylonitrile 1A'Cs
357 C4H8 cyclobutane 1A1D2d
358 C2H8N2 Ethylenediamine 1AgC2h
359 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
360 N(CH3)3 Trimethylamine 1A1C3v
361 B2O2 Diboron dioxide 1ΣgD∞h
362 S2N2 Disulfur dinitride 1AGD2h
363 CO3-- carbonate 1A1'D3h
364 CS3-- Carbonotrithioate   
365 NO3 Nitrogen trioxide 2A1'all bonds equal
366 SO3 Sulfur trioxide 1A1'D3h
367 S4 Sulfur tetramer   
368 S4 Sulfur tetramer   
369 S4 Sulfur tetramer   
370 HNO3 Nitric acid 1A'Cs
371 C2H2O2 Ethanedial 1AgC2h
372 CH3COO- acetate anion 1A'eclipsed
373 CH3NO2 Methane, nitro- 1A'Cs
374 CH3ONO Methyl nitrite 1A'C1
375 H3AlO3 Aluminum hydroxide   
376 C3H4O allenol 1A'Cs
377 C3H4O Cyclopropanone 1A1C2v
378 CH2CHCHO Acrolein 1A'Cs
379 NH2CONH2 Urea 1AC2
380 CH3COOH Acetic acid 1A'Cs
381 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
382 CH3CHNOH Acetaldoxime 1A'CS trans
383 CH3CONH2 Acetamide 1A'C1
384 CH3CSNH2 Ethanethioamide   
385 C3H6O Propylene oxide 1AC1
386 CH3CH2CHO Propanal 1A'Cs
387 CH3COCH3 Acetone 1A1C2v
388 C2H6O2 1,2-Ethanediol 1AgC2h
389 C3H7OH 1-Propanol 1A'Cs
390 CH3CHOHCH3 Isopropyl alcohol 1AC1
391 CH3OC2H5 Ethane, methoxy- 1A'Cs
392 C2F2 difluoroacetylene 1ΣgD∞h
393 N2F2 (Z)-Difluorodiazene 1A1C2v
394 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
395 CF2O Carbonic difluoride 1A1C2v
396 Cl2CS Thiophosgene 1A1C2v
397 BF3 Borane, trifluoro- 1A'D3h
398 AlF3 Aluminum trifluoride 1A1'D3h
399 CF3 Trifluoromethyl radical 2A1C3v
400 ClO2F Chloryl fluoride 1A'Cs
401 F2SO Thionyl Fluoride 1A'Cs
402 FSSF Difluorodisulfane 1AC2
403 S2F2 Thio-thionyl fluoride 1A'Cs
404 SSCl2 Thiothionyl chloride   
405 NF3 Nitrogen trifluoride 1A1C3v
406 SF3 Sulfur trifluoride 2A'Cs
407 ClF3 Chlorine trifluoride 1A1'D3h
408 ClF3 Chlorine trifluoride 1A1C2v
409 HClO3 Chloric Acid 1AC1
410 CHF3 Methane, trifluoro- 1A1C3v
411 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
412 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
413 CH3COF Acetyl fluoride 1A'NULL
414 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
415 C5H5- cylopentadienyl anion 1A1'D5h
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 1,3-Pentadiene, (Z)- 1A'Cs
423 C5H8 1,4-Pentadiene 1AC2
424 C5H8 Cyclobutane, methylene- 1A'Cs
425 C5H8 Cyclopentene 1A'Cs
426 C5H10 1-Butene, 2-methyl- 1AC1
427 C5H10 2-Butene, 2-methyl- 1A'Cs
428 C5H10 2-Pentene, (E)- 1A'Cs
429 C5H10 2-Pentene, (Z)- 1AC1
430 C5H10 Cyclopentane 1AC1
431 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
432 CH2CHCH2CH2CH3 1-pentene 1AC1
433 C5H11 2-Methylbut-2-yl radical 1AC1
434 C5H12 Butane, 2-methyl- 1AC1
435 C5H12 Pentane 1A1C2v
436 C5H12 Propane, 2,2-dimethyl- 1A1Td
437 N2O3 Dinitrogen trioxide 1A'Cs
438 C3H2N2 Malononitrile 1A1Cs
439 C3H4N2 1H-Imidazole 1A'Cs
440 C3H4N2 1H-Pyrazole 1A'Cs
441 C4H5N (E)-2-Butenenitrile 1A'Cs
442 C4H5N (Z)-2-Butenenitrile 1A'Cs
443 C4H5N Cyclopropanecarbonitrile 1A'Cs
444 C4H5N Pyrrole 1A1C2v
445 C3H6N2 3-Aminopropionitrile 1A'Cs
446 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
447 C4H9N Cyclobutylamine 1A'Cs
448 C4H9N Pyrrolidine 1A'Cs
449 C3H10N2 1,2-Diaminopropane 1AC1
450 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
451 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
452 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
453 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
454 C3O2 Carbon suboxide 1ΣGD∞h
455 H2SO4 Sulfuric acid 1AC1
456 C3H3NO Isoxazole 1A'Cs
457 CH3NO3 Methyl nitrate 1A'Cs
458 C4H4O Furan 1A1C2
459 C3H4O2 β–Propiolactone 1A'Cs
460 C3H4O2 2-Propenoic acid 1A'Cs
461 C3H4O2 propanedial 1AC1
462 C3H4O2 propenalol 1A'Cs
463 CH2CHCONH2 Acrylamide 1ACs
464 CH3OCH2CN Methoxyacetonitrile 1AC1
465 H2NCH2COOH Glycine 1A'Cs
466 C4H6O Cyclobutanone 1A1C2v
467 C4H6O Furan, 2,3-dihydro- 1AC1
468 C4H6O Furan, 2,5-dihydro- 1A1Cs
469 CH2CHOCHCH2 Vinyl ether 1A1C2v
470 CHOCHCHCH3 2-Butenal 1A'Cs
471 C2H6N2O Urea, methyl- 1AC1
472 C3H6O2 1,3-Dioxolane 1AC1
473 CH3COOCH3 methyl acetate 1A'Cs
474 C2H6O2S Dimethyl sulfone 1A1C2v
475 C3H7NO Propanamide 1A'C1
476 C2H3OC2H5 Ethene, ethoxy- 1AC1
477 C4H8O Cyclobutanol 1A'C1
478 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
479 CH3COCH2CH3 2-Butanone 1AC1
480 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
481 CHOCH2CH2CH3 Butanal 1A'Cs
482 C3H8O2 1,3-Propanediol 1A1C1
483 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
484 C3H8O2 Methane, dimethoxy- 1A1C2v
485 C3H8O2 Propylene glycol 1AC1
486 C4H10O 1-Propanol, 2-methyl- 1AC1
487 C4H10O 2-Butanol, (.+/-.)- 1AC1
488 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
489 C4H10O Ethoxy ethane 1A1C2v
490 C4H10O Propane, 2-methoxy- 1A'Cs
491 FNO3 Fluorine nitrate 1A'Cs
492 BF4- tetrafluoroboron anion 1A1Td
493 F3NO Nitrogen trifluoride oxide 1A1C3v
494 CF4 Carbon tetrafluoride 1A1Td
495 CF2Cl2 difluorodichloromethane 1A1C2v
496 SF4 Sulfur tetrafluoride 1A1C2v
497 C2HF3 Trifluoroethylene 1A'Cs
498 HClO4 perchloric acid 1ACs
499 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
500 SiH3CCl3 (trichloromethyl)silane 1A1C3v
501 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
502 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
503 C6H5 phenyl 2A1C2v
504 C6H6 2,4-Hexadiyne 1A1'D3h
505 C6H8 (E)-hexa-1,3,5-triene 1AgCs
506 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
507 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
508 C6H8 1,4-Cyclohexadiene 1AgC2v
509 C6H8 3-Methylenecyclopentene 1AC1
510 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
511 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
512 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
513 C6H10 1,3-Hexadiene, (E)- 1A'Cs
514 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
515 C6H10 1,4-Hexadiene, (E)- 1AC1
516 C6H10 1,4-Hexadiene, (Z)- 1AC1
517 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
518 C6H10 1-Hexyne 1A'Cs
519 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
520 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
521 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
522 C6H10 2-Hexyne 1A'C1
523 C6H10 3-Hexyne 1A1C2v
524 C6H10 cyclohexene 1AC2
525 C6H10 Cyclopentene, 1-methyl- 1AC1
526 C6H10 Cyclopentene, 3-methyl- 1AC1
527 C6H10 Cyclopentene, 4-methyl- 1AC1
528 C6H12 (E)-3-methylpent-2-ene 1AC1
529 C6H12 (Z)-3-methylpent-2-ene 1AC1
530 C6H12 3-methylenepentane 1AC1
531 C6H12 Cyclohexane 1A1gChair
532 C6H12 Cyclopentane, methyl- 1AC1
533 C6H12 Ethylcyclobutane 1AC1
534 C6H12 hex-1-ene 1A'Cs
535 C6H14 Butane, 2,2-dimethyl- 1A'C1
536 C6H14 Butane, 2,3-dimethyl- 1AgC2h
537 C6H14 Pentane, 2-methyl- 1AC1
538 C6H14 Pentane, 3-methyl- 1A'Cs
539 C4N2 2-Butynedinitrile 1ΣgD∞h
540 C3H3N3 1,3,5-Triazine 1A1'D3h
541 CH3N5 5-Aminotetrazole 1AC1
542 C4H4N2 1,3-Diazine 1A1C2v
543 C4H4N2 Pyrazine 1AgD2h
544 C4H4N2 Pyridazine 1A1C2v
545 C4H4N2 Succinonitrile 1AgC2h
546 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
547 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
548 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
549 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
550 C5H5N Pyridine 1A1C2v
551 C6H6 Fulvene 1A1C2v
552 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
553 C5H7N (E)-2-Pentenenitrile 1A'Cs
554 C5H7N (E)-3-Pentenenitrile 1AC1
555 C5H7N (Z)-2-Pentenenitrile 1AC1
556 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
557 C5H7N Cyclobutanecarbonitrile 1A'Cs
558 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
559 C5H9N Butanenitrile, 2-methyl- 1AC1
560 C5H9N Pentanenitrile 1A'Cs
561 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
