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List of which calculations are completed at MP2=FULL /aug-cc-pVQZ

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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 anion 1SKh
16 Na+ Sodium atom cation 1SKh
17 LiH Lithium Hydride 1ΣC∞v
18 LiH- lithium hydride anion 2ΣC∞v
19 LiH+ lithium hydride cation 2ΣC∞v
20 NaH sodium hydride 1ΣC∞v
21 NaH+ sodium hydride cation 2ΣC∞v
22 Be Beryllium atom 1SKh
23 Be- Beryllium atom anion 2PKh
24 Be+ Beryllium atom cation 2SKh
25 Mg Magnesium atom 1SKh
26 Mg- Magnesium atom anion 2PKh
27 Mg+ Magnesium atom cation 2SKh
28 BeH beryllium monohydride 2ΣC∞v
29 BeH- berylium monohydride anion 1ΣC∞v
30 BeH+ beryllium monohydride cation 1ΣC∞v
31 MgH magnesium monohydride 2ΣC∞v
32 MgH- magnesium monohydride anion 1ΣC∞v
33 MgH+ magnesium monohydride cation 1ΣC∞v
34 TiH Titanium monohydride 4ΦC∞v
35 ZnH+ Zinc, protonated   
36 BeH2 beryllium dihydride 1ΣgD∞h
37 BeH2+ Beryllium dihydride cation 2ΣC∞v
38 BeH2+ Beryllium dihydride cation 2ΣuD∞h
39 BeH2+ Beryllium dihydride cation   
40 MgH2 magnesium dihydride 1ΣgD∞h
41 B Boron atom 2PKh
42 B Boron atom 4PKh
43 B- Boron atom anion 3PKh
44 B+ Boron atom cation 1SKh
45 Al Aluminum atom 2PKh
46 Al- Aluminum atom anion 3PKh
47 Al+ Aluminum atom cation 1SKh
48 Sc Scandium atom 2DKh
49 Sc+ Scandium cation 3DKh
50 Ga Gallium atom 2P 
51 Ga- Gallium atom anion 3POh
52 Ga+ Gallium atom cation 1S 
53 BH Boron monohydride 1ΣC∞v
54 BH Boron monohydride 3ΠC∞v
55 BH- boron monohydride anion 2ΠC∞v
56 BH- boron monohydride anion 4ΣC∞v
57 BH+ boron monohydride cation 2ΣC∞v
58 AlH- aluminum monohydride anion 2ΠC∞v
59 AlH+ aluminum monohydride cation 2ΣC∞v
60 ScH Scandium monohydride 1ΣC∞v
61 GaH Gallium monohydride 1ΣC∞v
62 GaH+ Gallium monohydride cation 2ΣC∞v
63 BH2- boron dihydride anion 3B1C2v
64 BH2- boron dihydride anion 1A1C2v
65 BH2+ Boron dihydride cation 1ΣgD∞h
66 BH3 boron trihydride 1A1'D3h
67 BH3- boron trihydride anion 2A2"D3h
68 BH3+ boron trihydride cation 2B2C2v
69 BH3+ boron trihydride cation  C2v
70 AlH3 aluminum trihydride 1A1'D3h
71 AlH3- aluminum trihydride anion  C3v
72 AlH3+ aluminum trihydride cation 2A1C2v
73 ScH3 Scandium trihydride 1A1'D3h
74 ScH3 Scandium trihydride 1A1C3v
75 GaH3 Gallium trihydride 1A1'D3h
76 BH4 borohydride 2B2C2v
77 BH4- borohydride anion 1A1Td
78 C Carbon atom 3P0Kh
79 C Carbon atom 3P1Kh
80 C- Carbon atom anion 4SKh
81 C- Carbon atom anion 2DKh
82 C+ Carbon atom cation 2PKh
83 Si Silicon atom 3PKh
84 Si Silicon atom 1SKh
85 Si- Silicon atom anion 4SKh
86 Si+ Silicon atom cation 2PKh
87 Ge Germanium atom 3PKh
88 Ge- Germanium anion 4SKh
89 Ge+ Germanium cation 2PKh
90 CH Methylidyne 2Π1/2C∞v
91 CH Methylidyne 4Σ-C∞v
92 CH- methylidyne anion 3ΣC∞v
93 CH+ Methylidyne cation 1ΣC∞v
94 SiH Silylidyne 2ΠC∞v
95 SiH- silicon monohydride anion 3ΣC∞v
96 SiH+ silicon monohydride cation 1ΣC∞v
97 GeH germylidene 2ΠC∞v
98 GeH+ Germaniun monohyrdide cation 1ΣC∞v
99 CH2 Methylene 3B1C2v
100 CH2 Methylene 3ΣGD∞h
101 CH2 Methylene 1A1C2v
102 CH2- methylene anion 2B1C2v
103 CH2+ methylene cation 2A1C2v
104 CH2+ methylene cation 2ΠD∞h
105 SiH2 silicon dihydride 3B1C2v
106 GeH2 germylene 1A1C2v
107 GeH2- germylene anion 2B1C2v
108 CH3 Methyl radical 2A1D3h
109 CH3- methyl anion 1A1C3v
110 CH3+ methyl cation 1A1'D3h
111 SiH3 Silyl radical 2A1C3v
112 SiH3+ Silyl cation 1A1'D3h
113 GeH3 Germyl radical 2A1C3v
114 GeH3+ germyl cation 1A1'D3h
115 CD4 methane-d4 1A1Td
116 CH2D2 methane-d2 1A1C2v
117 CH3D methane-d 1A1C3v
118 CH4 Methane 1A1Td
119 CH4+ Methane cation 2B1C2v
120 CH4+ Methane cation 2T2Td
121 CH4+ Methane cation 2B2D2d
122 CHD3 methane-d3 1A1C3v
123 SiH2D2 silane-d2   
124 SiH4 Silane 1A1Td
125 GeH4 Germane 1A1Td
126 SiH5+ Silane, protonated   
127 N Nitrogen atom 4SKh
128 N Nitrogen atom 2DKh
129 N- Nitrogen atom anion 3SKh
130 N+ Nitrogen atom cation 3PKh
131 P Phosphorus atom 4SKh
132 P- Phosphorus atom anion 3PKh
133 P+ Phosphorus atom cation 3PKh
134 V Vanadium atom 4FKh
135 V+ Vanadium atom cation 5DKh
136 As Arsenic atomic 4SKh
137 As- Arsenic anion 3PKh
138 As+ Arsenic cation 3PKh
139 NH- Imidogen anion 2ΠC∞v
140 NH+ imidogen cation 2ΠC∞v
141 PH phosphorus monohydride 3Σ-C∞v
142 PH phosphorus monohydride 1ΔC∞v
143 PH- phosphorus monohydride anion 2ΠC∞v
144 PH+ phosphorus monohydride cation 2ΠC∞v
145 AsH Arsenic monohydride 3ΣC∞v
146 AsH Arsenic monohydride 1ΣC∞v
147 AsH+ Arsenic monohydride cation 2ΠC∞v
148 NH2 Amino radical 2B1C2v
149 NH2- amino anion 1A1C2v
150 NH2+ Amino cation 3B1C2v
