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List of which calculations are completed at PBEPBEultrafine /cc-pVDZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 H2+ Hydrogen cation 2Σg+D∞h
6 He Helium atom 1SKh
7 He Helium atom   
8 He+ Helium atom cation 2SKh
9 HeH+ Helium hydride cation 1ΣC∞v
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na+ Sodium atom cation 1SKh
16 LiH Lithium Hydride 1ΣC∞v
17 LiH+ lithium hydride cation 2ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 NaH+ sodium hydride cation 2ΣC∞v
20 Be Beryllium atom 1SKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg+ Magnesium atom cation 2SKh
24 BeH beryllium monohydride 2ΣC∞v
25 MgH magnesium monohydride 2ΣC∞v
26 CaH Calcium monohydride 2ΣC∞v
27 CaH+ Calcium monohydride cation 2ΣC∞v
28 TiH Titanium monohydride 4ΦC∞v
29 ZnH+ Zinc, protonated   
30 BeH2 beryllium dihydride 1ΣgD∞h
31 BeH2+ Beryllium dihydride cation 2ΣC∞v
32 BeH2+ Beryllium dihydride cation 2ΣuD∞h
33 BeH2+ Beryllium dihydride cation   
34 MgH2 magnesium dihydride 1ΣgD∞h
35 B Boron atom 2PKh
36 B Boron atom 4PKh
37 B+ Boron atom cation 1SKh
38 Al Aluminum atom 2PKh
39 Al- Aluminum atom anion 3PKh
40 Al+ Aluminum atom cation 1SKh
41 Sc Scandium atom 2DKh
42 Sc+ Scandium cation 3DKh
43 Ga Gallium atom 2P 
44 Ga- Gallium atom anion 3POh
45 Ga+ Gallium atom cation 1S 
46 BH Boron monohydride 1ΣC∞v
47 BH Boron monohydride 3ΠC∞v
48 BH- boron monohydride anion 4ΣC∞v
49 ScH Scandium monohydride 1ΣC∞v
50 ScH+ Scandium monohydride cation 2ΣC∞v
51 GaH Gallium monohydride 1ΣC∞v
52 GaH+ Gallium monohydride cation 2ΣC∞v
53 BH2- boron dihydride anion 3B1C2v
54 BH2- boron dihydride anion 1A1C2v
55 BH2+ Boron dihydride cation 1ΣgD∞h
56 BH3 boron trihydride 1A1'D3h
57 BH3+ boron trihydride cation 2B2C2v
58 BH3+ boron trihydride cation  C2v
59 AlH3 aluminum trihydride 1A1'D3h
60 AlH3- aluminum trihydride anion  C3v
61 ScH3 Scandium trihydride 1A1'D3h
62 ScH3 Scandium trihydride 1A1C3v
63 GaH3 Gallium trihydride 1A1'D3h
64 BH4 borohydride 2B2C2v
65 BH4- borohydride anion 1A1Td
66 C Carbon atom 3P0Kh
67 C Carbon atom 3P1Kh
68 C- Carbon atom anion 2DKh
69 C+ Carbon atom cation 2PKh
70 Si Silicon atom 3PKh
71 Si Silicon atom 1SKh
72 Si- Silicon atom anion 4SKh
73 Si+ Silicon atom cation 2PKh
74 Ge Germanium atom 3PKh
75 Ge- Germanium anion 4SKh
76 Ge+ Germanium cation 2PKh
77 CH Methylidyne 2Π1/2C∞v
78 SiH Silylidyne 2ΠC∞v
79 SiH- silicon monohydride anion 3ΣC∞v
80 SiH+ silicon monohydride cation 1ΣC∞v
81 GeH germylidene 2ΠC∞v
82 GeH+ Germaniun monohyrdide cation 1ΣC∞v
83 CH2 Methylene 3B1C2v
84 CH2 Methylene 3ΣGD∞h
85 CH2 Methylene 1A1C2v
86 CH2- methylene anion 2B1C2v
87 CH2+ methylene cation 2A1C2v
88 CH2+ methylene cation 2ΠD∞h
89 SiH2 silicon dihydride 1A1C2v
90 SiH2 silicon dihydride 3B1C2v
91 GeH2 germylene 1A1C2v
92 GeH2- germylene anion 2B1C2v
93 CH3 Methyl radical 2A1D3h
94 CH3- methyl anion 1A1C3v
95 CH3+ methyl cation 1A1'D3h
96 SiH3 Silyl radical 2A1C3v
97 SiH3+ Silyl cation 1A1'D3h
98 GeH3 Germyl radical 2A1C3v
99 GeH3+ germyl cation 1A1'D3h
100 CD4 methane-d4 1A1Td
101 CH2D2 methane-d2 1A1C2v
102 CH3D methane-d 1A1C3v
103 CH4 Methane 1A1Td
104 CH4- Methane anion 2A1Td
105 CHD3 methane-d3 1A1C3v
106 SiH2D2 silane-d2   
107 SiH4 Silane 1A1Td
108 GeH4 Germane 1A1Td
109 SiH5+ Silane, protonated   
110 N Nitrogen atom 4SKh
111 N Nitrogen atom 2DKh
112 N+ Nitrogen atom cation 3PKh
113 P Phosphorus atom 4SKh
114 V Vanadium atom 4FKh
115 V+ Vanadium atom cation 5DKh
116 As Arsenic atomic 4SKh
117 As- Arsenic anion 3PKh
118 As+ Arsenic cation 3PKh
119 PH phosphorus monohydride 3Σ-C∞v
120 AsH Arsenic monohydride 3ΣC∞v
121 AsH Arsenic monohydride 1ΣC∞v
122 AsH+ Arsenic monohydride cation 2ΠC∞v
123 NH2 Amino radical 2B1C2v
124 NH2+ Amino cation 3B1C2v
125 NH2+ Amino cation 1A1C2v
126 AsH2+ Arsenic dihydride cation 1A1C2v
127 NH3 Ammonia 1A1C3v
128 NH3- Ammonia anion 2A1C3v
129 NH3+ ammonia cation 2A2"D3h
130 PH3 Phosphine 1A1C3v
131 PH3+ Phosphine cation 2A1C3v
132 AsH3 Arsine 1A1C3v
133 AsH3+ Arsine cation 2A1C3v
134 AsH4+ Arsonium   
135 NH4 Ammonium radical   
136 NH4+ ammonium cation 1A1Td
137 PH4 Phosphoranyl radical   
138 PH4+ phosphonium cation   
139 O Oxygen atom 3SKh
140 O+ Oxygen atom cation 4SKh
141 S Sulfur atom 3PKh
142 S Sulfur atom   
143 S- Sulfur atom anion 2PKh
144 S+ Sulfur atom cation 4SKh
145 Se Selenium atom 3PKh
146 Se- Selenium atom anion 2PKh
147 Se+ Selenium atom cation 4SKh
148 OH Hydroxyl radical 2ΠC∞v
149 OH- hydroxide anion 1ΣC∞v
150 OH+ hydoxyl cation 3ΣC∞v
151 HS Mercapto radical 2ΠC∞v
152 HS- mercapto anion 1ΣC∞v
153 HS+ sulfur monohydride cation 3ΣC∞v
154 CrH Chromium hydride 6ΣC∞v
155 CrH+ Chromium hydride cation 5ΣC∞v
156 HSe Selenium monohydride 2ΠC∞v
157 HSe- selenium monohydride anion 1ΣC∞v
158 HSe+ selenium monohydride cation 3ΣC∞v
159 H2O Water 1A1C2v
160 H2O- water anion 2A1C2v
161 H2O- water anion 2A'Cs
162 H2O+ water cation 2B1C2v
163 HDO Water-d1 1A1C2v
164 H2S Hydrogen sulfide 1A1C2v
165 H2S- Hydrogen sulfide anion 2A'Cs
166 H2S+ Hydrogen sulfide cation 2B1C2v
167 H2Se Hydrogen selenide 1A1C2v
168 H2Se+ Hydrogen selenide cation 2B1C2v
169 H3O+ hydronium cation 1A1C3v
170 H3S+ Sulfonium cation 1A1C3v
171 H3Se+ Hydrogen Selenide, protonated 1A1C3v
172 F Fluorine atom 2PKh
173 F- Fluorine atom anion 1SKh
174 F+ Fluorine atom cation 3SKh
175 F+ Fluorine atom cation 1DKh
176 Cl Chlorine atom 2PKh
177 Cl- Chlorine atom anion 1SKh
178 Cl+ Chlorine atom cation 3PKh
179 Cl+ Chlorine atom cation 1DKh
180 Br Bromine atom 2PKh
181 Br- Bromine atom anion 1SKh
182 Br+ Bromine atom cation 3PKh
183 HF Hydrogen fluoride 1ΣC∞v
184 HF- hydrogen fluoride anion 2ΣC∞v
185 HF+ hydrogen fluoride cation 2ΠC∞v
186 HCl Hydrogen chloride 1ΣC∞v
187 HCl- hydrogen chloride anion 2ΣC∞v
188 HCl+ hydrogen chloride cation 2ΠC∞v
189 HBr hydrogen bromide 1ΣC∞v
190 HBr- hydrogen bromide anion 2ΣC∞v
191 HBr+ hydrogen bromide cation 2ΠC∞v
192 H2Cl+ dihydrogen monochloride cation 1A1C2v
193 H2Br+ protonated hydrogen bromide 2A1C2v
194 Ne Neon atom 1SKh
195 Ne Neon atom   
196 Ne+ Neon atom cation 2PKh
197 Ar Argon atom 1SKh
198 Kr Krypton atom 1SKh
199 Kr+ Krypton cation 2PKh
200 HeLi+ Helium Lithium cation   
201 NeH neon hydrogen 2ΣC∞v
202 ArH+ Argon hydride cation 1ΣC∞v
203 KrH+ Protonated Krypton 1ΣC∞v
204 H2Ar H2 Ar dimer 1ΣC∞v
205 Li2 Lithium diatomic 1ΣgD∞v
206 NaLi lithium sodium 1ΣC∞v
207 Na2 Sodium diatomic 1ΣgD∞h
208 Na2- sodium diatomic anion 2ΣuD∞h
209 Na2+ sodium diatomic cation 2ΣgD∞h
210 Be2 Beryllium diatomic 1ΣgD∞h
211 Be2 Beryllium diatomic 3ΠgD∞h
212 BeMg Beryllium Magnesium 1ΣC∞v
213 Mg2 Magnesium diatomic 1ΣgD∞h
214 Ca2 Calcium diatomic 1ΣGD∞h
215 LiB Lithium boride 3ΠC∞v
216 LiAl Lithium Aluminum   
217 NaAl Sodium aluminum 1ΣC∞v
218 BeB Beryllium monoboride 2ΠC∞v
219 B2 Boron diatomic 3ΣgD∞h
220 B2 Boron diatomic 1ΣgD∞h
221 B2 Boron diatomic 5ΣuD∞h
222 B2+ Boron diatomic cation 2ΠD∞h
223 BAl Boron Aluminum 3ΣC∞v
224 BGa Boron Gallium 3ΣC∞v
225 AlGa Aluminum Gallium 3ΣC∞v
226 AlGa Aluminum Gallium 1ΣC∞v
227 Ga2 Gallium diatomic 3Piu 
228 HBBH Diborane(2) 3ΣGD∞h
229 LiBH4 Lithium borohydride 1A1C3v
230 B2H4 Diborane(4) D2d 1A1D2d
231 HBHHBH Diborane(4) C2V 1A1C2v
232 B2H6 Diborane 1AgD2h
233 B2H6+ Diborane cation   
234 Al2H6 dialane 1AGD2h
235 Ga2H6 digallane 1AGD2h
236 LiC Lithium Carbide 4ΣC∞v
237 BeC Beryllium Carbide 3Σ-C∞v
238 BeC Beryllium Carbide   
239 CaC Calcium monocarbide   
240 BC boron monocarbide 4Σ-C∞v
241 AlC Aluminum carbide 4ΣC∞v
242 BSi Boron silicide 4ΣC∞v
243 BSi Boron silicide 2ΣC∞v
244 C2 Carbon diatomic 1Σg+D∞h
245 C2 Carbon diatomic 3Σg- 
246 C2+ carbon diatomic cation 4ΣgD∞h
247 SiC silicon monocarbide 3ΣC∞v
248 SiC silicon monocarbide 1ΣC∞v
249 GeC Germanium monocarbide 1ΣC∞v
250 SiGe Silicon Germanium   
251 C2H Ethynyl radical 2ΣC∞v
252 C2H- Ethynyl anion 1ΣC∞v
253 C2H2 Acetylene 1ΣgD∞h
254 C2H2+ acetylene cation 2ΠuD∞h
255 C2H2+ acetylene cation   
256 CCH2 vinylidene 3B2C2v
257 H2CC- vinylidene anion   
258 HCCH- acetylene anion   
259 HCCH- acetylene anion   
260 Si2H2 disilyne   
261 Si2H2 disilyne   
262 Si2H2 disilyne   
263 Si2H2 disilyne   
264 CH3Li methyl lithium 1A1C3v
265 CH2BH methyleneborane 1A1C2v
266 C2H3 vinyl 2A'Cs
267 C2H3- vinyl anion 1A'Cs
268 C2H3+ vinyl cation 1A1C2V bridging H
269 C2H3+ vinyl cation 1A1C2V HCCH2
270 C2H4 Ethylene 1AgD2h
271 C2H4- Ethylene anion 2AgC2h
272 C2H4+ Ethylene cation 2B3D2
273 Si2H4 Disilene   
274 Si2H4 Disilene   
275 Si2H4 Disilene   
276 CH3BH2 methylborane 1A'Cs
277 C2H5 Ethyl radical 2A'Cs
278 C2H5- Ethyl anion 1A'Cs
279 C2H6 Ethane 1A1gD3d
280 C2H6 Ethane 1A1'D3h
281 Si2H6 disilane 1EuD3d
282 LiN Lithium Nitride 3ΣC∞v
283 LiP Lithium monophosphide   
284 LiP Lithium monophosphide   
285 BeN Beryllium mononitride 4ΣC∞v
286 BeN Beryllium mononitride 2ΠC∞v
287 BeN+ Beryllium mononitride cation 3ΣC∞v
288 BeN+ Beryllium mononitride cation 1ΣC∞v
289 MgN Magnesium Nitride   
290 MgN Magnesium Nitride   
291 BP Boron monophosphide 3ΠC∞v
292 BP Boron monophosphide 1ΣC∞v
293 AlP Aluminum monophosphide 3ΣC∞v
294 AlP Aluminum monophosphide 3ΠC∞v
295 AlP Aluminum monophosphide 1ΣC∞v
296 GaN Gallium mononitride 3ΠC∞v
297 GaN Gallium mononitride 1ΣC∞v
298 GaP Gallium monophosphide 3ΣC∞v
299 GaP Gallium monophosphide 1ΣC∞v
300 GaAs Gallium arsenide 3Π 
301 GaAs Gallium arsenide 1Σ 
302 BN boron nitride 3ΠC∞v
303 BN boron nitride 1ΣC∞v
304 CN Cyano radical 2ΣC∞v
305 CN- cyanide anion 1ΣC∞v
306 SiP Silicon monophosphide 2ΠC∞v
307 N2 Nitrogen diatomic 1ΣgD∞h
308 N2 Nitrogen diatomic   
309 N2- nitrogen diatomic anion 2ΠgD∞h
310 N2+ diatomic nitrogen cation 2ΣgD∞h
311 PN Phosphorus mononitride 1ΣC∞v
312 P2 Phosphorus diatomic 1ΣgD∞h
313 AsN Arsenic mononitride 1ΣC∞v
314 AsP Arsenic monophosphide 1ΣC∞v
315 HCN Hydrogen cyanide 1ΣC∞v
316 HCN+ hydrogen cyanide cation 2ΠC∞v
317 HNC+ hydrogen isocyanide cation   
318 HCP+ Phosphaethyne cation   
319 NNH+ Dinitrogen monohydride cation 1ΣC∞v
320 LiNH2 lithium amide   
321 HBNH Boranimine 1ΣC∞v
322 CNH2 Aminomethylidyne radical 2B2C2v
323 H2CN Dihydrogen cyanide radical 2B2C2v
324 HCNH methyleneazane 2A'CS cis
325 HCNH methyleneazane 2A'CS trans
326 H2NN Isodiazene   
327 N2H2 (E)-diazene 1AgC2h
328 N2H2 (Z)-Diazene 1A1C2v
329 N2H2+ trans-diazene cation 2AGC2h
330 CH2NH Methanimine 1A'Cs
331 CH2NH+ Methanimine cation   
332 CHNH2 aminomethylene   
333 CHNH2+ Aminocarbene cation   
334 CH2PH Phosphaethene 1A'Cs
335 BH2NH2 Boranamine   
336 CH2NH2+ methyleneamine cation 1A1C2v
337 N2H4 Hydrazine 1AC2
338 N2H4+ hydrazine cation 2AGC2h
