return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at MP2 /aug-cc-pVQZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
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 He Helium atom 1SKh
9 He Helium atom   
10 He+ Helium atom cation 2SKh
11 HeH+ Helium hydride cation 1ΣC∞v
12 He2+ helium diatomic cation 2ΣuD∞h
13 Li Lithium atom 2SKh
14 Li- Lithium atom anion 1SKh
15 Li+ Lithium atom cation 1SKh
16 Na Sodium atom 2SKh
17 Na- Sodium atom anion 1SKh
18 Na+ Sodium atom cation 1SKh
19 LiH Lithium Hydride 1ΣC∞v
20 LiH- lithium hydride anion 2ΣC∞v
21 LiH+ lithium hydride cation 2ΣC∞v
22 NaH sodium hydride 1ΣC∞v
23 NaH+ sodium hydride cation 2ΣC∞v
24 Be Beryllium atom 1SKh
25 Be- Beryllium atom anion 2PKh
26 Be+ Beryllium atom cation 2SKh
27 Mg Magnesium atom 1SKh
28 Mg- Magnesium atom anion 2PKh
29 Mg+ Magnesium atom cation 2SKh
30 BeH beryllium monohydride 2ΣC∞v
31 BeH- berylium monohydride anion 1ΣC∞v
32 BeH+ beryllium monohydride cation 1ΣC∞v
33 MgH magnesium monohydride 2ΣC∞v
34 MgH- magnesium monohydride anion 1ΣC∞v
35 MgH+ magnesium monohydride cation 1ΣC∞v
36 TiH Titanium monohydride 4ΦC∞v
37 ZnH+ Zinc, protonated   
38 BeH2 beryllium dihydride 1ΣgD∞h
39 BeH2+ Beryllium dihydride cation 2ΣC∞v
40 BeH2+ Beryllium dihydride cation 2ΣuD∞h
41 BeH2+ Beryllium dihydride cation   
42 MgH2 magnesium dihydride 1ΣgD∞h
43 B Boron atom 2PKh
44 B Boron atom 4PKh
45 B- Boron atom anion 3PKh
46 B+ Boron atom cation 1SKh
47 Al Aluminum atom 2PKh
48 Al- Aluminum atom anion 3PKh
49 Al+ Aluminum atom cation 1SKh
50 Sc Scandium atom 2DKh
51 Sc+ Scandium cation 3DKh
52 Ga Gallium atom 2P 
53 Ga- Gallium atom anion 3POh
54 Ga+ Gallium atom cation 1S 
55 BH Boron monohydride 1ΣC∞v
56 BH Boron monohydride 3ΠC∞v
57 BH- boron monohydride anion 2ΠC∞v
58 BH- boron monohydride anion 4ΣC∞v
59 BH+ boron monohydride cation 2ΣC∞v
60 AlH aluminum monohydride 1ΣC∞v
61 AlH- aluminum monohydride anion 2ΠC∞v
62 AlH+ aluminum monohydride cation 2ΣC∞v
63 ScH Scandium monohydride 1ΣC∞v
64 GaH Gallium monohydride 1ΣC∞v
65 GaH+ Gallium monohydride cation 2ΣC∞v
66 BH2- boron dihydride anion 3B1C2v
67 BH2- boron dihydride anion 1A1C2v
68 BH2+ Boron dihydride cation 1ΣgD∞h
69 BH3 boron trihydride 1A1'D3h
70 BH3- boron trihydride anion 2A2"D3h
71 BH3+ boron trihydride cation 2B2C2v
72 BH3+ boron trihydride cation  C2v
73 AlH3 aluminum trihydride 1A1'D3h
74 AlH3- aluminum trihydride anion  C3v
75 AlH3+ aluminum trihydride cation 2A1C2v
76 ScH3 Scandium trihydride 1A1'D3h
77 ScH3 Scandium trihydride 1A1C3v
78 GaH3 Gallium trihydride 1A1'D3h
79 BH4 borohydride 2B2C2v
80 BH4- borohydride anion 1A1Td
81 C Carbon atom 3P0Kh
82 C Carbon atom 3P1Kh
83 C- Carbon atom anion 4SKh
84 C- Carbon atom anion 2DKh
85 C+ Carbon atom cation 2PKh
86 Si Silicon atom 3PKh
87 Si Silicon atom 1SKh
88 Si- Silicon atom anion 4SKh
89 Si+ Silicon atom cation 2PKh
90 Ge Germanium atom 3PKh
91 Ge- Germanium anion 4SKh
92 Ge+ Germanium cation 2PKh
93 CH Methylidyne 2Π1/2C∞v
94 CH Methylidyne 4Σ-C∞v
95 CH- methylidyne anion 3ΣC∞v
96 CH+ Methylidyne cation 1ΣC∞v
97 SiH Silylidyne 2ΠC∞v
98 SiH- silicon monohydride anion 3ΣC∞v
99 SiH+ silicon monohydride cation 1ΣC∞v
100 GeH germylidene 2ΠC∞v
101 GeH+ Germaniun monohyrdide cation 1ΣC∞v
102 CH2 Methylene 3B1C2v
103 CH2 Methylene 3ΣGD∞h
104 CH2 Methylene 1A1C2v
105 CH2- methylene anion 2B1C2v
106 CH2+ methylene cation 2A1C2v
107 CH2+ methylene cation 2ΠD∞h
108 SiH2 silicon dihydride 3B1C2v
109 GeH2 germylene 1A1C2v
110 GeH2- germylene anion 2B1C2v
111 CH3 Methyl radical 2A1D3h
112 CH3- methyl anion 1A1C3v
113 CH3+ methyl cation 1A1'D3h
114 SiH3 Silyl radical 2A1C3v
115 SiH3+ Silyl cation 1A1'D3h
116 GeH3 Germyl radical 2A1C3v
117 GeH3+ germyl cation 1A1'D3h
118 CD4 methane-d4 1A1Td
119 CH2D2 methane-d2 1A1C2v
120 CH3D methane-d 1A1C3v
121 CH4 Methane 1A1Td
122 CH4+ Methane cation 2B1C2v
123 CH4+ Methane cation 2T2Td
124 CH4+ Methane cation 2B2D2d
125 CHD3 methane-d3 1A1C3v
126 SiH2D2 silane-d2   
127 SiH4 Silane 1A1Td
128 GeH4 Germane 1A1Td
129 SiH5+ Silane, protonated   
130 N Nitrogen atom 4SKh
131 N Nitrogen atom 2DKh
132 N- Nitrogen atom anion 3SKh
133 N+ Nitrogen atom cation 3PKh
134 P Phosphorus atom 4SKh
135 P- Phosphorus atom anion 3PKh
136 P+ Phosphorus atom cation 3PKh
137 V Vanadium atom 4FKh
138 V+ Vanadium atom cation 5DKh
139 As Arsenic atomic 4SKh
140 As- Arsenic anion 3PKh
141 As+ Arsenic cation 3PKh
142 NH Imidogen 3Σ-C∞v
143 NH- Imidogen anion 2ΠC∞v
144 NH+ imidogen cation 2ΠC∞v
145 PH phosphorus monohydride 3Σ-C∞v
146 PH phosphorus monohydride 1ΔC∞v
147 PH- phosphorus monohydride anion 2ΠC∞v
148 PH+ phosphorus monohydride cation 2ΠC∞v
149 AsH Arsenic monohydride 3ΣC∞v
150 AsH Arsenic monohydride 1ΣC∞v
151 AsH+ Arsenic monohydride cation 2ΠC∞v
152 NH2 Amino radical 2B1C2v
153 NH2- amino anion 1A1C2v
154 NH2+ Amino cation 3B1C2v
155 NH2+ Amino cation 1A1C2v
156 AsH2 Arsenic dihydride 2A1C2v
157 AsH2+ Arsenic dihydride cation 1A1C2v
158 NH3 Ammonia 1A1C3v
159 NH3- Ammonia anion 2A1C3v
160 NH3+ ammonia cation 2A2"D3h
161 PH3 Phosphine 1A1C3v
162 PH3+ Phosphine cation 2A1C3v
163 AsH3 Arsine 1A1C3v
164 AsH3+ Arsine cation 2A1C3v
165 AsH4+ Arsonium   
166 NH4 Ammonium radical   
167 NH4+ ammonium cation 1A1Td
168 PH4 Phosphoranyl radical   
169 PH4+ phosphonium cation   
170 O Oxygen atom 3SKh
171 O- Oxygen atom anion 2PKh
172 O+ Oxygen atom cation 4SKh
173 S Sulfur atom 3PKh
174 S Sulfur atom   
175 S- Sulfur atom anion 2PKh
176 S+ Sulfur atom cation 4SKh
177 Se Selenium atom 3PKh
178 Se- Selenium atom anion 2PKh
179 Se+ Selenium atom cation 4SKh
180 DO Hydroxyl-d 2ΠC∞v
181 OH Hydroxyl radical 2ΠC∞v
182 OH- hydroxide anion 1ΣC∞v
183 OH+ hydoxyl cation 3ΣC∞v
184 OH+ hydoxyl cation 1ΣC∞v
185 HS Mercapto radical 2ΠC∞v
186 HS- mercapto anion 1ΣC∞v
187 HS+ sulfur monohydride cation 3ΣC∞v
188 CrH+ Chromium hydride cation 5ΣC∞v
189 HSe Selenium monohydride 2ΠC∞v
190 HSe- selenium monohydride anion 1ΣC∞v
191 HSe+ selenium monohydride cation 3ΣC∞v
192 H2O Water 1A1C2v
193 H2O- water anion 2A1C2v
194 H2O- water anion 2A'Cs
195 H2O+ water cation 2B1C2v
196 HDO Water-d1 1A1C2v
197 H2S Hydrogen sulfide 1A1C2v
198 H2S- Hydrogen sulfide anion 2A'Cs
199 H2S+ Hydrogen sulfide cation 2B1C2v
200 H2Se Hydrogen selenide 1A1C2v
201 H2Se+ Hydrogen selenide cation 2B1C2v
202 H3O+ hydronium cation 1A1C3v
203 H3S+ Sulfonium cation 1A1C3v
204 H3Se+ Hydrogen Selenide, protonated 1A1C3v
205 F Fluorine atom 2PKh
206 F- Fluorine atom anion 1SKh
207 F+ Fluorine atom cation 3SKh
208 F+ Fluorine atom cation 1DKh
209 Cl Chlorine atom 2PKh
210 Cl- Chlorine atom anion 1SKh
211 Cl+ Chlorine atom cation 3PKh
212 Cl+ Chlorine atom cation 1DKh
213 Br Bromine atom 2PKh
214 Br- Bromine atom anion 1SKh
215 Br+ Bromine atom cation 3PKh
216 DF Hydrofluoric acid-d 1ΣC∞v
217 HF Hydrogen fluoride 1ΣC∞v
218 HF- hydrogen fluoride anion 2ΣC∞v
219 HF+ hydrogen fluoride cation 2ΠC∞v
220 HCl Hydrogen chloride 1ΣC∞v
221 HCl- hydrogen chloride anion 2ΣC∞v
222 HCl+ hydrogen chloride cation 2ΠC∞v
223 HBr hydrogen bromide 1ΣC∞v
224 HBr- hydrogen bromide anion 2ΣC∞v
225 HBr+ hydrogen bromide cation 2ΠC∞v
226 H2Cl+ dihydrogen monochloride cation 1A1C2v
227 H2Br+ protonated hydrogen bromide 2A1C2v
228 Ne Neon atom 1SKh
229 Ne Neon atom   
230 Ne- Neon atom anion 2SKh
231 Ne+ Neon atom cation 2PKh
232 Ar Argon atom 1SKh
233 Ar- Argon atom anion 2SKh
234 Ar+ Argon atom cation 2PKh
235 Kr Krypton atom 1SKh
236 Kr+ Krypton cation 2PKh
237 HeLi+ Helium Lithium cation   
238 NeH neon hydrogen 2ΣC∞v
239 NeH+ neon hydrogen cation 1ΣC∞v
240 ArH+ Argon hydride cation 1ΣC∞v
241 KrH+ Protonated Krypton 1ΣC∞v
242 H2Ar H2 Ar dimer 1ΣC∞v
243 Li2 Lithium diatomic 1ΣgD∞v
244 Li2- lithium diatomic anion 2ΣuD∞h
245 Li2+ lithium diatomic cation 2ΣgD∞h
246 NaLi lithium sodium 1ΣC∞v
247 Na2 Sodium diatomic 1ΣgD∞h
248 Na2- sodium diatomic anion 2ΣuD∞h
249 Na2+ sodium diatomic cation 2ΣgD∞h
250 LiBe Lithium Beryllium 2ΣC∞v
251 LiMg Lithium magnesium 2ΣC∞v
252 NaBe Sodium Beryllium 2ΣC∞v
253 NaMg Sodium Magnesium 2ΣC∞v
254 Be2 Beryllium diatomic 1ΣgD∞h
255 Be2 Beryllium diatomic 3ΠgD∞h
256 Be2- Beryllium diatomic anion 2ΠuD∞h
257 Be2+ Beryllium diatomic cation 2ΣuD∞h
258 BeMg Beryllium Magnesium 1ΣC∞v
259 Mg2 Magnesium diatomic 1ΣgD∞h
260 Mg2- magnesium diatomic anion 2ΠUD∞h
261 Mg2+ magnesium diatomic cation 2ΣuD∞h
262 LiB Lithium boride 3ΠC∞v
263 LiAl Lithium Aluminum   
264 NaAl Sodium aluminum 1ΣC∞v
265 BeB Beryllium monoboride 2ΠC∞v
266 B2 Boron diatomic 3ΣgD∞h
267 B2 Boron diatomic 1ΣgD∞h
268 B2 Boron diatomic 5ΣuD∞h
269 B2- Boron diatomic anion 4ΣgD∞h
270 B2+ Boron diatomic cation 2ΠD∞h
271 BAl Boron Aluminum 3ΣC∞v
272 Al2 Aluminum diatomic 3ΣgD∞h
273 BGa Boron Gallium 3ΣC∞v
274 AlGa Aluminum Gallium 3ΣC∞v
275 AlGa Aluminum Gallium 1ΣC∞v
276 Ga2 Gallium diatomic 3Piu 
277 HBBH Diborane(2) 3ΣGD∞h
278 LiBH4 Lithium borohydride 1A1C3v
279 B2H4 Diborane(4) D2d 1A1D2d
280 HBHHBH Diborane(4) C2V 1A1C2v
281 B2H6 Diborane 1AgD2h
282 B2H6+ Diborane cation   
283 Al2H6 dialane 1AGD2h
284 Ga2H6 digallane 1AGD2h
285 LiC Lithium Carbide 4ΣC∞v
286 BeC Beryllium Carbide 3Σ-C∞v
287 BeC Beryllium Carbide   
288 BC boron monocarbide 4Σ-C∞v
289 AlC Aluminum carbide 4ΣC∞v
290 BSi Boron silicide 4ΣC∞v
291 BSi Boron silicide 2ΣC∞v
292 C2 Carbon diatomic 1Σg+D∞h
293 C2 Carbon diatomic 3ΠuD∞h
294 C2- carbon diatomic anion 2ΣgD∞h
295 C2+ carbon diatomic cation 4ΣgD∞h
296 C2+ carbon diatomic cation 2ΠD∞h
297 SiC silicon monocarbide 3ΣC∞v
298 SiC silicon monocarbide 1ΣC∞v
299 Si2 Silicon diatomic 3ΣgD∞h
300 Si2- silcon diatomic anion 2ΣgD∞h
301 Si2+ silcon diatomic cation 2ΠD∞h
302 GeC Germanium monocarbide 1ΣC∞v
303 SiGe Silicon Germanium   
304 Ge2 Germanium diatomic 3ΣgD∞h
305 C2H Ethynyl radical 2ΣC∞v
306 C2H- Ethynyl anion 1ΣC∞v
307 C2H+ Ethynyl cation 3ΠC∞v
308 C2H2 Acetylene 1ΣgD∞h
309 C2H2+ acetylene cation 2ΠuD∞h
310 C2H2+ acetylene cation   
311 CCH2 vinylidene 3B2C2v
312 H2CC- vinylidene anion   
313 HCCH- acetylene anion   
314 HCCH- acetylene anion   
315 Si2H2 disilyne   
316 Si2H2 disilyne   
317 Si2H2 disilyne   
318 Si2H2 disilyne   
319 CH3Li methyl lithium 1A1C3v
320 CH2BH methyleneborane 1A1C2v
321 C2H3 vinyl 2A'Cs
322 C2H3- vinyl anion 1A'Cs
323 C2H3+ vinyl cation 1A1C2V bridging H
324 C2H3+ vinyl cation 1A1C2V HCCH2
325 C2H4 Ethylene 1AgD2h
326 C2H4- Ethylene anion 2AgC2h
327 C2H4+ Ethylene cation 2B3uD2h
328 C2H4+ Ethylene cation 2B3D2
329 CH3CH methylmethylene 3A"Cs
330 Si2H4 Disilene   
331 Si2H4 Disilene   
332 Si2H4 Disilene   
333 CH3BH2 methylborane 1A'Cs
334 C2H5 Ethyl radical 2A'Cs