151 NH2+ Amino cation 1A1C2v
152 AsH2 Arsenic dihydride 2A1C2v
153 AsH2+ Arsenic dihydride cation 1A1C2v
154 NH3 Ammonia 1A1C3v
155 NH3- Ammonia anion 2A1C3v
156 NH3+ ammonia cation 2A2"D3h
157 PH3 Phosphine 1A1C3v
158 PH3+ Phosphine cation 2A1C3v
159 AsH3 Arsine 1A1C3v
160 AsH3+ Arsine cation 2A1C3v
161 AsH4+ Arsonium   
162 NH4 Ammonium radical   
163 NH4+ ammonium cation 1A1Td
164 PH4 Phosphoranyl radical   
165 PH4+ phosphonium cation   
166 O Oxygen atom 3SKh
167 O- Oxygen atom anion 2PKh
168 O+ Oxygen atom cation 4SKh
169 S Sulfur atom 3PKh
170 S Sulfur atom   
171 S- Sulfur atom anion 2PKh
172 S+ Sulfur atom cation 4SKh
173 Se Selenium atom 3PKh
174 Se- Selenium atom anion 2PKh
175 Se+ Selenium atom cation 4SKh
176 OH Hydroxyl radical 2ΠC∞v
177 OH- hydroxide anion 1ΣC∞v
178 OH+ hydoxyl cation 3ΣC∞v
179 OH+ hydoxyl cation 1ΣC∞v
180 HS Mercapto radical 2ΠC∞v
181 HS- mercapto anion 1ΣC∞v
182 HS+ sulfur monohydride cation 3ΣC∞v
183 CrH+ Chromium hydride cation 5ΣC∞v
184 HSe Selenium monohydride 2ΠC∞v
185 HSe- selenium monohydride anion 1ΣC∞v
186 HSe+ selenium monohydride cation 3ΣC∞v
187 H2O Water 1A1C2v
188 H2O- water anion 2A1C2v
189 H2O- water anion 2A'Cs
190 H2O+ water cation 2B1C2v
191 HDO Water-d1 1A1C2v
192 H2S Hydrogen sulfide 1A1C2v
193 H2S- Hydrogen sulfide anion 2A'Cs
194 H2S+ Hydrogen sulfide cation 2B1C2v
195 H2Se Hydrogen selenide 1A1C2v
196 H2Se+ Hydrogen selenide cation 2B1C2v
197 H3O+ hydronium cation 1A1C3v
198 H3S+ Sulfonium cation 1A1C3v
199 H3Se+ Hydrogen Selenide, protonated 1A1C3v
200 F Fluorine atom 2PKh
201 F- Fluorine atom anion 1SKh
202 F+ Fluorine atom cation 3SKh
203 F+ Fluorine atom cation 1DKh
204 Cl Chlorine atom 2PKh
205 Cl- Chlorine atom anion 1SKh
206 Cl+ Chlorine atom cation 3PKh
207 Cl+ Chlorine atom cation 1DKh
208 Br Bromine atom 2PKh
209 Br- Bromine atom anion 1SKh
210 Br+ Bromine atom cation 3PKh
211 DF Hydrofluoric acid-d 1ΣC∞v
212 HF Hydrogen fluoride 1ΣC∞v
213 HF- hydrogen fluoride anion 2ΣC∞v
214 HF+ hydrogen fluoride cation 2ΠC∞v
215 HCl Hydrogen chloride 1ΣC∞v
216 HCl- hydrogen chloride anion 2ΣC∞v
217 HCl+ hydrogen chloride cation 2ΠC∞v
218 HBr hydrogen bromide 1ΣC∞v
219 HBr- hydrogen bromide anion 2ΣC∞v
220 HBr+ hydrogen bromide cation 2ΠC∞v
221 H2Cl+ dihydrogen monochloride cation 1A1C2v
222 H2Br+ protonated hydrogen bromide 2A1C2v
223 Ne Neon atom 1SKh
224 Ne Neon atom   
225 Ne- Neon atom anion 2SKh
226 Ne+ Neon atom cation 2PKh
227 Ar Argon atom 1SKh
228 Ar- Argon atom anion 2SKh
229 Ar+ Argon atom cation 2PKh
230 Kr Krypton atom 1SKh
231 Kr+ Krypton cation 2PKh
232 HeLi+ Helium Lithium cation   
233 NeH neon hydrogen 2ΣC∞v
234 NeH+ neon hydrogen cation 1ΣC∞v
235 ArH+ Argon hydride cation 1ΣC∞v
236 KrH+ Protonated Krypton 1ΣC∞v
237 H2Ar H2 Ar dimer 1ΣC∞v
238 Li2 Lithium diatomic 1ΣgD∞v
239 Li2- lithium diatomic anion 2ΣuD∞h
240 Li2+ lithium diatomic cation 2ΣgD∞h
241 NaLi lithium sodium 1ΣC∞v
242 Na2 Sodium diatomic 1ΣgD∞h
243 Na2- sodium diatomic anion 2ΣuD∞h
244 Na2+ sodium diatomic cation 2ΣgD∞h
245 LiBe Lithium Beryllium 2ΣC∞v
246 LiMg Lithium magnesium 2ΣC∞v
247 NaBe Sodium Beryllium 2ΣC∞v
248 NaMg Sodium Magnesium 2ΣC∞v
249 Be2 Beryllium diatomic 1ΣgD∞h
250 Be2 Beryllium diatomic 3ΠgD∞h
251 Be2- Beryllium diatomic anion 2ΠuD∞h
252 Be2+ Beryllium diatomic cation 2ΣuD∞h
253 BeMg Beryllium Magnesium 1ΣC∞v
254 Mg2 Magnesium diatomic 1ΣgD∞h
255 Mg2- magnesium diatomic anion 2ΠUD∞h
256 Mg2+ magnesium diatomic cation 2ΣuD∞h
257 LiB Lithium boride 3ΠC∞v
258 LiAl Lithium Aluminum   
259 NaAl Sodium aluminum 1ΣC∞v
260 BeB Beryllium monoboride 2ΠC∞v
261 B2 Boron diatomic 3ΣgD∞h
262 B2 Boron diatomic 1ΣgD∞h
263 B2 Boron diatomic 5ΣuD∞h
264 B2- Boron diatomic anion 4ΣgD∞h
265 B2+ Boron diatomic cation 2ΠD∞h
266 BAl Boron Aluminum 3ΣC∞v
267 BGa Boron Gallium 3ΣC∞v
268 AlGa Aluminum Gallium 3ΣC∞v
269 AlGa Aluminum Gallium 1ΣC∞v
270 Ga2 Gallium diatomic 3Piu 
271 HBBH Diborane(2) 3ΣGD∞h
272 LiBH4 Lithium borohydride 1A1C3v
273 B2H4 Diborane(4) D2d 1A1D2d
274 HBHHBH Diborane(4) C2V 1A1C2v
275 B2H6 Diborane 1AgD2h
276 B2H6+ Diborane cation   
277 Al2H6 dialane 1AGD2h
278 Ga2H6 digallane 1AGD2h
279 LiC Lithium Carbide 4ΣC∞v
280 BeC Beryllium Carbide 3Σ-C∞v
281 BeC Beryllium Carbide   
282 BC boron monocarbide 4Σ-C∞v
283 AlC Aluminum carbide 4ΣC∞v
284 BSi Boron silicide 4ΣC∞v
285 BSi Boron silicide 2ΣC∞v
286 C2 Carbon diatomic 1Σg+D∞h
287 C2 Carbon diatomic 3ΠuD∞h
288 C2- carbon diatomic anion 2ΣgD∞h
289 C2+ carbon diatomic cation 4ΣgD∞h
290 C2+ carbon diatomic cation 2ΠD∞h
291 SiC silicon monocarbide 3ΣC∞v