562 C5H11N Cyclopentanamine 1A'Cs
563 C5H11N Piperidine 1A'NH equatorial
564 C5H11N Piperidine 1A'NH axial
565 C4H12N2 1,2-Butanediamine 1AC1
566 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
567 N2O4 Dinitrogen tetroxide 1AgD2d
568 C2H3NO3 Oxamic acid 1A'H out
569 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
570 C2H4N2O2 Oxalamide 1AgC2h
571 C4H5NO 3-Methylisoxazole 1AC1
572 C4H5NO Isoxazole, 5-methyl- 1AC1
573 C4H6O2 2-Propenoic acid, methyl ester 1AC1
574 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
575 C2H6N2O2 Dimethylnitroamine 1AC1
576 C3H6O3 1,3,5-Trioxane 1A1C1
577 C4H7NO 2-Pyrrolidinone 1AC1
578 C4H7NO Methacrylamide 1AC1
579 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
580 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
581 CH3NHCH2COOH Sarcosine 1AC1
582 NH2CH2CH2COOH β–alanine 1AC1
583 NH2COOC2H5 Urethane 1AC1
584 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
585 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
586 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
587 NH2CONHC2H5 Urea, ethyl- 1AC1
588 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
589 C4H8O2 1,4-Dioxane 1AgC2h
590 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
591 C4H9NO Butanamide 1AC1
592 C4H9NO Propanamide, 2-methyl- 1AC1
593 C5H10O 2-Butanone, 3-methyl- 1AC1
594 C5H10O 2H-Pyran, tetrahydro- 1A'C1
595 C5H10O 2-Pentanone 1AC1
596 C5H10O 3-Pentanone 1A1C2v
597 C5H10O Cyclopentanol 1AC1
598 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
599 C5H10O Pentanal 1A'C1
600 C4H10O2 1,1-Dimethoxyethane 1A'Cs
601 C4H10O2 1,3-Butanediol 1AC1
602 C4H10O2 1,4-Butanediol 1AgC2h
603 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
604 C4H11NO Diethylhydroxylamine 1A'Cs
605 C5H12O 1-Butanol, 2-methyl- 1AC1
606 C5H12O 1-Butanol, 3-methyl- 1A'Cs
607 C5H12O 1-Pentanol 1A'Cs
608 C5H12O 2-Butanol, 3-methyl- 1AC1
609 C5H12O 2-Pentanol 1AC1
610 C5H12O 3-Pentanol 1AC1
611 C5H12O Butane, 1-methoxy- 1A'Cs
612 C5H12O Propane, 1-ethoxy- 1A'Cs
613 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
614 CF3CN Acetonitrile, trifluoro- 1A1C3v
615 B2F4 Diboron tetrafluoride 1A1D2d
616 B2Cl4 Diboron tetrachloride 1A1D2
617 C2F4 Tetrafluoroethylene 1AgD2h
618 CF3OF Trifluoromethylhypofluorite 1A'Cs
619 SiF5- silicon pentafluoride anion   
620 SOF4 Sulfur tetrafluoride oxide 1A1C2v
621 PF5 Phosphorus pentafluoride 1A1'D3h
622 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
623 C6H5CH2 benzyl radical 2B1Cs
624 C6H5CH3 toluene 1A'Cs
625 C7H12 Norbornane 1A1C2v
626 C7H16 heptane 1A1C2v
627 C6H5OH phenol 1A'Cs
628 C6H10O cyclohexanone 1A'Cs
629 PF6- Hexafluorophosphate ion 1A1GOh
630 SF5Cl sulfur chloropentafluoride 1A1C4v
631 C6H5F Fluorobenzene 1A1C2v
632 C6H5CCH phenylacetylene 1A1C2v
633 C6H5CHCH2 Styrene 1A'Cs
634 C8H8 cubane 1A1GOh
635 C8H8 cyclooctatetraene 1A1D2d
636 C6H5CH2CH3 Ethylbenzene 1A'Cs
637 C6H5CN phenyl cyanide 1A1C2v
638 C6H5CHO benzaldehyde 1A'Cs
639 C6H5OCH3 Anisole 1A'Cs
640 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
641 C2F6 hexafluoroethane 1A1gD3d
642 C6H5NO2 Nitrobenzene 1A1C2v
643 C6H5COOH benzoic acid 1A'Cs
644 C10H16 adamantane 1A1Td
645 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 li2  
197 Li2+ lithium diatomic cation li2+  
198 LiK Lithium Potassium lik  
199 Na2 Sodium diatomic na2  
200 NaK Sodium Potassium nak  
201 NaK+ Sodium Potassium diatomic cation nak+  
202 K2 Potassium diatomic k2  
203 Cu2 Copper diatomic cu2  
204 LiBe Lithium Beryllium libe  
205 LiMg Lithium magnesium limg  
206 NaBe Sodium Beryllium nabe  
207 NaMg Sodium Magnesium namg  
208 Be2 Beryllium diatomic be2  
209 BeMg Beryllium Magnesium bemg  
210 Mg2 Magnesium diatomic mg2  
211 Ca2 Calcium diatomic ca2  
212 LiB Lithium boride lib  
213 LiAl Lithium Aluminum lial  
214 NaAl Sodium aluminum naal  
215 BeB Beryllium monoboride beb  
216 B2+ Boron diatomic cation b2+  
217 Al2 Aluminum diatomic al2  
218 Al2- aluminum diatomic anion al2-  
219 Al2+ aluminum diatomic cation al2+  
220 BGa Boron Gallium bga  
221 AlGa Aluminum Gallium alga  
222 Ga2 Gallium diatomic ga2  
223 HBBH Diborane(2) hbbh  
224 LiBH4 Lithium borohydride libh4  
225 B2H4 Diborane(4) D2d b2h4  
226 HBHHBH Diborane(4) C2V hbhhbh  
227 B2H6+ Diborane cation b2h6  
228 Al2H6 dialane al2h6  
229 Ga2H6 digallane ga2h6  
230 LiC Lithium Carbide lic  
231 BeC Beryllium Carbide bec  
232 CaC Calcium monocarbide cac  
233 BC boron monocarbide bc  
234 BSi Boron silicide bsi  
235 C2+ carbon diatomic cation c2+  
236 SiC- silicon monocarbide anion sic-  
237 SiC+ silicon monocarbide cation sic+  
238 Si2 Silicon diatomic si2  
239 Si2- silcon diatomic anion si2-  
240 Si2+ silcon diatomic cation si2+  
241 GeC Germanium monocarbide gec  
242 SiGe Silicon Germanium sige  
243 Ge2 Germanium diatomic ge2  
244 ZnCH2 Zinc methylene znch2  
245 H2CC- vinylidene anion h2cc-  
246 HCCH- acetylene anion c2h2-  
247 Si2H2 disilyne si2h2  
248 CuCH3 monomethyl copper cuch3  
249 ZnCH3 Zinc monomethyl znch3  
250 CH2BH methyleneborane ch2bh  
251 C2H3- vinyl anion c2h3-  
252 CH2SiH2 silaethylene ch2sih2  
253 Si2H4 Disilene si2h4  
254 CH3BH2 methylborane ch3bh2  
255 C2H5- Ethyl anion c2h5-  
256 C2H5+ Ethyl cation c2h5+  
257 C2H6+ ethane cation c2h6+  
258 CH3SiH3 methyl silane ch3sih3  
259 GeH3CH3 methyl germane geh3ch3  
260 C2H7+ Ethane, protonated c2h7+  
261 LiP Lithium monophosphide lip  
262 BeN Beryllium mononitride ben  
263 BeN+ Beryllium mononitride cation ben+  
264 MgN Magnesium Nitride mgn  
265 AlN- aluminum mononitride anion aln-  
266 AlN+ aluminum mononitride cation aln+  
267 BP Boron monophosphide bp  
268 AlP Aluminum monophosphide alp  
269 GaN Gallium mononitride gan  
270 GaP Gallium monophosphide gap  
271 GaAs Gallium arsenide gaas  
272 CP Carbon monophosphide cp  
273 CP- carbon monophosphide anion cp-  
274 CP+ carbon monophosphide cation cp+  
275 SiN Silicon nitride sin  
276 SiN- silicon mononitride anion sin-  
277 SiN+ silicon mononitride cation sin+  
278 SiP- Silicon monophosphide anion sip-  
279 SiP+ Silicon monophosphide cation sip+  
280 TiN Titanium mononitride tin  
281 PN Phosphorus mononitride pn  
282 PN- phosphorus nitride anion pn-  
283 PN+ phosphorus nitride cation pn+  
284 P2- phosphorus diatomic anion p2-  
285 P2+ phosphorus diatomic cation p2+  
286 AsN Arsenic mononitride asn  
287 AsP Arsenic monophosphide asp  
288 SbN Antimony nitride sbn  
289 As2 Arsenic diatomic as2  
290 HCN- Hydrogen cyanide anion hcn-  
291 HNC+ hydrogen isocyanide cation hnc+  
292 HCP Phosphaethyne hcp  
293 HCP+ Phosphaethyne cation hcp+  
294 NNH+ Dinitrogen monohydride cation nnh+  
295 HPO Hydrogen phosphorus oxide hpo  
296 HPO+ Hydrogen phosphorus oxide cation hpo+  
297 LiNH2 lithium amide linh2  
298 HBNH Boranimine hbnh  
299 CNH2 Aminomethylidyne radical cnh2  
300 CNH2+ N-protonated hydrogen isocyanide cnh2+  
301 H2CN Dihydrogen cyanide radical h2cn  
302 H2CN+ hydrocyanonium cation h2cn+  
303 HCNH methyleneazane hcnh  
304 HCNH+ N-protonated HCN hcnh+  
305 H2NN Isodiazene h2nn  
306 N2H2 (Z)-Diazene n2h2z  
307 N2H2+ trans-diazene cation n2h2+  
308 CH2NH+ Methanimine cation ch2nh+  
309 CHNH2 aminomethylene chnh2  
310 CHNH2+ Aminocarbene cation chnh2+  
311 BH2NH2 Boranamine bh2nh2  
312 N2H4+ hydrazine cation n2h4+  
313 P2H4 Diphosphine p2h4  
314 CH3NH2+ methyl amine cation ch3nh2+  
315 CH3PH2 Methyl phosphine ch3ph2  
316 SiH3NH2 Silane, amino sih3nh2  
317 N2H5+ protonated hydrazine n2h5+  
318 CH3NH3 methyl ammonium radical ch3nh3  
319 CH3PH3+ methyl phosphine, protonated ch3ph3+  