339 CH3NH2 methyl amine 1A'Cs
340 CH3NH2+ methyl amine cation 2A'Cs
341 SiH3NH2 Silane, amino   
342 N2H5+ protonated hydrazine 1A'Cs
343 BH3PH3 borane phosphine   
344 BH3NH3 borane ammonia 1A1C3v
345 CH3NH3 methyl ammonium radical 2A1C3v
346 CH3PH3+ methyl phosphine, protonated 1A1C3v
347 NH3NH3 Ammonia Dimer 1AgC2h
348 NH3NH3 Ammonia Dimer 1A'Cs
349 N2H7+ ammonia ammonium dimer   
350 LiO lithium oxide 2ΣC∞v
351 LiS Lithium monosulfide 2ΠC∞v
352 LiS+ Lithium sulfide cation 3ΣC∞v
353 NaO sodium monoxide 2ΣC∞v
354 NaS Sodium sulfide 2ΠC∞v
355 LiSe Lithium monoselenide   
356 BeO beryllium oxide 1ΣC∞v
357 BeO+ Beryllium monoxide cation 2ΠC∞v
358 CaO Calcium monoxide 1ΣC∞v
359 CaS Calcium sulfide 1ΣC∞v
360 BO boron monoxide 2ΣC∞v
361 ScO Scandium monoxide 2ΣC∞v
362 GaO Gallium monoxide 2ΣC∞v
363 GaS Gallium monosulfide   
364 CO Carbon monoxide 1ΣC∞v
365 CO- carbon monoxide anion 2ΠC∞v
366 CO+ carbon monoxide cation 2ΣC∞v
367 SiO Silicon monoxide 1ΣC∞v
368 SiS silicon monosulfide 1ΣC∞v
369 TiO Titanium monoxide 3ΔC∞v
370 CSe Carbon monoselenide 1ΣC∞v
371 GeO Germanium monoxide 1ΣC∞v
372 GeO+ Germanium monoxide cation 2ΣC∞v
373 GeS Germanium monosulfide 1ΣC∞v
374 SiSe Silicon Monoselenide   
375 SiSe+ Silicon Monoselenide cation   
376 GeSe Germanium monoselenide   
377 NO Nitric oxide 2ΠC∞v
378 NO- nitric oxide anion 3ΣC∞v
379 NO+ nitric oxide cation 1ΣC∞v
380 NS Mononitrogen monosulfide 2ΠC∞v
381 NS- nitrogen sulfide anion 3ΣC∞v
382 PO Phosphorus monoxide 2ΠC∞v
383 PS phosphorus sulfide 2ΣC∞v
384 VO Vanadium monoxide 4Σ- 
385 NSe Nitrogen monoselenide 2ΠC∞v
386 AsS Arsenic monosulfide 2ΠC∞v
387 PSe Phosphorus monoselenide 2ΠC∞v
388 AsSe Arsenic monoselenide 2ΠC∞v
389 O2 Oxygen diatomic 3ΣgD∞h
390 O2 Oxygen diatomic 1ΔgD∞h
391 O2- oxygen diatomic anion 2ΠD∞h
392 O2-- dioxygen dianion   
393 O2+ diatomic oxygen cation 2ΠgD∞h
394 SO Sulfur monoxide 3ΣC∞v
395 SO Sulfur monoxide 1ΣC∞v
396 SO+ sulfur monoxide cation 2ΠC∞v
397 S2 Sulfur diatomic 3ΣgD∞h
398 SeO Selenium monoxide 3ΣC∞v
399 Se2 Selenium diatomic 3ΣgD∞h
400 LiOH lithium hydroxide 1ΣC∞v
401 BeOH beryllium monohydroxide 2A'Cs
402 BeOH beryllium monohydroxide 2ΣC∞v
403 HBO Boron hydride oxide 1ΣC∞v
404 HBS hydrogen boron sulfide 1ΣC∞v
405 COH Hydroxymethylidyne   
406 COH+ Carbon Monoxide, protonated 1ΣC∞v
407 HCO Formyl radical 2A'Cs
408 HCO- formyl anion 1A'Cs
409 HCO+ Formyl cation 1ΣC∞v
410 HNO Nitrosyl hydride 1A'Cs
411 HNO+ Nitrosyl hydride cation 2A'Cs
412 NOH Hydroxyimidogen 3A"Cs
413 NOH+ O-protonated nitric oxide 2A'Cs
414 HO2 Hydroperoxy radical 2A"Cs
415 HO2+ Hydroperoxy cation 3A"Cs
416 HSO+ Sulfur Monoxide, S-protonated   
417 SOH Sulfur Hydroxide   
418 SOH+ Sulfur Monoxide, protonated   
419 HS2 Thiosulfeno radical 2A"Cs
420 H2CO Formaldehyde 1A1C2v
421 H2CO- formaldehyde anion 2A'Cs
422 H2CO- formaldehyde anion   
423 H2CO+ formaldehyde cation 2B2C2v
424 HOCH hydroxycarbene 1A'CS trans
425 HOCH hydroxycarbene 1A'CS cis
426 H2CS Thioformaldehyde 1A1C2v
427 H2CS- thioformaldehyde anion   
428 H2CS- thioformaldehyde anion   
429 H2CS+ thioformaldehyde cation 2B2C2v
430 H2CSe Selenoformaldehyde   
431 H2NO nitroxide 2B1C2v
432 H2NO nitroxide 2A'Cs
433 H2O2 Hydrogen peroxide 1AC2
434 H2O2 Hydrogen peroxide 1AgC2h
435 H2O2+ Hydrogen peroxide cation 2BgC2h
436 H2O2+ Hydrogen peroxide cation 2A1C2v
437 H2OO water oxide   
438 HOSH hydrogen thioperoxide   
439 H2S2 Disulfane 1AC2
440 H2S2+ hydrogen disulfide cation 2BgC2h
441 H2Se2 hydrogen diselenide   
442 CH2OH Hydroxymethyl radical 2AC1
443 CH2OH+ hydroxymethyl cation 1A'Cs
444 CH3O- methoxy anion 1A1C3v
445 CH3O+ Methoxy cation 3A1C3v
446 H2CSH+ Thioformaldehyde, protonated 1A'Cs
447 NH2OH hydroxylamine 1A'Cs
448 NH2OH+ Hydroxylamine cation   
449 NH3O Ammonia Oxide 1A1C3v
450 H2POH Phosphinous acid 1A1'CS trans
451 H2POH Phosphinous acid 1A1'CS cis
452 H3PO Phosphine oxide 1A1C3v
453 NH2SH Thiohydroxylamine   
454 NH2SH Thiohydroxylamine   
455 NH3S sulfidoazane   
456 CH3OH Methyl alcohol 1A'Cs
457 CH3OH- Methyl alcohol anion 2A'Cs
458 CH3OH- Methyl alcohol anion 2A'CS eclipsed
459 CH3OH+ Methyl alcohol cation 2A"Cs
460 CH3OH+ Methyl alcohol cation 2AC1
461 CH3SH Methanethiol 1A'Cs
462 CH3SH+ Methanethiol cation 2A"Cs
463 SiH3OH silanol   
464 NH2OH2+ protonated hydroxylamine   
465 NH3OH+ N-protonated hydroxylamine   
466 H2OH2O water dimer 1A'Cs
467 CH3SH2+ protonated methylsulfide 1A'Cs
468 H5O2+ Dihydroxonium ion 1AC2
469 LiF lithium fluoride 1ΣC∞v
470 LiCl lithium chloride 1ΣC∞v
471 NaF sodium fluoride 1ΣC∞v
472 NaF+ sodium fluoride cation 2ΣC∞v
473 NaCl Sodium Chloride 1ΣC∞v
474 LiBr Lithium Bromide 1ΣC∞v
475 LiF+ lithium fluoride cation 2ΠC∞v
476 BeF- Beryllium monofluoride anion 1ΣC∞v
477 MgF+ magnesium fluoride cation 1ΣC∞v
478 TiCl Titanium Monochloride 4ΣC∞v
479 ZnF Zinc monofluoride 2ΣC∞v
480 CaBr Calcium monobromide   
481 BF Boron monofluoride 1ΣC∞v
482 AlF Aluminum monofluoride 1Σ+C∞v
483 AlCl Aluminum monochloride 1ΣC∞v
484 ScF Scandium monofluoride 1ΣC∞v
485 BBr Boron monobromide 1ΣC∞v
486 GaF Gallium monofluoride 1ΣC∞v
487 GaF+ Gallium monofluoride cation 2ΣC∞v
488 AlBr Aluminum monobromide   
489 GaCl Gallium monochloride 1ΣGC∞v
490 GaCl+ Gallium monochloride cation 2ΣC∞v
491 GaBr Gallium monobromide   
492 CF Fluoromethylidyne 2ΠC∞v
493 SiF silicon monofluoride 2ΠC∞v
494 SiF- silicon monofluoride anion 3ΣC∞v
495 SiF+ silicon monofluoride cation 1ΣC∞v
496 SiCl Clorosilylidyne 2ΠC∞v
497 CBr Carbon monobromide 2ΠC∞v
498 GeF Germanium monofluoride 2ΠC∞v
499 GeF+ Germanium monofluoride cation 1ΣC∞v
500 GeCl Germanium monochloride 2ΠC∞v
501 GeCl+ Germanium monochloride cation   
502 SiBr Silicon monobromide 2ΠC∞v
503 SiBr+ Silicon monobromide cation   
504 NCl nitrogen monochloride 3ΣC∞v
505 AsF Arsenic monofluoride 3ΣC∞v
506 AsF Arsenic monofluoride 1ΔC∞v
507 NBr nitrogen monobromide 3Σ-C∞v
508 AsCl Arsenic monochloride 3ΣC∞v
509 PBr Phosphorus monobromide   
510 FO Oxygen monofluoride 2ΠC∞v
511 ClO Monochlorine monoxide 2ΠC∞v
512 ClO+ chlorine monoxide cation 3ΣC∞v
513 SF Monosulfur monofluoride 2ΠC∞v
514 SF+ sulfur monofluoride cation 3ΣC∞v
515 SCl sulfur monochloride 2ΠC∞v
516 SCl+ sulfur monochloride cation 3ΣgC∞v
517 BrO Bromine monoxide 2ΠC∞v
518 BrO- Bromine monoxide anion 1ΣC∞v
519 BrO+ Bromine monoxide cation   
520 SeF Selenium monofluoride 2ΠC∞v
521 SBr Sulfur monobromide radical   
522 SBr+ Sulfur monobromide cation   
523 SeCl Selenium monochloride 2ΠC∞v
524 SeBr Selenium monobromide   
525 BrCl Bromine monochloride 1ΣC∞v
526 F2 Fluorine diatomic 1ΣgD∞h
527 F2- flourine diatomic anion 2ΣuD∞h
528 F2+ flourine diatomic cation 2ΠgD∞h
529 ClF Chlorine monofluoride 1Σ+C∞v
530 ClF+ clorine monofluoride cation 2ΠC∞v
531 Cl2 Chlorine diatomic 1ΣgD∞h
532 Cl2- chlorine diatomic anion 2ΣuD∞h
533 Cl2+ chlorine diatomic cation 2ΠgD∞h
534 BrF Bromine monofluoride 1ΣC∞v
535 Br2 Bromine diatomic 1ΣgD∞h
536 Br2- bromine diatomic anion 2ΣuD∞h
537 Br2+ bromine diatomic cation 2ΠgD∞h
538 HCF Fluoromethylene 1A'Cs
539 HCF Fluoromethylene 3A"Cs
540 HCCl Chloromethylene 1A'Cs
541 HCCl Chloromethylene 3A"Cs
542 HSiF fluorosilylene   
543 HSiCl Chlorosilylene   
544 HSiBr monobromosilylene   
545 HOF Hypofluorous acid 1A'Cs
546 HOCl hypochlorous acid 1A'Cs
547 HOCl+ hypochlorous acid cation   
548 HOBr Hypobromous acid 1A'Cs
549 HOBr+ Hypobromous acid cation 2A"Cs
550 F2H+ Fluorine, protonated 1A'Cs
551 ClFH+ Chlorine fluoride, F-protonated   
552 FClH+ Chlorine fluoride, Cl-protonated   
553 Cl2H+ Chlorine, protonated 1A'Cs
554 CH2Br bromomethyl radical   
555 CH2F fluoromethyl radical 2ACs
556 CH2F+ fluoromethyl cation   
557 CH2Cl+ chloromethyl cation   
558 CH2Cl chloromethyl radical 2A'Cs
559 CH2Cl chloromethyl radical 2B1C2v
560 NH2Cl chloramine 1A'Cs
561 CH3F+ methyl fluoride cation   
562 CD3F methylfluoride-d3 1A1C3v
563 CH3F Methyl fluoride 1A1C3v
564 CD3Cl methyl chloride d3 1A1C3v
565 CH3Cl Methyl chloride 1A1C3v
566 CH3Cl+ Methyl chloride cation   
567 SiH3F monofluorosilane 1A1C3v
568 SiH3Cl chlorosilane 1A1C1
569 CH3Br methyl bromide 1A1C3v
570 GeH3F monofluorogermane   
571 GeH3Cl monochlorogermane   
572 SiH3Br bromosilane 1A1C3v
573 NH3Cl+ protonated monochloroammonia   
574 CH3ClH+ methyl chloride, protonated   
575 NH4Cl Ammonium chloride   
576 LiNe+ Lithium Neon cation   
577 Ne2+ Neon diatomic cation 2ΣuD∞h
578 Ar2 Argon diatomic 1SgD∞h
579 Ar2+ Argon diatomic cation 2ΣuD∞h
580 Li3 Lithium trimer 2B2C2v
581 Li3+ Lithium trimer cation 1A1'D3h
582 C3 carbon trimer 1ΣgD∞h
583 C3 carbon trimer 1A1C2v
584 SiC2 Silicon dicarbide   
585 C3H3 cyclopropenyl radical 2A'Cs
586 C3H4 cyclopropene 1A1C2v
587 CH2CCH2 allene 1A1D2d
588 CH3CCH propyne 1A'C3v
589 C3H5 Allyl radical 2A2C2v
590 C3H5 Allyl radical 2A"Cs
591 CH3CHCH 1-propenyl radical 2A'Cs
592 C3H6 Cyclopropane 1A1'D3h
593 CH2CHCH3 Propene 1A'Cs
594 C3H7 n-Propyl radical 2A"C1
595 C3H7+ cyclopropane, protonated   
596 CH3CHCH3 Isopropyl radical 2AC2
597 CH3CHCH3+ Isopropyl cation 1AC2
598 C3H8 Propane 1A1C2v
599 Si3H8 trisilane   
600 LiCN lithium cyanide 1ΣC*V LiCN
601 LiCN lithium cyanide 1A'Cs
602 LiCN lithium cyanide 1ΣC*V LiNC
603 NaCN Sodium Cyanide 1ΣC∞v
604 NaCN Sodium Cyanide 1ACs
605 NaCN Sodium Cyanide 1ΣC∞v
606 ZnCN Zinc monocyanide 2ΣC∞v
607 ZnNC Zinc isocyanide 2ΣC∞v
608 AlCN Aluminum monocyanide   
609 AlNC Aluminum isocyanide   
610 CN2 3H-Diazirin-3-ylidene 1A1C2v
611 CNN Diazocarbene   
612 NCN Cyanoimidogen 3ΣgD∞h
613 NCN Cyanoimidogen 1ΣgD∞h
614 N3 azide radical 2ΠgD∞h
615 N3+ azide cation 3ΣgD∞h
616 N3+ azide cation 3ΣC∞v
617 HCCN cyanomethylene 3A"Cs
618 HCCN cyanomethylene 3ΣC∞v
619 HCCN cyanomethylene   
620 HN3 hydrogen azide 1A'Cs
621 HN3+ Hydrazoic acid cation   
622 HNCNH diiminomethane 1AC2
623 NH2CN cyanamide 1A1C2v
624 HNNNH+ 1,2-Triazadienium   
625 NH2NN+ hydrazoic acid, protonated   
626 CH3CN Acetonitrile 1A1C3v
627 CH3CN- acetonitrile anion 2EC3v
628 CH3CN- acetonitrile anion 2A'Cs
629 CHNCH2 2H-Azirine   
630 CHNHCH 1H-Azirine   
631 H2CCNH Ethenimine   
632 H2CNCH methyleneaminomethylene   
633 HCCNH2 Ethynamine   
634 HCNCH2+ 2H-Azirine cation   
635 HNCNH2+ diiminomethane, protonated 1A'Cs
636 NCNH3+ Cyanamide, protonated 1A1C3v
637 NH2CNH+ cyanamide, cn protonated   
638 NH3CN+ cyanamide, amine protonated   
639 CH2CHNH vinylazine 2A"CS cis
640 CH2CHNH vinylazine 2A"CS trans
641 CH3CHN methylmethaniminyl radical 2A'Cs
642 CH3CHNH ethanimine 1A'CS NH down
643 C2H5NH+ Protonated Aziridine 1A1C2v
644 C2H6N+ aziridine, protonated 1A1C2v
645 NH2CH2NH2 diaminomethane 1A1C2v