292 SiC silicon monocarbide 1ΣC∞v
293 Si2- silcon diatomic anion 2ΣgD∞h
294 Si2+ silcon diatomic cation 2ΠD∞h
295 GeC Germanium monocarbide 1ΣC∞v
296 SiGe Silicon Germanium   
297 C2H Ethynyl radical 2ΣC∞v
298 C2H- Ethynyl anion 1ΣC∞v
299 C2H+ Ethynyl cation 3ΠC∞v
300 C2H2 Acetylene 1ΣgD∞h
301 C2H2+ acetylene cation 2ΠuD∞h
302 C2H2+ acetylene cation   
303 CCH2 vinylidene 3B2C2v
304 H2CC- vinylidene anion   
305 HCCH- acetylene anion   
306 HCCH- acetylene anion   
307 Si2H2 disilyne   
308 Si2H2 disilyne   
309 Si2H2 disilyne   
310 Si2H2 disilyne   
311 CH3Li methyl lithium 1A1C3v
312 CH2BH methyleneborane 1A1C2v
313 C2H3 vinyl 2A'Cs
314 C2H3- vinyl anion 1A'Cs
315 C2H3+ vinyl cation 1A1C2V bridging H
316 C2H3+ vinyl cation 1A1C2V HCCH2
317 C2H4 Ethylene 1AgD2h
318 C2H4- Ethylene anion 2AgC2h
319 C2H4+ Ethylene cation 2B3uD2h
320 C2H4+ Ethylene cation 2B3D2
321 CH3CH methylmethylene 3A"Cs
322 Si2H4 Disilene   
323 Si2H4 Disilene   
324 Si2H4 Disilene   
325 CH3BH2 methylborane 1A'Cs
326 C2H5 Ethyl radical 2A'Cs
327 C2H5- Ethyl anion 1A'Cs
328 C2H6 Ethane 1A1gD3d
329 C2H6 Ethane 1A1'D3h
330 C2H6+ ethane cation 2BgC2h
331 C2H6+ ethane cation 2AgCi
332 Si2H6 disilane 1EuD3d
333 C2H7+ Ethane, protonated 1AC2
334 LiN Lithium Nitride 3ΣC∞v
335 LiN Lithium Nitride 1ΣC∞v
336 LiN+ Lithium Nitride cation 4ΣC∞v
337 LiP Lithium monophosphide   
338 LiP Lithium monophosphide   
339 BeN Beryllium mononitride 4ΣC∞v
340 BeN Beryllium mononitride 2ΠC∞v
341 BeN+ Beryllium mononitride cation 3ΣC∞v
342 BeN+ Beryllium mononitride cation 1ΣC∞v
343 MgN Magnesium Nitride   
344 MgN Magnesium Nitride   
345 BN- boron nitride anion 2ΣC∞v
346 BP Boron monophosphide 3ΠC∞v
347 BP Boron monophosphide 1ΣC∞v
348 AlP Aluminum monophosphide 3ΣC∞v
349 AlP Aluminum monophosphide 3ΠC∞v
350 AlP Aluminum monophosphide 1ΣC∞v
351 GaN Gallium mononitride 3ΠC∞v
352 GaN Gallium mononitride 1ΣC∞v
353 GaP Gallium monophosphide 3ΣC∞v
354 GaP Gallium monophosphide 1ΣC∞v
355 GaAs Gallium arsenide 3Π 
356 GaAs Gallium arsenide 1Σ 
357 BN boron nitride 3ΠC∞v
358 BN boron nitride 1ΣC∞v
359 BN+ boron nitride cation 2ΠC∞v
360 CN Cyano radical 2ΣC∞v
361 CN- cyanide anion 1ΣC∞v
362 CN+ Cyano cation 1ΣC∞v
363 SiN- silicon mononitride anion 1ΣC∞v
364 SiN+ silicon mononitride cation 3ΠC∞v
365 SiP Silicon monophosphide 2ΠC∞v
366 N2 Nitrogen diatomic 1ΣgD∞h
367 N2 Nitrogen diatomic   
368 N2- nitrogen diatomic anion 2ΠgD∞h
369 N2+ diatomic nitrogen cation 2ΣgD∞h
370 PN Phosphorus mononitride 1ΣC∞v
371 PN- phosphorus nitride anion 2ΠC∞v
372 PN+ phosphorus nitride cation 2ΠC∞v
373 P2 Phosphorus diatomic 1ΣgD∞h
374 P2- phosphorus diatomic anion 2ΠgD∞h
375 P2+ phosphorus diatomic cation 2ΠUD∞h
376 AsN Arsenic mononitride 1ΣC∞v
377 AsP Arsenic monophosphide 1ΣC∞v
378 HCN Hydrogen cyanide 1ΣC∞v
379 HCN- Hydrogen cyanide anion 2A'Cs
380 HCN+ hydrogen cyanide cation 2ΠC∞v
381 HNC+ hydrogen isocyanide cation   
382 HCP+ Phosphaethyne cation   
383 NNH+ Dinitrogen monohydride cation 1ΣC∞v
384 LiNH2 lithium amide   
385 HBNH Boranimine 1ΣC∞v
386 CNH2 Aminomethylidyne radical 2B2C2v
387 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
388 H2CN Dihydrogen cyanide radical 2B2C2v
389 HCNH methyleneazane 2A'CS cis
390 HCNH methyleneazane 2A'CS trans
391 HCNH+ N-protonated HCN 1ΣC∞v
392 H2NN Isodiazene   
393 N2H2 (E)-diazene 1AgC2h
394 N2H2 (Z)-Diazene 1A1C2v
395 N2H2+ trans-diazene cation 2AGC2h
396 CH2NH Methanimine 1A'Cs
397 CH2NH+ Methanimine cation   
398 CHNH2 aminomethylene   
399 CHNH2+ Aminocarbene cation   
400 CH2PH Phosphaethene 1A'Cs
401 BH2NH2 Boranamine   
402 CH2NH2+ methyleneamine cation 1A1C2v
403 N2H4 Hydrazine 1AC2
404 N2H4+ hydrazine cation 2AGC2h
405 CH3NH2 methyl amine 1A'Cs
406 CH3NH2+ methyl amine cation 2A'Cs
407 SiH3NH2 Silane, amino   
408 N2H5+ protonated hydrazine 1A'Cs
409 BH3PH3 borane phosphine   
410 BH3NH3 borane ammonia 1A1C3v
411 CH3NH3 methyl ammonium radical 2A1C3v
412 CH3NH3+ protonated methylamine 1A1C3v
413 CH3PH3+ methyl phosphine, protonated 1A1C3v
414 NH3NH3 Ammonia Dimer 1AgC2h
415 NH3NH3 Ammonia Dimer 1A'Cs
416 N2H7+ ammonia ammonium dimer   
417 LiO lithium oxide 2ΣC∞v
418 LiO- lithium oxide anion 3ΣC∞v
419 LiS Lithium monosulfide 2ΠC∞v
420 LiS+ Lithium sulfide cation 3ΣC∞v
421 NaO sodium monoxide 2ΣC∞v
422 NaS Sodium sulfide 2ΠC∞v
423 LiSe Lithium monoselenide   
424 BeO beryllium oxide 1ΣC∞v
425 BeO- Beryllium monoxide anion 2ΣC∞v
426 BeO+ Beryllium monoxide cation 2ΠC∞v
427 MgO- magnesium oxide anion 2ΣC∞v
428 MgO+ magnesium oxide cation 2ΠC∞v