320 NH3NH3 Ammonia Dimer nh3nh3  
321 N2H7+ ammonia ammonium dimer n2h7+  
322 LiO lithium oxide lio  
323 LiS+ Lithium sulfide cation lis+  
324 NaO sodium monoxide nao  
325 KO Potassium monoxide ko  
326 KO+ Potassium monoxide cation ko+  
327 NaS Sodium sulfide nas  
328 CuO Copper Monoxide cuo  
329 LiSe Lithium monoselenide lise  
330 BeO beryllium oxide beo  
331 BeS beryllium sulfide bes  
332 MgO magnesium oxide mgo  
333 CaO Calcium monoxide cao  
334 MgS magnesium sulfide mgs  
335 MgS- magnesium sulfide anion mgs-  
336 MgS+ magnesium sulfide cation mgs+  
337 ZnO zinc monoxide zno  
338 ZnS Zinc sulfide zns  
339 BeS- Beryllium monosulfide anion bes-  
340 BeS+ Beryllium monosulfide cation bes+  
341 AlO Aluminum monoxide alo  
342 AlO- Aluminum monoxide anion alo-  
343 AlO+ aluminum monoxide cation alo+  
344 BS boron sulfide bs  
345 BS- boron monosulfide anion bs-  
346 BS+ boron monosulfide cation bs+  
347 AlS Aluminum sulfide als  
348 AlS- aluminum monosulfide anion als-  
349 AlS+ aluminum monosulfide cation als+  
350 ScO Scandium monoxide sco  
351 GaO Gallium monoxide gao  
352 GaS Gallium monosulfide gas  
353 CS carbon monosulfide cs  
354 CS- carbon monosulfide anion cs-  
355 CS+ carbon monosulfide cation cs+  
356 SiO Silicon monoxide sio  
357 SiO- silicon monoxide anion sio-  
358 SiO+ silicon monoxide cation sio+  
359 SiS silicon monosulfide sis  
360 SiS- silicon monosulfide anion sis-  
361 SiS+ silicon monosulfide cation sis+  
362 TiO Titanium monoxide tio  
363 CSe Carbon monoselenide cse  
364 CSe- Carbon monoselenide anion cse-  
365 CSe+ Carbon monoselenide cation cse+  
366 GeO+ Germanium monoxide cation geo+  
367 GeS Germanium monosulfide ges  
368 SiSe+ Silicon Monoselenide cation sise+  
369 GeSe Germanium monoselenide gese  
370 NS Mononitrogen monosulfide ns  
371 NS- nitrogen sulfide anion ns-  
372 NS+ nitrogen sulfide cation ns+  
373 PO- phosphorus monoxide anion po-  
374 PO+ phosphorus monoxide cation po+  
375 PS- phosphorus monosulfide anion ps-  
376 PS+ phosphorus monosulfide cation ps+  
377 VO Vanadium monoxide vo  
378 AsO Arsenic monoxide aso  
379 NSe Nitrogen monoselenide nse  
380 AsS Arsenic monosulfide ass  
381 PSe Phosphorus monoselenide pse  
382 AsSe Arsenic monoselenide asse  
383 O2-- dioxygen dianion o2--  
384 SO- sulfur monoxide anion so-  
385 SO+ sulfur monoxide cation so+  
386 S2- sulfur diatomic anion s2-  
387 SeO Selenium monoxide seo  
388 SeO- selenium monoxide anion seo-  
389 SeO+ selenium monoxide cation seo+  
390 SeS Selenium monosulfide ses  
391 SeS- selenium monosulfide anion ses-  
392 SeS+ selenium monosulfide cation ses+  
393 TeO Tellurium monoxide teo  
394 Se2- selenium diatomic anion se2-  
395 Se2+ selenium diatomic cation se2+  
396 Te2 Tellurium diatomic te2  
397 LiOH lithium hydroxide lioh  
398 NaOH sodium hydroxide naoh  
399 KOH Potassium hydroxide koh  
400 BeOH beryllium monohydroxide beoh  
401 MgOH magnesium hydroxide mgoh  
402 CaOH Calcium monohydroxide caoh  
403 HBS hydrogen boron sulfide hbs  
404 COH Hydroxymethylidyne coh  
405 COH+ Carbon Monoxide, protonated coh+  
406 HCO- formyl anion hco-  
407 HCS Thioformyl radical hcs  
408 HCS- Thioformyl anion hcs-  
409 HCS+ Thioformyl cation hcs+  
410 NOH Hydroxyimidogen noh  
411 NOH+ O-protonated nitric oxide noh+  
412 HNS Sulfur imide hns  
413 HNS- Sulfur imide anion hns-  
414 HO2+ Hydroperoxy cation ho2+  
415 HS2 Thiosulfeno radical hs2  
416 H2CO- formaldehyde anion h2co-  
417 HOCH hydroxycarbene hoch  
418 H2CS- thioformaldehyde anion h2cs-  
419 H2CS+ thioformaldehyde cation h2cs+  
420 H2NO nitroxide h2no  
421 H2O2+ Hydrogen peroxide cation h2o2+  
422 H2OO water oxide h2oo  
423 HOSH hydrogen thioperoxide hosh  
424 H2Se2 hydrogen diselenide h2se2  
425 CH3O- methoxy anion ch3o-  
426 CH3O+ Methoxy cation ch3o+  
427 CH3S thiomethoxy ch3s  
428 NH2OH+ Hydroxylamine cation nh2oh+  
429 NH3O Ammonia Oxide nh3o  
430 NH2SH Thiohydroxylamine nh2sh  
431 NH3S sulfidoazane nh3s  
432 H3O2+ hydrogen peroxide, protonated h3o2+  
433 CH3OH- Methyl alcohol anion ch3oh-  
434 CH3OH+ Methyl alcohol cation ch3oh+  
435 CH3SH+ Methanethiol cation ch3sh+  
436 SiH3OH silanol sih3oh  
437 CH3SeH Methane selenol ch3seh  
438 NH2OH2+ protonated hydroxylamine nh2oh2+  
439 NH3OH+ N-protonated hydroxylamine nh3oh+  
440 H2OH2O water dimer h2oh2o  
441 CH3OH2+ Methanol, protonated ch3oh2+  
442 H2ONH3 Water Ammonia Dimer h2onh3  
443 H5O2+ Dihydroxonium ion h5o2+  
444 LiF lithium fluoride lif  
445 LiCl- lithium chloride anion licl-  
446 LiCl+ lithium chloride cation licl+  
447 NaF sodium fluoride naf  
448 KF Potassium Fluoride kf  
449 NaCl Sodium Chloride nacl  
450 NaCl- sodium chloride anion nacl-  
451 NaCl+ sodium chloride cation nacl+  
452 KCl Potassium Chloride kcl  
453 CuF Copper monofluoride cuf  
454 LiBr Lithium Bromide libr  
455 LiBr- lithium bromide anion libr-  
456 LiBr+ lithium bromide cation libr+  
457 CuCl Copper monochloride cucl  
458 NaBr Sodium Bromide nabr  
459 NaBr- sodium bromide anion nabr-  
460 NaBr+ sodium bromide cation nabr+  
461 KBr Potassium Bromide kbr  
462 LiI Lithium Iodide lii  
463 NaI Sodium Iodide nai  
464 KI Potassium Iodide ki  
465 BeF Beryllium monofluoride bef  
466 BeCl beryllium monochloride becl  
467 MgF Magnesium monofluoride mgf  
468 CaF Calcium monofluoride caf  
469 MgCl magnesium monochloride mgcl  
470 MgCl- magnesium monochloride anion mgcl-  
471 MgCl+ magnesium monochloride cation mgcl+  
472 CaCl calcium monochloride cacl  
473 TiCl Titanium Monochloride ticl  
474 ZnF Zinc monofluoride znf  
475 ZnF- Zinc monofluoride anion znf-  
476 ZnF+ Zinc monofluoride cation znf+  
477 ZnCl Zinc monochloride zncl  
478 CaBr Calcium monobromide cabr  
479 BeCl- beryllium monochloride anion becl-  
480 BeCl+ beryllium monochloride cation becl+  
481 AlF Aluminum monofluoride alf  
482 AlF- Aluminum monofluoride anion alf-  
483 AlF+ Aluminum monofluoride cation alf+  
484 BCl boron monochloride bcl  
485 BCl- boron monochloride anion bcl-  
486 BCl+ boron monochloride cation bcl+  
487 AlCl- aluminum monochloride anion alcl-  
488 AlCl+ aluminum monochloride cation alcl+  
489 ScF Scandium monofluoride scf  
490 BBr Boron monobromide bbr  
491 GaF Gallium monofluoride gaf  
492 GaF+ Gallium monofluoride cation gaf+  
493 AlBr Aluminum monobromide albr  
494 GaCl Gallium monochloride gacl  
495 GaCl+ Gallium monochloride cation gacl+  
496 AlI Aluminum monoiodide ali  
497 GaBr Gallium monobromide gabr  
498 CCl carbon monochloride ccl  
499 CCl- carbon monochloride anion ccl-  
500 CCl+ carbon monochloride cation ccl+  
501 SiF- silicon monofluoride anion sif-  
502 SiCl Clorosilylidyne sicl  
503 SiCl- silicon monochloride anion sicl-  
504 SiCl+ silicon monochloride cation sicl+  
505 CBr Carbon monobromide cbr  
506 GeF Germanium monofluoride gef  
507 GeF+ Germanium monofluoride cation gef+  
508 GeCl Germanium monochloride gecl  
509 GeCl+ Germanium monochloride cation gecl+  
510 SiBr Silicon monobromide sibr  
511 SiBr+ Silicon monobromide cation sibr+  
512 NCl- nitrogen monochloride anion ncl-  
513 NCl+ nitrogen monochloride cation ncl+  
514 PF phosphorus monofluoride pf  
515 PF- phosphorus monofluoride anion pf-  
516 PF+ phosphorus monofluoride cation pf+  
517 PCl phosphorus chloride pcl  
518 PCl- phosphorus monochloride anion pcl-  
519 PCl+ phosphorus monochloride cation pcl+  
520 AsF Arsenic monofluoride asf  
521 NBr nitrogen monobromide nbr  
522 AsCl Arsenic monochloride ascl  