646 CH3CH2NH2 Ethylamine   
647 CH3PHCH3 dimethylphosphine 1A'Cs
648 (CH3)2NH2+ dimethylammonium cation 1A1C2v
649 CH3CH2NH3+ ethylamine, protonated 1A'Cs
650 Li2O dilithium oxide 1ΣgD∞h
651 Li2S dilithium sulfide 1ΣGD∞h
652 Li2S dilithium sulfide 1A1C2v
653 Na2O disodium monoxide 1ΣgLinear
654 Na2O disodium monoxide 1A1C2v
655 Na2S Sodium sulfide   
656 Na2S Sodium sulfide   
657 LiO2 Lithium dioxide   
658 NaO2 Sodium superoxide   
659 CCO Dicarbon monoxide 3ΣC∞v
660 CCO Dicarbon monoxide 1ΠC∞v
661 NCO isocyanato radical 2ΠC∞v
662 N2O Nitrous oxide 1ΣC∞v
663 N2O- Nitrous oxide anion 2A'Cs
664 NNS Nitrogen sulfide 1ΣC∞v
665 PPO Phosphorus oxide phosphide 1ΣC∞v
666 CO2 Carbon dioxide 1ΣgD∞h
667 CO2+ Carbon dioxide cation 2ΠC∞v
668 OCS Carbonyl sulfide 1ΣC∞v
669 CS2 Carbon disulfide 1ΣgD∞h
670 CS2- Carbon disulfide anion 2A1C2v
671 TiO2 Titanium dioxide 1A1C2v
672 SiS2 Silicon disulfide 1ΣGD∞h
673 GeO2 Germanium dioxide 1ΣgD∞h
674 OCSe Carbonyl selenide 1ΣC∞v
675 SCSe Carbon sulfide selenide   
676 GeS2 Germanium disulfide 1ΣGD∞h
677 CSe2 Carbon diselenide 1A1D∞h
678 NO2 Nitrogen dioxide 2A1C2v
679 NO2+ Nitrogen dioxide cation 1ΣGD∞h
680 NSO sulfinyl amidogen   
681 SNO Nitrogen oxide sulfide   
682 AsO2 Aresenic dioxide 2A1C2v
683 O3 Ozone 1A1Cs
684 SO2 Sulfur dioxide 1A1C2v
685 SSO Disulfur monoxide 1A'Cs
686 S3 Sulfur trimer 1A1C2v
687 S3 Sulfur trimer   
688 S3+ Sulfur trimer cation 2B2C2v
689 SeO2 Selenium dioxide 1A1C2v
690 SeO2+ Selenium dioxide cation 2A1C2v
691 HCCO ketenyl radical 2ΠC∞v
692 HCCO ketenyl radical 2A"Cs
693 HCNO fulminic acid 1ΣC∞v
694 HCNO fulminic acid 1A'Cs
695 HNCS Isothiocyanic acid   
696 HSCN thiocyanic acid 1A'Cs
697 HNNO+ Nitrous oxide, N-protonated 1A'Cs
698 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
699 HCOO formate neutral radical 2A'Cs
700 HOCO Hydrocarboxyl radical 1A'cis
701 HOCO Hydrocarboxyl radical 1A'trans
702 O3H+ protonated ozone 1A'Cs
703 O3H+ protonated ozone   
704 SO2H+ protonated sulfur dioxide 1A'Cs
705 C2H2O Oxirene 1A1C2v
706 CH2CO Ketene 1A1C2v
707 CH2CS Thioketene   
708 Be(OH)2 Beryllium hydroxide   
709 Be(OH)2 Beryllium hydroxide   
710 NH2NO Nitrosamide 1AC1
711 H2COO Dioxymethyl radical 2A'Cs
712 H2COO+ dioxymethyl cation 2A'Cs
713 HCOOH Formic acid 1A'Cs
714 HCOOH Formic acid   
715 H2O3 Hydrogen trioxide 1AC2
716 HSSSH trisulfane 1A'Cs
717 NaOCH3 Sodium methoxide 1A1C3v
718 CH2BOH hydroxy(methylene)borane 1A'Cs
719 BH3CO Borane carbonyl 1A1C3v
720 CH3BO Borane, methyloxo- 1A1C3v
721 CH2COH+ ketene, protonated   
722 CH2NOH formaldoxime 1A'Cs
723 CH3NO nitrosomethane 1A'Cs
724 CHONH2 formamide 1A'Planar
725 CHONH2 formamide 1ANon-Planar
726 CNOH3 1,2-oxaziridine 1AC1
727 HOCHNH hydroxymethylimine 1A'CS H all up
728 HOCHNH hydroxymethylimine 1A'CS OH down
729 HOCHNH hydroxymethylimine 1A'CS CH up
730 CHSNH2 thioformamide   
731 NHCHSH Methanimidothioic acid   
732 C2H4O Ethylene oxide 1A1C2v
733 C2H4O+ ethylene oxide cation   
734 CH3CHO Acetaldehyde 1A'Cs
735 CH3CHO+ acetaldehyde cation   
736 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
737 C2H4S Thiirane 1A1C2v
738 CH2CHSH Ethenethiol   
739 CH3CHS Thioacetaldehyde 1A'C1
740 H2CONH2+ protonated formamide 1A'Cs
741 NH2CHOH+ Formamide, O-protonated   
742 CH2(OH)2 methanediol 1AC2
743 CH3SSH Hydrogen methyl disulfide   
744 HSCH2SH Methanedithiol   
745 C2H4OH+ ethylene oxide, protonated 1A'Cs
746 CH3CHOH 1-hydroxy-ethyl radical 2AC1
747 CH3CHOH+ acetaldehyde, protonated 1A'Cs
748 NH2CH2OH aminomethanol   
749 CH3CH2OH Ethanol 1A'Cs
750 CH3OCH3 Dimethyl ether 1A1C2v
751 CH3CH2SH ethanethiol 1A'Cs
752 CH3CH2SH ethanethiol 1AC1
753 CH3SCH3 Dimethyl sulfide 1A1C2v
754 CH3SCH3+ dimethyl sulfide cation   
755 CH3SeCH3 dimethylselenide 1A1C2v
756 CuF2 Copper difluoride 2ΠgD∞h
757 CNF iso cyanogen fluoride 1ΣC∞v
758 BrCN Cyanogen bromide 1ΣC∞v
759 FBO Boron monofluoride monoxide   
760 BeF2 Beryllium fluoride 1ΣgD∞h
761 MgF2 Magnesium fluoride 1ΣgD∞h
762 BeCl2 Beryllium chloride 1ΣgD∞h
763 CaCl2 Calcium Chloride 1ΣgD∞h
764 BeBr2 Beryllium bromide   
765 CaBr2 Calcium dibromide   
766 FCO Carbonyl fluoride 2A'Cs
767 FCO+ Carbonyl fluoride cation 1ΣC∞v
768 ClCO carbonyl monochloride 2A'Cs
769 BF2 Boron difluoride radical 2A1C2v
770 FNO Nitrosyl fluoride 1A'Cs
771 ClNO Nitrosyl chloride 1A'Cs
772 FNS Thionitrosyl fluoride 1A'Cs
773 FSN Thiazyl fluoride 1A'Cs
774 OPCl Phosphorus oxychloride   
775 CF2 Difluoromethylene 1A1D∞h
776 CFCl chlorofluoromethylene 1A'Cs
777 SiF2 Silicon difluoride 1A1C2v
778 SiF2+ Silicon difluoride cation 2A1C2v
779 GeF2 Germanium difluoride 1A1C2v
780 GeCl2 Germanium dichloride 1A1C2v
781 CBr2 dibromomethylene 1A1C2v
782 CBr2 dibromomethylene 3B1C2v
783 FOO+ Fluorine dioxide cation   
784 OClO Chlorine dioxide 2B1D∞h
785 OClO- Chlorine dioxide anion 1A'Cs
786 ClSO Sulfur chloride oxide 2A"Cs
787 BrOO Bromine dioxide   
788 OBrO Bromine dioxide radical 2B1C2v
789 PF2 Phosphorus difluoride   
790 PF2+ Phosphorus difluoride cation   
791 FClO chlorosyl fluoride 1A'Cs
792 ClOF Chlorine hypofluorite 1A'Cs
793 SF2 sulfur difluoride 1A1C2v
794 SF2- sulfur difluoride anion 2A'Cs
795 SF2- sulfur difluoride anion 2ΠD∞h
796 SCl2 Sulfur dichloride 1A1C2v
797 SeF2 Selenium difluoride   
798 SeCl2 Selenium Dichloride   
799 SBr2 Sulfur dibromide   
800 SeBr2 Selenium dibromide   
801 F3- trifluoride anion 1ΣgD∞h
802 Cl3- trichloride anion 1ΣgD∞h
803 Br3- tribromide anion   
804 SFCl Sulfur chloride fluoride   
805 HCCF Fluoroacetylene 1ΣC∞v
806 HCCCl Chloroacetylene 1ΣC∞v
807 HCCBr bromoacetylene 1ΣC∞v
808 HFCO+ formyl fluoride cation 2A'Cs
809 CHCl2 dichloromethyl radical 2B1C2v
810 CHCl2 dichloromethyl radical 2A'Cs
811 CHF2 difluoromethyl radical 2ACs
812 CHF2+ difluoromethyl cation   
813 CHFCl Chlorofluoromethyl radical   
814 CHFCl+ Chlorofluoromethyl cation   
815 CHCl2+ dichloromethyl cation   
816 CHBr2 dibromomethyl radical   
817 NHF2 difluoramine   
818 NHCl2 dichloroamine   
819 CH2F2 Methane, difluoro- 1A1C2v
820 SiH2F2 difluorosilane   
821 CH2Cl2 Methylene chloride 1A1C2v
822 CH2BrF Methane, bromofluoro- 1A'Cs
823 CH2BrCl Methane, bromochloro- 1A'Cs
824 CH2Br2 dibromomethane 1A1C2v
825 SiH2Cl2 dichlorosilane 1A1C2v
826 CH3MgBr Methyl Magnesium Bromide   
827 CH2CHF Ethene, fluoro- 1A'Cs
828 CH2FOH fluoromethanol   
829 CH2CH2Cl 2-chloroethyl radical 2A'Cs
830 CHClCH3 1-chloroethyl radical 2AC1
831 C2H5Br Ethyl bromide 1A'Cs
832 KrF2 Krypton difluoride 1ΣGD∞h
833 B4H10 Tetraborane(10) 1A1C2v
834 C4 Carbon tetramer 3ΣgD∞h
835 C4 Carbon tetramer   
836 C4H2 Diacetylene 1ΣgD∞h
837 C4H2+ diacetlyene cation 2ΠgD∞h
838 C4H4 cyclobutadiene 1AgD2h
839 C4H4 Tetrahedrane   
840 C4H6 1-Methylcyclopropene 1AC1
841 CH2CHCHCH2 1,3-Butadiene 1AC2
842 CHCCH2CH3 1-Butyne 1A'Cs
843 CH3CHCHCH2 methylallyl radical 2A"Cs
844 C4H8 methylcyclopropane 1A'Cs
845 CH2CHCH2CH3 1-Butene 1AC1
846 CH3CH2CH2CH3 Butane 1AgAnti
847 CH3CH2CH2CH3 Butane 1AGauche
848 Li3N trilithium nitride 1A'D3h
849 Li3N trilithium nitride 1A1C3v
850 C2N2 Cyanogen 1ΣgD∞h
851 As4 Arsenic tetramer 1A1Td
852 HCCCN+ Cyanoacetylene cation 2ΠC∞v
853 H2CNCN cyanamide, methylene   
854 HNCCNH Ethenediimine   
855 C3H3N+ acrylonitrile cation 2A"Cs
856 CH3N3 methyl azide 1A'Cs
857 NH2CCNH2 Diaminoacetylene 1AC2
858 NH2CH2CN Aminoacetonitrile 1A'Cs
859 CH3NHN2+ methyl azide, protonated 1AC1
860 C2H5CN ethyl cyanide 1A'Cs
861 C4H6 Bicyclo[1.1.0]butane 1A1C2v
862 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
863 H2NCHCHNH2 diaminoethylene   
864 CH7N3 triaminomethane   
865 C4H8 cyclobutane 1A1D2d
866 NH2CH2CH2CH3 1-Propanamine 1A'Cs
867 P(CH3)3 trimethylphosphine 1A1C3v
868 N(SiH3)3 trisilylamine   
869 (CH3)3NH+ protonated trimethyl amine   
870 C3H7NH3+ n-propylamine, protonated 1A'Cs
871 C3O Tricarbon monoxide 1ΣC∞v
872 ONNO NO dimer 1Agtrans C2H
873 ONNO NO dimer 1A1cis C2V
874 S2N2 Disulfur dinitride 1AGD2h
875 CS3-- Carbonotrithioate   
876 NO3- nitrate anion 1A1'D3h
877 NO3+ nitrogen trioxide cation 1A1C2v
878 SO3 Sulfur trioxide 1A1'D3h
879 SO3-- Sulfate dianion   
880 SeO3 selenium trioxide 1A1'D3h
881 S4 Sulfur tetramer   
882 S4 Sulfur tetramer   
883 S4 Sulfur tetramer   
884 HNO3 Nitric acid 1A'Cs
885 NH2NO2 nitramide 1A'Cs
886 C3H2O Propadienal   
887 C3H2O Propadienal   
888 C2H2O2 Ethanedial 1AgC2h
889 H2SO3 Sulfurous acid 1A'Cs
890 C2H3NO Nitrosoethylene   
891 CH3NCO methylisocyante   
892 HOCH2CN cyanomethanol   
893 CH3NO2 Methane, nitro- 1A'Cs
894 NH2COOH Carbamic acid 1A'Cs
895 NH2COOH Carbamic acid 1AC1
896 H3AlO3 Aluminum hydroxide   
897 CH2CHCHO Acrolein 1A'Cs
898 CH2CHCHO Acrolein   
899 NH2CONH2 Urea 1AC2
900 NH2CONH2 Urea 1A'Cs
901 NH2CONH2 Urea 1A1C2v
902 NH2COOH2+ Carbamic acid, O-protonated 1AC1
903 NH3COOH+ protonated Carbamic acid 1A'Cs
904 CH3COCH2 Acetonyl radical 2A"Cs
905 CH2C(OH)NH2 1-amino vinyl alchohol   
906 CH3C(OH)=NH Ethaninidic acid   
907 CH3CHNOH Acetaldoxime 1A'CS cis
908 HCONHCH3 N-methylformamide 1A'CS cis
909 HCONHCH3 N-methylformamide 1A'CS trans
910 CH3CSNH2 Ethanethioamide   
911 CH5N2O+ urea, N-protonated 1A'Cs
912 H2NCOHNH2+ urea, protonated 1A'Cs
913 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
914 C3H5OH Cyclopropanol 1AC1
915 C3H6O 2-Propen-1-ol 1AC1
916 C3H6O Acetone enol 1A'Cs
917 C3H6O Oxetane 1A1C2v
918 C3H6O Oxetane 1A'Cs
919 CH3CH2CHO Propanal 1A'Cs
920 CH3COCH3 Acetone 1A1C2v
921 CH3COCH3- acetone anion 2A'Cs
922 CH3CSCH3 Thioacetone 1A1C2v
923 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
924 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
925 C3H7OH 1-Propanol   
926 CH3OC2H5 Ethane, methoxy- 1A'Cs
927 Li2F2 Lithium fluoride dimer   
928 FNO2 Nitryl fluoride 1A1C2v
929 FONO Nitrosyl hypofluorite 1A'CS cis
930 ClONO chlorine nitrite 1A'CS cis
931 CF2O Carbonic difluoride 1A1C2v
932 CF2O+ Carbonic difluoride cation   
933 Cl2CS Thiophosgene 1A1C2v
934 BF3 Borane, trifluoro- 1A'D3h
935 BF3+ boron trifluoride cation 2B2C2v
936 BF3+ boron trifluoride cation   
937 AlF3 Aluminum trifluoride 1A1'D3h
938 BClF2 Chlorodifluoroborane   
939 ScF3 Scandium trifluoride 1A1'D3h
940 BCl3 Borane, trichloro- 1A1'D3h
941 BCl3+ Boron Trichloride cation   
942 GaF3 Gallium trifluoride 1A1'D3h
943 GaCl3 Gallium trichloride 1A1'D3h
944 BBr3 Boron tribromide 1A1'D3h
945 CF3- Trifluoromethyl anion 1A1C3v
946 CF3+ Trifluoromethyl cation 1A1'D3h
947 CF2Cl difluorochloromethyl radical   
948 SiF3 Silicon trifluoride radical 2A1C3v
949 SiF3+ Silicon trifluoride cation 1A1'D3h
950 CFCl2 dichlorofluoromethyl radical   
951 CBr3 tribromomethyl radical   