429 MgS- magnesium sulfide anion 2ΣC∞v
430 MgS+ magnesium sulfide cation 2ΠC∞v
431 BO boron monoxide 2ΣC∞v
432 BO- boron monoxide anion 1ΣC∞v
433 ScO Scandium monoxide 2ΣC∞v
434 GaO Gallium monoxide 2ΣC∞v
435 GaS Gallium monosulfide   
436 BO+ boron monoxide cation 1ΣC∞v
437 CO Carbon monoxide 1ΣC∞v
438 CO Carbon monoxide 3ΠC∞v
439 CO- carbon monoxide anion 2ΠC∞v
440 CO+ carbon monoxide cation 2ΣC∞v
441 SiO Silicon monoxide 1ΣC∞v
442 SiO- silicon monoxide anion 2ΠC∞v
443 SiO+ silicon monoxide cation 2ΣC∞v
444 SiS silicon monosulfide 1ΣC∞v
445 SiS- silicon monosulfide anion 2ΠC∞v
446 SiS+ silicon monosulfide cation 2ΣC∞v
447 TiO Titanium monoxide 3ΔC∞v
448 CSe Carbon monoselenide 1ΣC∞v
449 GeO Germanium monoxide 1ΣC∞v
450 GeO+ Germanium monoxide cation 2ΣC∞v
451 GeS Germanium monosulfide 1ΣC∞v
452 SiSe Silicon Monoselenide   
453 SiSe+ Silicon Monoselenide cation   
454 GeSe Germanium monoselenide   
455 NO Nitric oxide 2ΠC∞v
456 NO- nitric oxide anion 3ΣC∞v
457 NO+ nitric oxide cation 1ΣC∞v
458 NS Mononitrogen monosulfide 2ΠC∞v
459 NS- nitrogen sulfide anion 3ΣC∞v
460 NS- nitrogen sulfide anion 1ΣC∞v
461 NS+ nitrogen sulfide cation 1ΣC∞v
462 PO Phosphorus monoxide 2ΠC∞v
463 PO- phosphorus monoxide anion 3ΣC∞v
464 PO+ phosphorus monoxide cation 1ΣC∞v
465 PS phosphorus sulfide 2ΣC∞v
466 PS- phosphorus monosulfide anion 3ΣC∞v
467 PS+ phosphorus monosulfide cation 1ΣC∞v
468 VO Vanadium monoxide 4Σ- 
469 NSe Nitrogen monoselenide 2ΠC∞v
470 AsS Arsenic monosulfide 2ΠC∞v
471 PSe Phosphorus monoselenide 2ΠC∞v
472 AsSe Arsenic monoselenide 2ΠC∞v
473 O2 Oxygen diatomic 3ΣgD∞h
474 O2 Oxygen diatomic 1ΔgD∞h
475 O2- oxygen diatomic anion 2ΠD∞h
476 O2-- dioxygen dianion   
477 O2+ diatomic oxygen cation 2ΠgD∞h
478 SO Sulfur monoxide 3ΣC∞v
479 SO Sulfur monoxide 1ΣC∞v
480 SO- sulfur monoxide anion 2ΠC∞v
481 SO+ sulfur monoxide cation 2ΠC∞v
482 S2 Sulfur diatomic 3ΣgD∞h
483 S2+ sulfur diatomic cation 2ΠD∞h
484 SeO Selenium monoxide 3ΣC∞v
485 Se2 Selenium diatomic 3ΣgD∞h
486 LiOH lithium hydroxide 1ΣC∞v
487 BeOH beryllium monohydroxide 2A'Cs
488 BeOH beryllium monohydroxide 2ΣC∞v
489 HBO Boron hydride oxide 1ΣC∞v
490 HBS hydrogen boron sulfide 1ΣC∞v
491 COH Hydroxymethylidyne   
492 COH+ Carbon Monoxide, protonated 1ΣC∞v
493 HCO Formyl radical 2A'Cs
494 HCO- formyl anion 1A'Cs
495 HCO+ Formyl cation 1ΣC∞v
496 HCS- Thioformyl anion 1A'Cs
497 HNO Nitrosyl hydride 1A'Cs
498 HNO- Nitrosyl hydride anion 2A"Cs
499 HNO+ Nitrosyl hydride cation 2A'Cs
500 NOH Hydroxyimidogen 3A"Cs
501 NOH+ O-protonated nitric oxide 2A'Cs
502 HNS Sulfur imide 1A'Cs
503 HNS- Sulfur imide anion 2ACs
504 HO2 Hydroperoxy radical 2A"Cs
505 HO2+ Hydroperoxy cation 3A"Cs
506 HO2+ Hydroperoxy cation 1A'Cs
507 HSO+ Sulfur Monoxide, S-protonated   
508 SOH Sulfur Hydroxide   
509 SOH+ Sulfur Monoxide, protonated   
510 HS2 Thiosulfeno radical 2A"Cs
511 H2CO Formaldehyde 1A1C2v
512 H2CO- formaldehyde anion 2A'Cs
513 H2CO- formaldehyde anion   
514 H2CO+ formaldehyde cation 2B2C2v
515 HOCH hydroxycarbene 1A'CS trans
516 HOCH hydroxycarbene 1A'CS cis
517 H2CS Thioformaldehyde 1A1C2v
518 H2CS- thioformaldehyde anion   
519 H2CS- thioformaldehyde anion   
520 H2CS+ thioformaldehyde cation 2B2C2v
521 H2CSe Selenoformaldehyde   
522 H2NO nitroxide 2B1C2v
523 H2NO nitroxide 2A'Cs
524 H2O2 Hydrogen peroxide 1AC2
525 H2O2 Hydrogen peroxide 1AgC2h
526 H2O2+ Hydrogen peroxide cation 2BgC2h
527 H2O2+ Hydrogen peroxide cation 2A1C2v
528 H2OO water oxide   
529 HOSH hydrogen thioperoxide   
530 H2S2 Disulfane 1AC2
531 H2S2+ hydrogen disulfide cation 2BgC2h
532 H2Se2 hydrogen diselenide   
533 CH2OH Hydroxymethyl radical 2AC1
534 CH2OH+ hydroxymethyl cation 1A'Cs
535 CH3O- methoxy anion 1A1C3v
536 CH3O+ Methoxy cation 3A1C3v
537 H2CSH+ Thioformaldehyde, protonated 1A'Cs
538 NH2OH hydroxylamine 1A'Cs
539 NH2OH+ Hydroxylamine cation   
540 NH3O Ammonia Oxide 1A1C3v
541 H2POH Phosphinous acid 1A1'CS trans
542 H2POH Phosphinous acid 1A1'CS cis
543 H3PO Phosphine oxide 1A1C3v
544 NH2SH Thiohydroxylamine   
545 CH3OH Methyl alcohol 1A'Cs
546 CH3OH- Methyl alcohol anion 2A'Cs
547 CH3OH- Methyl alcohol anion 2A'CS eclipsed
548 CH3OH+ Methyl alcohol cation 2A"Cs
549 CH3SH Methanethiol 1A'Cs
550 CH3SH+ Methanethiol cation 2A"Cs
551 SiH3OH silanol   
552 NH2OH2+ protonated hydroxylamine   
553 NH3OH+ N-protonated hydroxylamine   
554 H2OH2O water dimer 1A'Cs
555 CH3OH2+ Methanol, protonated 1A'Cs
556 H5O2+ Dihydroxonium ion 1AC2
557 LiF lithium fluoride 1ΣC∞v
558 LiCl lithium chloride 1ΣC∞v
559 NaF sodium fluoride 1ΣC∞v