523 PBr Phosphorus monobromide pbr  
524 SbF Antimony monofluoride sbf  
525 SbCl Antimony monochloride sbcl  
526 ClO- chlorine monoxide anion clo-  
527 ClO+ chlorine monoxide cation clo+  
528 SF- sulfur monofluoride anion sf-  
529 SCl- sulfur monochloride anion scl-  
530 BrO Bromine monoxide bro  
531 BrO- Bromine monoxide anion bro-  
532 BrO+ Bromine monoxide cation bro+  
533 SeF Selenium monofluoride sef  
534 SBr+ Sulfur monobromide cation sbr+  
535 SeCl Selenium monochloride secl  
536 IO Iodine monoxide io  
537 SeBr Selenium monobromide sebr  
538 BrCl Bromine monochloride brcl  
539 ClF- clorine monofluoride anion clf-  
540 ClF+ clorine monofluoride cation clf+  
541 Cl2 Chlorine diatomic cl2  
542 BrF Bromine monofluoride brf  
543 BrF- bromine fluoride anion brf-  
544 BrF+ bromine fluoride cation brf+  
545 BrCl- bromine chloride anion brcl-  
546 BrCl+ bromine chloride cation brcl+  
547 IF Iodine monofluoride if  
548 Br2 Bromine diatomic br2  
549 Br2- bromine diatomic anion br2-  
550 Br2+ bromine diatomic cation br2+  
551 ICl Iodine monochloride icl  
552 IBr Iodine monobromide ibr  
553 I2 Iodine diatomic i2  
554 I2+ Iodine diatomic cation i2+  
555 HCCl Chloromethylene hccl  
556 HSiF fluorosilylene hsif  
557 HSiCl Chlorosilylene hsicl  
558 HSiBr monobromosilylene hsibr  
559 CHBr bromomethylene chbr  
560 DOCl Hypochlorous acid-d docl  
561 HOCl hypochlorous acid hocl  
562 HOCl+ hypochlorous acid cation hocl+  
563 HOBr Hypobromous acid hobr  
564 HOBr+ Hypobromous acid cation hobr+  
565 HOI Hypoiodous acid hoi  
566 F2H+ Fluorine, protonated f2h+  
567 FHF Hydrogen difluoride fhf  
568 FHF- Hydrogen difluoride anion fhf-  
569 ClFH+ Chlorine fluoride, F-protonated clfh+  
570 FClH+ Chlorine fluoride, Cl-protonated fclh+  
571 Cl2H+ Chlorine, protonated cl2h+  
572 CH2Br bromomethyl radical ch2br  
573 CH2F fluoromethyl radical ch2f  
574 CH2F+ fluoromethyl cation ch2f+  
575 CH2Cl+ chloromethyl cation ch2cl+  
576 NH2Cl chloramine nh2cl  
577 H2F2 Hydrogen fluoride dimer h2f2  
578 CH3F+ methyl fluoride cation ch3f+  
579 CD3F methylfluoride-d3 cd3f  
580 CD3Cl methyl chloride d3 cd3cl  
581 CH3Cl+ Methyl chloride cation ch3cl+  
582 SiH3F monofluorosilane sih3f  
583 CH3Br methyl bromide ch3br  
584 GeH3F monofluorogermane geh3f  
585 GeH3Cl monochlorogermane geh3cl  
586 SiH3Br bromosilane sih3br  
587 CH3I methyl iodide ch3i  
588 SiH3I Silyl Iodide sih3i  
589 NH3Cl+ protonated monochloroammonia nh3cl+  
590 CH3ClH+ methyl chloride, protonated ch3clh+  
591 NH4Cl Ammonium chloride nh4cl  
592 LiNe+ Lithium Neon cation line+  
593 Ne2 Neon diatomic ne2  
594 Ne2+ Neon diatomic cation ne2+  
595 Ar2 Argon diatomic ar2  
596 Ar2+ Argon diatomic cation ar2+  
597 Li3 Lithium trimer li3  
598 Li3+ Lithium trimer cation li3+  
599 SiC2 Silicon dicarbide sic2  
600 C3H3 cyclopropenyl radical cpr  
601 C3H3- Propargyl anion c3h3-  
602 C3H5 Allyl radical allyl  
603 C3H5+ Allyl cation allyl+  
604 CH3CHCH 1-propenyl radical ch3chch  
605 Zn(CH3)2 dimethyl zinc dmz  
606 C3H7+ cyclopropane, protonated c3h7+  
607 CH3CHCH3 Isopropyl radical isopropyl  
608 CH3CHCH3+ Isopropyl cation prop2yl+  
609 SiH2(CH3)2 dimethylsilane dms  
610 LiCN lithium cyanide licn  
611 NaCN Sodium Cyanide nacn  
612 KCN Potassium cyanide kcn  
613 CuCN Copper cyanide cucn  
614 ZnCN Zinc monocyanide zncn  
615 ZnNC Zinc isocyanide znnc  
616 AlCN Aluminum monocyanide alcn  
617 AlNC Aluminum isocyanide alnc  
618 CN2 3H-Diazirin-3-ylidene cn2  
619 CNN Diazocarbene cnn  
620 NCN Cyanoimidogen ncn  
621 N3+ azide cation n3+  
622 HCCN cyanomethylene hccn  
623 HCNN diazomethyl radical hcnn  
624 HN3+ Hydrazoic acid cation hn3+  
625 HNCNH diiminomethane hncnh  
626 CH2N2 diazirine ch2n2  
627 HNNNH+ 1,2-Triazadienium n2h3+  
628 NH2NN+ hydrazoic acid, protonated nh2nn+  
629 CH3CN- acetonitrile anion ch3cn-  
630 CHNCH2 2H-Azirine c157164  
631 CHNHCH 1H-Azirine chnhch  
632 H2CCNH Ethenimine ch2cnh  
633 H2CNCH methyleneaminomethylene ch2nch  
634 HCCNH2 Ethynamine hccnh2  
635 HCNCH2+ 2H-Azirine cation hcnch2+  
636 HNCNH2+ diiminomethane, protonated hncnh2+  
637 NCNH3+ Cyanamide, protonated ncnh3+  
638 NH2CNH+ cyanamide, cn protonated nh2cnh+  
639 NH3CN+ cyanamide, amine protonated nh3cn+  
640 CH2CHNH vinylazine ch2chnh  
641 CH3CHN methylmethaniminyl radical ch3chn  
642 CH2CHNH2 aminoethene aminoethene  
643 CH3CHNH ethanimine ethanimine  
644 NH2BHNH2 diaminoborane nh2bhnh2  
645 C2H5NH+ Protonated Aziridine c2h5nh+  
646 C2H6N+ aziridine, protonated c2h6n+  
647 NH2CH2NH2 diaminomethane nh2ch2nh2  
648 CH3PHCH3 dimethylphosphine ch3phch3  
649 NH2CH2NH3+ diaminoethane, protonated pdam  
650 (CH3)2NH2+ dimethylammonium cation dmam  
651 CH3CH2NH3+ ethylamine, protonated pea  
652 Na2O disodium monoxide na2o  
653 Na2S Sodium sulfide na2s  
654 LiO2 Lithium dioxide lio2  
655 NaO2 Sodium superoxide nao2  
656 CCO Dicarbon monoxide cco  
657 CNO- fulminate cno-  
658 SCN thiocyanato radical scn  
659 SCN- thiocyanide anion scn-  
660 BO2+ Boron dioxide cation bo2+  
661 N2O- Nitrous oxide anion n2o-  
662 PPO Phosphorus oxide phosphide ppo  
663 OCS+ Carbonyl sulfide cation cos+  
664 SiO2 silicon dioxide sio2  
665 CS2 Carbon disulfide cs2  
666 CS2- Carbon disulfide anion cs2-  
667 CS2+ Carbon disulfide cation cs2+  
668 TiO2 Titanium dioxide tio2  
669 GeO2 Germanium dioxide geo2  
670 OCSe Carbonyl selenide ocse  
671 SCSe Carbon sulfide selenide scse  
672 GeS2 Germanium disulfide ges2  
673 CSe2 Carbon diselenide cse2  
674 SCTe Carbon sulfide Telluride scte  
675 PO2 Phosphorus dioxide po2  
676 PO2- Phosphorus dioxide anion po2-  
677 PO2+ Phosphorus dioxide cation po2+  
678 AsO2 Aresenic dioxide aso2  
679 SO2- Sulfur dioxide anion so2-  
680 SO2+ Sulfur dioxide cation so2+  
681 SSO Disulfur monoxide sso  
682 S3- Sulfur trimer anion s3-  
683 SeO2 Selenium dioxide seo2  
684 SeO2+ Selenium dioxide cation seo2+  
685 TeO2 Tellurium Dioxide teo2  
686 CS2H+ Carbon disulfide, protonated cs2h+  
687 HNCS Isothiocyanic acid hncs  
688 HSCN thiocyanic acid hscn  
689 HNNO nitrosoazane hnno  
690 HNNO+ Nitrous oxide, N-protonated hnno+  
691 NNOH+ Nitrous Oxide, O-protonated nnoh+  
692 HCOO formate neutral radical hcoo  
693 O3H+ protonated ozone o3h+  
694 SO2H+ protonated sulfur dioxide so2h+  
695 C2H2O Oxirene oxirene  
696 Be(OH)2 Beryllium hydroxide beo2h2  
697 Mg(OH)2 Magnesium dihydroxide h2mgo2  
698 NH2NO Nitrosamide nh2no  
699 H2COO Dioxymethyl radical h2coo  
700 H2COO+ dioxymethyl cation h2coo+  
701 H2O3 Hydrogen trioxide h2o3  
702 NaOCH3 Sodium methoxide naoch3  
703 CH2BOH hydroxy(methylene)borane ch2boh  
704 BH3CO Borane carbonyl bh3co  
705 CH3BO Borane, methyloxo- ch3bo  
706 CH2CHO Vinyloxy radical ch2cho  
707 CH2COH+ ketene, protonated ch2coh+  
708 CH3CO- Acetyl anion ch3co-  
709 CH3CO+ acetyl cation ch3co+  
710 CH2NOH formaldoxime ch2noh  
711 CH3NO nitrosomethane ch3no  
712 CNOH3 1,2-oxaziridine cnoh3  
713 HOCHNH hydroxymethylimine hochnh  
714 CHSNH2 thioformamide chsnh2  
715 NHCHSH Methanimidothioic acid nhchsh  
716 CH2OOH CH2OOH radical ch2ooh  
717 CH3OO- methylperoxy anion ch3oo-  
718 CH3OO+ methylperoxy cation ch3oo+  
719 C2H4O+ ethylene oxide cation c2h4o+  
720 CH3CHO+ acetaldehyde cation ch3cho+  
721 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
722 CH2CHSH Ethenethiol ch2chsh  
723 H2CONH2+ protonated formamide h2conh2+  
724 NH2CHOH+ Formamide, O-protonated nh2choh+  
725 NH3CHO+ Formamide, N-Protonated nh3cho+  
726 CH2(OH)2 methanediol ch2o2h2  