335 C2H5- Ethyl anion 1A'Cs
336 C2H6 Ethane 1A1gD3d
337 C2H6 Ethane 1A1'D3h
338 C2H6+ ethane cation 2BgC2h
339 C2H6+ ethane cation 2AgCi
340 Si2H6 disilane 1EuD3d
341 C2H7+ Ethane, protonated 1AC2
342 LiN Lithium Nitride 3ΣC∞v
343 LiN+ Lithium Nitride cation 4ΣC∞v
344 LiP Lithium monophosphide   
345 LiP Lithium monophosphide   
346 BeN Beryllium mononitride 4ΣC∞v
347 BeN Beryllium mononitride 2ΠC∞v
348 BeN+ Beryllium mononitride cation 3ΣC∞v
349 BeN+ Beryllium mononitride cation 1ΣC∞v
350 MgN Magnesium Nitride   
351 MgN Magnesium Nitride   
352 BN- boron nitride anion 2ΣC∞v
353 BP Boron monophosphide 3ΠC∞v
354 BP Boron monophosphide 1ΣC∞v
355 AlP Aluminum monophosphide 3ΣC∞v
356 AlP Aluminum monophosphide 3ΠC∞v
357 AlP Aluminum monophosphide 1ΣC∞v
358 GaN Gallium mononitride 3ΠC∞v
359 GaN Gallium mononitride 1ΣC∞v
360 GaP Gallium monophosphide 3ΣC∞v
361 GaP Gallium monophosphide 1ΣC∞v
362 GaAs Gallium arsenide 3Π 
363 GaAs Gallium arsenide 1Σ 
364 BN boron nitride 3ΠC∞v
365 BN boron nitride 1ΣC∞v
366 BN+ boron nitride cation 2ΠC∞v
367 AlN Aluminum nitride 3ΠiC∞v
368 CN Cyano radical 2ΣC∞v
369 CN- cyanide anion 1ΣC∞v
370 CN+ Cyano cation 1ΣC∞v
371 CP Carbon monophosphide 2ΣC∞v
372 SiN Silicon nitride 2ΣC∞v
373 SiN- silicon mononitride anion 1ΣC∞v
374 SiN+ silicon mononitride cation 3ΠC∞v
375 SiP Silicon monophosphide 2ΠC∞v
376 N2 Nitrogen diatomic 1ΣgD∞h
377 N2 Nitrogen diatomic   
378 N2- nitrogen diatomic anion 2ΠgD∞h
379 N2+ diatomic nitrogen cation 2ΣgD∞h
380 PN Phosphorus mononitride 1ΣC∞v
381 PN- phosphorus nitride anion 2ΠC∞v
382 PN+ phosphorus nitride cation 2ΠC∞v
383 P2 Phosphorus diatomic 1ΣgD∞h
384 P2- phosphorus diatomic anion 2ΠgD∞h
385 P2+ phosphorus diatomic cation 2ΠUD∞h
386 AsN Arsenic mononitride 1ΣC∞v
387 AsP Arsenic monophosphide 1ΣC∞v
388 HCN Hydrogen cyanide 1ΣC∞v
389 HCN- Hydrogen cyanide anion 2A'Cs
390 HCN+ hydrogen cyanide cation 2ΠC∞v
391 HNC+ hydrogen isocyanide cation   
392 HCP+ Phosphaethyne cation   
393 NNH+ Dinitrogen monohydride cation 1ΣC∞v
394 LiNH2 lithium amide   
395 HBNH Boranimine 1ΣC∞v
396 CNH2 Aminomethylidyne radical 2B2C2v
397 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
398 H2CN Dihydrogen cyanide radical 2B2C2v
399 H2CN+ hydrocyanonium cation 1A1C2v
400 HCNH methyleneazane 2A'CS cis
401 HCNH methyleneazane 2A'CS trans
402 HCNH+ N-protonated HCN 1ΣC∞v
403 H2NN Isodiazene   
404 N2H2 (E)-diazene 1AgC2h
405 N2H2 (Z)-Diazene 1A1C2v
406 N2H2+ trans-diazene cation 2AGC2h
407 CH2NH Methanimine 1A'Cs
408 CH2NH+ Methanimine cation   
409 CHNH2 aminomethylene   
410 CHNH2+ Aminocarbene cation   
411 CH2PH Phosphaethene 1A'Cs
412 BH2NH2 Boranamine   
413 CH2NH2+ methyleneamine cation 1A1C2v
414 N2H4 Hydrazine 1AC2
415 N2H4+ hydrazine cation 2AGC2h
416 CH3NH2 methyl amine 1A'Cs
417 CH3NH2+ methyl amine cation 2A'Cs
418 SiH3NH2 Silane, amino   
419 N2H5+ protonated hydrazine 1A'Cs
420 BH3PH3 borane phosphine   
421 BH3NH3 borane ammonia 1A1C3v
422 CH3NH3 methyl ammonium radical 2A1C3v
423 CH3NH3+ protonated methylamine 1A1C3v
424 CH3PH3+ methyl phosphine, protonated 1A1C3v
425 NH3NH3 Ammonia Dimer 1AgC2h
426 NH3NH3 Ammonia Dimer 1A'Cs
427 N2H7+ ammonia ammonium dimer   
428 LiO lithium oxide 2ΣC∞v
429 LiO- lithium oxide anion 3ΣC∞v
430 LiS Lithium monosulfide 2ΠC∞v
431 LiS+ Lithium sulfide cation 3ΣC∞v
432 NaO sodium monoxide 2ΣC∞v
433 NaS Sodium sulfide 2ΠC∞v
434 LiSe Lithium monoselenide   
435 BeO beryllium oxide 1ΣC∞v
436 BeO- Beryllium monoxide anion 2ΣC∞v
437 BeO+ Beryllium monoxide cation 2ΠC∞v
438 BeS beryllium sulfide 1ΣC∞v
439 MgO magnesium oxide 1Σ+C∞v
440 MgO- magnesium oxide anion 2ΣC∞v
441 MgO+ magnesium oxide cation 2ΠC∞v
442 MgS magnesium sulfide 1ΣC∞v
443 MgS+ magnesium sulfide cation 2ΠC∞v
444 BO boron monoxide 2ΣC∞v
445 BO- boron monoxide anion 1ΣC∞v
446 AlO Aluminum monoxide 2ΣC∞v
447 BS boron sulfide 2ΣC∞v
448 AlS Aluminum sulfide 2ΣC∞v
449 ScO Scandium monoxide 2ΣC∞v
450 GaO Gallium monoxide 2ΣC∞v
451 GaS Gallium monosulfide   
452 BO+ boron monoxide cation 1ΣC∞v
453 CO Carbon monoxide 1ΣC∞v
454 CO- carbon monoxide anion 2ΠC∞v
455 CO+ carbon monoxide cation 2ΣC∞v
456 CS carbon monosulfide 1ΣC∞v
457 SiO Silicon monoxide 1ΣC∞v
458 SiO- silicon monoxide anion 2ΠC∞v
459 SiO+ silicon monoxide cation 2ΣC∞v
460 SiS silicon monosulfide 1ΣC∞v
461 SiS- silicon monosulfide anion 2ΠC∞v
462 TiO Titanium monoxide 3ΔC∞v
463 CSe Carbon monoselenide 1ΣC∞v
464 GeO Germanium monoxide 1ΣC∞v
465 GeO+ Germanium monoxide cation 2ΣC∞v
466 GeS Germanium monosulfide 1ΣC∞v
467 SiSe Silicon Monoselenide   
468 SiSe+ Silicon Monoselenide cation   
469 GeSe Germanium monoselenide   
470 NO Nitric oxide 2ΠC∞v
471 NO- nitric oxide anion 3ΣC∞v
472 NO+ nitric oxide cation 1ΣC∞v
473 NS Mononitrogen monosulfide 2ΠC∞v
474 NS- nitrogen sulfide anion 3ΣC∞v
475 NS- nitrogen sulfide anion 1ΣC∞v
476 NS+ nitrogen sulfide cation 1ΣC∞v
477 PO Phosphorus monoxide 2ΠC∞v
478 PO- phosphorus monoxide anion 3ΣC∞v
479 PO+ phosphorus monoxide cation 1ΣC∞v
480 PS phosphorus sulfide 2ΣC∞v
481 PS- phosphorus monosulfide anion 3ΣC∞v
482 PS+ phosphorus monosulfide cation 1ΣC∞v
483 VO Vanadium monoxide 4Σ- 
484 NSe Nitrogen monoselenide 2ΠC∞v
485 AsS Arsenic monosulfide 2ΠC∞v
486 PSe Phosphorus monoselenide 2ΠC∞v
487 AsSe Arsenic monoselenide 2ΠC∞v
488 O2 Oxygen diatomic 3ΣgD∞h
489 O2 Oxygen diatomic 1ΔgD∞h
490 O2- oxygen diatomic anion 2ΠD∞h
491 O2-- dioxygen dianion   
492 O2+ diatomic oxygen cation 2ΠgD∞h
493 SO Sulfur monoxide 3ΣC∞v
494 SO Sulfur monoxide 1ΣC∞v
495 SO- sulfur monoxide anion 2ΠC∞v
496 SO+ sulfur monoxide cation 2ΠC∞v
497 S2 Sulfur diatomic 3ΣgD∞h
498 S2- sulfur diatomic anion 2ΠD∞h
499 S2+ sulfur diatomic cation 2ΠD∞h
500 SeO Selenium monoxide 3ΣC∞v
501 Se2 Selenium diatomic 3ΣgD∞h
502 LiOH lithium hydroxide 1ΣC∞v
503 BeOH beryllium monohydroxide 2A'Cs
504 BeOH beryllium monohydroxide 2ΣC∞v
505 HBO Boron hydride oxide 1ΣC∞v
506 HBS hydrogen boron sulfide 1ΣC∞v
507 COH Hydroxymethylidyne   
508 COH+ Carbon Monoxide, protonated 1ΣC∞v
509 HCO Formyl radical 2A'Cs
510 HCO- formyl anion 1A'Cs
511 HCO+ Formyl cation 1ΣC∞v
512 HCS- Thioformyl anion 1A'Cs
513 HNO Nitrosyl hydride 1A'Cs
514 HNO- Nitrosyl hydride anion 2A"Cs
515 HNO+ Nitrosyl hydride cation 2A'Cs
516 NOH Hydroxyimidogen 3A"Cs
517 NOH+ O-protonated nitric oxide 2A'Cs
518 HNS- Sulfur imide anion 2ACs
519 HO2 Hydroperoxy radical 2A"Cs
520 HO2+ Hydroperoxy cation 3A"Cs
521 HO2+ Hydroperoxy cation 1A'Cs
522 HSO+ Sulfur Monoxide, S-protonated   
523 SOH Sulfur Hydroxide   
524 SOH+ Sulfur Monoxide, protonated   
525 HS2 Thiosulfeno radical 2A"Cs
526 H2CO Formaldehyde 1A1C2v
527 H2CO- formaldehyde anion   
528 H2CO+ formaldehyde cation 2B2C2v
529 HOCH hydroxycarbene 1A'CS trans
530 HOCH hydroxycarbene 1A'CS cis
531 H2CS Thioformaldehyde 1A1C2v
532 H2CS- thioformaldehyde anion   
533 H2CS- thioformaldehyde anion   
534 H2CS+ thioformaldehyde cation 2B2C2v
535 H2CSe Selenoformaldehyde   
536 H2NO nitroxide 2B1C2v
537 H2NO nitroxide 2A'Cs
538 H2O2 Hydrogen peroxide 1AC2
539 H2O2 Hydrogen peroxide 1AgC2h
540 H2O2+ Hydrogen peroxide cation 2BgC2h
541 H2O2+ Hydrogen peroxide cation 2A1C2v
542 H2OO water oxide   
543 HOSH hydrogen thioperoxide   
544 H2S2 Disulfane 1AC2
545 H2S2+ hydrogen disulfide cation 2BgC2h
546 H2Se2 hydrogen diselenide   
547 CH2OH Hydroxymethyl radical 2AC1
548 CH2OH+ hydroxymethyl cation 1A'Cs
549 CH3O- methoxy anion 1A1C3v
550 CH3O+ Methoxy cation 3A1C3v
551 H2CSH+ Thioformaldehyde, protonated 1A'Cs
552 NH2OH hydroxylamine 1A'Cs
553 NH2OH+ Hydroxylamine cation   
554 NH3O Ammonia Oxide 1A1C3v
555 H2POH Phosphinous acid 1A1'CS trans
556 H2POH Phosphinous acid 1A1'CS cis
557 H3PO Phosphine oxide 1A1C3v
558 NH2SH Thiohydroxylamine   
559 CH3OH Methyl alcohol 1A'Cs
560 CH3OH- Methyl alcohol anion 2A'Cs
561 CH3OH- Methyl alcohol anion 2A'CS eclipsed
562 CH3OH+ Methyl alcohol cation 2A"Cs
563 CH3SH Methanethiol 1A'Cs
564 CH3SH+ Methanethiol cation 2A"Cs
565 SiH3OH silanol   
566 NH2OH2+ protonated hydroxylamine   
567 NH3OH+ N-protonated hydroxylamine   
568 H2OH2O water dimer 1A'Cs
569 CH3OH2+ Methanol, protonated 1A'Cs
570 H5O2+ Dihydroxonium ion 1AC2
571 LiF lithium fluoride 1ΣC∞v
572 LiCl lithium chloride 1ΣC∞v
573 NaF sodium fluoride 1ΣC∞v
574 NaF+ sodium fluoride cation 2ΣC∞v
575 NaCl Sodium Chloride 1ΣC∞v
576 LiBr Lithium Bromide 1ΣC∞v
577 NaBr Sodium Bromide 1ΣC∞v
578 LiF+ lithium fluoride cation 2ΠC∞v
579 BeF Beryllium monofluoride 2ΣC∞v
580 BeF- Beryllium monofluoride anion 1ΣC∞v
581 BeCl beryllium monochloride 2ΣC∞v
582 MgF Magnesium monofluoride 2ΣC∞v
583 MgF- magnesium fluoride anion 1ΣC∞v
584 MgF+ magnesium fluoride cation 1ΣC∞v
585 MgCl magnesium monochloride 2ΣC∞v
586 MgCl- magnesium monochloride anion 1ΣC∞v
587 MgCl+ magnesium monochloride cation 1ΣC∞v
588 ZnF Zinc monofluoride 2ΣC∞v
589 BF Boron monofluoride 1ΣC∞v
590 BF- Boron monofluoride anion 2ΠC∞v
591 BF+ Boron monofluoride cation 2ΣC∞v
592 AlF Aluminum monofluoride 1Σ+C∞v
593 AlF- Aluminum monofluoride anion 2ΠC∞v
594 AlF+ Aluminum monofluoride cation 2ΣC∞v
595 BCl boron monochloride 1ΣC∞v
596 BCl+ boron monochloride cation 2ΣC∞v
597 AlCl Aluminum monochloride 1ΣC∞v
598 ScF Scandium monofluoride 1ΣC∞v
599 BBr Boron monobromide 1ΣC∞v
600 GaF Gallium monofluoride 1ΣC∞v
601 GaF+ Gallium monofluoride cation 2ΣC∞v
602 AlBr Aluminum monobromide   
603 GaCl Gallium monochloride 1ΣGC∞v
604 GaCl+ Gallium monochloride cation 2ΣC∞v
605 GaBr Gallium monobromide   
606 CF Fluoromethylidyne 2ΠC∞v
607 CF+ carbon monofluoride cation 1ΣC∞v
608 CCl carbon monochloride 2ΠC∞v
609 SiF silicon monofluoride 2ΠC∞v
610 SiF- silicon monofluoride anion 3ΣC∞v
611 SiF+ silicon monofluoride cation 1ΣC∞v
612 SiCl Clorosilylidyne 2ΠC∞v
613 SiCl- silicon monochloride anion 3ΣC∞v
614 CBr Carbon monobromide 2ΠC∞v
615 GeF Germanium monofluoride 2ΠC∞v
616 GeF+ Germanium monofluoride cation 1ΣC∞v
617 GeCl Germanium monochloride 2ΠC∞v
618 GeCl+ Germanium monochloride cation   
619 SiBr Silicon monobromide 2ΠC∞v
620 SiBr+ Silicon monobromide cation   
621 NF nitrogen fluoride 3ΣC∞v
622 NF- nitrogen monofluorine anion 2ΠC∞v
623 NF+ nitrogen monofluoirde cation 2ΠC∞v
624 NCl nitrogen monochloride 3ΣC∞v
625 PF phosphorus monofluoride 3ΣC∞v
626 PF- phosphorus monofluoride anion 2ΠC∞v
627 PF+ phosphorus monofluoride cation 2ΠC∞v
628 PCl phosphorus chloride 3ΣC∞v
629 PCl- phosphorus monochloride anion 2ΠC∞v
630 PCl+ phosphorus monochloride cation 2ΠC∞v
631 AsF Arsenic monofluoride 3ΣC∞v
632 AsF Arsenic monofluoride 1ΔC∞v
633 NBr nitrogen monobromide 3Σ-C∞v
634 AsCl Arsenic monochloride 3ΣC∞v