952 ClO2F Chloryl fluoride 1A'Cs
953 F2SO Thionyl Fluoride 1A'Cs
954 ClOOCl Dichlorine dioxide 1AC2
955 SSCl2 Thiothionyl chloride   
956 NF3 Nitrogen trifluoride 1A1C3v
957 NCl3 nitrogen trichloride 1A1C3v
958 AsCl3 Arsenous trichloride 1A1C3v
959 NBr3 Nitrogen Tribromide 1A1C3v
960 PBr3 Phosphorus tribromide 1A1C3v
961 SF3 Sulfur trifluoride 2A'Cs
962 ClF3 Chlorine trifluoride 1A1'D3h
963 ClF3 Chlorine trifluoride 1A1C2v
964 HClO3 Chloric Acid 1A'Cs
965 HClO3 Chloric Acid 1AC1
966 CHF3 Methane, trifluoro- 1A1C3v
967 SiHF3 trifluorosilane   
968 CDCl3 trichloromethane-d 1A1C3v
969 CHCl3 Chloroform 1A1C3v
970 CHBrF2 Methane, bromodifluoro- 1A'Cs
971 CHFClBr fluorochlorobromomethane 1AC1
972 CHBrCl2 Methane, bromodichloro- 1A'Cs
973 CHBr2F dibromofluoromethane   
974 NF3H+ protonated nitrogen trifluoride 1A1C3v
975 AsF3H+ Arsenic trifluoride, protonated   
976 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
977 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
978 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
979 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
980 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
981 C2H4F2 1,2-difluoroethane 1AgC2H anti
982 C2H4F2 1,2-difluoroethane 1AC2 gauche
983 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
984 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
985 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
986 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
987 CH2BrCH2Cl 1-bromo-2-chloroethane   
988 CH2BrCH2Cl 1-bromo-2-chloroethane   
989 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
990 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
991 CH2CHCH2F Allyl Fluoride   
992 CH2CHCH2F Allyl Fluoride   
993 CH3CHCHF trans-1-Fluoro-1-propene   
994 CH2FCH2OH 2-fluoroethanol   
995 CH2ClCH2OH 2-Chloroethanol 1A'Cs
996 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
997 CH2FCH2CH3 1-Fluoropropane 1A'Cs
998 CH2FCH2CH3 1-Fluoropropane   
999 CH3CHFCH3 2-Fluoropropane 1A'Cs
1000 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
1001 B5H9 pentaborane9   
1002 C5H4 pentatetraene   
1003 C5H5 cyclopentadienyl radical 2B1C2v
1004 C5H6 Propellane 1A1D3h
1005 C5H8 Bicyclo[1.1.1]pentane   
1006 C5H8 Ethenylcyclopropane 1A'Cs
1007 CH2N4 1H-Tetrazole 1A'Cs
1008 C3H3N2 imidazolyl radical 2B1C2v
1009 C3H3N2- imidizolyl anion 1A1C2v
1010 C4H4N pyrrolide radical 2A2C2v
1011 C4H4N- pyrrolide anion 1A1C2v
1012 C3H4N2 1H-Imidazole 1A'Cs
1013 C3H4N2 2H-Imidazole 1A1C2v
1014 C3H4N2 4H-Imidazole 1A'Cs
1015 C4H5N Pyrrole 1A1C2v
1016 C4H6N+ pyrrole, alpha-protonated 1A'Cs
1017 C4H6N+ pyrrole, beta-protonated 1A'Cs
1018 C4H6N+ pyrrole, protonated 1A1C2v
1019 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
1020 CH3CH2CH2CN Butanenitrile 1A'Cs
1021 NH(C2H5)2 diethylamine 1A'Cs
1022 NC4H12+ tetramethyl ammonium cation 1A1Td
1023 C3O2 Carbon suboxide 1ΣGD∞h
1024 B2O3 diboron trioxide   
1025 B2O3 diboron trioxide   
1026 MgCO3 Magnesium Carbonate 1A1C2v
1027 BeCO3 Beryllium Carbonate 1A1C2v
1028 ONONO Nitrosyl nitrite 1A1C2v
1029 HOONO2 peroxy nitric acid 1AC1
1030 HSO4- bisulfate anion 1A'Cs
1031 C3H2O2 Propiolic acid 1A'Cs
1032 CHOOCHO diformyl ether   
1033 H2SeO4 Selenic acid 1AC2
1034 C3H3NO Isoxazole 1A'Cs
1035 C3H3NO Oxazole 1A'Cs
1036 C3H3NS Thiazole   
1037 C4H4O Furan 1A1C2
1038 CH3COCCH 3-butyn-2-one 1A'Cs
1039 C4H4Se selenophene   
1040 C3H4O2 Methyl glyoxal 1A'Cs
1041 HOCHCCHOH allenediol 1AC2
1042 C2H4O3 1,2,3-trioxolane 1A'Cs
1043 CH3OCH2CN Methoxyacetonitrile 1A'Cs
1044 CH3OCH2CN Methoxyacetonitrile 1AC1
1045 CH3SO2NH2 methanesulfonamide 1A'Cs
1046 CH2CHOCHCH2 Vinyl ether 1AC1
1047 CH2CHSCHCH2 Divinyl sulfide   
1048 CH3CH2COOH Propanoic Acid 1A'Cs
1049 HCOOC2H5 Ethyl formate 1A'Cs
1050 C2H6O2S Dimethyl sulfone 1A1C2v
1051 C4H8S Thiophene, tetrahydro- 1AC1
1052 C4H10O 1-Butanol 1A'Cs
1053 C4H10O Ethoxy ethane 1A1C2v
1054 C4H10O Methyl propyl ether 1AC1
1055 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
1056 C4H9SH 1-Butanethiol   
1057 BrONO2 Bromine nitrate 1A'Cs
1058 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1059 CF2Cl2 difluorodichloromethane 1A1C2v
1060 TiF4 Titanium tetrafluoride 1A1Td
1061 CF3Br Bromotrifluoromethane 1A1C3v
1062 GeF4 Germanium tetrafluoride 1A1Td
1063 CCl4 Carbon tetrachloride 1A1Td
1064 CBrCl2F bromodichlorofluoromethane   
1065 CBr2ClF dibromochlorofluoromethane   
1066 CBr2Cl2 dibromodichloromethane 1A1C2v
1067 CFBr3 fluorotribromomethane 1A1C3v
1068 CBr3Cl tribromochloromethane 1A1C3v
1069 CBr4 Carbon tetrabromide 1A1Td
1070 SiBr4 Silicon tetrabromide 1A1Td
1071 GeBr4 Germanium tetrabromide   
1072 ClOF3 Chlorine trifluoride oxide 1A'Cs
1073 SF4 Sulfur tetrafluoride 1A1C2v
1074 SeF4 Selenium tetrafluoride   
1075 SCl4 Sulfur tetrachloride   
1076 CF3OH trifluoromethanol 1A'Cs
1077 CH2ClCCCl 1,3-dichloropropyne   
1078 CHCl2CCH 3,3-dichloropropyne   
1079 CHCl2CHO dichloroacetaldehyde   
1080 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1081 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
1082 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
1083 SiCl3CH3 methyltrichlorosilane 1A1C3v
1084 CH3CBr3 1,1,1-tribromoethane 1A1C3v
1085 SiH3CCl3 (trichloromethyl)silane 1A1C3v
1086 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
1087 CH2FCH2CH2F 1,3-difluoropropane   
1088 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
1089 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
1090 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1091 C2H2N2O Furazan   
1092 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
1093 NH3BF3 Amminetrifluoroboron 1A1C3v
1094 C6H2 hexatriyne 1ΣgD∞h
1095 C6H5- phenyl anion 1A1C2v
1096 C6H6 Prismane   
1097 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1098 C6H6 Benzene 1A1gD6h
1099 C6H6 Benzvalene 1A1C2v
1100 C6H6 Dewar Benzene   
1101 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1102 C6H6 Trimethylenecycopropane 1A'D3h
1103 C6H7+ benzene, protonated 1A1C2v
1104 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1105 C6H10 1,5-Hexadiene 1AgC2
1106 C6H10 3-Hexyne 1A1C2v
1107 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1A'Cs
1108 C6H12 (E)-hex-3-ene 1AGCi
1109 C6H12 (Z)-hex-3-ene 1AC2
1110 C6H12 2,3-dimethylbut-1-ene 1A'C2
1111 C6H12 hex-1-ene 1A'Cs
1112 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1113 C4H2N2 Fumaronitrile 1AgC2h
1114 C5H6N+ Pyridinium 1A1C2v
1115 Na2CO3 Sodium Carbonate 1A1C2v
1116 MgSO4 Magnesium Sulfate 1A1C2v
1117 N2O4 Dinitrogen tetroxide 1AgD2d
1118 C3H2O3 vinylene carbonate   
1119 C2H2O4 Oxalic Acid 1AgC2h
1120 C2H4N2S2 Ethanedithioamide 1AGC2h
1121 C2H4CO3 Ethylene carbonate 1A1C2v
1122 C2H4CO3 Ethylene carbonate 1AC2
1123 C2H4O4 Formic acid dimer 1AGC2h
1124 C2H5NO3 Nitric acid, ethyl ester 1A'C1
1125 C5H6O 2H-Pyran   
1126 C5H6O Pentadienal   
1127 C4H6O2 γ–Butyrolactone 1AC1
1128 C3H6O3 1,3,5-Trioxane 1A1C1
1129 C3H6S3 1,3,5-Trithiane 1A1C3v
1130 C4H7NO Ethoxyacetonitrile 1A'Cs
1131 C5H8O Cyclopentanone 1AC2
1132 C5H8O Methyl cyclopropyl ketone 1A'Cs
1133 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
1134 C4H8O2 Ethyl acetate 1A'Cs
1135 C5H10O 2-methylbutyraldehyde 1AC1
1136 C5H10O 3-Pentanone 1A1C2v
1137 C4F2 difluorobutadiyne   
1138 ClCOClCO Oxalyl chloride 1AGC2h
1139 B2Cl4 Diboron tetrachloride 1A1D2
1140 C2ClF3 Ethene, chlorotrifluoro-   
1141 CF2CCl2 difluorodichloroethylene 1A1C2v
1142 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
1143 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
1144 C2Br4 tetrabromoethene   
1145 CF3OF Trifluoromethylhypofluorite 1A'Cs
1146 SiF5- silicon pentafluoride anion   
1147 SOF4 Sulfur tetrafluoride oxide 1A1C2v
1148 PF5 Phosphorus pentafluoride 1A1'D3h
1149 SF5 Sulfur pentafluoride 2A1C4v
1150 SF5+ pentafluoro sulfur cation 1A1'D3h
1151 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
1152 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
1153 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
1154 CH2ClCCl3 1,1,1,2-tetrachloroethane   
1155 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
1156 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1157 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
1158 CF3COOH trifluoroacetic acid 1A'Cs
1159 C4H3ClO Furan, 2-chloro 1A'Cs
1160 C4H3ClO Furan,3-chloro 1A'Cs
1161 C4H8O2 Butanoic acid 1AC1
1162 C7H7 cycloheptatrienyl radical 2A2C2v
1163 C7H7+ cycloheptatrienyl cation 1A1'D7h
1164 C7H14 cycloheptane 1AC2
1165 CH(CN)3 tricyanomethane   
1166 HN=C=C(CN)2 Dicyanoketenimine   
1167 C6H15N triethylamine 1AC3
1168 C5H4O2 furfural 1A'OCCO cis
1169 C5H4O2 furfural 1A'OCCO trans
1170 C6H6O 2,5-Cyclohexadienone 1A1C2v
1171 HO2CCHNH2CH2OH Serine 1AC1
1172 C5H8O2 Acetylacetone 1AC2
1173 C7H10 Norbornene   
1174 C6H12O Oxepane   
1175 C3H7OC3H7 di-n-propyl ether 1AC2
1176 F2CCCF2 tetrafluoroallene   
1177 CF3COO- trifluoro acetate anion 1A'Cs
1178 CF3COF trifluoroacetyl fluoride 1A'Cs
1179 PF6 Hexafluorophosphate neutral 2B2C2v
1180 PF6- Hexafluorophosphate ion 1A1GOh
1181 SF6 Sulfur Hexafluoride 1A1GOh
1182 SeF6 Selenium hexafluoride 1A1GOh
1183 SF5Cl sulfur chloropentafluoride 1A1C4v
1184 CF3CHF2 pentafluoroethane 1A'Cs
1185 C8H6 Calicene 1A1C2v
1186 C8H6 benzocyclobutadiene 1A1C2v
1187 C8H6 Pentalene 1AgC2h
1188 C8H8 cubane 1A1GOh
1189 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
1190 C8H16 cyclooctane 1A1D4d
1191 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
1192 S4N4 Tetrasulfur tetranitride   
1193 C6H5CHO benzaldehyde 1A'Cs
1194 C5H9NO2 Proline 1AC1
1195 C4F4 tetrafluorcyclobutadiene 1A1GD4h
1196 C4F4 tetrafluorcyclobutadiene 1AGC2h
1197 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
1198 C2Cl6 hexachloroethane 1A1gD3d
1199 C6H4F2 1,4-difluorobenzene 1AgD2h
1200 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
1201 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
1202 C6H4Cl2 1,4-dichlorobenzene   
1203 C6H5NO nitrosobenzene 1A'Cs
1204 C9H8 Indene 1A'Cs
1205 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
1206 C9H12 n-propyl benzene 1A'Cs
1207 C9H20 Nonane 1A1C2v
1208 C(CN)4 tetracyanomethane 1A1Td
1209 C3H3N3O3 cyanuric acid 1A1'D3h
1210 CH3COC6H5 acetophenone 1AC1
1211 C3F6 hexafluoropropene   
1212 C6H3F3 Benzene trifluoride 123 1A1C2v
1213 C8H18O 1-Octanol   
1214 C10H8 Azulene 1A1C2v
1215 C10H8 naphthalene 1AgD2h
1216 C10H10 bullvalene   
1217 C10H22 Decane 1AGC2h
1218 B12H12-- Dodecahydrododecaborate(2-)   
1219 C12H8 biphenylene 1AgD2h
1220 C12H10 Heptalene 1AC2
1221 C6H12O6 Inositol 1A1GD3d