727 HSCH2SH Methanedithiol ch4s2  
728 H2OH2CO water formaldehyde dimer h2oh2co  
729 C2H4OH+ ethylene oxide, protonated c2h4oh+  
730 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
731 CH3CH2O Ethoxy radical ethoxy  
732 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
733 CH3CHOH+ acetaldehyde, protonated ch3choh+  
734 CH3OCH2 methoxymethyl radical ch3och2  
735 NH2CH2OH aminomethanol nh2ch2oh  
736 CH3SCH3 Dimethyl sulfide mesme  
737 CH3SCH3+ dimethyl sulfide cation mesme+  
738 CH3SeCH3 dimethylselenide dmse  
739 CH3OHH2O methanol water dimer ch3ohh2o  
740 H2OCH3OH water methanol dimer h2och3oh  
741 CuF2 Copper difluoride cuf2  
742 ZnF2 Zinc difluoride znf2  
743 CNF iso cyanogen fluoride cnf  
744 ClCN chlorocyanogen clcn  
745 BrCN Cyanogen bromide brcn  
746 ICN Cyanogen iodide icn  
747 FBO Boron monofluoride monoxide fbo  
748 BeF2 Beryllium fluoride bef2  
749 MgF2 Magnesium fluoride mgf2  
750 BeCl2 Beryllium chloride becl2  
751 MgCl2 Magnesium dichloride mgcl2  
752 CaCl2 Calcium Chloride cacl2  
753 ZnCl2 Zinc dichloride zncl2  
754 BeBr2 Beryllium bromide bebr2  
755 CaBr2 Calcium dibromide cabr2  
756 CaF2 Calcium difluoride caf2  
757 FCO Carbonyl fluoride fco  
758 FCO+ Carbonyl fluoride cation fco+  
759 ClCO carbonyl monochloride clco  
760 BF2 Boron difluoride radical bf2  
761 ClNO Nitrosyl chloride clno  
762 BrNO Nitrosyl bromide brno  
763 INO Nitrosyl iodide ino  
764 CFCl chlorofluoromethylene cfcl  
765 SiF2 Silicon difluoride sif2  
766 SiF2+ Silicon difluoride cation sif2+  
767 CCl2 dichloromethylene ccl2  
768 CCl2- dichloromethylene anion ccl2-  
769 CCl2+ dichloromethylene cation ccl2+  
770 SiCl2 Dichlorosilylene sicl2  
771 GeF2 Germanium difluoride gef2  
772 CBr2 dibromomethylene cbr2  
773 FOO+ Fluorine dioxide cation foo+  
774 ClOO chloroperoxy radical cloo  
775 ClOO+ chloroperoxy cation cloo+  
776 OClO- Chlorine dioxide anion oclo-  
777 OClO+ Chlorine dioxide cation oclo+  
778 ClS2 Sulfur chloride cls2  
779 BrOO Bromine dioxide broo  
780 OBrO Bromine dioxide radical obro  
781 PF2 Phosphorus difluoride pf2  
782 PF2+ Phosphorus difluoride cation pf2+  
783 SF2- sulfur difluoride anion sf2-  
784 SF2+ sulfur difluoride cation sf2+  
785 Cl2O Dichlorine monoxide cl2o  
786 SeF2 Selenium difluoride sef2  
787 BrOCl Bromine hypochlorite brocl  
788 BrOBr Bromine oxide brobr  
789 F3- trifluoride anion f3-  
790 Cl3- trichloride anion cl3-  
791 Br3- tribromide anion br3-  
792 I3- triiodide i3-  
793 SFCl Sulfur chloride fluoride sfcl  
794 HCCF+ fluoroacetylene cation hccf+  
795 HCCCl Chloroacetylene hcccl  
796 HCCBr bromoacetylene hccbr  
797 HFCO+ formyl fluoride cation hfco+  
798 COHCl Formyl chloride cohcl  
799 COHBr Formyl bromide cohbr  
800 BHCl2 Borane, dichloro- bhcl2  
801 CHCl2 dichloromethyl radical chcl2  
802 CHF2 difluoromethyl radical chf2  
803 CHF2+ difluoromethyl cation chf2+  
804 CHFCl Chlorofluoromethyl radical chfcl  
805 CHFCl+ Chlorofluoromethyl cation chfcl+  
806 CHCl2+ dichloromethyl cation chcl2+  
807 CHBr2 dibromomethyl radical chbr2  
808 HOClO Chlorous acid hoclo  
809 NHF2 difluoramine nhf2  
810 NHCl2 dichloroamine nhcl2  
811 CH2FCl fluorochloromethane ch2fcl  
812 SiH2F2 difluorosilane sih2f2  
813 CH2BrF Methane, bromofluoro- ch2fbr  
814 CH2BrCl Methane, bromochloro- ch2clbr  
815 CH2FI fluoroiodomethane ch2fi  
816 CH2Br2 dibromomethane ch2br2  
817 CH2ClI chloroiodomethane ch2cli  
818 CH2BrI bromoiodomethane ch2bri  
819 CH2I2 Diiodomethane ch2i2  
820 SiH2Cl2 dichlorosilane sih2cl2  
821 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
822 CH2CHF+ fluoroethene cation ch2chf+  
823 C2H3Cl Ethene, chloro- ch2chcl  
824 C2H3Br vinyl bromide c2h3br  
825 C2H3I Vinyl iodide c2h3i  
826 CH2FOH fluoromethanol ch2foh  
827 CH3OCl methyl hypochlorite ch3ocl  
828 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
829 CHClCH3 1-chloroethyl radical chclch3  
830 CH3CH2Cl Ethyl chloride c2h5cl  
831 CH3SiFH2 fluoromethylsilane ch3sifh2  
832 C2H5Br Ethyl bromide etbr  
833 C2H5I Ethyl iodide c2h5i  
834 KrF2 Krypton difluoride krf2  
835 XeF2 Xenon difluoride xef2  
836 B4H10 Tetraborane(10) b4h10  
837 C4H2+ diacetlyene cation c4h2+  
838 C4H4 cyclobutadiene cbd  
839 C4H4 Tetrahedrane c4h4  
840 CHCCH2CH3 1-Butyne c107006  
841 CH3CHCHCH2 methylallyl radical c4h7  
842 C4H8 methylcyclopropane mcp  
843 B(CH3)3 trimethylborane bme3  
844 Al(CH3)3 trimethyl aluminum tma  
845 SiH(CH3)3 trimethylsilane trimsi  
846 Li3N trilithium nitride li3n  
847 P4 Phosphorus tetramer p4  
848 As4 Arsenic tetramer as4  
849 H2CNCN cyanamide, methylene ch2ncn  
850 HNCCNH Ethenediimine hnccnh  
851 C3H3N+ acrylonitrile cation ch2chcn+  
852 CH3N3 methyl azide ch3n3  
853 NH2CCNH2 Diaminoacetylene daa  
854 NH2CH2CN Aminoacetonitrile aan  
855 CH3NHN2+ methyl azide, protonated ch3nhn2+  
856 C2H5CN ethyl cyanide c2h5cn  
857 CH5N3 Guanidine guanidine  
858 C4H6 Bicyclo[1.1.0]butane c157335  
859 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
860 H2NCHCHNH2 diaminoethylene dae  
861 CH6N3+ guanidinium ch6n3+  
862 CH7N3 triaminomethane tam  
863 C3H7N Azetidine azet  
864 NH2CH2CH2CH3 1-Propanamine pram1  
865 P(CH3)3 trimethylphosphine tmp  
866 N(SiH3)3 trisilylamine tsa  
867 As(CH3)3 trimethyl arsine tmas  
868 (CH3)3NH+ protonated trimethyl amine ptma  
869 C3H7NH3+ n-propylamine, protonated c3h7nh2  
870 Li2O2 dilithium dioxide li2o2  
871 Na2O2 disodium dioxide na2o2  
872 K2O2 dipotassium dioxide k2o2  
873 C3O Tricarbon monoxide c3o  
874 ONNO NO dimer onno  
875 CO3 Carbon trioxide co3  
876 NO3- nitrate anion no3-  
877 SO3- Sulfur trioxide anion so3-  
878 SO3-- Sulfate dianion so3--  
879 SO3+ Sulfur trioxide cation so3+  
880 SeO3 selenium trioxide seo3  
881 TeO3 Tellurium trioxide teo3  
882 HCO3- bicarbonate anion hco3-  
883 HSO3 Hydroxysulfonyl radical hso3  
884 NH2NO2 nitramide nh2no2  
885 C2H2CO cyclopropenone c2h2co  
886 C3H2O Propadienal c3h2o  
887 HCCCHO 2-propynal hcccho  
888 C2H2O2+ Ethanedial cation c2h2o2+  
889 H2CO3 Carbonic acid h2co3  
890 H2CS3 thiocarbonic acid h2cs3  
891 H2NO3+ Nitric Acid, Protonated h2no3+  
892 H2SO3 Sulfurous acid h2so3  
893 C2H3NO Nitrosoethylene c2h3no  
894 CH3NCO methylisocyante ch3nco  
895 HOCH2CN cyanomethanol hoch2cn  
896 NH2COOH Carbamic acid nh2cooh  
897 H3CO3+ carbonic acid, protonated h3co3+  
898 C3H4O 2-Propyn-1-ol c107197  
899 C3H4O Methylketene c6004440  
900 NH2CONH2+ Urea cation urea+  
901 NH2CSNH2 Thiourea thiourea  
902 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
903 NH3COOH+ protonated Carbamic acid nh3cooh+  
904 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
905 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
906 HCOOHH2O Formic acid water dimer hcoohh2o  
907 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
908 CH3COCH2 Acetonyl radical ch3coch2  
909 CH2C(OH)NH2 1-amino vinyl alchohol ava  
910 CH3C(OH)=NH Ethaninidic acid eia  
911 HCONHCH3 N-methylformamide nmfa  
912 CH5N2O+ urea, N-protonated ch4n2o+  
913 H2NCOHNH2+ urea, protonated ureah+  
914 C2H5OO ethylperoxy radical c2h5oo  
915 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
916 C3H5OH Cyclopropanol cproh  
917 C3H6O 2-Propen-1-ol c107186  
918 C3H6O Acetone enol enol  
919 C3H6O Oxetane oxetane  
920 CH3COCH3- acetone anion ch3coch3-  
921 C3H6S Thietane thietane  
922 C3H6S Thiirane, methyl- methiirane  
923 CH3CSCH3 Thioacetone ch3csch3  
924 CH3SOCH3 Dimethyl sulfoxide dmso  
925 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