560 NaF+ sodium fluoride cation 2ΣC∞v
561 NaCl Sodium Chloride 1ΣC∞v
562 LiBr Lithium Bromide 1ΣC∞v
563 LiF+ lithium fluoride cation 2ΠC∞v
564 BeF- Beryllium monofluoride anion 1ΣC∞v
565 MgF- magnesium fluoride anion 1ΣC∞v
566 MgF+ magnesium fluoride cation 1ΣC∞v
567 MgCl- magnesium monochloride anion 1ΣC∞v
568 MgCl+ magnesium monochloride cation 1ΣC∞v
569 ZnF Zinc monofluoride 2ΣC∞v
570 BF Boron monofluoride 1ΣC∞v
571 BF- Boron monofluoride anion 2ΠC∞v
572 BF+ Boron monofluoride cation 2ΣC∞v
573 AlF Aluminum monofluoride 1Σ+C∞v
574 AlF- Aluminum monofluoride anion 2ΠC∞v
575 AlF+ Aluminum monofluoride cation 2ΣC∞v
576 BCl+ boron monochloride cation 2ΣC∞v
577 AlCl Aluminum monochloride 1ΣC∞v
578 ScF Scandium monofluoride 1ΣC∞v
579 BBr Boron monobromide 1ΣC∞v
580 GaF Gallium monofluoride 1ΣC∞v
581 GaF+ Gallium monofluoride cation 2ΣC∞v
582 AlBr Aluminum monobromide   
583 GaCl Gallium monochloride 1ΣGC∞v
584 GaCl+ Gallium monochloride cation 2ΣC∞v
585 GaBr Gallium monobromide   
586 CF Fluoromethylidyne 2ΠC∞v
587 CF+ carbon monofluoride cation 1ΣC∞v
588 SiF silicon monofluoride 2ΠC∞v
589 SiF- silicon monofluoride anion 3ΣC∞v
590 SiF+ silicon monofluoride cation 1ΣC∞v
591 SiCl Clorosilylidyne 2ΠC∞v
592 SiCl- silicon monochloride anion 3ΣC∞v
593 SiCl+ silicon monochloride cation 1ΣC∞v
594 CBr Carbon monobromide 2ΠC∞v
595 GeF Germanium monofluoride 2ΠC∞v
596 GeF+ Germanium monofluoride cation 1ΣC∞v
597 GeCl Germanium monochloride 2ΠC∞v
598 GeCl+ Germanium monochloride cation   
599 SiBr Silicon monobromide 2ΠC∞v
600 SiBr+ Silicon monobromide cation   
601 NF- nitrogen monofluorine anion 2ΠC∞v
602 NF+ nitrogen monofluoirde cation 2ΠC∞v
603 NCl nitrogen monochloride 3ΣC∞v
604 PF- phosphorus monofluoride anion 2ΠC∞v
605 PF+ phosphorus monofluoride cation 2ΠC∞v
606 PCl- phosphorus monochloride anion 2ΠC∞v
607 PCl+ phosphorus monochloride cation 2ΠC∞v
608 AsF Arsenic monofluoride 3ΣC∞v
609 AsF Arsenic monofluoride 1ΔC∞v
610 NBr nitrogen monobromide 3Σ-C∞v
611 AsCl Arsenic monochloride 3ΣC∞v
612 PBr Phosphorus monobromide   
613 FO Oxygen monofluoride 2ΠC∞v
614 FO- flourine oxide anion 1ΣC∞v
615 FO+ fluorine monoxide cation 3ΣC∞v
616 ClO Monochlorine monoxide 2ΠC∞v
617 ClO+ chlorine monoxide cation 3ΣC∞v
618 SF Monosulfur monofluoride 2ΠC∞v
619 SF- sulfur monofluoride anion 1ΣC∞v
620 SF+ sulfur monofluoride cation 3ΣC∞v
621 SCl sulfur monochloride 2ΠC∞v
622 SCl- sulfur monochloride anion 1ΣC∞v
623 SCl+ sulfur monochloride cation 3ΣgC∞v
624 BrO Bromine monoxide 2ΠC∞v
625 BrO- Bromine monoxide anion 1ΣC∞v
626 BrO+ Bromine monoxide cation   
627 SeF Selenium monofluoride 2ΠC∞v
628 SBr Sulfur monobromide radical   
629 SBr+ Sulfur monobromide cation   
630 SeCl Selenium monochloride 2ΠC∞v
631 SeBr Selenium monobromide   
632 BrCl Bromine monochloride 1ΣC∞v
633 F2 Fluorine diatomic 1ΣgD∞h
634 F2- flourine diatomic anion 2ΣuD∞h
635 F2+ flourine diatomic cation 2ΠgD∞h
636 ClF Chlorine monofluoride 1Σ+C∞v
637 ClF+ clorine monofluoride cation 2ΠC∞v
638 Cl2 Chlorine diatomic 1ΣgD∞h
639 Cl2- chlorine diatomic anion 2ΣuD∞h
640 Cl2+ chlorine diatomic cation 2ΠgD∞h
641 BrF Bromine monofluoride 1ΣC∞v
642 Br2 Bromine diatomic 1ΣgD∞h
643 Br2- bromine diatomic anion 2ΣuD∞h
644 Br2+ bromine diatomic cation 2ΠgD∞h
645 HCF Fluoromethylene 1A'Cs
646 HCF Fluoromethylene 3A"Cs
647 HCCl Chloromethylene 1A'Cs
648 HCCl Chloromethylene 3A"Cs
649 HSiF fluorosilylene   
650 HSiCl Chlorosilylene   
651 HSiBr monobromosilylene   
652 CHBr bromomethylene 1A'Cs
653 HOF Hypofluorous acid 1A'Cs
654 HOCl hypochlorous acid 1A'Cs
655 HOCl+ hypochlorous acid cation   
656 HOBr Hypobromous acid 1A'Cs
657 HOBr+ Hypobromous acid cation 2A"Cs
658 F2H+ Fluorine, protonated 1A'Cs
659 FHF- Hydrogen difluoride anion 1ΣgD∞h
660 ClFH+ Chlorine fluoride, F-protonated   
661 FClH+ Chlorine fluoride, Cl-protonated   
662 Cl2H+ Chlorine, protonated 1A'Cs
663 CH2Br bromomethyl radical   
664 CH2F fluoromethyl radical 2ACs
665 CH2F+ fluoromethyl cation   
666 CH2Cl+ chloromethyl cation   
667 CH2Cl chloromethyl radical 2B1C2v
668 NH2Cl chloramine 1A'Cs
669 CH3F+ methyl fluoride cation   
670 CD3F methylfluoride-d3 1A1C3v
671 CH3F Methyl fluoride 1A1C3v
672 CD3Cl methyl chloride d3 1A1C3v
673 CH3Cl Methyl chloride 1A1C3v
674 CH3Cl+ Methyl chloride cation   
675 SiH3F monofluorosilane 1A1C3v
676 SiH3Cl chlorosilane 1A1C1
677 CH3Br methyl bromide 1A1C3v
678 GeH3F monofluorogermane   
679 GeH3Cl monochlorogermane   
680 NH3Cl+ protonated monochloroammonia   
681 CH3ClH+ methyl chloride, protonated   
682 NH4Cl Ammonium chloride   