1222 S2F10 disulphur decafluoride   
1223 C13H10 Fluorene   
1224 C14H14 Bibenzyl 1AC2
1225 C12H10N2 azobenzene 1AGC2h
1226 C6H5COC6H5 benzophenone 1AC2
1227 C19H16 Triphenylmethane 1AC3
1228 C24H12 Coronene 1A1GD6h
1229 C60 Buckminsterfullerene 1AGIh

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 HeH Helium hydride heh  
10 Na- Sodium atom anion na-  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 LiH- lithium hydride anion lih-  
18 NaH- sodium hydride anion nah-  
19 KH Potassium hydride kh  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Be- Beryllium atom anion be-  
23 Mg- Magnesium atom anion 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 BeH- berylium monohydride anion beh-  
31 BeH+ beryllium monohydride cation beh+  
32 MgH- magnesium monohydride anion mgh-  
33 MgH+ magnesium monohydride cation mgh+  
34 ZnH Zinc monohydride znh  
35 CaH2 Calcium Hydride cah2  
36 ZnH2 Zinc hydride znh2  
37 B- Boron atom anion b-  
38 BH- boron monohydride anion bh-  
39 BH+ boron monohydride cation bh+  
40 AlH aluminum monohydride alh  
41 AlH- aluminum monohydride anion alh-  
42 AlH+ aluminum monohydride cation alh+  
43 BH2 boron dihydride bh2  
44 AlH2 aluminum dihydride alh2  
45 AlH2- aluminum dihydride anion alh2-  
46 AlH2+ aluminum dihydride cation alh2+  
47 BH3- boron trihydride anion bh3-  
48 AlH3+ aluminum trihydride cation alh3+  
49 AlH4- Aluminum tetrahydride anion alh4-  
50 C- Carbon atom anion c-  
51 Ti Titanium atom ti  
52 Ti- Titanium atom anion ti-  
53 Ti+ Titanium atom cation ti+  
54 Sn Tin atom sn  
55 Sn+ Tin cation sn+  
56 CH- methylidyne anion ch-  
57 CH+ Methylidyne cation ch+  
58 SiH2- silicon dihydride anion sih2-  
59 SiH2+ silicon dihydride cation sih2+  
60 SiH3- Silyl anion sih3-  
61 CH4+ Methane cation ch4+  
62 SiH4+ Silane cation sih4+  
63 SnH4 Stannane snh4  
64 N- Nitrogen atom anion n-  
65 P- Phosphorus atom anion p-  
66 P+ Phosphorus atom cation p+  
67 Sb Antimony atom sb  
68 NH Imidogen nh  
69 NH- Imidogen anion nh-  
70 NH+ imidogen cation nh+  
71 PH- phosphorus monohydride anion ph-  
72 PH+ phosphorus monohydride cation ph+  
73 SbH Antimony monohydride sbh  
74 ND2 Amidogen-d2 nd2  
75 NH2- amino anion nh2-  
76 PH2 Phosphino radical ph2  
77 PH2- Phosphino anion ph2-  
78 PH2+ Phosphino cation ph2+  
79 AsH2 Arsenic dihydride ash2  
80 ND3 Ammonia-d3 nd3  
81 SbH3 Stibine sbh3  
82 O- Oxygen atom anion o-  
83 Cr Chromium atom cr  
84 Te Tellurium atom te  
85 Te+ Tellurium atom cation te+  
86 DO Hydroxyl-d od  
87 DS Mercapto-d ds  
88 TeH Telluryl radical teh  
89 D2O Deuterium oxide d2o  
90 D2S Hydrogen sulfide-d2 d2s  
91 H2Te Hydrogen Telluride h2te  
92 Mn Manganese atom mn  
93 I Iodine atom iodine  
94 I- Iodine atom anion iodine-  
95 I+ Iodine atom cation iodine+  
96 DF Hydrofluoric acid-d df  
97 DCl Hydrochloric acid-d dcl  
98 HI Hydrogen iodide hi  
99 HI+ Hydrogen iodide cation hi+  
100 H2F+ dihydrogen fluoride cation h2f+  
101 H2I+ Iodonium h2i+  
102 Ne- Neon atom anion ne-  
103 Ar- Argon atom anion ar-  
104 Ar+ Argon atom cation ar+  
105 Fe Iron atom fe  
106 Xe Xenon atom xe  
107 NeH+ neon hydrogen cation neh+  
108 XeH+ Xenon, protonated xeh+  
109 Co Cobalt atom cobalt  
110 Ni Nickel atom ni  
111 Li2- lithium diatomic anion li2-  
112 NaLi- lithium sodium anion lina-  
113 NaLi+ lithium sodium cation lina+  
114 LiK Lithium Potassium lik  
115 NaK Sodium Potassium nak  
116 NaK+ Sodium Potassium diatomic cation nak+  
117 K2 Potassium diatomic k2  
118 Cu2 Copper diatomic cu2  
119 LiBe Lithium Beryllium libe  
120 LiMg Lithium magnesium limg  
121 NaBe Sodium Beryllium nabe  
122 NaMg Sodium Magnesium namg  
123 Be2- Beryllium diatomic anion be2-  
124 Be2+ Beryllium diatomic cation be2+  
125 Mg2- magnesium diatomic anion mg2-  
126 Mg2+ magnesium diatomic cation mg2+  
127 B2- Boron diatomic anion b2-  
128 Al2 Aluminum diatomic al2  
129 Al2- aluminum diatomic anion al2-  
130 Al2+ aluminum diatomic cation al2+  
131 BC- boron monocarbide anion bc-  
132 BC+ boron monocarbide cation bc+  
133 C2- carbon diatomic anion c2-  
134 SiC- silicon monocarbide anion sic-  
135 SiC+ silicon monocarbide cation sic+  
136 Si2 Silicon diatomic si2  
137 Si2- silcon diatomic anion si2-  
138 Si2+ silcon diatomic cation si2+  
139 Ge2 Germanium diatomic ge2  
140 C2H+ Ethynyl cation c2h+  
141 ZnCH2 Zinc methylene znch2  
142 CCH2 vinylidene vinylidene  
143 CuCH3 monomethyl copper cuch3  
144 ZnCH3 Zinc monomethyl znch3  
145 CH3CH methylmethylene ch3ch  
146 CH2SiH2 silaethylene ch2sih2  
147 C2H5+ Ethyl cation c2h5+  
148 C2H6+ ethane cation c2h6+  
149 CH3SiH3 methyl silane ch3sih3  
150 GeH3CH3 methyl germane geh3ch3  
151 C2H7+ Ethane, protonated c2h7+  
152 LiN+ Lithium Nitride cation lin+  
153 BeN- Beryllium mononitride anion ben-  
154 BN- boron nitride anion bn-  
155 AlN- aluminum mononitride anion aln-  
156 AlN+ aluminum mononitride cation aln+  
157 BN+ boron nitride cation bn+  
158 AlN Aluminum nitride aln  
159 CN+ Cyano cation cn+  
160 CP Carbon monophosphide cp  
161 CP- carbon monophosphide anion cp-  
162 CP+ carbon monophosphide cation cp+  
163 SiN Silicon nitride sin  
164 SiN- silicon mononitride anion sin-  
165 SiN+ silicon mononitride cation sin+  
166 SiP- Silicon monophosphide anion sip-  
167 SiP+ Silicon monophosphide cation sip+  
168 TiN Titanium mononitride tin  
169 PN- phosphorus nitride anion pn-  
170 PN+ phosphorus nitride cation pn+  
171 P2- phosphorus diatomic anion p2-  
172 P2+ phosphorus diatomic cation p2+  
173 SbN Antimony nitride sbn  
174 As2 Arsenic diatomic as2  
175 HNB hydrogen nitrogen boron hnb  
176 HNC hydrogen isocyanide hnc  
177 HCN- Hydrogen cyanide anion hcn-  
178 HCP Phosphaethyne hcp  
179 NNH Dinitrogen monohydride nnh  
180 HPO Hydrogen phosphorus oxide hpo  
181 HPO+ Hydrogen phosphorus oxide cation hpo+  
182 CNH2+ N-protonated hydrogen isocyanide cnh2+  
183 H2CN+ hydrocyanonium cation h2cn+  
184 HCNH+ N-protonated HCN hcnh+  
185 P2H4 Diphosphine p2h4  
186 CH3PH2 Methyl phosphine ch3ph2  
187 CH3NH3+ protonated methylamine ch3nh3+  
188 LiO- lithium oxide anion lio-  
189 LiO+ lithium oxide cation lio+  
190 NaO- sodium oxide anion nao-  
191 NaO+ sodium oxide cation nao+  
192 KO Potassium monoxide ko  
193 KO+ Potassium monoxide cation ko+  
194 CuO Copper Monoxide cuo  
195 BeO- Beryllium monoxide anion beo-  
196 BeS beryllium sulfide bes  
197 MgO magnesium oxide mgo  
198 MgO- magnesium oxide anion mgo-  
199 MgO+ magnesium oxide cation mgo+  
200 MgS magnesium sulfide mgs  
201 MgS- magnesium sulfide anion mgs-  
202 MgS+ magnesium sulfide cation mgs+  
203 ZnO zinc monoxide zno  
204 ZnS Zinc sulfide zns  
205 BeS- Beryllium monosulfide anion bes-  
206 BeS+ Beryllium monosulfide cation bes+  
207 BO- boron monoxide anion bo-  
208 AlO Aluminum monoxide alo  
209 AlO- Aluminum monoxide anion alo-  
210 AlO+ aluminum monoxide cation alo+  
211 BS boron sulfide bs  
212 BS- boron monosulfide anion bs-  
213 BS+ boron monosulfide cation bs+  
214 AlS Aluminum sulfide als  
215 AlS- aluminum monosulfide anion als-  
216 AlS+ aluminum monosulfide cation als+  
217 BO+ boron monoxide cation bo+  
218 CS carbon monosulfide cs  
219 CS- carbon monosulfide anion cs-  
220 CS+ carbon monosulfide cation cs+  
221 SiO- silicon monoxide anion sio-  
222 SiO+ silicon monoxide cation sio+  
223 SiS- silicon monosulfide anion sis-  
224 SiS+ silicon monosulfide cation sis+  
225 CSe- Carbon monoselenide anion cse-  
226 CSe+ Carbon monoselenide cation cse+  
227 NS+ nitrogen sulfide cation ns+  
228 PO- phosphorus monoxide anion po-  
229 PO+ phosphorus monoxide cation po+  
230 PS- phosphorus monosulfide anion ps-  
231 PS+ phosphorus monosulfide cation ps+  
232 AsO Arsenic monoxide aso  
233 SO- sulfur monoxide anion so-  
234 S2- sulfur diatomic anion s2-  
235 S2+ sulfur diatomic cation s2+  
236 SeO- selenium monoxide anion seo-  
237 SeO+ selenium monoxide cation seo+  
238 SeS Selenium monosulfide ses  
239 SeS- selenium monosulfide anion ses-  
240 SeS+ selenium monosulfide cation ses+  
241 TeO Tellurium monoxide teo  
242 Se2- selenium diatomic anion se2-  
243 Se2+ selenium diatomic cation se2+  
244 Te2 Tellurium diatomic te2  
245 NaOH sodium hydroxide naoh  
246 KOH Potassium hydroxide koh  
247 MgOH magnesium hydroxide mgoh  
248 CaOH Calcium monohydroxide caoh  
249 HCS Thioformyl radical hcs  
250 HCS- Thioformyl anion hcs-  
251 HCS+ Thioformyl cation hcs+  
252 HNO- Nitrosyl hydride anion hno-  
253 HNS Sulfur imide hns  
254 HNS- Sulfur imide anion hns-  
255 HO2- Hydroperoxy anion ho2-  
256 CH3O Methoxy radical ch3o  
257 CH3S thiomethoxy ch3s  
258 H3O2+ hydrogen peroxide, protonated h3o2+  
259 CH3SeH Methane selenol ch3seh  
260 CH3OH2+ Methanol, protonated ch3oh2+  
261 H2ONH3 Water Ammonia Dimer h2onh3  
262 LiCl- lithium chloride anion licl-  
263 LiCl+ lithium chloride cation licl+  
264 NaF- sodium fluoride anion naf-  
265 KF Potassium Fluoride kf  
266 NaCl- sodium chloride anion nacl-  
267 NaCl+ sodium chloride cation nacl+  
268 KCl Potassium Chloride kcl  
269 CuF Copper monofluoride cuf  
270 LiBr- lithium bromide anion libr-  
271 LiBr+ lithium bromide cation libr+  
272 CuCl Copper monochloride cucl  
273 NaBr Sodium Bromide nabr  
274 NaBr- sodium bromide anion nabr-  
275 NaBr+ sodium bromide cation nabr+  
276 KBr Potassium Bromide kbr  
277 LiI Lithium Iodide lii  
278 NaI Sodium Iodide nai  
279 KI Potassium Iodide ki  
280 LiF- lithium fluoride anion lif-  
281 BeF Beryllium monofluoride bef  
282 BeF+ Beryllium monofluoride cation bef+  
283 BeCl beryllium monochloride becl  
284 MgF Magnesium monofluoride mgf  
285 MgF- magnesium fluoride anion mgf-  
286 CaF Calcium monofluoride caf  
287 MgCl magnesium monochloride mgcl  
288 MgCl- magnesium monochloride anion mgcl-  
289 MgCl+ magnesium monochloride cation mgcl+  
290 CaCl calcium monochloride cacl  
291 ZnF- Zinc monofluoride anion znf-  
292 ZnF+ Zinc monofluoride cation znf+  
293 ZnCl Zinc monochloride zncl  
294 BeCl- beryllium monochloride anion becl-  
295 BeCl+ beryllium monochloride cation becl+  
296 BF- Boron monofluoride anion bf-  
297 BF+ Boron monofluoride cation bf+  
298 AlF- Aluminum monofluoride anion alf-  
299 AlF+ Aluminum monofluoride cation alf+  
300 BCl boron monochloride bcl  
301 BCl- boron monochloride anion bcl-  
302 BCl+ boron monochloride cation bcl+  
303 AlCl- aluminum monochloride anion alcl-  