926 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
927 CH3COHCH3+ acetone, protonated acetoneh+  
928 HOCH2CH2NH2 monoethanolamine mea  
929 C3H7SH 1-Propanethiol prsh  
930 CH3CHSHCH3 2-Propanethiol isoprsh  
931 CH3SCH2CH3 Ethane, (methylthio)- etsme  
932 H2OCH3OCH3 water dimethylether dimer h2och3och3  
933 Li2F2 Lithium fluoride dimer li2f2  
934 Na2F2 Sodium Fluoride Dimer na2f2  
935 Na2Cl2 Disodium dichloride na2cl2  
936 C2Cl2 dichloroacetylene c2cl2  
937 C2Cl2+ dichloroacetylene cation c2cl2+  
938 FNO2 Nitryl fluoride fno2  
939 FONO Nitrosyl hypofluorite fono  
940 ClNO2 Nitryl chloride clno2  
941 ClONO chlorine nitrite clono  
942 BrONO Bromine nitrite brono  
943 CF2O+ Carbonic difluoride cation f2co+  
944 COFCl Carbonic chloride fluoride cofcl  
945 CCl2O Phosgene cl2co  
946 COBr2 Carbonic dibromide cobr2  
947 BClF2 Chlorodifluoroborane bclf2  
948 AlF2Cl Aluminum chloride difluoride alclf2  
949 ScF3 Scandium trifluoride ScF3  
950 AlFCl2 Aluminum dichloride fluoride alcl2f  
951 BCl3 Borane, trichloro- bcl3  
952 BCl3+ Boron Trichloride cation bcl3+  
953 GaF3 Gallium trifluoride gaf3  
954 AlCl3 Aluminum trichloride alcl3  
955 GaCl3 Gallium trichloride gacl3  
956 BBr3 Boron tribromide bbr3  
957 AlBr3 Aluminum Bromide albr3  
958 ClO3 Chlorine trioxide clo3  
959 ClO3- chlorate anion clo3-  
960 BrO3- Bromate anion bro3-  
961 CF2Cl difluorochloromethyl radical cf2cl  
962 SiF3 Silicon trifluoride radical sif3  
963 SiF3+ Silicon trifluoride cation sif3+  
964 CFCl2 dichlorofluoromethyl radical cfcl2  
965 CCl3 Trichloromethyl radical ccl3  
966 CCl3- Trichloromethyl anion ccl3-  
967 CCl3+ Trichloromethyl cation ccl3+  
968 SiCl3 trichlorosilyl radical sicl3  
969 SiCl3+ trichlorosilyl cation sicl3+  
970 CBr3 tribromomethyl radical cbr3  
971 FOOF Perfluoroperoxide foof  
972 ClOOCl Dichlorine dioxide cloocl  
973 SOCl2 thionyl chloride socl2  
974 SeOCl2 selenium oxychloride seocl2  
975 PF3 Phosphorus trifluoride pf3  
976 NCl3 nitrogen trichloride ncl3  
977 AsF3 Arsenic trifluoride asf3  
978 PCl3 Phosphorus trichloride pcl3  
979 SbF3 Antimony Trifluoride sbf3  
980 AsCl3 Arsenous trichloride ascl3  
981 SbCl3 Antimony Trichloride sbcl3  
982 NBr3 Nitrogen Tribromide nbr3  
983 PBr3 Phosphorus tribromide pbr3  
984 AsBr3 Arsenic tribromide asbr3  
985 NI3 Nitrogen triiodide ni3  
986 PI3 Phosphorus triiodide pi3  
987 ClSSCl Disulfur dichloride s2cl2  
988 BrF3 Bromine trifluoride brf3  
989 IF3 iodone trifluoride if3  
990 CHF2Cl difluorochloromethane chf2cl  
991 SiHF3 trifluorosilane sihf3  
992 CHFCl2 fluorodichloromethane chfcl2  
993 CDCl3 trichloromethane-d cdcl3  
994 CHCl3 Chloroform chcl3  
995 CHBrF2 Methane, bromodifluoro- chbrf2  
996 SiHCl3 Trichlorosilane sihcl3  
997 CHFClBr fluorochlorobromomethane chfclbr  
998 CHBrCl2 Methane, bromodichloro- chbrcl2  
999 CHF2I difluoroiodomethane chf2i  
1000 CHBr2F dibromofluoromethane chbr2f  
1001 CHFClI fluorochloroiodomethane chfcli  
1002 CHCl2I dichloroiodomethane chcl2i  
1003 CHClBr2 Methane, dibromochloro- chclbr2  
1004 CHBr3 bromoform chbr3  
1005 CHI3 Iodoform chi3  
1006 NF3H+ protonated nitrogen trifluoride nf3h+  
1007 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1008 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1009 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1010 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1011 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1012 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1013 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1014 C2H2Br2 1,1-dibromoethene c2h2br2  
1015 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1016 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1017 CH2FCHO Fluoroacetaldehyde ch2fcho  
1018 CH2ClCHO chloroacetaldehyde ch2clcho  
1019 CH3COCl Acetyl Chloride ch3cocl  
1020 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1021 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1022 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1023 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1024 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1025 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1026 CH2CFCH3 2-fluoropropene 2fpro  
1027 CH2CHCH2F Allyl Fluoride allylf  
1028 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1029 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1030 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1031 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1032 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1033 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1034 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1035 CH2FCH2CH3 1-Fluoropropane prf1  
1036 CH3CHFCH3 2-Fluoropropane prf2  
1037 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1038 CH3CHClCH3 Propane, 2-chloro- prcl2  
1039 CH3CH2CH2Br n-propyl bromide prbr  
1040 CH3CHBrCH3 i-propyl bromide iprbr  
1041 C3H9O+ trimethyl oxonium cation c3h9o+  
1042 B5H9 pentaborane9 b5h9  
1043 C5H4 pentatetraene ptrene  
1044 C5H5 cyclopentadienyl radical c5h5  
1045 C5H6 Propellane propellane  
1046 C5H7 1,3-pentadienyl radical pdyl  
1047 C5H7 cyclopentenyl radical cpyl  
1048 C5H8 1-pentyne a1pentyne  
1049 C5H8 Bicyclo[1.1.1]pentane bcp  
1050 C5H8 Ethenylcyclopropane c693867  
1051 CH3CCCH2CH3 2-Pentyne 2pentyne  
1052 Si(CH3)4 tetramethylsilane tms  
1053 CH2N4 1H-Tetrazole 1htz  
1054 C3H3N2 imidazolyl radical im  
1055 C3H3N2- imidizolyl anion im-  
1056 C2H3N3 1H-1,2,4-Triazole c288880  
1057 C4H4N pyrrolide radical c4h4n  
1058 C4H4N- pyrrolide anion c4h4n-  
1059 C3H4N2 2H-Imidazole imid2h  
1060 C3H4N2 4H-Imidazole imid4h  
1061 C4H5N 2H-pyrrole pyrrole2  
1062 C4H5N 3H-pyrrole pyrrole3  
1063 CH2CHCH2CN Allylcyanide ch2chch2cn  
1064 C4H6N+ pyrrole, alpha-protonated appyr  
1065 C4H6N+ pyrrole, beta-protonated bppyr  
1066 C4H6N+ pyrrole, protonated ppyr  
1067 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1068 CH3CH2CH2CN Butanenitrile c109740  
1069 NH(C2H5)2 diethylamine dea  
1070 NC4H12+ tetramethyl ammonium cation nc4h12+  
1071 B2O3 diboron trioxide b2o3  
1072 MgCO3 Magnesium Carbonate mgco3  
1073 BeCO3 Beryllium Carbonate beco3  
1074 CaCO3 Calcium Carbonate caco3  
1075 ONONO Nitrosyl nitrite onono  
1076 PO4--- phosphate po4---  
1077 SO4-- sulfate so4--  
1078 HOONO2 peroxy nitric acid hoono2  
1079 HSO4- bisulfate anion hso4-  
1080 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1081 C3H2O2 Propiolic acid c3h2o2  
1082 CHOCOOH oxo acetic acid oaa  
1083 CHOOCHO diformyl ether choocho  
1084 H2SeO4 Selenic acid h2seo4  
1085 C3H3NO Oxazole oxazole  
1086 C3H3NS Thiazole thiazole  
1087 CH3C(O)OO acetyl peroxy radical ch3coo2  
1088 H3PO4 Phosphoric Acid h3po4  
1089 C4H4O+ Furan cation furan+  
1090 CH3COCCH 3-butyn-2-one c1423605  
1091 C4H4S Thiophene furans  
1092 C4H4Se selenophene c4h4se  
1093 C3H4O2 Methyl glyoxal megly  
1094 HOCHCCHOH allenediol aldiol  
1095 C2H4O3 1,2,3-trioxolane c2h4o3  
1096 C2H4O3 trioxolane124 triox  
1097 HOCH2COOH Hydroxyacetic acid hac  
1098 CH5N3S Hydrazinecarbothioamide c79196  
1099 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1100 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1101 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1102 CH2CHSCHCH2 Divinyl sulfide divis  
1103 CH3CH2COOH Propanoic Acid propanoic  
1104 HCOOC2H5 Ethyl formate faee  
1105 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1106 C4H8O Furan, tetrahydro- thf  
1107 C4H8S Thiophene, tetrahydro- tht  