635 PBr Phosphorus monobromide   
636 FO Oxygen monofluoride 2ΠC∞v
637 FO- flourine oxide anion 1ΣC∞v
638 FO+ fluorine monoxide cation 3ΣC∞v
639 ClO Monochlorine monoxide 2ΠC∞v
640 ClO+ chlorine monoxide cation 3ΣC∞v
641 SF Monosulfur monofluoride 2ΠC∞v
642 SF- sulfur monofluoride anion 1ΣC∞v
643 SF+ sulfur monofluoride cation 3ΣC∞v
644 SCl sulfur monochloride 2ΠC∞v
645 SCl- sulfur monochloride anion 1ΣC∞v
646 SCl+ sulfur monochloride cation 3ΣgC∞v
647 BrO Bromine monoxide 2ΠC∞v
648 BrO- Bromine monoxide anion 1ΣC∞v
649 BrO+ Bromine monoxide cation   
650 SeF Selenium monofluoride 2ΠC∞v
651 SBr Sulfur monobromide radical   
652 SBr+ Sulfur monobromide cation   
653 SeCl Selenium monochloride 2ΠC∞v
654 SeBr Selenium monobromide   
655 BrCl Bromine monochloride 1ΣC∞v
656 F2 Fluorine diatomic 1ΣgD∞h
657 F2- flourine diatomic anion 2ΣuD∞h
658 F2+ flourine diatomic cation 2ΠgD∞h
659 ClF Chlorine monofluoride 1Σ+C∞v
660 ClF+ clorine monofluoride cation 2ΠC∞v
661 Cl2 Chlorine diatomic 1ΣgD∞h
662 Cl2- chlorine diatomic anion 2ΣuD∞h
663 Cl2+ chlorine diatomic cation 2ΠgD∞h
664 BrF Bromine monofluoride 1ΣC∞v
665 Br2 Bromine diatomic 1ΣgD∞h
666 Br2- bromine diatomic anion 2ΣuD∞h
667 Br2+ bromine diatomic cation 2ΠgD∞h
668 HCF Fluoromethylene 1A'Cs
669 HCF Fluoromethylene 3A"Cs
670 HCCl Chloromethylene 1A'Cs
671 HCCl Chloromethylene 3A"Cs
672 HSiF fluorosilylene   
673 HSiCl Chlorosilylene   
674 HSiBr monobromosilylene   
675 CHBr bromomethylene 1A'Cs
676 HOF Hypofluorous acid 1A'Cs
677 HOCl hypochlorous acid 1A'Cs
678 HOCl+ hypochlorous acid cation   
679 HOBr Hypobromous acid 1A'Cs
680 HOBr+ Hypobromous acid cation 2A"Cs
681 F2H+ Fluorine, protonated 1A'Cs
682 FHF- Hydrogen difluoride anion 1ΣgD∞h
683 ClFH+ Chlorine fluoride, F-protonated   
684 FClH+ Chlorine fluoride, Cl-protonated   
685 Cl2H+ Chlorine, protonated 1A'Cs
686 CH2Br bromomethyl radical   
687 CH2F fluoromethyl radical 2ACs
688 CH2F+ fluoromethyl cation   
689 CH2Cl+ chloromethyl cation   
690 CH2Cl chloromethyl radical 2B1C2v
691 NH2Cl chloramine 1A'Cs
692 CH3F+ methyl fluoride cation   
693 CD3F methylfluoride-d3 1A1C3v
694 CH3F Methyl fluoride 1A1C3v
695 CD3Cl methyl chloride d3 1A1C3v
696 CH3Cl Methyl chloride 1A1C3v
697 CH3Cl+ Methyl chloride cation   
698 SiH3F monofluorosilane 1A1C3v
699 SiH3Cl chlorosilane 1A1C1
700 CH3Br methyl bromide 1A1C3v
701 GeH3F monofluorogermane   
702 GeH3Cl monochlorogermane   
703 NH3Cl+ protonated monochloroammonia   
704 CH3ClH+ methyl chloride, protonated   
705 NH4Cl Ammonium chloride   
706 LiNe+ Lithium Neon cation   
707 Ne2 Neon diatomic 1ΣgD∞h
708 Ne2+ Neon diatomic cation 2ΣuD∞h
709 Ar2 Argon diatomic 1SgD∞h
710 Ar2+ Argon diatomic cation 2ΣuD∞h
711 Li3 Lithium trimer 2B2C2v
712 Li3+ Lithium trimer cation 1A1'D3h
713 C3 carbon trimer 1ΣgD∞h
714 C3 carbon trimer 1A1C2v
715 SiC2 Silicon dicarbide   
716 C3H3- Propargyl anion 1A'Cs
717 C3H3+ cyclopropenyl cation 1A1D3h
718 C3H4 cyclopropene 1A1C2v
719 CH2CCH2 allene 1A1D2d
720 CH3CCH propyne 1A'C3v
721 C3H5 Allyl radical 2A2C2v
722 CH3CHCH 1-propenyl radical 2A'Cs
723 C3H6 Cyclopropane 1A1'D3h
724 CH2CHCH3 Propene 1A'Cs
725 C3H7 n-Propyl radical 2A"C1
726 C3H7+ cyclopropane, protonated   
727 CH3CHCH3 Isopropyl radical 2AC2
728 CH3CHCH3+ Isopropyl cation 1AC2
729 C3H8 Propane 1A1C2v
730 Si3H8 trisilane   
731 LiCN lithium cyanide 1ΣC*V LiCN
732 LiCN lithium cyanide 1A'Cs
733 LiCN lithium cyanide 1ΣC*V LiNC
734 NaCN Sodium Cyanide 1ΣC∞v
735 NaCN Sodium Cyanide 1ACs
736 NaCN Sodium Cyanide 1ΣC∞v
737 ZnCN Zinc monocyanide 2ΣC∞v
738 ZnNC Zinc isocyanide 2ΣC∞v
739 AlCN Aluminum monocyanide   
740 AlNC Aluminum isocyanide   
741 CN2 3H-Diazirin-3-ylidene 1A1C2v
742 NCN Cyanoimidogen 3ΣgD∞h
743 NCN Cyanoimidogen 1ΣgD∞h
744 N3 azide radical 2ΠgD∞h
745 N3+ azide cation 3ΣgD∞h
746 N3+ azide cation 3ΣC∞v
747 HCCN cyanomethylene 3ΣC∞v
748 HCCN cyanomethylene   
749 HN3 hydrogen azide 1A'Cs
750 HNCNH diiminomethane 1AC2
751 HNNNH+ 1,2-Triazadienium   
752 NH2NN+ hydrazoic acid, protonated   
753 CH3CN- acetonitrile anion 2EC3v
754 HCNCH2+ 2H-Azirine cation   
755 HNCNH2+ diiminomethane, protonated 1A'Cs
756 CH3CHN methylmethaniminyl radical 2A'Cs
757 C2H6N+ aziridine, protonated 1A1C2v
758 CH3CH2NH2 Ethylamine   
759 Li2O dilithium oxide 1ΣgD∞h
760 Li2O+ dilithium oxide cation 2ΠD∞h
761 Li2S dilithium sulfide 1ΣGD∞h
762 Li2S dilithium sulfide 1A1C2v
763 Na2O disodium monoxide 1ΣgLinear
764 Na2O disodium monoxide 1A1C2v
765 Na2S Sodium sulfide   
766 Na2S Sodium sulfide   
767 LiO2 Lithium dioxide   
768 NaO2 Sodium superoxide   
769 CCO Dicarbon monoxide 3ΣC∞v
770 CCO Dicarbon monoxide 1ΠC∞v
771 NCO isocyanato radical 2ΠC∞v
772 BO2- Boron dioxide anion 1ΣgD∞h
773 N2O Nitrous oxide 1ΣC∞v
774 N2O- Nitrous oxide anion 2A'Cs
775 NNS Nitrogen sulfide 1ΣC∞v
776 CO2 Carbon dioxide 1ΣgD∞h
777 CO2- Carbon dioxide anion 2A1C2v
778 OCS Carbonyl sulfide 1ΣC∞v
779 CS2 Carbon disulfide 1ΣgD∞h
780 CS2- Carbon disulfide anion 2A1C2v
781 TiO2 Titanium dioxide 1A1C2v
782 GeO2 Germanium dioxide 1ΣgD∞h
783 OCSe Carbonyl selenide 1ΣC∞v
784 SCSe Carbon sulfide selenide   
785 GeS2 Germanium disulfide 1ΣGD∞h
786 NO2 Nitrogen dioxide 2A1C2v
787 NO2+ Nitrogen dioxide cation 1ΣGD∞h
788 NSO sulfinyl amidogen   
789 SNO Nitrogen oxide sulfide   
790 O3 Ozone 1A1Cs
791 SO2 Sulfur dioxide 1A1C2v
792 SSO Disulfur monoxide 1A'Cs
793 S3 Sulfur trimer 1A1C2v
794 S3 Sulfur trimer   
795 S3+ Sulfur trimer cation 2B2C2v
796 SeO2 Selenium dioxide 1A1C2v
797 SeO2+ Selenium dioxide cation 2A1C2v
798 HCNO fulminic acid 1ΣC∞v
799 HCOO formate neutral radical 2A'Cs
800 HOCO Hydrocarboxyl radical 1A'cis
801 HOCO Hydrocarboxyl radical 1A'trans
802 O3H+ protonated ozone 1A'Cs
803 C2H2O Oxirene 1A1C2v
804 CH2CS Thioketene   
805 Be(OH)2 Beryllium hydroxide   
806 Mg(OH)2 Magnesium dihydroxide 1AC2
807 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
808 NH2NO Nitrosamide 1AC1
809 H2COO Dioxymethyl radical 2A'Cs
810 H2COO+ dioxymethyl cation 2A'Cs
811 HCOOH Formic acid 1A'Cs
812 CH2BOH hydroxy(methylene)borane 1A'Cs
813 BH3CO Borane carbonyl 1A1C3v
814 CH3BO Borane, methyloxo- 1A1C3v
815 CH2COH+ ketene, protonated   
816 CH3CO+ acetyl cation 1A1C3v
817 CH2NOH formaldoxime 1A'Cs
818 CH3NO nitrosomethane 1A'Cs
819 CHONH2 formamide 1A'Planar
820 CHONH2 formamide 1ANon-Planar
821 CNOH3 1,2-oxaziridine 1AC1
822 HOCHNH hydroxymethylimine 1A'CS H all up
823 HOCHNH hydroxymethylimine 1A'CS OH down
824 NHCHSH Methanimidothioic acid   
825 C2H4O Ethylene oxide 1A1C2v
826 C2H4O+ ethylene oxide cation   
827 CH3CHO Acetaldehyde 1A'Cs
828 CH3CHO+ acetaldehyde cation   
829 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
830 C2H4S Thiirane 1A1C2v
831 CH2CHSH Ethenethiol   
832 H2CONH2+ protonated formamide 1A'Cs
833 NH2CHOH+ Formamide, O-protonated   
834 CH3SSH Hydrogen methyl disulfide   
835 HSCH2SH Methanedithiol   
836 C2H4OH+ ethylene oxide, protonated 1A'Cs
837 CH2CH2OH 2-hydroxy ethyl radical 2AC1
838 CH3CH2O Ethoxy radical 2A'Cs
839 CH3CHOH 1-hydroxy-ethyl radical 2AC1
840 CH3CH2OH Ethanol 1A'Cs
841 CH3OCH3 Dimethyl ether 1A1C2v
842 CH3CH2SH ethanethiol 1A'Cs
843 CH3CH2SH ethanethiol 1AC1
844 CH3SCH3 Dimethyl sulfide 1A1C2v
845 CH3SCH3+ dimethyl sulfide cation   
846 CNF iso cyanogen fluoride 1ΣC∞v
847 BrCN Cyanogen bromide 1ΣC∞v
848 FBO Boron monofluoride monoxide   
849 BeF2 Beryllium fluoride 1ΣgD∞h
850 MgF2 Magnesium fluoride 1ΣgD∞h
851 BeCl2 Beryllium chloride 1ΣgD∞h
852 BeBr2 Beryllium bromide   
853 FCO Carbonyl fluoride 2A'Cs
854 FCO+ Carbonyl fluoride cation 1ΣC∞v
855 ClCO carbonyl monochloride 2A'Cs
856 BF2 Boron difluoride radical 2A1C2v
857 FNO Nitrosyl fluoride 1A'Cs
858 ClNO Nitrosyl chloride 1A'Cs
859 FNS Thionitrosyl fluoride 1A'Cs
860 FSN Thiazyl fluoride 1A'Cs
861 OPCl Phosphorus oxychloride   
862 CF2 Difluoromethylene 1A1D∞h
863 CFCl chlorofluoromethylene 1A'Cs
864 SiF2 Silicon difluoride 1A1C2v
865 SiF2 Silicon difluoride 3B1C2v
866 GeF2 Germanium difluoride 1A1C2v
867 GeCl2 Germanium dichloride 1A1C2v
868 OClO Chlorine dioxide 2B1D∞h
869 OClO- Chlorine dioxide anion 1A'Cs
870 ClSO Sulfur chloride oxide 2A"Cs
871 BrOO Bromine dioxide   
872 PF2 Phosphorus difluoride   
873 PF2+ Phosphorus difluoride cation   
874 FClO chlorosyl fluoride 1A'Cs
875 ClOF Chlorine hypofluorite 1A'Cs
876 SF2 sulfur difluoride 1A1C2v
877 SF2- sulfur difluoride anion 2ΠD∞h
878 SCl2 Sulfur dichloride 1A1C2v
879 SeF2 Selenium difluoride   
880 SeCl2 Selenium Dichloride   
881 SBr2 Sulfur dibromide   
882 SeBr2 Selenium dibromide   
883 Br3- tribromide anion   
884 SFCl Sulfur chloride fluoride   
885 HCCF Fluoroacetylene 1ΣC∞v
886 HFCO+ formyl fluoride cation 2A'Cs
887 COHCl Formyl chloride 1A'Cs
888 CHF2 difluoromethyl radical 2ACs
889 CHF2+ difluoromethyl cation   
890 CHFCl Chlorofluoromethyl radical   
891 CHFCl+ Chlorofluoromethyl cation   
892 CHCl2+ dichloromethyl cation   
893 HOClO Chlorous acid 1AC1
894 NHF2 difluoramine   
895 NHCl2 dichloroamine   
896 CH2F2 Methane, difluoro- 1A1C2v
897 SiH2F2 difluorosilane   
898 CH2Cl2 Methylene chloride 1A1C2v
899 CH2BrCl Methane, bromochloro- 1A'Cs
900 CH2Br2 dibromomethane 1A1C2v
901 SiH2Cl2 dichlorosilane 1A1C2v
902 CH3MgBr Methyl Magnesium Bromide   
903 CH2CHF Ethene, fluoro- 1A'Cs
904 CH2FOH fluoromethanol   
905 C2H5Br Ethyl bromide 1A'Cs
906 KrF2 Krypton difluoride 1ΣGD∞h
907 B4H10 Tetraborane(10) 1A1C2v
908 C4 Carbon tetramer 3ΣgD∞h
909 C4H2+ diacetlyene cation 2ΠgD∞h
910 C4H4 cyclobutadiene 1AgD2h
911 C4H4 Tetrahedrane   
912 C4H6 1-Methylcyclopropene 1AC1
913 CH3CH2CH2CH3 Butane 1AgAnti
914 Li3N trilithium nitride 1A'D3h
915 C2N2 Cyanogen 1ΣgD∞h
916 As4 Arsenic tetramer 1A1Td
917 HCCCN+ Cyanoacetylene cation 2ΠC∞v
918 H2CNCN cyanamide, methylene   
919 HNCCNH Ethenediimine   
920 C3H3N+ acrylonitrile cation 2A"Cs
921 C2H5CN ethyl cyanide 1A'Cs
922 CH5N3 Guanidine 1AC1
923 C4H6 Bicyclo[1.1.0]butane 1A1C2v
924 CH7N3 triaminomethane   
925 N(SiH3)3 trisilylamine   
926 Na2O2 disodium dioxide   
927 C3O Tricarbon monoxide 1ΣC∞v
928 ONNO NO dimer 1Agtrans C2H
929 ONNO NO dimer 1A1cis C2V
930 S2N2 Disulfur dinitride 1AGD2h
931 NO3- nitrate anion 1A1'D3h
932 SO3 Sulfur trioxide 1A1'D3h
933 SO3- Sulfur trioxide anion 2A1pyramidal
934 SO3- Sulfur trioxide anion 2A2"planar
935 SO3-- Sulfate dianion   
936 S4 Sulfur tetramer   
937 S4 Sulfur tetramer   
938 S4 Sulfur tetramer   
939 HNO3 Nitric acid 1A'Cs
940 C3H2O Propadienal   
941 C3H2O Propadienal   
942 C2H2O2 Ethanedial 1AgC2h
943 CH3NCO methylisocyante   
944 CH3NO2 Methane, nitro- 1A'Cs