304 AlCl+ aluminum monochloride cation alcl+  
305 AlI Aluminum monoiodide ali  
306 CF- carbon monofluoride anion cf-  
307 CF+ carbon monofluoride cation cf+  
308 CCl carbon monochloride ccl  
309 CCl- carbon monochloride anion ccl-  
310 CCl+ carbon monochloride cation ccl+  
311 SiCl- silicon monochloride anion sicl-  
312 SiCl+ silicon monochloride cation sicl+  
313 NF nitrogen fluoride nf  
314 NF- nitrogen monofluorine anion nf-  
315 NF+ nitrogen monofluoirde cation nf+  
316 NCl- nitrogen monochloride anion ncl-  
317 NCl+ nitrogen monochloride cation ncl+  
318 PF phosphorus monofluoride pf  
319 PF- phosphorus monofluoride anion pf-  
320 PF+ phosphorus monofluoride cation pf+  
321 PCl phosphorus chloride pcl  
322 PCl- phosphorus monochloride anion pcl-  
323 PCl+ phosphorus monochloride cation pcl+  
324 SbF Antimony monofluoride sbf  
325 SbCl Antimony monochloride sbcl  
326 FO- flourine oxide anion fo-  
327 FO+ fluorine monoxide cation fo+  
328 ClO- chlorine monoxide anion clo-  
329 SF- sulfur monofluoride anion sf-  
330 SCl- sulfur monochloride anion scl-  
331 IO Iodine monoxide io  
332 ClF- clorine monofluoride anion clf-  
333 BrF- bromine fluoride anion brf-  
334 BrF+ bromine fluoride cation brf+  
335 BrCl- bromine chloride anion brcl-  
336 BrCl+ bromine chloride cation brcl+  
337 IF Iodine monofluoride if  
338 ICl Iodine monochloride icl  
339 IBr Iodine monobromide ibr  
340 I2 Iodine diatomic i2  
341 I2+ Iodine diatomic cation i2+  
342 CHBr bromomethylene chbr  
343 DOCl Hypochlorous acid-d docl  
344 HOI Hypoiodous acid hoi  
345 FHF Hydrogen difluoride fhf  
346 FHF- Hydrogen difluoride anion fhf-  
347 NH2F monofluoroamine nh2f  
348 H2F2 Hydrogen fluoride dimer h2f2  
349 CH3I methyl iodide ch3i  
350 SiH3I Silyl Iodide sih3i  
351 Ne2 Neon diatomic ne2  
352 C3+ carbon trimer cation c3+  
353 C3H3 Propargyl radical propargyl  
354 C3H3- Propargyl anion c3h3-  
355 C3H3+ cyclopropenyl cation cpr+  
356 C3H3+ Propargyl cation c3h3+  
357 C3H5+ Allyl cation allyl+  
358 Zn(CH3)2 dimethyl zinc dmz  
359 SiH2(CH3)2 dimethylsilane dms  
360 KCN Potassium cyanide kcn  
361 CuCN Copper cyanide cucn  
362 N3- azide anion n3-  
363 HCNN diazomethyl radical hcnn  
364 CH2N2 diazirine ch2n2  
365 CH2NN diazomethane ch2nn  
366 CH3CN+ Acetonitrile cation ch3cn+  
367 CH3NC methyl isocyanide ch3nc  
368 NHCHNH2 aminomethanimine cn2h4  
369 C2H5N Aziridine c2h5n  
370 CH2CHNH2 aminoethene aminoethene  
371 CH2NCH3 N-methylmethanimine nmm  
372 NH2BHNH2 diaminoborane nh2bhnh2  
373 CH3NHCH3 Dimethylamine ch3nhch3  
374 NH2CH2NH3+ diaminoethane, protonated pdam  
375 Li2O+ dilithium oxide cation li2o+  
376 CNO- fulminate cno-  
377 NCO- cyanate nco-  
378 SCN thiocyanato radical scn  
379 SCN- thiocyanide anion scn-  
380 BO2 Boron dioxide bo2  
381 BO2- Boron dioxide anion bo2-  
382 BO2+ Boron dioxide cation bo2+  
383 N2O+ Nitrous oxide cation n2o+  
384 CO2- Carbon dioxide anion co2-  
385 OCS+ Carbonyl sulfide cation cos+  
386 SiO2 silicon dioxide sio2  
387 CS2+ Carbon disulfide cation cs2+  
388 SCTe Carbon sulfide Telluride scte  
389 NO2- Nitrogen dioxide anion no2-  
390 PO2 Phosphorus dioxide po2  
391 PO2- Phosphorus dioxide anion po2-  
392 PO2+ Phosphorus dioxide cation po2+  
393 O3- Ozone anion o3-  
394 O3+ Ozone cation o3+  
395 SO2- Sulfur dioxide anion so2-  
396 SO2+ Sulfur dioxide cation so2+  
397 S3- Sulfur trimer anion s3-  
398 TeO2 Tellurium Dioxide teo2  
399 CS2H+ Carbon disulfide, protonated cs2h+  
400 HNCO Isocyanic acid hnco  
401 HOCN cyanic acid hocn  
402 HCO2- formate anion hco2-  
403 HNNO nitrosoazane hnno  
404 HOCO+ Hydrocarboxyl cation hoco+  
405 HNO2 Nitrous acid hno2  
406 HNO2+ nitrous acid cation hno2+  
407 CH2CO+ Ketene cation ch2co+  
408 HCCOH ethynol hccoh  
409 Mg(OH)2 Magnesium dihydroxide h2mgo2  
410 CH2O2 Dioxirane diox  
411 CH2CHO Vinyloxy radical ch2cho  
412 CH3CO Acetyl radical ch3co  
413 CH3CO- Acetyl anion ch3co-  
414 CH3CO+ acetyl cation ch3co+  
415 CH2OOH CH2OOH radical ch2ooh  
416 CH3OO methylperoxy radical ch3oo  
417 CH3OO- methylperoxy anion ch3oo-  
418 CH3OO+ methylperoxy cation ch3oo+  
419 CH2CHOH ethenol ch2choh  
420 NH3CHO+ Formamide, N-Protonated nh3cho+  
421 CH3OOH Methyl peroxide ch3ooh  
422 H2OH2CO water formaldehyde dimer h2oh2co  
423 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
424 CH3CH2O Ethoxy radical ethoxy  
425 CH3OCH2 methoxymethyl radical ch3och2  
426 CH3OHH2O methanol water dimer ch3ohh2o  
427 H2OCH3OH water methanol dimer h2och3oh  
428 ZnF2 Zinc difluoride znf2  
429 FCN Cyanogen fluoride fcn  
430 ClCN chlorocyanogen clcn  
431 ICN Cyanogen iodide icn  
432 MgCl2 Magnesium dichloride mgcl2  
433 ZnCl2 Zinc dichloride zncl2  
434 CaF2 Calcium difluoride caf2  
435 BrNO Nitrosyl bromide brno  
436 INO Nitrosyl iodide ino  
437 CF2- Difluoromethylene anion cf2-  
438 CF2+ Difluoromethylene cation cf2+  
439 CCl2 dichloromethylene ccl2  
440 CCl2- dichloromethylene anion ccl2-  
441 CCl2+ dichloromethylene cation ccl2+  
442 SiCl2 Dichlorosilylene sicl2  
443 FOO Dioxygen monofluoride radical foo  
444 ClOO chloroperoxy radical cloo  
445 ClOO+ chloroperoxy cation cloo+  
446 OClO+ Chlorine dioxide cation oclo+  
447 ClS2 Sulfur chloride cls2  
448 NF2 Difluoroamino radical nf2  
449 NF2+ Difluoroamino cation nf2+  
450 F2O Difluorine monoxide f2o  
451 SF2+ sulfur difluoride cation sf2+  
452 Cl2O Dichlorine monoxide cl2o  
453 BrOCl Bromine hypochlorite brocl  
454 BrOBr Bromine oxide brobr  
455 I3- triiodide i3-  
456 HCCF+ fluoroacetylene cation hccf+  
457 HFCO formyl fluoride hfco  
458 COHCl Formyl chloride cohcl  
459 COHBr Formyl bromide cohbr  
460 BHF2 Difluoroborane bhf2  
461 BHCl2 Borane, dichloro- bhcl2  
462 HOClO Chlorous acid hoclo  
463 CH2FCl fluorochloromethane ch2fcl  
464 CH2FI fluoroiodomethane ch2fi  
465 CH2ClI chloroiodomethane ch2cli  
466 CH2BrI bromoiodomethane ch2bri  
467 CH2I2 Diiodomethane ch2i2  
468 CH2CHF+ fluoroethene cation ch2chf+  
469 C2H3Cl Ethene, chloro- ch2chcl  
470 C2H3Br vinyl bromide c2h3br  
471 C2H3I Vinyl iodide c2h3i  
472 CH3OCl methyl hypochlorite ch3ocl  
473 C2H5F fluoroethane c2h5f  
474 CH3CH2Cl Ethyl chloride c2h5cl  
475 CH3SiFH2 fluoromethylsilane ch3sifh2  
476 C2H5I Ethyl iodide c2h5i  
477 XeF2 Xenon difluoride xef2  
478 C4+ Carbon tetramer cation c4+  
479 C2H3CCH 1-Buten-3-yne c2h3cch  
480 H2CCCCH2 Butatriene h2cccch2  
481 C4H6 Cyclobutene c822355  
482 C4H6 Methylenecyclopropane c6142730  
483 CH2CCHCH3 1,2-Butadiene butad12  
484 CH3CCCH3 2-Butyne c503173  
485 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
486 CH3CHCHCH3 2-Butene, (E)- bute2e  
487 CH3CHCHCH3 2-Butene, (Z)- bute2z  
488 B(CH3)3 trimethylborane bme3  
489 Al(CH3)3 trimethyl aluminum tma  
490 C(CH3)3 Tert-butyl radical tbutyl  
491 CH2CH(CH3)2 Isobutyl radical isobutyl  
492 CH3CHCH2CH3 2-Butyl radical butyl2  
493 CH3CH(CH3)CH3 Isobutane isobutane  
494 SiH(CH3)3 trimethylsilane trimsi  
495 C2N2+ Cyanogen cation c2n2+  
496 P4 Phosphorus tetramer p4  
497 HCCCN Cyanoacetylene hcccn  
498 C3H3N acrylonitrile ch2chcn  
499 CH5N3 Guanidine guanidine  
500 CH6N3+ guanidinium ch6n3+  
501 C3H7N Cyclopropylamine cpram  
502 C3H7N Azetidine azet  
503 C2H8N2 Ethylenediamine ethdiam  
504 CH3NHNHCH3 dimethyl hydrazine dmh  
505 CH3CH(NH2)CH3 2-Propanamine pram2  
506 N(CH3)3 Trimethylamine trimeam  
507 As(CH3)3 trimethyl arsine tmas  
508 Li2O2 dilithium dioxide li2o2  
509 K2O2 dipotassium dioxide k2o2  
510 B2O2 Diboron dioxide b2o2  
511 CO3-- carbonate co3--  
512 NO3 Nitrogen trioxide no3  
513 SO3- Sulfur trioxide anion so3-  
514 SO3+ Sulfur trioxide cation so3+  
515 TeO3 Tellurium trioxide teo3  
516 HCO3- bicarbonate anion hco3-  
517 HSO3 Hydroxysulfonyl radical hso3  
518 C2H2CO cyclopropenone c2h2co  
519 HCCCHO 2-propynal hcccho  
520 C2H2O2+ Ethanedial cation c2h2o2+  
521 H2CO3 Carbonic acid h2co3  
522 H2CS3 thiocarbonic acid h2cs3  
523 H2NO3+ Nitric Acid, Protonated h2no3+  
524 CH3COO- acetate anion ch3coo-  
525 CH3ONO Methyl nitrite ch3ono  
526 H3BO3 Boric acid h3bo3  
527 H3CO3+ carbonic acid, protonated h3co3+  
528 C3H4O 2-Propyn-1-ol c107197  
529 C3H4O allenol c9000071  
530 C3H4O Cyclopropanone cpone  
531 C3H4O Methylketene c6004440  
532 NH2CONH2+ Urea cation urea+  
533 NH2CSNH2 Thiourea thiourea  
534 C2H4O2 1,3-dioxetane c2h4o2  
535 CH3COOH Acetic acid ch3cooh  
536 CH3OCHO methyl formate ch3ocho  
537 CHOCH2OH hydroxy acetaldehyde haa  
538 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
539 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
540 HCOOHH2O Formic acid water dimer hcoohh2o  
541 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
542 CH3CONH2 Acetamide acetamide  
543 C2H5OO ethylperoxy radical c2h5oo  
544 C3H6O Propylene oxide prox  
545 C3H6S Thietane thietane  
546 C3H6S Thiirane, methyl- methiirane  
547 C2H6O2 1,2-Ethanediol ethdiol  
548 CH3OOCH3 dimethylperoxide dmp  
549 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
550 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
551 CH3COHCH3+ acetone, protonated acetoneh+  
552 CH3CHOHCH3 Isopropyl alcohol isoproh  
553 C3H7SH 1-Propanethiol prsh  
554 CH3CHSHCH3 2-Propanethiol isoprsh  
555 CH3SCH2CH3 Ethane, (methylthio)- etsme  
556 H2OCH3OCH3 water dimethylether dimer h2och3och3  
557 Na2F2 Sodium Fluoride Dimer na2f2  
558 Na2Cl2 Disodium dichloride na2cl2  
559 C2F2 difluoroacetylene c2f2  
560 C2Cl2 dichloroacetylene c2cl2  
561 C2Cl2+ dichloroacetylene cation c2cl2+  
562 ClNO2 Nitryl chloride clno2  
563 BrONO Bromine nitrite brono  
564 N2F2 (Z)-Difluorodiazene n2f2_z  
565 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
566 COFCl Carbonic chloride fluoride cofcl  
567 CCl2O Phosgene cl2co  
568 COBr2 Carbonic dibromide cobr2  
569 BF3- Borane, trifluoro- anion bf3-  
570 AlF2Cl Aluminum chloride difluoride alclf2  
571 AlFCl2 Aluminum dichloride fluoride alcl2f  
572 AlCl3 Aluminum trichloride alcl3  
573 AlBr3 Aluminum Bromide albr3  
574 ClO3 Chlorine trioxide clo3  
575 ClO3- chlorate anion clo3-  
576 BrO3- Bromate anion bro3-  
577 CF3 Trifluoromethyl radical cf3  
578 CCl3 Trichloromethyl radical ccl3  
579 CCl3- Trichloromethyl anion ccl3-  
580 CCl3+ Trichloromethyl cation ccl3+  
581 SiCl3 trichlorosilyl radical sicl3  
582 SiCl3+ trichlorosilyl cation sicl3+  
583 FOOF Perfluoroperoxide foof  
584 FSSF Difluorodisulfane fssf  
585 S2F2 Thio-thionyl fluoride s2f2  