1108 C3H8S2 1,3-Propanedithiol c109808  
1109 C4H10O 1-Butanol butanol1  
1110 C4H10O Methyl propyl ether meopr  
1111 C4H10O+ 1-Butanol cation butanol1+  
1112 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1113 C2H5SC2H5 Diethyl sulfide etset  
1114 C4H9SH 1-Butanethiol bush  
1115 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1116 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1117 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1118 ClONO2 Chlorine nitrate clono2  
1119 BrONO2 Bromine nitrate brono2  
1120 TiCl4 Titanium tetrachloride ticl4  
1121 ClO4- perchlorate anion clo4-  
1122 ClFO3 Perchloryl fluoride clfo3  
1123 SO2F2 Sulfuryl fluoride so2f2  
1124 SO2Cl2 Sulfuryl chloride so2cl2  
1125 F3PO Phosphoryl fluoride pf3o  
1126 Cl3PO Phosphoryl chloride pcl3o  
1127 CF3Cl Methane, chlorotrifluoro- cf3cl  
1128 SiF4 Silicon tetrafluoride sif4  
1129 TiF4 Titanium tetrafluoride tif4  
1130 CFCl3 Trichloromonofluoromethane cfcl3  
1131 CF3Br Bromotrifluoromethane cf3br  
1132 GeF4 Germanium tetrafluoride gef4  
1133 CCl4 Carbon tetrachloride ccl4  
1134 CCl4+ Carbon tetrachloride cation ccl4+  
1135 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1136 SiCl4 Silane, tetrachloro- sicl4  
1137 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1138 CF3I trifluoroiodomethane cf3i  
1139 CBrCl3 Methane, bromotrichloro- cbrcl3  
1140 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1141 GeCl4 Germanium Tetrachloride gecl4  
1142 CBr2ClF dibromochlorofluoromethane cbr2clf  
1143 CBr2Cl2 dibromodichloromethane cbr2cl2  
1144 CCl3I trichloroiodomethane ccl3i  
1145 CFBr3 fluorotribromomethane cfbr3  
1146 CFClBrI fluorochlorobromoiodomethane cfclbri  
1147 CBr3Cl tribromochloromethane cbr3cl  
1148 CF2I2 difluorodiiodomethane cf2i2  
1149 CBr4 Carbon tetrabromide cbr4  
1150 CCl2I2 dichlorodiiodomethane ccl2i2  
1151 SiBr4 Silicon tetrabromide sibr4  
1152 CBr3I tribromoiododmethane cbr3i  
1153 GeBr4 Germanium tetrabromide gebr4  
1154 CI4 tetraiodomethane ci4  
1155 SiI4 silicon tetraiodide sii4  
1156 ClOF3 Chlorine trifluoride oxide clof3  
1157 SeF4 Selenium tetrafluoride sef4  
1158 SCl4 Sulfur tetrachloride scl4  
1159 CHClCCl2 Trichloroethylene chclccl2  
1160 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1161 HSO3F Fluorosulfonic acid hso3f  
1162 CF3OH trifluoromethanol cf3oh  
1163 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1164 CHClCCHCl 1,3-dichloroallene chclcchcl  
1165 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1166 CHCl2CHO dichloroacetaldehyde chcl2cho  
1167 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1168 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1169 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1170 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1171 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1172 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1173 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1174 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1175 NH3BCl3 Amminetrichloroboron nh3bcl3  
1176 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1177 C3H5ClO Oxirane, (chloromethyl)- c106898  
1178 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1179 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1180 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1181 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1182 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1183 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1184 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1185 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1186 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1187 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1188 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1189 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1190 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1191 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1192 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1193 C4H9F 1-fluorobutane butaf1  
1194 CH3CHFCH2CH3 2-fluorobutane butaf2  
1195 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1196 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1197 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1198 XeF4 Xenon tetrafluoride xef4  
1199 C2H2N2O Furazan furazan  
1200 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1201 NH3BF3 Amminetrifluoroboron nh3bf3  
1202 C6H2 hexatriyne c6h2  
1203 C6H5- phenyl anion phenyl-  
1204 C6H6 Prismane prismane  
1205 C6H6 1,2,4,5-Hexatetraene ht1245  
1206 C6H6 3,4-Dimethylenecyclobutene cb34m  
1207 C6H6 Benzvalene bv  
1208 C6H6 Dewar Benzene dewar  
1209 C6H6 Hexa-1,5-diene-3-yne hdy153  
1210 C6H6 Trimethylenecycopropane tmcp  
1211 C6H6+ Benzene cation c6h6+  
1212 C6H7+ benzene, protonated c6h7+  
1213 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1214 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1215 C6H10 1,5-Hexadiene c592427  
1216 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1217 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1218 C6H12 (E)-2-Hexene e2hexene  
1219 C6H12 (E)-hex-3-ene e3hexene  
1220 C6H12 (Z)-hex-2-ene z2hexene  
1221 C6H12 (Z)-hex-3-ene z3hexene  
1222 C6H12 2,3-dimethylbut-1-ene c563780  
1223 C6H12 2,3-dimethyl-but-2-ene tmeet  
1224 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1225 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1226 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1227 C4H2N2 Fumaronitrile c4h2n2  
1228 C5H5N E-2,4-pentadienenitrile bdcn  
1229 C5H6N+ Pyridinium c5h6n  
1230 C6H10 Bicyclo[3.1.0]hexane c285585  
1231 Li2CO3 Lithium Carbonate li2co3  
1232 Na2CO3 Sodium Carbonate na2co3  
1233 MgSO4 Magnesium Sulfate mgso4  
1234 C3H2O3 vinylene carbonate vica  
1235 C2H2O4 Oxalic Acid oxalic  
1236 C4H4O2 2(5H)-Furanone furanone  
1237 C2H4N2S2 Ethanedithioamide c79403  
1238 C2H4CO3 Ethylene carbonate etco3  
1239 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1240 C3H4S3 1,3-Dithiolane-2-thione c822388  
1241 C2H4O4 Formic acid dimer fadimer  
1242 C4H5NS 4-Methylthiazole c693958  
1243 C2H5NO3 Nitric acid, ethyl ester c625581  
1244 C5H6O 2H-Pyran pyran2  
1245 C5H6O 2-methylfuran furan2m  
1246 C5H6O 3-Methylfuran furan3m  
1247 C5H6O Pentadienal pdal  
1248 C5H6S Thiophene, 2-methyl- c554143  
1249 C5H6S Thiophene, 3-methyl- c616444  
1250 C4H6O2 Crotonic Acid crot  
1251 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1252 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1253 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1254 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1255 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1256 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1257 C4H6OS Vinyl sulfoxide c1115157  
1258 CH6N4S Carbonothioic dihydrazide thiacarb  
1259 C3H6S3 1,3,5-Trithiane c3h6s3  
1260 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1261 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1262 C4H7NO Ethoxyacetonitrile etoaccn  
1263 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1264 C3H7ONO Propyl nitrite prono  
1265 C5H8O Cyclopentanone c120923  
1266 C5H8O Methyl cyclopropyl ketone c765435  
1267 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1268 C4H8O2 Ethyl acetate c141786  
1269 C4H8OS s-Ethyl thioacetate c625605  
1270 C3H8O3 1,2,3-Propanetriol glycerin  
1271 C3H8O2S (Methylsulfonyl)ethane c594434  
1272 C5H10O 2-methylbutyraldehyde 2meba  