945 H3AlO3 Aluminum hydroxide   
946 CH2CHCHO Acrolein 1A'Cs
947 CH2CHCHO Acrolein   
948 NH2CONH2 Urea 1A1C2v
949 CH3COCH2 Acetonyl radical 2A"Cs
950 CH3CH2CHO Propanal 1A'Cs
951 CH3COCH3 Acetone 1A1C2v
952 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
953 C3H7OH 1-Propanol   
954 Li2F2 Lithium fluoride dimer   
955 CF2O Carbonic difluoride 1A1C2v
956 CF2O+ Carbonic difluoride cation   
957 COFCl Carbonic chloride fluoride 1A'Cs
958 Cl2CS Thiophosgene 1A1C2v
959 BF3 Borane, trifluoro- 1A'D3h
960 BF3- Borane, trifluoro- anion 2A1C3v
961 BF3+ boron trifluoride cation   
962 AlF3 Aluminum trifluoride 1A1'D3h
963 BCl3 Borane, trichloro- 1A1'D3h
964 BCl3+ Boron Trichloride cation   
965 GaF3 Gallium trifluoride 1A1'D3h
966 GaCl3 Gallium trichloride 1A1'D3h
967 CF2Cl difluorochloromethyl radical   
968 SiF3+ Silicon trifluoride cation 1A1'D3h
969 CFCl2 dichlorofluoromethyl radical   
970 SiCl3+ trichlorosilyl cation 1A1'D3h
971 ClO2F Chloryl fluoride 1A'Cs
972 SSCl2 Thiothionyl chloride   
973 NF3 Nitrogen trifluoride 1A1C3v
974 NF3- Nitrogen trifluoride anion 2A1C3v
975 NF3- Nitrogen trifluoride anion 2ACs
976 NCl3 nitrogen trichloride 1A1C3v
977 NBr3 Nitrogen Tribromide 1A1C3v
978 PBr3 Phosphorus tribromide 1A1C3v
979 SF3 Sulfur trifluoride 2A'Cs
980 HClO3 Chloric Acid 1A'Cs
981 HClO3 Chloric Acid 1AC1
982 CHF3 Methane, trifluoro- 1A1C3v
983 SiHF3 trifluorosilane   
984 CHBrF2 Methane, bromodifluoro- 1A'Cs
985 CHFClBr fluorochlorobromomethane 1AC1
986 CHBrCl2 Methane, bromodichloro- 1A'Cs
987 AsF3H+ Arsenic trifluoride, protonated   
988 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
989 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
990 C2H4F2 1,2-difluoroethane 1AgC2H anti
991 C2H4F2 1,2-difluoroethane 1AC2 gauche
992 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
993 CH2CHCH2F Allyl Fluoride   
994 CH2CHCH2F Allyl Fluoride   
995 CH3CHCHF trans-1-Fluoro-1-propene   
996 CH3CHFCH3 2-Fluoropropane 1A'Cs
997 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
998 B5H9 pentaborane9   
999 C5H4 pentatetraene   
1000 C5H8 Bicyclo[1.1.1]pentane   
1001 C3H4N2 4H-Imidazole 1A'Cs
1002 C3O2 Carbon suboxide 1ΣGD∞h
1003 B2O3 diboron trioxide   
1004 B2O3 diboron trioxide   
1005 C3H2O2 Propiolic acid 1A'Cs
1006 C3H3NO Isoxazole 1A'Cs
1007 C4H4O Furan 1A1C2
1008 C2H4O3 1,2,3-trioxolane 1A'Cs
1009 CH2CHSCHCH2 Divinyl sulfide   
1010 C4H10O Ethoxy ethane 1A1C2v
1011 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1012 CF2Cl2 difluorodichloromethane 1A1C2v
1013 CF3Br Bromotrifluoromethane 1A1C3v
1014 GeF4 Germanium tetrafluoride 1A1Td
1015 CCl4 Carbon tetrachloride 1A1Td
1016 SF4 Sulfur tetrafluoride 1A1C2v
1017 CH2ClCCCl 1,3-dichloropropyne   
1018 CHCl2CCH 3,3-dichloropropyne   
1019 C2H2N2O Furazan   
1020 C6H6 Benzene 1A1gD6h
1021 C3H2O3 vinylene carbonate   
1022 C2H4O4 Formic acid dimer 1AGC2h
1023 C5H6O 2H-Pyran   
1024 C4H6O2 γ–Butyrolactone 1AC1
1025 C3H6O3 1,3,5-Trioxane 1A1C1
1026 C4H8O2 Ethyl acetate 1A'Cs
1027 PF5 Phosphorus pentafluoride 1A1'D3h
1028 C5H4O2 furfural 1A'OCCO cis
1029 C5H4O2 furfural 1A'OCCO trans
1030 C6H12O Oxepane   
1031 SF6 Sulfur Hexafluoride 1A1GOh
1032 C8H8 cubane 1A1GOh
1033 B12H12-- Dodecahydrododecaborate(2-)   

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 H3+ hydrogen trimer cation h3+  
6 He- Helium atom anion he-  
7 HeH Helium hydride heh  
8 K Potassium atom k  
9 K- Potassium atom anion k-  
10 K+ Potassium atom cation k+  
11 Cu Copper atom cu  
12 Cu- Copper atom anion cu-  
13 Cu+ Copper atom cation cu+  
14 NaH- sodium hydride anion nah-  
15 KH Potassium hydride kh  
16 KH+ Potassium hydrogen cation kh+  
17 CuH Copper monohydride cuh  
18 Ca Calcium atom ca  
19 Ca- Calcium atom anion ca-  
20 Ca+ Calcium atom cation ca+  
21 Zn Zinc atom zn  
22 Zn- Zinc atom anion zn-  
23 Zn+ Zinc atom cation zn+  
24 CaH Calcium monohydride cah  
25 CaH+ Calcium monohydride cation cah+  
26 ZnH Zinc monohydride znh  
27 CaH2 Calcium Hydride cah2  
28 ZnH2 Zinc hydride znh2  
29 ScH+ Scandium monohydride cation sch+  
30 BH2 boron dihydride bh2  
31 AlH2 aluminum dihydride alh2  
32 AlH2- aluminum dihydride anion alh2-  
33 AlH2+ aluminum dihydride cation alh2+  
34 AlH4- Aluminum tetrahydride anion alh4-  
35 Ti Titanium atom ti  
36 Ti- Titanium atom anion ti-  
37 Ti+ Titanium atom cation ti+  
38 Sn Tin atom sn  
39 Sn+ Tin cation sn+  
40 SiH2- silicon dihydride anion sih2-  
41 SiH2+ silicon dihydride cation sih2+  
42 SiH3- Silyl anion sih3-  
43 CH4- Methane anion ch4-  
44 SnH4 Stannane snh4  
45 Sb Antimony atom sb  
46 SbH Antimony monohydride sbh  
47 ND2 Amidogen-d2 nd2  
48 PH2 Phosphino radical ph2  
49 PH2- Phosphino anion ph2-  
50 PH2+ Phosphino cation ph2+  
51 ND3 Ammonia-d3 nd3  
52 SbH3 Stibine sbh3  
53 Cr Chromium atom cr  
54 Te Tellurium atom te  
55 Te+ Tellurium atom cation te+  
56 DS Mercapto-d ds  
57 TeH Telluryl radical teh  
58 D2O Deuterium oxide d2o  
59 D2S Hydrogen sulfide-d2 d2s  
60 H2Te Hydrogen Telluride h2te  
61 Mn Manganese atom mn  
62 I Iodine atom iodine  
63 I- Iodine atom anion iodine-  
64 I+ Iodine atom cation iodine+  
65 DCl Hydrochloric acid-d dcl  
66 HI Hydrogen iodide hi  
67 HI+ Hydrogen iodide cation hi+  
68 H2F+ dihydrogen fluoride cation h2f+  
69 H2I+ Iodonium h2i+  
70 Fe Iron atom fe  
71 Xe Xenon atom xe  
72 XeH+ Xenon, protonated xeh+  
73 Co Cobalt atom cobalt  
74 Ni Nickel atom ni  
75 NaLi- lithium sodium anion lina-  
76 NaLi+ lithium sodium cation lina+  
77 LiK Lithium Potassium lik  
78 NaK Sodium Potassium nak  
79 NaK+ Sodium Potassium diatomic cation nak+  
80 K2 Potassium diatomic k2  
81 Cu2 Copper diatomic cu2  
82 Ca2 Calcium diatomic ca2  
83 Al2- aluminum diatomic anion al2-  
84 Al2+ aluminum diatomic cation al2+  
85 CaC Calcium monocarbide cac  
86 BC- boron monocarbide anion bc-  
87 BC+ boron monocarbide cation bc+  
88 SiC- silicon monocarbide anion sic-  
89 SiC+ silicon monocarbide cation sic+  
90 ZnCH2 Zinc methylene znch2  
91 CCH2 vinylidene vinylidene  
92 CuCH3 monomethyl copper cuch3  
93 ZnCH3 Zinc monomethyl znch3  
94 CH2SiH2 silaethylene ch2sih2  
95 C2H5+ Ethyl cation c2h5+  
96 CH3SiH3 methyl silane ch3sih3  
97 GeH3CH3 methyl germane geh3ch3  
98 BeN- Beryllium mononitride anion ben-  
99 AlN- aluminum mononitride anion aln-  
100 AlN+ aluminum mononitride cation aln+  
101 CP- carbon monophosphide anion cp-  
102 CP+ carbon monophosphide cation cp+  
103 SiP- Silicon monophosphide anion sip-  
104 SiP+ Silicon monophosphide cation sip+  
105 TiN Titanium mononitride tin  
106 SbN Antimony nitride sbn  
107 As2 Arsenic diatomic as2  
108 HNB hydrogen nitrogen boron hnb  
109 HNC hydrogen isocyanide hnc  
110 HCP Phosphaethyne hcp  
111 NNH Dinitrogen monohydride nnh  
112 HPO Hydrogen phosphorus oxide hpo  
113 HPO+ Hydrogen phosphorus oxide cation hpo+  
114 P2H4 Diphosphine p2h4  
115 CH3PH2 Methyl phosphine ch3ph2  
116 LiO- lithium oxide anion lio-  
117 LiO+ lithium oxide cation lio+  
118 NaO- sodium oxide anion nao-  
119 NaO+ sodium oxide cation nao+  
120 KO Potassium monoxide ko  
121 KO+ Potassium monoxide cation ko+  
122 CuO Copper Monoxide cuo  
123 CaO Calcium monoxide cao  
124 MgS- magnesium sulfide anion mgs-  
125 CaS Calcium sulfide cas  
126 ZnO zinc monoxide zno  
127 ZnS Zinc sulfide zns  
128 BeS- Beryllium monosulfide anion bes-  
129 BeS+ Beryllium monosulfide cation bes+  
130 AlO- Aluminum monoxide anion alo-  
131 AlO+ aluminum monoxide cation alo+  
132 BS- boron monosulfide anion bs-  
133 BS+ boron monosulfide cation bs+  
134 AlS- aluminum monosulfide anion als-  
135 AlS+ aluminum monosulfide cation als+  
136 CS- carbon monosulfide anion cs-  
137 CS+ carbon monosulfide cation cs+  
138 SiS+ silicon monosulfide cation sis+  
139 CSe- Carbon monoselenide anion cse-  
140 CSe+ Carbon monoselenide cation cse+  
141 AsO Arsenic monoxide aso  
142 SeO- selenium monoxide anion seo-  
143 SeO+ selenium monoxide cation seo+  
144 SeS Selenium monosulfide ses  
145 SeS- selenium monosulfide anion ses-  
146 SeS+ selenium monosulfide cation ses+  
147 TeO Tellurium monoxide teo  
148 Se2- selenium diatomic anion se2-  
149 Se2+ selenium diatomic cation se2+  
150 Te2 Tellurium diatomic te2  
151 NaOH sodium hydroxide naoh  
152 KOH Potassium hydroxide koh  
153 MgOH magnesium hydroxide mgoh  
154 CaOH Calcium monohydroxide caoh  
155 HCS Thioformyl radical hcs  
156 HCS+ Thioformyl cation hcs+  
157 HNS Sulfur imide hns  
158 HO2- Hydroperoxy anion ho2-  
159 CH3O Methoxy radical ch3o  
160 CH3S thiomethoxy ch3s  
161 NH3S sulfidoazane nh3s  
162 H3O2+ hydrogen peroxide, protonated h3o2+  
163 CH3SeH Methane selenol ch3seh  
164 CH3SH2+ protonated methylsulfide ch3sh2+  
165 H2ONH3 Water Ammonia Dimer h2onh3  
166 LiCl- lithium chloride anion licl-  
167 LiCl+ lithium chloride cation licl+  
168 NaF- sodium fluoride anion naf-  
169 KF Potassium Fluoride kf  
170 NaCl- sodium chloride anion nacl-  
171 NaCl+ sodium chloride cation nacl+  
172 KCl Potassium Chloride kcl  
173 CuF Copper monofluoride cuf  
174 LiBr- lithium bromide anion libr-  
175 LiBr+ lithium bromide cation libr+  
176 CuCl Copper monochloride cucl  
177 NaBr- sodium bromide anion nabr-  
178 NaBr+ sodium bromide cation nabr+  
179 KBr Potassium Bromide kbr  
180 LiI Lithium Iodide lii  
181 NaI Sodium Iodide nai  
182 KI Potassium Iodide ki  
183 LiF- lithium fluoride anion lif-  
184 BeF+ Beryllium monofluoride cation bef+  
185 CaF Calcium monofluoride caf  
186 CaCl calcium monochloride cacl  
187 TiCl Titanium Monochloride ticl  
188 ZnF- Zinc monofluoride anion znf-  
189 ZnF+ Zinc monofluoride cation znf+  
190 ZnCl Zinc monochloride zncl  
191 CaBr Calcium monobromide cabr  
192 BeCl- beryllium monochloride anion becl-  
193 BeCl+ beryllium monochloride cation becl+  
194 BCl- boron monochloride anion bcl-  
195 AlCl- aluminum monochloride anion alcl-  
196 AlCl+ aluminum monochloride cation alcl+  
197 AlI Aluminum monoiodide ali  
198 CF- carbon monofluoride anion cf-  
199 CCl- carbon monochloride anion ccl-  
200 CCl+ carbon monochloride cation ccl+  
201 SiCl+ silicon monochloride cation sicl+  
202 NCl- nitrogen monochloride anion ncl-  
203 NCl+ nitrogen monochloride cation ncl+  
204 SbF Antimony monofluoride sbf  
205 SbCl Antimony monochloride sbcl  
206 ClO- chlorine monoxide anion clo-  
207 IO Iodine monoxide io  
208 ClF- clorine monofluoride anion clf-  
209 BrF- bromine fluoride anion brf-  
210 BrF+ bromine fluoride cation brf+  