683 LiNe+ Lithium Neon cation   
684 Ne2 Neon diatomic 1ΣgD∞h
685 Ne2+ Neon diatomic cation 2ΣuD∞h
686 Ar2 Argon diatomic 1SgD∞h
687 Ar2+ Argon diatomic cation 2ΣuD∞h
688 Li3 Lithium trimer 2B2C2v
689 Li3+ Lithium trimer cation 1A1'D3h
690 C3 carbon trimer 1ΣgD∞h
691 C3 carbon trimer 1A1C2v
692 SiC2 Silicon dicarbide   
693 C3H3- Propargyl anion 1A'Cs
694 C3H3+ cyclopropenyl cation 1A1D3h
695 C3H4 cyclopropene 1A1C2v
696 CH2CCH2 allene 1A1D2d
697 CH3CCH propyne 1A'C3v
698 C3H5 Allyl radical 2A2C2v
699 CH3CHCH 1-propenyl radical 2A'Cs
700 C3H6 Cyclopropane 1A1'D3h
701 CH2CHCH3 Propene 1A'Cs
702 C3H7 n-Propyl radical 2A"C1
703 C3H7+ cyclopropane, protonated   
704 CH3CHCH3 Isopropyl radical 2AC2
705 CH3CHCH3+ Isopropyl cation 1AC2
706 C3H8 Propane 1A1C2v
707 Si3H8 trisilane   
708 LiCN lithium cyanide 1ΣC*V LiCN
709 LiCN lithium cyanide 1A'Cs
710 LiCN lithium cyanide 1ΣC*V LiNC
711 NaCN Sodium Cyanide 1ΣC∞v
712 NaCN Sodium Cyanide 1ACs
713 NaCN Sodium Cyanide 1ΣC∞v
714 ZnCN Zinc monocyanide 2ΣC∞v
715 ZnNC Zinc isocyanide 2ΣC∞v
716 AlCN Aluminum monocyanide   
717 AlNC Aluminum isocyanide   
718 CN2 3H-Diazirin-3-ylidene 1A1C2v
719 NCN Cyanoimidogen 3ΣgD∞h
720 NCN Cyanoimidogen 1ΣgD∞h
721 N3 azide radical 2ΠgD∞h
722 N3+ azide cation 3ΣgD∞h
723 N3+ azide cation 3ΣC∞v
724 HCCN cyanomethylene 3ΣC∞v
725 HCCN cyanomethylene   
726 HN3 hydrogen azide 1A'Cs
727 HNCNH diiminomethane 1AC2
728 HNNNH+ 1,2-Triazadienium   
729 NH2NN+ hydrazoic acid, protonated   
730 CH3CN Acetonitrile 1A1C3v
731 CH3CN- acetonitrile anion 2EC3v
732 HCNCH2+ 2H-Azirine cation   
733 HNCNH2+ diiminomethane, protonated 1A'Cs
734 NH2CNH+ cyanamide, cn protonated   
735 NH3CN+ cyanamide, amine protonated   
736 CH3CHN methylmethaniminyl radical 2A'Cs
737 C2H6N+ aziridine, protonated 1A1C2v
738 CH3CH2NH2 Ethylamine   
739 Li2O dilithium oxide 1ΣgD∞h
740 Li2O+ dilithium oxide cation 2ΠD∞h
741 Li2S dilithium sulfide 1ΣGD∞h
742 Li2S dilithium sulfide 1A1C2v
743 Na2O disodium monoxide 1ΣgLinear
744 Na2O disodium monoxide 1A1C2v
745 Na2S Sodium sulfide   
746 Na2S Sodium sulfide   
747 LiO2 Lithium dioxide   
748 NaO2 Sodium superoxide   
749 CCO Dicarbon monoxide 3ΣC∞v
750 CCO Dicarbon monoxide 1ΠC∞v
751 NCO isocyanato radical 2ΠC∞v
752 BO2- Boron dioxide anion 1ΣgD∞h
753 N2O Nitrous oxide 1ΣC∞v
754 N2O- Nitrous oxide anion 2A'Cs
755 NNS Nitrogen sulfide 1ΣC∞v
756 CO2 Carbon dioxide 1ΣgD∞h
757 CO2- Carbon dioxide anion 2A1C2v
758 OCS Carbonyl sulfide 1ΣC∞v
759 CS2 Carbon disulfide 1ΣgD∞h
760 CS2- Carbon disulfide anion 2A1C2v
761 TiO2 Titanium dioxide 1A1C2v
762 GeO2 Germanium dioxide 1ΣgD∞h
763 OCSe Carbonyl selenide 1ΣC∞v
764 SCSe Carbon sulfide selenide   
765 GeS2 Germanium disulfide 1ΣGD∞h
766 NO2 Nitrogen dioxide 2A1C2v
767 NO2+ Nitrogen dioxide cation 1ΣGD∞h
768 NSO sulfinyl amidogen   
769 SNO Nitrogen oxide sulfide   
770 O3 Ozone 1A1Cs
771 SO2 Sulfur dioxide 1A1C2v
772 SSO Disulfur monoxide 1A'Cs
773 S3 Sulfur trimer 1A1C2v
774 S3 Sulfur trimer   
775 S3+ Sulfur trimer cation 2B2C2v
776 SeO2 Selenium dioxide 1A1C2v
777 SeO2+ Selenium dioxide cation 2A1C2v
778 HCNO fulminic acid 1ΣC∞v
779 HCOO formate neutral radical 2A'Cs
780 HOCO Hydrocarboxyl radical 1A'cis
781 HOCO Hydrocarboxyl radical 1A'trans
782 O3H+ protonated ozone 1A'Cs
783 O3H+ protonated ozone   
784 C2H2O Oxirene 1A1C2v
785 CH2CO Ketene 1A1C2v
786 CH2CS Thioketene   
787 Be(OH)2 Beryllium hydroxide   
788 Mg(OH)2 Magnesium dihydroxide 1AC2
789 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
790 NH2NO Nitrosamide 1AC1
791 H2COO Dioxymethyl radical 2A'Cs
792 H2COO+ dioxymethyl cation 2A'Cs
793 HCOOH Formic acid 1A'Cs
794 HCOOH Formic acid   
795 CH2BOH hydroxy(methylene)borane 1A'Cs
796 BH3CO Borane carbonyl 1A1C3v
797 CH3BO Borane, methyloxo- 1A1C3v
798 CH2COH+ ketene, protonated   
799 CH3CO+ acetyl cation 1A1C3v
800 CH2NOH formaldoxime 1A'Cs
801 CH3NO nitrosomethane 1A'Cs
802 CHONH2 formamide 1ANon-Planar
803 CNOH3 1,2-oxaziridine 1AC1
804 HOCHNH hydroxymethylimine 1A'CS H all up
805 HOCHNH hydroxymethylimine 1A'CS OH down
806 NHCHSH Methanimidothioic acid   
807 C2H4O Ethylene oxide 1A1C2v
808 C2H4O+ ethylene oxide cation   
809 CH3CHO Acetaldehyde 1A'Cs
810 CH3CHO+ acetaldehyde cation   
811 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
812 C2H4S Thiirane 1A1C2v
813 CH2CHSH Ethenethiol   
814 H2CONH2+ protonated formamide 1A'Cs
815 NH2CHOH+ Formamide, O-protonated   
816 CH3SSH Hydrogen methyl disulfide   
817 HSCH2SH Methanedithiol   
818 C2H4OH+ ethylene oxide, protonated 1A'Cs