1273 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1274 C5H10S 3-Ethylthio-1-propene c5296628  
1275 C5H10S Cyclopentanethiol c1679078  
1276 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1277 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1278 C4H10OS Diethyl sulfoxide c70291  
1279 C4H10S2 1,4-Butanedithiol budisl14  
1280 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1281 C5H12S 1-Butanethiol, 3-methyl- c541311  
1282 C5H12S 1-Pentanethiol c110667  
1283 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1284 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1285 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1286 C5H12S Butane, 1-(methylthio)- c628295  
1287 C5H12S Ethyl propyl sulfide c4110503  
1288 C5H12S Propane, 2-(ethylthio)- c5145993  
1289 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1290 C4F2 difluorobutadiyne c4f2  
1291 ClCOClCO Oxalyl chloride oxcl  
1292 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1293 C2F4+ Tetrafluoroethylene cation c2f4+  
1294 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1295 CF2CCl2 difluorodichloroethylene cf2ccl2  
1296 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1297 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1298 C2FCl3 fluorotrichloroethene c2fcl3  
1299 C2Cl4 Tetrachloroethylene c2cl4  
1300 C2Br4 tetrabromoethene c2br4  
1301 AsF5 Arsenic pentafluoride asf5  
1302 PCl5 Phosphorus pentachloride pcl5  
1303 SF5 Sulfur pentafluoride sf5  
1304 SF5+ pentafluoro sulfur cation sf5+  
1305 SbCl5 Antimony pentachloride sbcl5  
1306 BrF5 bromine pentafluoride brf5  
1307 ClF5 chlorinepentafluoride clf5  
1308 IF5 pentafluoroiodine if5  
1309 CF3CHO trifluoroacetaldehyde cf3cho  
1310 CCl3CHO trichloroacetaldehyde ccl3cho  
1311 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1312 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1313 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1314 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1315 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1316 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1317 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1318 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1319 CF3COOH trifluoroacetic acid cf3cooh  
1320 C4H3ClO Furan, 2-chloro fur2cl  
1321 C4H3ClO Furan,3-chloro fur3cl  
1322 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1323 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1324 C4H8Cl2 1,4-Dichlorobutane c110565  
1325 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1326 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1327 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1328 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1329 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1330 C5H11Cl Pentane, 1-chloro- pencl1  
1331 C4H8O2 Butanoic acid bua  
1332 C7H7 cycloheptatrienyl radical c7h7  
1333 C7H7+ cycloheptatrienyl cation c7h7+  
1334 C7H8 cycloheptatriene cht  
1335 C7H8 Norbornadiene norbor  
1336 C7H8 Quadricyclane qucy  
1337 C7H14 cycloheptane c7h14  
1338 CH(CN)3 tricyanomethane mecn3  
1339 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1340 C6H7N 2-Methylpyridine mp  
1341 C6H5NH2 aniline aniline  
1342 C6H13N 2-Methylpiperidine pip2m  
1343 C6H13N cyclohexanamine cham  
1344 C6H15N triethylamine tea  
1345 N2O5 Dinitrogen pentoxide n2o5  
1346 C4H2O3 Maleic Anhydride malan  
1347 C6H5O phenoxy radical phenoxy  
1348 C5H5NO 2(1H)-Pyridinone c72762006  
1349 C5H5NO 2(3H)-Pyridinone c9000048  
1350 C5H5NO 2(5H)-Pyridinone c9000037  
1351 C5H5NO 2-Pyridinol c109104  
1352 C5H5NO 3(2H)-Pyridinone c9000004  
1353 C5H5NO 3(4H)-Pyridinone c9000026  
1354 C5H5NO 3(6H)-Pyridinone c9000015  
1355 C5H5NO 3-Pyridinol c109002  
1356 C5H5NO 4(1H)-Pryidinone c9000060  
1357 C5H5NO 4(3H)-Pryidinone c9000059  
1358 C5H5NO 4-Pyridinol c626642  
1359 C6H6O 2,4-Cyclohexadienone c24599573  
1360 C6H6O 2,5-Cyclohexadienone c5664335  
1361 C6H5SH Benzenethiol phsh  
1362 HO2CCHNH2CH2OH Serine serine  
1363 C5H8O2 Acetylacetone acac  
1364 C4H8O2S Sulfolane sulfolane  
1365 C7H10 Norbornene norbornene  
1366 CH(C2H3)3 trivinyl methane tvm  
1367 C6H12O hexanal c6h12o  
1368 C6H12O Oxepane oxepane  
1369 C3H7OC3H7 di-n-propyl ether propr  
1370 F2CCCF2 tetrafluoroallene pfa  
1371 CF3COO- trifluoro acetate anion cf3coo-  
1372 CF3COF trifluoroacetyl fluoride cf3cof  
1373 CF3COCl trifluoroacetyl chloride cf3cocl  
1374 PF6 Hexafluorophosphate neutral pf6  
1375 SF6 Sulfur Hexafluoride sf6  
1376 SeF6 Selenium hexafluoride sef6  
1377 CF3CHF2 pentafluoroethane cf3chf2  
1378 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1379 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1380 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1381 CCl3CHCl2 pentachloroethane ccl3chcl2  
1382 C6H5Cl chlorobenzene bzcl  
1383 C6H5Br bromobenzene bzbr  
1384 C8H6 Calicene calicene  
1385 C8H6 benzocyclobutadiene bcbd  
1386 C8H6 Pentalene pentalene  
1387 CH3C6H4CH3 meta-xylene mxylene  
1388 CH3C6H4CH3 paraxylene pxylene  
1389 C8H14 Bicyclo[2.2.2]octane bico222  
1390 C8H16 cyclooctane cyclooct  
1391 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1392 C4O4-- squarate dianion c4o4--  
1393 S4N4 Tetrasulfur tetranitride s4n4  
1394 S8 Octasulfur s8  
1395 C4H4N2O2 Uracil uracil  
1396 C5H9NO2 Proline proline  
1397 C6H12O2 Methyl pivalate c598981  
1398 C6H12O2 Hexanoic acid hexa  
1399 C4F4 tetrafluorcyclobutadiene c4f4  
1400 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1401 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1402 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1403 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1404 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1405 C2Cl6 hexachloroethane c2cl6  
1406 IF7 Iodine heptafluoride if7  
1407 C6H4F2 metadifluorobenzene mdfb  
1408 C6H4Cl2 1,2-dichlorobenzene dcb12  
1409 C6H4Cl2 1,3-dichlorobenzene dcb13  
1410 C6H4Cl2 1,4-dichlorobenzene dcb14  
1411 C6H5NO nitrosobenzene bzno  
1412 C9H8 Indene indene  
1413 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1414 C9H12 n-propyl benzene prbz  
1415 C9H20 Nonane nonane  
1416 C(CN)4 tetracyanomethane c5n4  
1417 C5H4N4 purine purine  
1418 C8H7N Indole indole  
1419 C3H3N3O3 cyanuric acid cyanuric  
1420 CH3COC6H5 acetophenone acph  
1421 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1422 C3F6 hexafluoropropene c3f6  
1423 C6H3F3 Benzene trifluoride 123 bzf3a  
1424 C8H18O 1-Octanol octanol  
1425 C10H8 Azulene azu  
1426 C10H8 naphthalene naph  
1427 C10H10 bullvalene bullv  
1428 C6N4 Tetracyanoethylene tcne  
1429 C6N4- tetracyanoethylene anion tcne-  
1430 C10H22 Decane decane  
1431 C4F6 perfluorobutadiene c4f6  
1432 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1433 C3F8 perfluoropropane c3f8  
1434 Fe(CO)5 Iron pentacarbonyl ipc  
1435 Fe(C5H5)2 ferrocene fecp2  
1436 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1437 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1438 C12H8 Acenaphthylene acenaph  
1439 C12H8 biphenylene biph  
1440 C12H10 Heptalene heptalene  
1441 C6H12O6 Inositol inositol  
1442 C6F6 hexafluorobenzene c6f6  
1443 S2F10 disulphur decafluoride s2f10  
1444 C13H10 Fluorene fluorene  
1445 C14H10 Phenanthrene phenanthrene  
1446 C14H14 Bibenzyl bibenzyl  
1447 C12H10N2 azobenzene azobenzene  
1448 C6H5COC6H5 benzophenone benzophenone  
1449 C16H10 Pyrene pyrene  
1450 C18H12 Tetracene tetracene  
1451 C19H16 Triphenylmethane tpm  
1452 C24H12 Coronene coronene  
1453 C60 Buckminsterfullerene c60