211 BrCl- bromine chloride anion brcl-  
212 BrCl+ bromine chloride cation brcl+  
213 IF Iodine monofluoride if  
214 ICl Iodine monochloride icl  
215 IBr Iodine monobromide ibr  
216 I2 Iodine diatomic i2  
217 I2+ Iodine diatomic cation i2+  
218 DOCl Hypochlorous acid-d docl  
219 HOI Hypoiodous acid hoi  
220 FHF Hydrogen difluoride fhf  
221 NH2F monofluoroamine nh2f  
222 H2F2 Hydrogen fluoride dimer h2f2  
223 SiH3Br bromosilane sih3br  
224 CH3I methyl iodide ch3i  
225 SiH3I Silyl Iodide sih3i  
226 C3+ carbon trimer cation c3+  
227 C3H3 cyclopropenyl radical cpr  
228 C3H3 Propargyl radical propargyl  
229 C3H3+ Propargyl cation c3h3+  
230 C3H5+ Allyl cation allyl+  
231 Zn(CH3)2 dimethyl zinc dmz  
232 SiH2(CH3)2 dimethylsilane dms  
233 KCN Potassium cyanide kcn  
234 CuCN Copper cyanide cucn  
235 N3- azide anion n3-  
236 HCNN diazomethyl radical hcnn  
237 CH2N2 diazirine ch2n2  
238 CH2NN diazomethane ch2nn  
239 NH2CN cyanamide cyanamide  
240 CH3CN+ Acetonitrile cation ch3cn+  
241 CH3NC methyl isocyanide ch3nc  
242 CHNCH2 2H-Azirine c157164  
243 CHNHCH 1H-Azirine chnhch  
244 H2CCNH Ethenimine ch2cnh  
245 H2CNCH methyleneaminomethylene ch2nch  
246 HCCNH2 Ethynamine hccnh2  
247 NCNH3+ Cyanamide, protonated ncnh3+  
248 CH2CHNH vinylazine ch2chnh  
249 NHCHNH2 aminomethanimine cn2h4  
250 C2H5N Aziridine c2h5n  
251 CH2CHNH2 aminoethene aminoethene  
252 CH2NCH3 N-methylmethanimine nmm  
253 CH3CHNH ethanimine ethanimine  
254 NH2BHNH2 diaminoborane nh2bhnh2  
255 C2H5NH+ Protonated Aziridine c2h5nh+  
256 NH2CH2NH2 diaminomethane nh2ch2nh2  
257 CH3NHCH3 Dimethylamine ch3nhch3  
258 CH3PHCH3 dimethylphosphine ch3phch3  
259 NH2CH2NH3+ diaminoethane, protonated pdam  
260 (CH3)2NH2+ dimethylammonium cation dmam  
261 CH3CH2NH3+ ethylamine, protonated pea  
262 CNO- fulminate cno-  
263 NCO- cyanate nco-  
264 SCN thiocyanato radical scn  
265 SCN- thiocyanide anion scn-  
266 BO2 Boron dioxide bo2  
267 BO2+ Boron dioxide cation bo2+  
268 N2O+ Nitrous oxide cation n2o+  
269 PPO Phosphorus oxide phosphide ppo  
270 CO2+ Carbon dioxide cation co2+  
271 OCS+ Carbonyl sulfide cation cos+  
272 SiO2 silicon dioxide sio2  
273 CS2+ Carbon disulfide cation cs2+  
274 SiS2 Silicon disulfide sis2  
275 CSe2 Carbon diselenide cse2  
276 SCTe Carbon sulfide Telluride scte  
277 NO2- Nitrogen dioxide anion no2-  
278 PO2 Phosphorus dioxide po2  
279 PO2- Phosphorus dioxide anion po2-  
280 PO2+ Phosphorus dioxide cation po2+  
281 AsO2 Aresenic dioxide aso2  
282 O3- Ozone anion o3-  
283 O3+ Ozone cation o3+  
284 SO2- Sulfur dioxide anion so2-  
285 SO2+ Sulfur dioxide cation so2+  
286 S3- Sulfur trimer anion s3-  
287 TeO2 Tellurium Dioxide teo2  
288 CS2H+ Carbon disulfide, protonated cs2h+  
289 HNCO Isocyanic acid hnco  
290 HOCN cyanic acid hocn  
291 HNCS Isothiocyanic acid hncs  
292 HSCN thiocyanic acid hscn  
293 HCO2- formate anion hco2-  
294 HNNO nitrosoazane hnno  
295 HNNO+ Nitrous oxide, N-protonated hnno+  
296 NNOH+ Nitrous Oxide, O-protonated nnoh+  
297 HOCO+ Hydrocarboxyl cation hoco+  
298 HNO2 Nitrous acid hno2  
299 HNO2+ nitrous acid cation hno2+  
300 SO2H+ protonated sulfur dioxide so2h+  
301 CH2CO+ Ketene cation ch2co+  
302 HCCOH ethynol hccoh  
303 CH2O2 Dioxirane diox  
304 H2O3 Hydrogen trioxide h2o3  
305 HSSSH trisulfane hsssh  
306 NaOCH3 Sodium methoxide naoch3  
307 CH2CHO Vinyloxy radical ch2cho  
308 CH3CO Acetyl radical ch3co  
309 CH3CO- Acetyl anion ch3co-  
310 CHSNH2 thioformamide chsnh2  
311 CH2OOH CH2OOH radical ch2ooh  
312 CH3OO methylperoxy radical ch3oo  
313 CH3OO- methylperoxy anion ch3oo-  
314 CH3OO+ methylperoxy cation ch3oo+  
315 CH2CHOH ethenol ch2choh  
316 CH3CHS Thioacetaldehyde ch3chs  
317 NH3CHO+ Formamide, N-Protonated nh3cho+  
318 CH2(OH)2 methanediol ch2o2h2  
319 CH3OOH Methyl peroxide ch3ooh  
320 H2OH2CO water formaldehyde dimer h2oh2co  
321 CH3CHOH+ acetaldehyde, protonated ch3choh+  
322 CH3OCH2 methoxymethyl radical ch3och2  
323 NH2CH2OH aminomethanol nh2ch2oh  
324 CH3SeCH3 dimethylselenide dmse  
325 CH3OHH2O methanol water dimer ch3ohh2o  
326 H2OCH3OH water methanol dimer h2och3oh  
327 CuF2 Copper difluoride cuf2  
328 ZnF2 Zinc difluoride znf2  
329 FCN Cyanogen fluoride fcn  
330 ClCN chlorocyanogen clcn  
331 ICN Cyanogen iodide icn  
332 MgCl2 Magnesium dichloride mgcl2  
333 CaCl2 Calcium Chloride cacl2  
334 ZnCl2 Zinc dichloride zncl2  
335 CaBr2 Calcium dibromide cabr2  
336 CaF2 Calcium difluoride caf2  
337 BrNO Nitrosyl bromide brno  
338 INO Nitrosyl iodide ino  
339 CF2- Difluoromethylene anion cf2-  
340 CF2+ Difluoromethylene cation cf2+  
341 SiF2+ Silicon difluoride cation sif2+  
342 CCl2 dichloromethylene ccl2  
343 CCl2- dichloromethylene anion ccl2-  
344 CCl2+ dichloromethylene cation ccl2+  
345 SiCl2 Dichlorosilylene sicl2  
346 CBr2 dibromomethylene cbr2  
347 FOO Dioxygen monofluoride radical foo  
348 ClOO chloroperoxy radical cloo  
349 ClOO+ chloroperoxy cation cloo+  
350 OClO+ Chlorine dioxide cation oclo+  
351 ClS2 Sulfur chloride cls2  
352 OBrO Bromine dioxide radical obro  
353 NF2 Difluoroamino radical nf2  
354 NF2+ Difluoroamino cation nf2+  
355 F2O Difluorine monoxide f2o  
356 SF2+ sulfur difluoride cation sf2+  
357 Cl2O Dichlorine monoxide cl2o  
358 BrOCl Bromine hypochlorite brocl  
359 BrOBr Bromine oxide brobr  
360 F3- trifluoride anion f3-  
361 Cl3- trichloride anion cl3-  
362 I3- triiodide i3-  
363 HCCF+ fluoroacetylene cation hccf+  
364 HCCCl Chloroacetylene hcccl  
365 HCCBr bromoacetylene hccbr  
366 HFCO formyl fluoride hfco  
367 BHF2 Difluoroborane bhf2  
368 BHCl2 Borane, dichloro- bhcl2  
369 CHCl2 dichloromethyl radical chcl2  
370 CHBr2 dibromomethyl radical chbr2  
371 CH2FCl fluorochloromethane ch2fcl  
372 CH2BrF Methane, bromofluoro- ch2fbr  
373 CH2FI fluoroiodomethane ch2fi  
374 CH2ClI chloroiodomethane ch2cli  
375 CH2BrI bromoiodomethane ch2bri  
376 CH2I2 Diiodomethane ch2i2  
377 CH2CHF+ fluoroethene cation ch2chf+  
378 C2H3Cl Ethene, chloro- ch2chcl  
379 C2H3Br vinyl bromide c2h3br  
380 C2H3I Vinyl iodide c2h3i  
381 CH3OCl methyl hypochlorite ch3ocl  
382 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
383 CHClCH3 1-chloroethyl radical chclch3  
384 C2H5F fluoroethane c2h5f  
385 CH3CH2Cl Ethyl chloride c2h5cl  
386 CH3SiFH2 fluoromethylsilane ch3sifh2  
387 C2H5I Ethyl iodide c2h5i  
388 XeF2 Xenon difluoride xef2  
389 C4+ Carbon tetramer cation c4+  
390 C4H2 Diacetylene c4h2  
391 C2H3CCH 1-Buten-3-yne c2h3cch  
392 H2CCCCH2 Butatriene h2cccch2  
393 C4H6 Cyclobutene c822355  
394 C4H6 Methylenecyclopropane c6142730  
395 CH2CCHCH3 1,2-Butadiene butad12  
396 CH2CHCHCH2 1,3-Butadiene c106990  
397 CH3CCCH3 2-Butyne c503173  
398 CHCCH2CH3 1-Butyne c107006  
399 CH3CHCHCH2 methylallyl radical c4h7  
400 C4H8 methylcyclopropane mcp  
401 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
402 CH2CHCH2CH3 1-Butene bute1  
403 CH3CHCHCH3 2-Butene, (E)- bute2e  
404 CH3CHCHCH3 2-Butene, (Z)- bute2z  
405 B(CH3)3 trimethylborane bme3  
406 Al(CH3)3 trimethyl aluminum tma  
407 C(CH3)3 Tert-butyl radical tbutyl  
408 CH2CH(CH3)2 Isobutyl radical isobutyl  
409 CH3CHCH2CH3 2-Butyl radical butyl2  
410 CH3CH(CH3)CH3 Isobutane isobutane  
411 SiH(CH3)3 trimethylsilane trimsi  
412 C2N2+ Cyanogen cation c2n2+  
413 P4 Phosphorus tetramer p4  
414 HCCCN Cyanoacetylene hcccn  
415 C3H3N acrylonitrile ch2chcn  
416 CH3N3 methyl azide ch3n3  
417 NH2CCNH2 Diaminoacetylene daa  
418 NH2CH2CN Aminoacetonitrile aan  
419 CH3NHN2+ methyl azide, protonated ch3nhn2+  
420 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
421 H2NCHCHNH2 diaminoethylene dae  
422 CH6N3+ guanidinium ch6n3+  
423 C3H7N Cyclopropylamine cpram  
424 C3H7N Azetidine azet  
425 C4H8 cyclobutane cbutane  
426 C2H8N2 Ethylenediamine ethdiam  
427 CH3NHNHCH3 dimethyl hydrazine dmh  
428 CH3CH(NH2)CH3 2-Propanamine pram2  
429 N(CH3)3 Trimethylamine trimeam  
430 NH2CH2CH2CH3 1-Propanamine pram1  
431 P(CH3)3 trimethylphosphine tmp  
432 As(CH3)3 trimethyl arsine tmas  
433 (CH3)3NH+ protonated trimethyl amine ptma  
434 C3H7NH3+ n-propylamine, protonated c3h7nh2  
435 Li2O2 dilithium dioxide li2o2  
436 K2O2 dipotassium dioxide k2o2  
437 B2O2 Diboron dioxide b2o2  
438 CO3 Carbon trioxide co3  
439 CO3-- carbonate co3--  
440 CS3-- Carbonotrithioate cs3--  
441 NO3 Nitrogen trioxide no3  
442 NO3+ nitrogen trioxide cation no3+  
443 SO3+ Sulfur trioxide cation so3+  
444 SeO3 selenium trioxide seo3  
445 TeO3 Tellurium trioxide teo3  
446 HCO3- bicarbonate anion hco3-  
447 HSO3 Hydroxysulfonyl radical hso3  
448 NH2NO2 nitramide nh2no2  
449 C2H2CO cyclopropenone c2h2co  
450 HCCCHO 2-propynal hcccho  
451 C2H2O2+ Ethanedial cation c2h2o2+  
452 H2CO3 Carbonic acid h2co3  
453 H2CS3 thiocarbonic acid h2cs3  
454 H2NO3+ Nitric Acid, Protonated h2no3+  
455 H2SO3 Sulfurous acid h2so3  
456 C2H3NO Nitrosoethylene c2h3no  
457 HOCH2CN cyanomethanol hoch2cn  
458 CH3COO- acetate anion ch3coo-  
459 CH3ONO Methyl nitrite ch3ono  
460 NH2COOH Carbamic acid nh2cooh  
461 H3BO3 Boric acid h3bo3  
462 H3CO3+ carbonic acid, protonated h3co3+  
463 C3H4O 2-Propyn-1-ol c107197  
464 C3H4O allenol c9000071  
465 C3H4O Cyclopropanone cpone  
466 C3H4O Methylketene c6004440  
467 NH2CONH2+ Urea cation urea+  
468 NH2CSNH2 Thiourea thiourea  
469 C2H4O2 1,3-dioxetane c2h4o2  
470 CH3COOH Acetic acid ch3cooh  
471 CH3OCHO methyl formate ch3ocho  
472 CHOCH2OH hydroxy acetaldehyde haa  
473 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
474 NH3COOH+ protonated Carbamic acid nh3cooh+  
475 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
476 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
477 HCOOHH2O Formic acid water dimer hcoohh2o  
478 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
479 CH2C(OH)NH2 1-amino vinyl alchohol ava  
480 CH3C(OH)=NH Ethaninidic acid eia  
481 CH3CHNOH Acetaldoxime acetaldoxime  
482 CH3CONH2 Acetamide acetamide  
483 HCONHCH3 N-methylformamide nmfa  
484 CH3CSNH2 Ethanethioamide ch3csnh2  
485 CH5N2O+ urea, N-protonated ch4n2o+  
486 H2NCOHNH2+ urea, protonated ureah+  
487 C2H5OO ethylperoxy radical c2h5oo  
488 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
489 C3H5OH Cyclopropanol cproh  
490 C3H6O 2-Propen-1-ol c107186  
491 C3H6O Acetone enol enol  
492 C3H6O Oxetane oxetane  
493 C3H6O Propylene oxide prox  
494 CH3COCH3- acetone anion ch3coch3-  
495 C3H6S Thietane thietane  
496 C3H6S Thiirane, methyl- methiirane  