819 CH3CH2O Ethoxy radical 2A'Cs
820 CH3CHOH 1-hydroxy-ethyl radical 2AC1
821 CH3CH2OH Ethanol 1A'Cs
822 CH3OCH3 Dimethyl ether 1A1C2v
823 CH3CH2SH ethanethiol 1A'Cs
824 CH3CH2SH ethanethiol 1AC1
825 CH3SCH3 Dimethyl sulfide 1A1C2v
826 CH3SCH3+ dimethyl sulfide cation   
827 CNF iso cyanogen fluoride 1ΣC∞v
828 BrCN Cyanogen bromide 1ΣC∞v
829 FBO Boron monofluoride monoxide   
830 BeF2 Beryllium fluoride 1ΣgD∞h
831 MgF2 Magnesium fluoride 1ΣgD∞h
832 BeCl2 Beryllium chloride 1ΣgD∞h
833 BeBr2 Beryllium bromide   
834 FCO Carbonyl fluoride 2A'Cs
835 FCO+ Carbonyl fluoride cation 1ΣC∞v
836 ClCO carbonyl monochloride 2A'Cs
837 BF2 Boron difluoride radical 2A1C2v
838 FNO Nitrosyl fluoride 1A'Cs
839 ClNO Nitrosyl chloride 1A'Cs
840 FNS Thionitrosyl fluoride 1A'Cs
841 FSN Thiazyl fluoride 1A'Cs
842 OPCl Phosphorus oxychloride   
843 CF2 Difluoromethylene 1A1D∞h
844 CFCl chlorofluoromethylene 1A'Cs
845 SiF2 Silicon difluoride 1A1C2v
846 SiF2 Silicon difluoride 3B1C2v
847 GeF2 Germanium difluoride 1A1C2v
848 GeCl2 Germanium dichloride 1A1C2v
849 OClO Chlorine dioxide 2B1D∞h
850 OClO- Chlorine dioxide anion 1A'Cs
851 ClSO Sulfur chloride oxide 2A"Cs
852 BrOO Bromine dioxide   
853 PF2 Phosphorus difluoride   
854 PF2+ Phosphorus difluoride cation   
855 FClO chlorosyl fluoride 1A'Cs
856 ClOF Chlorine hypofluorite 1A'Cs
857 SF2 sulfur difluoride 1A1C2v
858 SF2- sulfur difluoride anion 2ΠD∞h
859 SCl2 Sulfur dichloride 1A1C2v
860 SeF2 Selenium difluoride   
861 SeCl2 Selenium Dichloride   
862 SBr2 Sulfur dibromide   
863 SeBr2 Selenium dibromide   
864 Br3- tribromide anion   
865 SFCl Sulfur chloride fluoride   
866 HCCF Fluoroacetylene 1ΣC∞v
867 HFCO+ formyl fluoride cation 2A'Cs
868 COHCl Formyl chloride 1A'Cs
869 CHF2 difluoromethyl radical 2ACs
870 CHF2+ difluoromethyl cation   
871 CHFCl Chlorofluoromethyl radical   
872 CHFCl+ Chlorofluoromethyl cation   
873 CHCl2+ dichloromethyl cation   
874 HOClO Chlorous acid 1AC1
875 NHF2 difluoramine   
876 NHCl2 dichloroamine   
877 CH2F2 Methane, difluoro- 1A1C2v
878 SiH2F2 difluorosilane   
879 CH2Cl2 Methylene chloride 1A1C2v
880 CH2BrCl Methane, bromochloro- 1A'Cs
881 CH2Br2 dibromomethane 1A1C2v
882 SiH2Cl2 dichlorosilane 1A1C2v
883 CH3MgBr Methyl Magnesium Bromide   
884 CH2CHF Ethene, fluoro- 1A'Cs
885 CH2FOH fluoromethanol   
886 C2H5Br Ethyl bromide 1A'Cs
887 KrF2 Krypton difluoride 1ΣGD∞h
888 B4H10 Tetraborane(10) 1A1C2v
889 C4 Carbon tetramer 3ΣgD∞h
890 C4 Carbon tetramer   
891 C4H2+ diacetlyene cation 2ΠgD∞h
892 C4H4 cyclobutadiene 1AgD2h
893 C4H4 Tetrahedrane   
894 C4H6 1-Methylcyclopropene 1AC1
895 CH3CH2CH2CH3 Butane 1AgAnti
896 Li3N trilithium nitride 1A'D3h
897 C2N2 Cyanogen 1ΣgD∞h
898 As4 Arsenic tetramer 1A1Td
899 HCCCN+ Cyanoacetylene cation 2ΠC∞v
900 H2CNCN cyanamide, methylene   
901 HNCCNH Ethenediimine   
902 C3H3N+ acrylonitrile cation 2A"Cs
903 C2H5CN ethyl cyanide 1A'Cs
904 CH5N3 Guanidine 1AC1
905 C4H6 Bicyclo[1.1.0]butane 1A1C2v
906 CH7N3 triaminomethane   
907 N(SiH3)3 trisilylamine   
908 Na2O2 disodium dioxide   
909 C3O Tricarbon monoxide 1ΣC∞v
910 ONNO NO dimer 1Agtrans C2H
911 ONNO NO dimer 1A1cis C2V
912 S2N2 Disulfur dinitride 1AGD2h
913 NO3- nitrate anion 1A1'D3h
914 SO3 Sulfur trioxide 1A1'D3h
915 SO3- Sulfur trioxide anion 2A1pyramidal
916 SO3- Sulfur trioxide anion 2A2"planar
917 SO3-- Sulfate dianion   
918 S4 Sulfur tetramer   
919 S4 Sulfur tetramer   
920 S4 Sulfur tetramer   
921 HNO3 Nitric acid 1A'Cs
922 C3H2O Propadienal   
923 C3H2O Propadienal   
924 C2H2O2 Ethanedial 1AgC2h
925 CH3NCO methylisocyante   
926 CH3NO2 Methane, nitro- 1A'Cs
927 H3AlO3 Aluminum hydroxide   
928 CH2CHCHO Acrolein 1A'Cs
929 CH2CHCHO Acrolein   
930 NH2CONH2 Urea 1A1C2v
931 CH3COCH2 Acetonyl radical 2A"Cs
932 CH3CH2CHO Propanal 1A'Cs
933 CH3COCH3 Acetone 1A1C2v
934 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
935 C3H7OH 1-Propanol   
936 Li2F2 Lithium fluoride dimer   
937 CF2O Carbonic difluoride 1A1C2v
938 CF2O+ Carbonic difluoride cation   
939 COFCl Carbonic chloride fluoride 1A'Cs
940 Cl2CS Thiophosgene 1A1C2v
941 BF3 Borane, trifluoro- 1A'D3h
942 BF3- Borane, trifluoro- anion 2A1C3v
943 BF3+ boron trifluoride cation   
944 AlF3 Aluminum trifluoride 1A1'D3h
945 BCl3 Borane, trichloro- 1A1'D3h
946 BCl3+ Boron Trichloride cation   
947 GaF3 Gallium trifluoride 1A1'D3h
948 GaCl3 Gallium trichloride 1A1'D3h
949 CF2Cl difluorochloromethyl radical   
950 SiF3+ Silicon trifluoride cation 1A1'D3h
951 CFCl2 dichlorofluoromethyl radical   
952 SiCl3+ trichlorosilyl cation 1A1'D3h