586 SOCl2 thionyl chloride socl2  
587 SeOCl2 selenium oxychloride seocl2  
588 NF3- Nitrogen trifluoride anion nf3-  
589 NF3+ Nitrogen trifluoride cation nf3+  
590 PF3 Phosphorus trifluoride pf3  
591 AsF3 Arsenic trifluoride asf3  
592 PCl3 Phosphorus trichloride pcl3  
593 SbF3 Antimony Trifluoride sbf3  
594 SbCl3 Antimony Trichloride sbcl3  
595 AsBr3 Arsenic tribromide asbr3  
596 NI3 Nitrogen triiodide ni3  
597 PI3 Phosphorus triiodide pi3  
598 ClSSCl Disulfur dichloride s2cl2  
599 BrF3 Bromine trifluoride brf3  
600 IF3 iodone trifluoride if3  
601 CHF2Cl difluorochloromethane chf2cl  
602 CHFCl2 fluorodichloromethane chfcl2  
603 SiHCl3 Trichlorosilane sihcl3  
604 CHF2I difluoroiodomethane chf2i  
605 CHFClI fluorochloroiodomethane chfcli  
606 CHCl2I dichloroiodomethane chcl2i  
607 CHClBr2 Methane, dibromochloro- chclbr2  
608 CHBr3 bromoform chbr3  
609 CHI3 Iodoform chi3  
610 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
611 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
612 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
613 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
614 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
615 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
616 C2H2Br2 1,1-dibromoethene c2h2br2  
617 CH2FCHO Fluoroacetaldehyde ch2fcho  
618 CH3COF Acetyl fluoride ch3cof  
619 CH2ClCHO chloroacetaldehyde ch2clcho  
620 CH3COCl Acetyl Chloride ch3cocl  
621 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
622 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
623 CH2CFCH3 2-fluoropropene 2fpro  
624 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
625 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
626 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
627 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
628 CH3CH2CH2Br n-propyl bromide prbr  
629 CH3CHBrCH3 i-propyl bromide iprbr  
630 C3H9O+ trimethyl oxonium cation c3h9o+  
631 C5H5- cylopentadienyl anion c5h5-  
632 C5H6 1,3-Cyclopentadiene c542927  
633 C5H6 1-Buten-3-yne, 2-methyl- c78808  
634 C5H6 3-Penten-1-yne, (E)- c2004695  
635 C5H6 3-Penten-1-yne, (Z)- c1574409  
636 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
637 C5H6 Cyclopropylacetylene c6746947  
638 C5H7 1,3-pentadienyl radical pdyl  
639 C5H7 cyclopentenyl radical cpyl  
640 C5H8 1,2-Butadiene, 3-methyl- c598254  
641 C5H8 1,2-Pentadiene c591957  
642 C5H8 1,3-Butadiene, 2-methyl- c78795  
643 C5H8 1,3-Pentadiene, (E)- c2004708  
644 C5H8 1,3-Pentadiene, (Z)- c1574410  
645 C5H8 1,4-Pentadiene c591935  
646 C5H8 1-pentyne a1pentyne  
647 C5H8 2,3-Pentadiene c591968  
648 C5H8 Cyclobutane, methylene- c1120565  
649 C5H8 Cyclopentene c142290  
650 CH3CCCH2CH3 2-Pentyne 2pentyne  
651 C5H10 1-Butene, 2-methyl- c563462  
652 C5H10 2-Butene, 2-methyl- c513359  
653 C5H10 2-Pentene, (E)- c646048  
654 C5H10 2-Pentene, (Z)- c627203  
655 C5H10 Cyclopentane c287923  
656 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
657 CH2CHCH2CH2CH3 1-pentene pentene  
658 C5H11 2-Methylbut-2-yl radical c4348350  
659 C5H12 Butane, 2-methyl- buta2  
660 C5H12 Pentane pentane  
661 C5H12 Propane, 2,2-dimethyl- neopentane  
662 Si(CH3)4 tetramethylsilane tms  
663 N2O3 Dinitrogen trioxide n2o3  
664 C3H2N2 Malononitrile c3h2n2  
665 C2H3N3 1H-1,2,4-Triazole c288880  
666 C3H4N2 1H-Pyrazole 1hpyraz  
667 C4H5N (E)-2-Butenenitrile c627269  
668 C4H5N (Z)-2-Butenenitrile c1190767  
669 C4H5N 2H-pyrrole pyrrole2  
670 C4H5N 3H-pyrrole pyrrole3  
671 C4H5N Cyclopropanecarbonitrile c5500210  
672 CH2CHCH2CN Allylcyanide ch2chch2cn  
673 C3H6N2 3-Aminopropionitrile c151188  
674 C5H8 Bicyclo[2.1.0]pentane c185944  
675 C5H8 Spiropentane c157404  
676 C4H9N Cyclobutylamine cbam  
677 C4H9N Pyrrolidine pyrrolidine  
678 C3H10N2 1,2-Diaminopropane diampr12  
679 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
680 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
681 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
682 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
683 C3O2+ Carbon suboxide cation c3o2+  
684 CaCO3 Calcium Carbonate caco3  
685 PO4--- phosphate po4---  
686 SO4-- sulfate so4--  
687 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
688 CHOCOOH oxo acetic acid oaa  
689 H2SO4 Sulfuric acid h2so4  
690 CH3C(O)OO acetyl peroxy radical ch3coo2  
691 CH3NO3 Methyl nitrate ch3no3  
692 H3PO4 Phosphoric Acid h3po4  
693 C4H4O+ Furan cation furan+  
694 C4H4S Thiophene furans  
695 C3H4O2 β–Propiolactone beta  
696 C3H4O2 2-Propenoic acid propenoic2  
697 C3H4O2 propanedial propanedial  
698 C3H4O2 propenalol propenalol  
699 C2H4O3 trioxolane124 triox  
700 HOCH2COOH Hydroxyacetic acid hac  
701 CH2CHCONH2 Acrylamide c79061  
702 CH5N3S Hydrazinecarbothioamide c79196  
703 H2NCH2COOH Glycine glycine  
704 C4H6O cis-2-butenal butenal2c  
705 C4H6O Cyclobutanone cbutone  
706 C4H6O Furan, 2,3-dihydro- furan23h  
707 C4H6O Furan, 2,5-dihydro- furan25h  
708 CHOCHCHCH3 2-Butenal butenal2  
709 C4H6S Thiophene, 2,3-dihydro- thiop23h  
710 C4H6S Thiophene, 2,5-dihydro- thiop25h  
711 C2H6N2O Urea, methyl- c598505  
712 C3H6O2 1,3-Dioxolane dioxolane  
713 CH3COOCH3 methyl acetate aame  
714 CH3SSSCH3 dimethyl trisulfide c2h6s3  
715 C3H7NO dimethylformamide dmf  
716 C3H7NO Propanamide propanam  
717 C2H3OC2H5 Ethene, ethoxy- c109922  
718 C4H8O Cyclobutanol c2919235  
719 C4H8O Furan, tetrahydro- thf  
720 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
721 CH3COCH2CH3 2-Butanone buta2one  
722 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
723 CHOCH2CH2CH3 Butanal butanal  
724 C3H8O2 1,3-Propanediol c504632  
725 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
726 C3H8O2 Methane, dimethoxy- c109875  
727 C3H8O2 Propylene glycol c57556  
728 C3H8S2 1,3-Propanedithiol c109808  
729 C4H10O 1-Propanol, 2-methyl- c78831  
730 C4H10O 2-Butanol, (.+/-.)- butanol2  
731 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
732 C4H10O Propane, 2-methoxy- c598538  
733 C4H10O+ 1-Butanol cation butanol1+  
734 C2H5SC2H5 Diethyl sulfide etset  
735 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
736 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
737 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
738 FNO3 Fluorine nitrate fno3  
739 ClONO2 Chlorine nitrate clono2  
740 TiCl4 Titanium tetrachloride ticl4  
741 ClO4- perchlorate anion clo4-  
742 BF4- tetrafluoroboron anion bf4-  
743 ClFO3 Perchloryl fluoride clfo3  
744 SO2F2 Sulfuryl fluoride so2f2  
745 SO2Cl2 Sulfuryl chloride so2cl2  
746 F3NO Nitrogen trifluoride oxide f3no  
747 F3PO Phosphoryl fluoride pf3o  
748 Cl3PO Phosphoryl chloride pcl3o  
749 CF4 Carbon tetrafluoride cf4  
750 SiF4 Silicon tetrafluoride sif4  
751 CFCl3 Trichloromonofluoromethane cfcl3  
752 CCl4+ Carbon tetrachloride cation ccl4+  
753 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
754 SiCl4 Silane, tetrachloro- sicl4  
755 CF3I trifluoroiodomethane cf3i  
756 CBrCl3 Methane, bromotrichloro- cbrcl3  
757 CBr2F2 Methane, dibromodifluoro- cbr2f2  
758 GeCl4 Germanium Tetrachloride gecl4  
759 CCl3I trichloroiodomethane ccl3i  
760 CFClBrI fluorochlorobromoiodomethane cfclbri  
761 CF2I2 difluorodiiodomethane cf2i2  
762 CCl2I2 dichlorodiiodomethane ccl2i2  
763 CBr3I tribromoiododmethane cbr3i  
764 CI4 tetraiodomethane ci4  
765 SiI4 silicon tetraiodide sii4  
766 C2HF3 Trifluoroethylene c2hf3  
767 C2HF3+ Trifluoroethylene cation c2hf3+  
768 CHClCCl2 Trichloroethylene chclccl2  
769 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
770 HClO4 perchloric acid hclo4  
771 HSO3F Fluorosulfonic acid hso3f  
772 CHClCCHCl 1,3-dichloroallene chclcchcl  
773 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
774 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
775 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
776 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
777 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
778 NH3BCl3 Amminetrichloroboron nh3bcl3  
779 C3H5ClO Oxirane, (chloromethyl)- c106898  
780 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
781 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
782 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
783 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
784 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
785 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
786 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
787 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
788 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
789 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
790 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
791 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
792 C4H9F 1-fluorobutane butaf1  
793 CH3CHFCH2CH3 2-fluorobutane butaf2  
794 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
795 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
796 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
797 XeF4 Xenon tetrafluoride xef4  
798 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
799 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
800 C6H4 Benzyne benzyne  
801 C6H5 phenyl phenyl  
802 C6H6 2,4-Hexadiyne hexadiyne  
803 C6H6 3,4-Dimethylenecyclobutene cb34m  
804 C6H6+ Benzene cation c6h6+  
805 C6H8 (E)-hexa-1,3,5-triene c821078  
806 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
807 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
808 C6H8 1,3-Cyclohexadiene cyhexadiene13  
809 C6H8 1,4-Cyclohexadiene cyhexadiene14  
810 C6H8 3-Methylenecyclopentene c930267  
811 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
812 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
813 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
814 C6H10 1,3-Hexadiene, (E)- hexdi13e  
815 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
816 C6H10 1,4-Hexadiene, (E)- hexdi14t  
817 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
818 C6H10 1-Butyne, 3,3-dimethyl- c917920  
819 C6H10 1-Hexyne hexyne1  
820 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
821 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
822 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
823 C6H10 2-Hexyne c764352  
824 C6H10 cyclohexene cyclohexene  
825 C6H10 Cyclopentene, 1-methyl- c693890  
826 C6H10 Cyclopentene, 3-methyl- c1120623  
827 C6H10 Cyclopentene, 4-methyl- c1759815  
828 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