497 CH3CSCH3 Thioacetone ch3csch3  
498 C2H6O2 1,2-Ethanediol ethdiol  
499 CH3OOCH3 dimethylperoxide dmp  
500 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
501 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
502 CH3COHCH3+ acetone, protonated acetoneh+  
503 HOCH2CH2NH2 monoethanolamine mea  
504 CH3CHOHCH3 Isopropyl alcohol isoproh  
505 CH3OC2H5 Ethane, methoxy- etome  
506 C3H7SH 1-Propanethiol prsh  
507 CH3CHSHCH3 2-Propanethiol isoprsh  
508 CH3SCH2CH3 Ethane, (methylthio)- etsme  
509 H2OCH3OCH3 water dimethylether dimer h2och3och3  
510 Na2F2 Sodium Fluoride Dimer na2f2  
511 Na2Cl2 Disodium dichloride na2cl2  
512 C2F2 difluoroacetylene c2f2  
513 C2Cl2 dichloroacetylene c2cl2  
514 C2Cl2+ dichloroacetylene cation c2cl2+  
515 FNO2 Nitryl fluoride fno2  
516 FONO Nitrosyl hypofluorite fono  
517 ClNO2 Nitryl chloride clno2  
518 ClONO chlorine nitrite clono  
519 BrONO Bromine nitrite brono  
520 N2F2 (Z)-Difluorodiazene n2f2_z  
521 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
522 CCl2O Phosgene cl2co  
523 COBr2 Carbonic dibromide cobr2  
524 BClF2 Chlorodifluoroborane bclf2  
525 AlF2Cl Aluminum chloride difluoride alclf2  
526 ScF3 Scandium trifluoride ScF3  
527 AlFCl2 Aluminum dichloride fluoride alcl2f  
528 AlCl3 Aluminum trichloride alcl3  
529 BBr3 Boron tribromide bbr3  
530 AlBr3 Aluminum Bromide albr3  
531 ClO3 Chlorine trioxide clo3  
532 ClO3- chlorate anion clo3-  
533 BrO3- Bromate anion bro3-  
534 CF3 Trifluoromethyl radical cf3  
535 CF3- Trifluoromethyl anion cf3-  
536 CF3+ Trifluoromethyl cation cf3+  
537 SiF3 Silicon trifluoride radical sif3  
538 CCl3 Trichloromethyl radical ccl3  
539 CCl3- Trichloromethyl anion ccl3-  
540 CCl3+ Trichloromethyl cation ccl3+  
541 SiCl3 trichlorosilyl radical sicl3  
542 CBr3 tribromomethyl radical cbr3  
543 FOOF Perfluoroperoxide foof  
544 F2SO Thionyl Fluoride f2so  
545 ClOOCl Dichlorine dioxide cloocl  
546 FSSF Difluorodisulfane fssf  
547 S2F2 Thio-thionyl fluoride s2f2  
548 SOCl2 thionyl chloride socl2  
549 SeOCl2 selenium oxychloride seocl2  
550 NF3+ Nitrogen trifluoride cation nf3+  
551 PF3 Phosphorus trifluoride pf3  
552 AsF3 Arsenic trifluoride asf3  
553 PCl3 Phosphorus trichloride pcl3  
554 SbF3 Antimony Trifluoride sbf3  
555 AsCl3 Arsenous trichloride ascl3  
556 SbCl3 Antimony Trichloride sbcl3  
557 AsBr3 Arsenic tribromide asbr3  
558 NI3 Nitrogen triiodide ni3  
559 PI3 Phosphorus triiodide pi3  
560 ClSSCl Disulfur dichloride s2cl2  
561 ClF3 Chlorine trifluoride clf3  
562 BrF3 Bromine trifluoride brf3  
563 IF3 iodone trifluoride if3  
564 CHF2Cl difluorochloromethane chf2cl  
565 CHFCl2 fluorodichloromethane chfcl2  
566 CDCl3 trichloromethane-d cdcl3  
567 SiHCl3 Trichlorosilane sihcl3  
568 CHF2I difluoroiodomethane chf2i  
569 CHBr2F dibromofluoromethane chbr2f  
570 CHFClI fluorochloroiodomethane chfcli  
571 CHCl2I dichloroiodomethane chcl2i  
572 CHClBr2 Methane, dibromochloro- chclbr2  
573 CHBr3 bromoform chbr3  
574 CHI3 Iodoform chi3  
575 NF3H+ protonated nitrogen trifluoride nf3h+  
576 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
577 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
578 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
579 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
580 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
581 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
582 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
583 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
584 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
585 C2H2Br2 1,1-dibromoethene c2h2br2  
586 CH2FCHO Fluoroacetaldehyde ch2fcho  
587 CH3COF Acetyl fluoride ch3cof  
588 CH2ClCHO chloroacetaldehyde ch2clcho  
589 CH3COCl Acetyl Chloride ch3cocl  
590 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
591 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
592 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
593 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
594 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
595 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
596 CH2CFCH3 2-fluoropropene 2fpro  
597 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
598 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
599 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
600 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
601 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
602 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
603 CH2FCH2CH3 1-Fluoropropane prf1  
604 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
605 CH3CH2CH2Br n-propyl bromide prbr  
606 CH3CHBrCH3 i-propyl bromide iprbr  
607 C3H9O+ trimethyl oxonium cation c3h9o+  
608 C5H5 cyclopentadienyl radical c5h5  
609 C5H5- cylopentadienyl anion c5h5-  
610 C5H6 1,3-Cyclopentadiene c542927  
611 C5H6 1-Buten-3-yne, 2-methyl- c78808  
612 C5H6 3-Penten-1-yne, (E)- c2004695  
613 C5H6 3-Penten-1-yne, (Z)- c1574409  
614 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
615 C5H6 Cyclopropylacetylene c6746947  
616 C5H6 Propellane propellane  
617 C5H7 1,3-pentadienyl radical pdyl  
618 C5H7 cyclopentenyl radical cpyl  
619 C5H8 1,2-Butadiene, 3-methyl- c598254  
620 C5H8 1,2-Pentadiene c591957  
621 C5H8 1,3-Butadiene, 2-methyl- c78795  
622 C5H8 1,3-Pentadiene, (E)- c2004708  
623 C5H8 1,3-Pentadiene, (Z)- c1574410  
624 C5H8 1,4-Pentadiene c591935  
625 C5H8 1-pentyne a1pentyne  
626 C5H8 2,3-Pentadiene c591968  
627 C5H8 Cyclobutane, methylene- c1120565  
628 C5H8 Cyclopentene c142290  
629 C5H8 Ethenylcyclopropane c693867  
630 CH3CCCH2CH3 2-Pentyne 2pentyne  
631 C5H10 1-Butene, 2-methyl- c563462  
632 C5H10 2-Butene, 2-methyl- c513359  
633 C5H10 2-Pentene, (E)- c646048  
634 C5H10 2-Pentene, (Z)- c627203  
635 C5H10 Cyclopentane c287923  
636 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
637 CH2CHCH2CH2CH3 1-pentene pentene  
638 C5H11 2-Methylbut-2-yl radical c4348350  
639 C5H12 Butane, 2-methyl- buta2  
640 C5H12 Pentane pentane  
641 C5H12 Propane, 2,2-dimethyl- neopentane  
642 Si(CH3)4 tetramethylsilane tms  
643 N2O3 Dinitrogen trioxide n2o3  
644 C3H2N2 Malononitrile c3h2n2  
645 CH2N4 1H-Tetrazole 1htz  
646 C3H3N2 imidazolyl radical im  
647 C3H3N2- imidizolyl anion im-  
648 C2H3N3 1H-1,2,4-Triazole c288880  
649 C4H4N pyrrolide radical c4h4n  
650 C4H4N- pyrrolide anion c4h4n-  
651 C3H4N2 1H-Imidazole 1himidaz  
652 C3H4N2 1H-Pyrazole 1hpyraz  
653 C3H4N2 2H-Imidazole imid2h  
654 C4H5N (E)-2-Butenenitrile c627269  
655 C4H5N (Z)-2-Butenenitrile c1190767  
656 C4H5N 2H-pyrrole pyrrole2  
657 C4H5N 3H-pyrrole pyrrole3  
658 C4H5N Cyclopropanecarbonitrile c5500210  
659 C4H5N Pyrrole pyrrole  
660 CH2CHCH2CN Allylcyanide ch2chch2cn  
661 C4H6N+ pyrrole, alpha-protonated appyr  
662 C4H6N+ pyrrole, beta-protonated bppyr  
663 C4H6N+ pyrrole, protonated ppyr  
664 C3H6N2 3-Aminopropionitrile c151188  
665 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
666 CH3CH2CH2CN Butanenitrile c109740  
667 C5H8 Bicyclo[2.1.0]pentane c185944  
668 C5H8 Spiropentane c157404  
669 C4H9N Cyclobutylamine cbam  
670 C4H9N Pyrrolidine pyrrolidine  
671 C3H10N2 1,2-Diaminopropane diampr12  
672 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
673 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
674 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
675 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
676 NH(C2H5)2 diethylamine dea  
677 NC4H12+ tetramethyl ammonium cation nc4h12+  
678 C3O2+ Carbon suboxide cation c3o2+  
679 MgCO3 Magnesium Carbonate mgco3  
680 BeCO3 Beryllium Carbonate beco3  
681 CaCO3 Calcium Carbonate caco3  
682 ONONO Nitrosyl nitrite onono  
683 PO4--- phosphate po4---  
684 SO4-- sulfate so4--  
685 HOONO2 peroxy nitric acid hoono2  
686 HSO4- bisulfate anion hso4-  
687 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
688 CHOCOOH oxo acetic acid oaa  
689 CHOOCHO diformyl ether choocho  
690 H2SO4 Sulfuric acid h2so4  
691 H2SeO4 Selenic acid h2seo4  
692 C3H3NO Oxazole oxazole  
693 C3H3NS Thiazole thiazole  
694 CH3C(O)OO acetyl peroxy radical ch3coo2  
695 CH3NO3 Methyl nitrate ch3no3  
696 H3PO4 Phosphoric Acid h3po4  
697 C4H4O+ Furan cation furan+  
698 CH3COCCH 3-butyn-2-one c1423605  
699 C4H4S Thiophene furans  
700 C4H4Se selenophene c4h4se  
701 C3H4O2 β–Propiolactone beta  
702 C3H4O2 2-Propenoic acid propenoic2  
703 C3H4O2 Methyl glyoxal megly  
704 C3H4O2 propanedial propanedial  
705 C3H4O2 propenalol propenalol  
706 HOCHCCHOH allenediol aldiol  
707 C2H4O3 trioxolane124 triox  
708 HOCH2COOH Hydroxyacetic acid hac  
709 CH2CHCONH2 Acrylamide c79061  
710 CH3OCH2CN Methoxyacetonitrile c1738369  
711 CH5N3S Hydrazinecarbothioamide c79196  
712 H2NCH2COOH Glycine glycine  
713 CH3SO2NH2 methanesulfonamide ch3so2nh2  
714 C4H6O cis-2-butenal butenal2c  
715 C4H6O Cyclobutanone cbutone  
716 C4H6O Furan, 2,3-dihydro- furan23h  
717 C4H6O Furan, 2,5-dihydro- furan25h  
718 CH2CHOCHCH2 Vinyl ether vinylether  
719 CHOCHCHCH3 2-Butenal butenal2  
720 C4H6S Thiophene, 2,3-dihydro- thiop23h  
721 C4H6S Thiophene, 2,5-dihydro- thiop25h  
722 C2H6N2O Urea, methyl- c598505  
723 C3H6O2 1,3-Dioxolane dioxolane  
724 CH3CH2COOH Propanoic Acid propanoic  
725 CH3COOCH3 methyl acetate aame  
726 HCOOC2H5 Ethyl formate faee  
727 C2H6O2S Dimethyl sulfone c67710  
728 CH3SSSCH3 dimethyl trisulfide c2h6s3  
729 C3H7NO dimethylformamide dmf  
730 C3H7NO Propanamide propanam  
731 C2H3OC2H5 Ethene, ethoxy- c109922  
732 C4H8O Cyclobutanol c2919235  
733 C4H8O Furan, tetrahydro- thf  
734 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
735 CH3COCH2CH3 2-Butanone buta2one  
736 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
737 CHOCH2CH2CH3 Butanal butanal  
738 C4H8S Thiophene, tetrahydro- tht  
739 C3H8O2 1,3-Propanediol c504632  
740 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
741 C3H8O2 Methane, dimethoxy- c109875  
742 C3H8O2 Propylene glycol c57556  
743 C3H8S2 1,3-Propanedithiol c109808  
744 C4H10O 1-Butanol butanol1  
745 C4H10O 1-Propanol, 2-methyl- c78831  
746 C4H10O 2-Butanol, (.+/-.)- butanol2  
747 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
748 C4H10O Methyl propyl ether meopr  
749 C4H10O Propane, 2-methoxy- c598538  
750 C4H10O+ 1-Butanol cation butanol1+  
751 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
752 C2H5SC2H5 Diethyl sulfide etset  
753 C4H9SH 1-Butanethiol bush  
754 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
755 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
756 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
757 FNO3 Fluorine nitrate fno3  
758 ClONO2 Chlorine nitrate clono2  
759 BrONO2 Bromine nitrate brono2  
760 TiCl4 Titanium tetrachloride ticl4  
761 ClO4- perchlorate anion clo4-  
762 BF4- tetrafluoroboron anion bf4-  
763 ClFO3 Perchloryl fluoride clfo3  
764 SO2F2 Sulfuryl fluoride so2f2  
765 SO2Cl2 Sulfuryl chloride so2cl2  
766 F3NO Nitrogen trifluoride oxide f3no  
767 F3PO Phosphoryl fluoride pf3o  
768 Cl3PO Phosphoryl chloride pcl3o  
769 CF4 Carbon tetrafluoride cf4  
770 SiF4 Silicon tetrafluoride sif4  
771 TiF4 Titanium tetrafluoride tif4  
772 CFCl3 Trichloromonofluoromethane cfcl3  
773 CCl4+ Carbon tetrachloride cation ccl4+  
774 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
775 SiCl4 Silane, tetrachloro- sicl4  
776 CBrCl2F bromodichlorofluoromethane cbrcl2f  
777 CF3I trifluoroiodomethane cf3i  
778 CBrCl3 Methane, bromotrichloro- cbrcl3  
779 CBr2F2 Methane, dibromodifluoro- cbr2f2  
780 GeCl4 Germanium Tetrachloride gecl4  
781 CBr2ClF dibromochlorofluoromethane cbr2clf  
782 CBr2Cl2 dibromodichloromethane cbr2cl2  
783 CCl3I trichloroiodomethane ccl3i  
784 CFBr3 fluorotribromomethane cfbr3  
785 CFClBrI fluorochlorobromoiodomethane cfclbri  
786 CBr3Cl tribromochloromethane cbr3cl  
787 CF2I2 difluorodiiodomethane cf2i2  
788 CBr4 Carbon tetrabromide cbr4  
789 CCl2I2 dichlorodiiodomethane ccl2i2  
790 SiBr4 Silicon tetrabromide sibr4  
791 CBr3I tribromoiododmethane cbr3i  
792 GeBr4 Germanium tetrabromide gebr4  
793 CI4 tetraiodomethane ci4  
794 SiI4 silicon tetraiodide sii4  
795 ClOF3 Chlorine trifluoride oxide clof3  
796 SeF4 Selenium tetrafluoride sef4  
797 SCl4 Sulfur tetrachloride scl4  
798 C2HF3 Trifluoroethylene c2hf3  
799 C2HF3+ Trifluoroethylene cation c2hf3+  
800 CHClCCl2 Trichloroethylene chclccl2  
801 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
802 HClO4 perchloric acid hclo4  
803 HSO3F Fluorosulfonic acid hso3f  
804 CF3OH trifluoromethanol cf3oh  
805 CHClCCHCl 1,3-dichloroallene chclcchcl  
806 CHCl2CHO dichloroacetaldehyde chcl2cho  
807 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
808 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
809 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
810 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
811 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
812 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
813 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
814 SiCl3CH3 methyltrichlorosilane sicl3ch3  
815 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
816 NH3BCl3 Amminetrichloroboron nh3bcl3  
817 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
818 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
819 C3H5ClO Oxirane, (chloromethyl)- c106898  
820 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
821 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
822 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
823 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
824 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
825 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
826 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
827 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
828 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
829 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
830 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
831 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
832 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
833 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
834 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
835 C4H9F 1-fluorobutane butaf1  
836 CH3CHFCH2CH3 2-fluorobutane butaf2  
837 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
838 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
839 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
840 XeF4 Xenon tetrafluoride xef4  
841 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
842 NH3BF3 Amminetrifluoroboron nh3bf3  
843 C6H2 hexatriyne c6h2  
844 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
845 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
846 C6H4 Benzyne benzyne  
847 C6H5 phenyl phenyl  
848 C6H5- phenyl anion phenyl-  
849 C6H6 Prismane prismane  
850 C6H6 1,2,4,5-Hexatetraene ht1245  
851 C6H6 2,4-Hexadiyne hexadiyne  
852 C6H6 3,4-Dimethylenecyclobutene cb34m  
853 C6H6 Benzvalene bv  
854 C6H6 Dewar Benzene dewar  
855 C6H6 Hexa-1,5-diene-3-yne hdy153  
856 C6H6 Trimethylenecycopropane tmcp  
857 C6H6+ Benzene cation c6h6+  
858 C6H7+ benzene, protonated c6h7+  
859 C6H8 (E)-hexa-1,3,5-triene c821078  
860 C6H8 (E)-hexa-2,3,4-triene c59660650  
861 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
862 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
863 C6H8 1,3-Cyclohexadiene cyhexadiene13  
864 C6H8 1,4-Cyclohexadiene cyhexadiene14  
865 C6H8 3-Methylenecyclopentene c930267  
866 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
867 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
868 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
869 C6H10 1,3-Hexadiene, (E)- hexdi13e  
870 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
871 C6H10 1,4-Hexadiene, (E)- hexdi14t  
872 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
873 C6H10 1,5-Hexadiene c592427  
874 C6H10 1-Butyne, 3,3-dimethyl- c917920  
875 C6H10 1-Hexyne hexyne1  
876 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
877 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
878 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
879 C6H10 2-Hexyne c764352  
880 C6H10 3-Hexyne hexyne3  
881 C6H10 cyclohexene cyclohexene  
882 C6H10 Cyclopentene, 1-methyl- c693890  
883 C6H10 Cyclopentene, 3-methyl- c1120623  
884 C6H10 Cyclopentene, 4-methyl- c1759815  
885 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
886 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
887 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
888 C6H12 (E)-2-Hexene e2hexene  
889 C6H12 (E)-3-methylpent-2-ene c616126  
890 C6H12 (E)-hex-3-ene e3hexene  
891 C6H12 (Z)-3-methylpent-2-ene c922623  
892 C6H12 (Z)-hex-2-ene z2hexene  
893 C6H12 (Z)-hex-3-ene z3hexene  
894 C6H12 2,3-dimethylbut-1-ene c563780  
895 C6H12 2,3-dimethyl-but-2-ene tmeet  
896 C6H12 3-methylenepentane c760214  
897 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
898 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
899 C6H12 Cyclohexane cyclohexane  
900 C6H12 Cyclopentane, methyl- c96377  
901 C6H12 Ethylcyclobutane c4806615  
902 C6H12 hex-1-ene hexene1  
903 C6H14 Butane, 2,2-dimethyl- buta22  
904 C6H14 Butane, 2,3-dimethyl- buta23  
905 C6H14 Hexane hexane  
906 C6H14 Pentane, 2-methyl- penta2  
907 C6H14 Pentane, 3-methyl- penta3  
908 C4N2 2-Butynedinitrile c4n2  
909 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
910 C4H2N2 Fumaronitrile c4h2n2  
911 C2H2N4 sym-tetrazine ttz  
912 C3H3N3 1,3,5-Triazine triazine135  
913 CH3N5 5-Aminotetrazole c4418615  
914 C4H4N2 1,3-Diazine diazine13  
915 C4H4N2 Pyrazine pyrazine  
916 C4H4N2 Pyridazine pyridazine  
917 C4H4N2 Succinonitrile c110612  
918 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
919 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
920 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
921 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
922 C5H5N E-2,4-pentadienenitrile bdcn  
923 C5H5N Pyridine pyridine  
924 B3N3H6 borazine borazine  
925 C6H6 Fulvene fulvene  
926 C5H6N+ Pyridinium c5h6n  
927 C4H6N2 1H-Imidazole, 2-methyl- c693981  
928 C5H7N (E)-2-Pentenenitrile c26294984  
929 C5H7N (E)-3-Pentenenitrile c16529661  
930 C5H7N (Z)-2-Pentenenitrile c25899507  
931 C5H7N 1H-Pyrrole, 1-methyl- c96548  
932 C5H7N Cyclobutanecarbonitrile c4426113  
933 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
934 C5H9N Butanenitrile, 2-methyl- c18936179  
935 C5H9N Pentanenitrile c110598  
936 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
937 C6H10 Bicyclo[3.1.0]hexane c285585  
938 C5H11N Cyclopentanamine cypentam  
939 C5H11N Piperidine piper  
940 C4H12N2 1,2-Butanediamine c4426486  
941 C4H12N2 2-Methyl-1,2-propanediamine c811938  
942 Li2CO3 Lithium Carbonate li2co3  
943 Na2CO3 Sodium Carbonate na2co3  
944 C2O4-- oxalate anion c2o4  
945 MgSO4 Magnesium Sulfate mgso4  
946 N2O4 Dinitrogen tetroxide n2o4  
947 C2H2O4 Oxalic Acid oxalic  
948 C2H3NO3 Oxamic acid oxamic  
949 C4H4O2 2(5H)-Furanone furanone  
950 C4H4O2 2-Oxetanone, 4-methylene- c674828  
951 C2H4N2O2 Oxalamide oxalamide  
952 C2H4N2S2 Ethanedithioamide c79403  
953 C2H4CO3 Ethylene carbonate etco3  
954 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
955 C3H4S3 1,3-Dithiolane-2-thione c822388  
956 C4H5NO 3-Methylisoxazole isox3m  
957 C4H5NO Isoxazole, 5-methyl- c5765446  
958 C4H5NS 4-Methylthiazole c693958  
959 C2H5NO3 Nitric acid, ethyl ester c625581  
960 C5H6O 2-methylfuran furan2m  
961 C5H6O 3-Methylfuran furan3m  
962 C5H6O Pentadienal pdal  
963 C5H6S Thiophene, 2-methyl- c554143  
964 C5H6S Thiophene, 3-methyl- c616444  
965 C4H6O2 2,3-Butanedione c431038  
966 C4H6O2 2-Propenoic acid, methyl ester c96333  
967 C4H6O2 Crotonic Acid crot  
968 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
969 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
970 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
971 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
972 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
973 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
974 C4H6OS Vinyl sulfoxide c1115157  
975 CH6N4S Carbonothioic dihydrazide thiacarb  
976 C2H6N2O2 (E)-Azodioxymethane c37765154  
977 C2H6N2O2 Dimethylnitroamine c4164287  
978 C3H6S3 1,3,5-Trithiane c3h6s3  
979 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
980 C2H6O3S Sulfurous acid, dimethyl ester c616422  
981 C4H7NO 2-Pyrrolidinone c616455  
982 C4H7NO Ethoxyacetonitrile etoaccn  
983 C4H7NO Methacrylamide c79390  
984 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
985 HCONH2CN2H4 formamide aminomethanimine dimer d13  
986 C3H7ONO Propyl nitrite prono  
987 CH3CH(CH3)ONO Isopropyl nitrite c541424  
988 CH3CH(NH2)COOH Alanine alanine  
989 CH3NHCH2COOH Sarcosine sarcosine  
990 NH2CH2CH2COOH β–alanine betaalanine  
991 NH2COOC2H5 Urethane urethane  