829 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
830 C6H12 (E)-2-Hexene e2hexene  
831 C6H12 (E)-3-methylpent-2-ene c616126  
832 C6H12 (Z)-3-methylpent-2-ene c922623  
833 C6H12 (Z)-hex-2-ene z2hexene  
834 C6H12 2,3-dimethyl-but-2-ene tmeet  
835 C6H12 3-methylenepentane c760214  
836 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
837 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
838 C6H12 Cyclohexane cyclohexane  
839 C6H12 Cyclopentane, methyl- c96377  
840 C6H12 Ethylcyclobutane c4806615  
841 C6H14 Butane, 2,2-dimethyl- buta22  
842 C6H14 Butane, 2,3-dimethyl- buta23  
843 C6H14 Hexane hexane  
844 C6H14 Pentane, 2-methyl- penta2  
845 C6H14 Pentane, 3-methyl- penta3  
846 C4N2 2-Butynedinitrile c4n2  
847 C2H2N4 sym-tetrazine ttz  
848 C3H3N3 1,3,5-Triazine triazine135  
849 CH3N5 5-Aminotetrazole c4418615  
850 C4H4N2 1,3-Diazine diazine13  
851 C4H4N2 Pyrazine pyrazine  
852 C4H4N2 Pyridazine pyridazine  
853 C4H4N2 Succinonitrile c110612  
854 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
855 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
856 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
857 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
858 C5H5N E-2,4-pentadienenitrile bdcn  
859 C5H5N Pyridine pyridine  
860 B3N3H6 borazine borazine  
861 C6H6 Fulvene fulvene  
862 C4H6N2 1H-Imidazole, 2-methyl- c693981  
863 C5H7N (E)-2-Pentenenitrile c26294984  
864 C5H7N (E)-3-Pentenenitrile c16529661  
865 C5H7N (Z)-2-Pentenenitrile c25899507  
866 C5H7N 1H-Pyrrole, 1-methyl- c96548  
867 C5H7N Cyclobutanecarbonitrile c4426113  
868 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
869 C5H9N Butanenitrile, 2-methyl- c18936179  
870 C5H9N Pentanenitrile c110598  
871 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
872 C6H10 Bicyclo[3.1.0]hexane c285585  
873 C5H11N Cyclopentanamine cypentam  
874 C5H11N Piperidine piper  
875 C4H12N2 1,2-Butanediamine c4426486  
876 C4H12N2 2-Methyl-1,2-propanediamine c811938  
877 Li2CO3 Lithium Carbonate li2co3  
878 C2O4-- oxalate anion c2o4  
879 C2H3NO3 Oxamic acid oxamic  
880 C4H4O2 2(5H)-Furanone furanone  
881 C4H4O2 2-Oxetanone, 4-methylene- c674828  
882 C2H4N2O2 Oxalamide oxalamide  
883 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
884 C3H4S3 1,3-Dithiolane-2-thione c822388  
885 C4H5NO 3-Methylisoxazole isox3m  
886 C4H5NO Isoxazole, 5-methyl- c5765446  
887 C4H5NS 4-Methylthiazole c693958  
888 C5H6O 2-methylfuran furan2m  
889 C5H6O 3-Methylfuran furan3m  
890 C5H6S Thiophene, 2-methyl- c554143  
891 C5H6S Thiophene, 3-methyl- c616444  
892 C4H6O2 2,3-Butanedione c431038  
893 C4H6O2 2-Propenoic acid, methyl ester c96333  
894 C4H6O2 Crotonic Acid crot  
895 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
896 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
897 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
898 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
899 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
900 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
901 C4H6OS Vinyl sulfoxide c1115157  
902 CH6N4S Carbonothioic dihydrazide thiacarb  
903 C2H6N2O2 (E)-Azodioxymethane c37765154  
904 C2H6N2O2 Dimethylnitroamine c4164287  
905 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
906 C2H6O3S Sulfurous acid, dimethyl ester c616422  
907 C4H7NO 2-Pyrrolidinone c616455  
908 C4H7NO Methacrylamide c79390  
909 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
910 HCONH2CN2H4 formamide aminomethanimine dimer d13  
911 C3H7ONO Propyl nitrite prono  
912 CH3CH(CH3)ONO Isopropyl nitrite c541424  
913 CH3CH(NH2)COOH Alanine alanine  
914 CH3NHCH2COOH Sarcosine sarcosine  
915 NH2CH2CH2COOH β–alanine betaalanine  
916 NH2COOC2H5 Urethane urethane  
917 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
918 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
919 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
920 NH2CONHC2H5 Urea, ethyl- c625525  
921 C4H8O2 1,3-Dioxane dioxan13  
922 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
923 C4H8O2 1,4-Dioxane dioxan14  
924 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
925 C4H8OS s-Ethyl thioacetate c625605  
926 C3H8O3 1,2,3-Propanetriol glycerin  
927 C3H8O2S (Methylsulfonyl)ethane c594434  
928 C4H9NO Butanamide c541355  
929 C4H9NO Propanamide, 2-methyl- c563837  
930 C5H10O 2-Butanone, 3-methyl- c563804  
931 C5H10O 2H-Pyran, tetrahydro- c142687  
932 C5H10O 2-Pentanone mpk  
933 C5H10O Cyclopentanol c96413  
934 C5H10O Oxetane, 3,3-dimethyl- c6921353  
935 C5H10O Pentanal pal  
936 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
937 C5H10S 3-Ethylthio-1-propene c5296628  
938 C5H10S Cyclopentanethiol c1679078  
939 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
940 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
941 C4H10O2 1,1-Dimethoxyethane c534156  
942 C4H10O2 1,3-Butanediol budiol13  
943 C4H10O2 1,4-Butanediol budiol14  
944 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
945 C4H10OS Diethyl sulfoxide c70291  
946 C4H10S2 1,4-Butanedithiol budisl14  
947 C4H11NO Diethylhydroxylamine c3710847  
948 C5H12O 1-Butanol, 2-methyl- c137326  
949 C5H12O 1-Butanol, 3-methyl- c123513  
950 C5H12O 1-Pentanol pentanol1  
951 C5H12O 2-Butanol, 3-methyl- c598754  
952 C5H12O 2-Pentanol peol2  
953 C5H12O 3-Pentanol pentan3ol  
954 C5H12O Butane, 1-methoxy- meobu  
955 C5H12O Propane, 1-ethoxy- proet  
956 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
957 C5H12S 1-Butanethiol, 2-methyl- c1878188  
958 C5H12S 1-Butanethiol, 3-methyl- c541311  
959 C5H12S 1-Pentanethiol c110667  
960 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
961 C5H12S 2-Butanethiol, 2-methyl- c1679090  
962 C5H12S 2-Butanethiol, 3-methyl- c2084186  
963 C5H12S Butane, 1-(methylthio)- c628295  
964 C5H12S Ethyl propyl sulfide c4110503  
965 C5H12S Propane, 2-(ethylthio)- c5145993  
966 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
967 CF3CN Acetonitrile, trifluoro- cf3cn  
968 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
969 B2F4 Diboron tetrafluoride b2f4  
970 C2F4 Tetrafluoroethylene c2f4  
971 C2F4+ Tetrafluoroethylene cation c2f4+  
972 C2FCl3 fluorotrichloroethene c2fcl3  
973 C2Cl4 Tetrachloroethylene c2cl4  
974 AsF5 Arsenic pentafluoride asf5  
975 PCl5 Phosphorus pentachloride pcl5  
976 SbCl5 Antimony pentachloride sbcl5  
977 BrF5 bromine pentafluoride brf5  
978 ClF5 chlorinepentafluoride clf5  
979 IF5 pentafluoroiodine if5  
980 CF3CHO trifluoroacetaldehyde cf3cho  
981 CCl3CHO trichloroacetaldehyde ccl3cho  
982 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
983 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
984 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
985 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
986 C4H8Cl2 1,4-Dichlorobutane c110565  
987 C4H8Cl2 Butane, 1,2-dichloro- c616217  
988 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
989 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
990 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
991 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
992 C5H11Cl Pentane, 1-chloro- pencl1  
993 C6H5CH2 benzyl radical benzyl  
994 C6H5CH3 toluene toluene  
995 C7H8 cycloheptatriene cht  
996 C7H8 Norbornadiene norbor  
997 C7H8 Quadricyclane qucy  
998 C7H12 Norbornane nor  
999 C7H16 2-methylhexane 2mhex  
1000 C7H16 3-methylhexane hex3m  
1001 C7H16 heptane heptane  
1002 C6H7N 2-Methylpyridine mp  
1003 C6H5NH2 aniline aniline  
1004 C6H13N 2-Methylpiperidine pip2m  
1005 C6H13N cyclohexanamine cham  
1006 N2O5 Dinitrogen pentoxide n2o5  
1007 C4H2O3 Maleic Anhydride malan  
1008 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1009 C6H5O phenoxy radical phenoxy  
1010 C5H5NO 2(1H)-Pyridinone c72762006  
1011 C5H5NO 2(3H)-Pyridinone c9000048  
1012 C5H5NO 2(5H)-Pyridinone c9000037  
1013 C5H5NO 2-Pyridinol c109104  
1014 C5H5NO 3(2H)-Pyridinone c9000004  
1015 C5H5NO 3(4H)-Pyridinone c9000026  
1016 C5H5NO 3(6H)-Pyridinone c9000015  
1017 C5H5NO 3-Pyridinol c109002  
1018 C5H5NO 4(1H)-Pryidinone c9000060  
1019 C5H5NO 4(3H)-Pryidinone c9000059  
1020 C5H5NO 4-Pyridinol c626642  
1021 C6H5OH phenol phenol  
1022 C6H6O 2,4-Cyclohexadienone c24599573  
1023 C6H5SH Benzenethiol phsh  
1024 C4H8O2S Sulfolane sulfolane  
1025 CH(C2H3)3 trivinyl methane tvm  
1026 C6H10O cyclohexanone chexo  
1027 C6H12O hexanal c6h12o  
1028 CF3COCl trifluoroacetyl chloride cf3cocl  
1029 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1030 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1031 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1032 CCl3CHCl2 pentachloroethane ccl3chcl2  
1033 C6H5F Fluorobenzene bzf  
1034 C6H5Cl chlorobenzene bzcl  
1035 C6H5Br bromobenzene bzbr  
1036 C6H5CCH phenylacetylene phac  
1037 C6H5CHCH2 Styrene styrene  
1038 C8H8 cyclooctatetraene cot  
1039 C6H5CH2CH3 Ethylbenzene etbz  
1040 CH3C6H4CH3 meta-xylene mxylene  
1041 CH3C6H4CH3 paraxylene pxylene  
1042 C8H18 Octane c8h18  
1043 C6H5CN phenyl cyanide phcn  
1044 C6H12N2 Triethylenediamine ted  
1045 C4O4-- squarate dianion c4o4--  
1046 S8 Octasulfur s8  
1047 C6H4O2 parabenzoquinone pbq  
1048 C4H4N2O2 Uracil uracil  
1049 C6H5OCH3 Anisole anisole  
1050 C6H12O2 Methyl pivalate c598981  
1051 C6H12O2 Hexanoic acid hexa  
1052 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1053 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1054 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1055 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1056 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1057 C2F6 hexafluoroethane c2f6  
1058 IF7 Iodine heptafluoride if7  
1059 C6H4F2 metadifluorobenzene mdfb  
1060 C6H4F2 orthodifluorobenzene odfb  
1061 C5H4N4 purine purine  
1062 C8H7N Indole indole  
1063 C6H5NO2 Nitrobenzene c6h5no2  
1064 C6H5COOH benzoic acid benzo  
1065 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1066 C10H16 adamantane adamantane  
1067 C6N4 Tetracyanoethylene tcne  
1068 C4F6 perfluorobutadiene c4f6  
1069 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1070 C3F8 perfluoropropane c3f8  
1071 Fe(CO)5 Iron pentacarbonyl ipc  
1072 Fe(C5H5)2 ferrocene fecp2  
1073 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1074 C12H8 Acenaphthylene acenaph  
1075 C12H10 biphenyl biphenyl  
1076 C6F6 hexafluorobenzene c6f6  
1077 C14H10 Anthracene anth  
1078 C14H10 Phenanthrene phenanthrene  
1079 C16H10 Pyrene pyrene  
1080 C18H12 Tetracene tetracene