992 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
993 C5H8O Cyclopentanone c120923  
994 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
995 C5H8O Methyl cyclopropyl ketone c765435  
996 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
997 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
998 NH2CONHC2H5 Urea, ethyl- c625525  
999 C4H8O2 1,3-Dioxane dioxan13  
1000 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1001 C4H8O2 1,4-Dioxane dioxan14  
1002 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1003 C4H8OS s-Ethyl thioacetate c625605  
1004 C3H8O3 1,2,3-Propanetriol glycerin  
1005 C3H8O2S (Methylsulfonyl)ethane c594434  
1006 C4H9NO Butanamide c541355  
1007 C4H9NO Propanamide, 2-methyl- c563837  
1008 C5H10O 2-Butanone, 3-methyl- c563804  
1009 C5H10O 2H-Pyran, tetrahydro- c142687  
1010 C5H10O 2-methylbutyraldehyde 2meba  
1011 C5H10O 2-Pentanone mpk  
1012 C5H10O 3-Pentanone dek  
1013 C5H10O Cyclopentanol c96413  
1014 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1015 C5H10O Pentanal pal  
1016 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1017 C5H10S 3-Ethylthio-1-propene c5296628  
1018 C5H10S Cyclopentanethiol c1679078  
1019 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1020 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1021 C4H10O2 1,1-Dimethoxyethane c534156  
1022 C4H10O2 1,3-Butanediol budiol13  
1023 C4H10O2 1,4-Butanediol budiol14  
1024 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1025 C4H10OS Diethyl sulfoxide c70291  
1026 C4H10S2 1,4-Butanedithiol budisl14  
1027 C4H11NO Diethylhydroxylamine c3710847  
1028 C5H12O 1-Butanol, 2-methyl- c137326  
1029 C5H12O 1-Butanol, 3-methyl- c123513  
1030 C5H12O 1-Pentanol pentanol1  
1031 C5H12O 2-Butanol, 3-methyl- c598754  
1032 C5H12O 2-Pentanol peol2  
1033 C5H12O 3-Pentanol pentan3ol  
1034 C5H12O Butane, 1-methoxy- meobu  
1035 C5H12O Propane, 1-ethoxy- proet  
1036 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1037 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1038 C5H12S 1-Butanethiol, 3-methyl- c541311  
1039 C5H12S 1-Pentanethiol c110667  
1040 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1041 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1042 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1043 C5H12S Butane, 1-(methylthio)- c628295  
1044 C5H12S Ethyl propyl sulfide c4110503  
1045 C5H12S Propane, 2-(ethylthio)- c5145993  
1046 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1047 C4F2 difluorobutadiyne c4f2  
1048 ClCOClCO Oxalyl chloride oxcl  
1049 CF3CN Acetonitrile, trifluoro- cf3cn  
1050 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1051 B2F4 Diboron tetrafluoride b2f4  
1052 B2Cl4 Diboron tetrachloride b2cl4  
1053 C2F4 Tetrafluoroethylene c2f4  
1054 C2F4+ Tetrafluoroethylene cation c2f4+  
1055 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1056 CF2CCl2 difluorodichloroethylene cf2ccl2  
1057 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1058 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1059 C2FCl3 fluorotrichloroethene c2fcl3  
1060 C2Cl4 Tetrachloroethylene c2cl4  
1061 C2Br4 tetrabromoethene c2br4  
1062 CF3OF Trifluoromethylhypofluorite cf3of  
1063 SiF5- silicon pentafluoride anion sif5-  
1064 SOF4 Sulfur tetrafluoride oxide sof4  
1065 AsF5 Arsenic pentafluoride asf5  
1066 PCl5 Phosphorus pentachloride pcl5  
1067 SF5 Sulfur pentafluoride sf5  
1068 SF5+ pentafluoro sulfur cation sf5+  
1069 SbCl5 Antimony pentachloride sbcl5  
1070 BrF5 bromine pentafluoride brf5  
1071 ClF5 chlorinepentafluoride clf5  
1072 IF5 pentafluoroiodine if5  
1073 CF3CHO trifluoroacetaldehyde cf3cho  
1074 CCl3CHO trichloroacetaldehyde ccl3cho  
1075 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1076 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1077 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1078 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1079 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1080 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1081 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1082 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1083 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1084 CF3COOH trifluoroacetic acid cf3cooh  
1085 C4H3ClO Furan, 2-chloro fur2cl  
1086 C4H3ClO Furan,3-chloro fur3cl  
1087 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1088 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1089 C4H8Cl2 1,4-Dichlorobutane c110565  
1090 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1091 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1092 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1093 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1094 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1095 C5H11Cl Pentane, 1-chloro- pencl1  
1096 C4H8O2 Butanoic acid bua  
1097 C6H5CH2 benzyl radical benzyl  
1098 C7H7 cycloheptatrienyl radical c7h7  
1099 C7H7+ cycloheptatrienyl cation c7h7+  
1100 C6H5CH3 toluene toluene  
1101 C7H8 cycloheptatriene cht  
1102 C7H8 Norbornadiene norbor  
1103 C7H8 Quadricyclane qucy  
1104 C7H12 Norbornane nor  
1105 C7H14 cycloheptane c7h14  
1106 C7H16 2-methylhexane 2mhex  
1107 C7H16 3-methylhexane hex3m  
1108 C7H16 heptane heptane  
1109 CH(CN)3 tricyanomethane mecn3  
1110 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1111 C6H7N 2-Methylpyridine mp  
1112 C6H5NH2 aniline aniline  
1113 C6H13N 2-Methylpiperidine pip2m  
1114 C6H13N cyclohexanamine cham  
1115 C6H15N triethylamine tea  
1116 N2O5 Dinitrogen pentoxide n2o5  
1117 C4H2O3 Maleic Anhydride malan  
1118 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1119 C6H5O phenoxy radical phenoxy  
1120 C5H5NO 2(1H)-Pyridinone c72762006  
1121 C5H5NO 2(3H)-Pyridinone c9000048  
1122 C5H5NO 2(5H)-Pyridinone c9000037  
1123 C5H5NO 2-Pyridinol c109104  
1124 C5H5NO 3(2H)-Pyridinone c9000004  
1125 C5H5NO 3(4H)-Pyridinone c9000026  
1126 C5H5NO 3(6H)-Pyridinone c9000015  
1127 C5H5NO 3-Pyridinol c109002  
1128 C5H5NO 4(1H)-Pryidinone c9000060  
1129 C5H5NO 4(3H)-Pryidinone c9000059  
1130 C5H5NO 4-Pyridinol c626642  
1131 C6H5OH phenol phenol  
1132 C6H6O 2,4-Cyclohexadienone c24599573  
1133 C6H6O 2,5-Cyclohexadienone c5664335  
1134 C6H5SH Benzenethiol phsh  
1135 HO2CCHNH2CH2OH Serine serine  
1136 C5H8O2 Acetylacetone acac  
1137 C4H8O2S Sulfolane sulfolane  
1138 C7H10 Norbornene norbornene  
1139 CH(C2H3)3 trivinyl methane tvm  
1140 C6H10O cyclohexanone chexo  
1141 C6H12O hexanal c6h12o  
1142 C3H7OC3H7 di-n-propyl ether propr  
1143 F2CCCF2 tetrafluoroallene pfa  
1144 CF3COO- trifluoro acetate anion cf3coo-  
1145 CF3COF trifluoroacetyl fluoride cf3cof  
1146 CF3COCl trifluoroacetyl chloride cf3cocl  
1147 PF6 Hexafluorophosphate neutral pf6  
1148 PF6- Hexafluorophosphate ion pf6-  
1149 SeF6 Selenium hexafluoride sef6  
1150 SF5Cl sulfur chloropentafluoride sf5cl  
1151 CF3CHF2 pentafluoroethane cf3chf2  
1152 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1153 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1154 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1155 CCl3CHCl2 pentachloroethane ccl3chcl2  
1156 C6H5F Fluorobenzene bzf  
1157 C6H5Cl chlorobenzene bzcl  
1158 C6H5Br bromobenzene bzbr  
1159 C8H6 Calicene calicene  
1160 C6H5CCH phenylacetylene phac  
1161 C8H6 benzocyclobutadiene bcbd  
1162 C8H6 Pentalene pentalene  
1163 C6H5CHCH2 Styrene styrene  
1164 C8H8 cyclooctatetraene cot  
1165 C6H5CH2CH3 Ethylbenzene etbz  
1166 CH3C6H4CH3 meta-xylene mxylene  
1167 CH3C6H4CH3 paraxylene pxylene  
1168 C8H14 Bicyclo[2.2.2]octane bico222  
1169 C8H16 cyclooctane cyclooct  
1170 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1171 C8H18 Octane c8h18  
1172 C6H5CN phenyl cyanide phcn  
1173 C6H12N2 Triethylenediamine ted  
1174 C4O4-- squarate dianion c4o4--  
1175 S4N4 Tetrasulfur tetranitride s4n4  
1176 S8 Octasulfur s8  
1177 C6H4O2 parabenzoquinone pbq  
1178 C4H4N2O2 Uracil uracil  
1179 C6H5OCH3 Anisole anisole  
1180 C5H9NO2 Proline proline  
1181 C6H12O2 Methyl pivalate c598981  
1182 C6H12O2 Hexanoic acid hexa  
1183 C4F4 tetrafluorcyclobutadiene c4f4  
1184 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1185 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1186 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1187 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1188 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1189 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1190 C2F6 hexafluoroethane c2f6  
1191 C2Cl6 hexachloroethane c2cl6  
1192 IF7 Iodine heptafluoride if7  
1193 C6H4F2 metadifluorobenzene mdfb  
1194 C6H4F2 orthodifluorobenzene odfb  
1195 C6H4F2 1,4-difluorobenzene pdfb  
1196 C6H4Cl2 1,2-dichlorobenzene dcb12  
1197 C6H4Cl2 1,3-dichlorobenzene dcb13  
1198 C6H4Cl2 1,4-dichlorobenzene dcb14  
1199 C6H5NO nitrosobenzene bzno  
1200 C9H8 Indene indene  
1201 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1202 C9H12 n-propyl benzene prbz  
1203 C9H20 Nonane nonane  
1204 C(CN)4 tetracyanomethane c5n4  
1205 C5H4N4 purine purine  
1206 C8H7N Indole indole  
1207 C3H3N3O3 cyanuric acid cyanuric  
1208 C6H5NO2 Nitrobenzene c6h5no2  
1209 C6H5COOH benzoic acid benzo  
1210 CH3COC6H5 acetophenone acph  
1211 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1212 C3F6 hexafluoropropene c3f6  
1213 C6H3F3 Benzene trifluoride 123 bzf3a  
1214 C8H18O 1-Octanol octanol  
1215 C10H8 Azulene azu  
1216 C10H8 naphthalene naph  
1217 C10H10 bullvalene bullv  
1218 C10H16 adamantane adamantane  
1219 C6N4 Tetracyanoethylene tcne  
1220 C6N4- tetracyanoethylene anion tcne-  
1221 C10H22 Decane decane  
1222 C4F6 perfluorobutadiene c4f6  
1223 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1224 C3F8 perfluoropropane c3f8  
1225 Fe(CO)5 Iron pentacarbonyl ipc  
1226 Fe(C5H5)2 ferrocene fecp2  
1227 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1228 C12H8 Acenaphthylene acenaph  
1229 C12H8 biphenylene biph  
1230 C12H10 biphenyl biphenyl  
1231 C12H10 Heptalene heptalene  
1232 C6H12O6 Inositol inositol  
1233 C6F6 hexafluorobenzene c6f6  
1234 S2F10 disulphur decafluoride s2f10  
1235 C14H10 Anthracene anth  
1236 C14H10 Phenanthrene phenanthrene  
1237 C14H14 Bibenzyl bibenzyl  
1238 C12H10N2 azobenzene azobenzene  
1239 C6H5COC6H5 benzophenone benzophenone  
1240 C16H10 Pyrene pyrene  
1241 C18H12 Tetracene tetracene  
1242 C19H16 Triphenylmethane tpm  
1243 C24H12 Coronene coronene  
1244 C60 Buckminsterfullerene c60