953 ClO2F Chloryl fluoride 1A'Cs
954 SSCl2 Thiothionyl chloride   
955 NF3 Nitrogen trifluoride 1A1C3v
956 NF3- Nitrogen trifluoride anion 2A1C3v
957 NF3- Nitrogen trifluoride anion 2ACs
958 NF3+ Nitrogen trifluoride cation 2A1C3v
959 NCl3 nitrogen trichloride 1A1C3v
960 NBr3 Nitrogen Tribromide 1A1C3v
961 PBr3 Phosphorus tribromide 1A1C3v
962 SF3 Sulfur trifluoride 2A'Cs
963 HClO3 Chloric Acid 1A'Cs
964 HClO3 Chloric Acid 1AC1
965 CHF3 Methane, trifluoro- 1A1C3v
966 SiHF3 trifluorosilane   
967 CHBrF2 Methane, bromodifluoro- 1A'Cs
968 CHFClBr fluorochlorobromomethane 1AC1
969 CHBrCl2 Methane, bromodichloro- 1A'Cs
970 AsF3H+ Arsenic trifluoride, protonated   
971 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
972 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
973 C2H4F2 1,2-difluoroethane 1AgC2H anti
974 C2H4F2 1,2-difluoroethane 1AC2 gauche
975 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
976 CH2CHCH2F Allyl Fluoride   
977 CH2CHCH2F Allyl Fluoride   
978 CH3CHCHF trans-1-Fluoro-1-propene   
979 CH3CHFCH3 2-Fluoropropane 1A'Cs
980 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
981 B5H9 pentaborane9   
982 C5H4 pentatetraene   
983 C5H8 Bicyclo[1.1.1]pentane   
984 C3H4N2 4H-Imidazole 1A'Cs
985 C3O2 Carbon suboxide 1ΣGD∞h
986 B2O3 diboron trioxide   
987 B2O3 diboron trioxide   
988 C3H2O2 Propiolic acid 1A'Cs
989 C3H3NO Isoxazole 1A'Cs
990 C4H4O Furan 1A1C2
991 C2H4O3 1,2,3-trioxolane 1A'Cs
992 CH2CHSCHCH2 Divinyl sulfide   
993 C4H10O Ethoxy ethane 1A1C2v
994 CF3Cl Methane, chlorotrifluoro- 1A1C3v
995 CF2Cl2 difluorodichloromethane 1A1C2v
996 CF3Br Bromotrifluoromethane 1A1C3v
997 GeF4 Germanium tetrafluoride 1A1Td
998 CCl4 Carbon tetrachloride 1A1Td
999 SF4 Sulfur tetrafluoride 1A1C2v
1000 CH2ClCCCl 1,3-dichloropropyne   
1001 CHCl2CCH 3,3-dichloropropyne   
1002 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1003 C2H2N2O Furazan   
1004 C6H6 Benzene 1A1gD6h
1005 C3H2O3 vinylene carbonate   
1006 C5H6O 2H-Pyran   
1007 C4H6O2 γ–Butyrolactone 1AC1
1008 C3H6O3 1,3,5-Trioxane 1A1C1
1009 C4H8O2 Ethyl acetate 1A'Cs
1010 PF5 Phosphorus pentafluoride 1A1'D3h
1011 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1012 C5H4O2 furfural 1A'OCCO cis
1013 C5H4O2 furfural 1A'OCCO trans
1014 SF6 Sulfur Hexafluoride 1A1GOh
1015 C8H8 cubane 1A1GOh
1016 C6H12N2 Triethylenediamine 1A1D3
1017 C6H5CHO benzaldehyde 1A'Cs

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 K Potassium atom k  
11 K- Potassium atom anion k-  
12 K+ Potassium atom cation k+  
13 Cu Copper atom cu  
14 Cu- Copper atom anion cu-  
15 Cu+ Copper atom cation cu+  
16 NaH- sodium hydride anion nah-  
17 KH Potassium hydride kh  
18 KH+ Potassium hydrogen cation kh+  
19 CuH Copper monohydride cuh  
20 Ca Calcium atom ca  
21 Ca- Calcium atom anion ca-  
22 Ca+ Calcium atom cation ca+  
23 Zn Zinc atom zn  
24 Zn- Zinc atom anion zn-  
25 Zn+ Zinc atom cation zn+  
26 CaH Calcium monohydride cah  
27 CaH+ Calcium monohydride cation cah+  
28 ZnH Zinc monohydride znh  
29 CaH2 Calcium Hydride cah2  
30 ZnH2 Zinc hydride znh2  
31 AlH aluminum monohydride alh  
32 ScH+ Scandium monohydride cation sch+  
33 BH2 boron dihydride bh2  
34 AlH2 aluminum dihydride alh2  
35 AlH2- aluminum dihydride anion alh2-  
36 AlH2+ aluminum dihydride cation alh2+  
37 AlH4- Aluminum tetrahydride anion alh4-  
38 Ti Titanium atom ti  
39 Ti- Titanium atom anion ti-  
40 Ti+ Titanium atom cation ti+  
41 Sn Tin atom sn  
42 Sn+ Tin cation sn+  
43 SiH2- silicon dihydride anion sih2-  
44 SiH2+ silicon dihydride cation sih2+  
45 SiH3- Silyl anion sih3-  
46 CH4- Methane anion ch4-  
47 SnH4 Stannane snh4  
48 Sb Antimony atom sb  
49 NH Imidogen nh  
50 SbH Antimony monohydride sbh  
51 ND2 Amidogen-d2 nd2  
52 PH2 Phosphino radical ph2  
53 PH2- Phosphino anion ph2-  
54 PH2+ Phosphino cation ph2+  
55 ND3 Ammonia-d3 nd3  
56 SbH3 Stibine sbh3  
57 Cr Chromium atom cr  
58 Te Tellurium atom te  
59 Te+ Tellurium atom cation te+  
60 DO Hydroxyl-d od  
61 DS Mercapto-d ds  
62 TeH Telluryl radical teh  
63 D2O Deuterium oxide d2o  
64 D2S Hydrogen sulfide-d2 d2s  
65 H2Te Hydrogen Telluride h2te  
66 Mn Manganese atom mn  
67 I Iodine atom iodine  
68 I- Iodine atom anion iodine-  
69 I+ Iodine atom cation iodine+  
70 DCl Hydrochloric acid-d dcl  
71 HI Hydrogen iodide hi  
72 HI+ Hydrogen iodide cation hi+  
73 H2F+ dihydrogen fluoride cation h2f+  
74 H2I+ Iodonium h2i+  
75 Fe Iron atom fe  
76 Xe Xenon atom xe  
77 XeH+ Xenon, protonated xeh+  
78 Co Cobalt atom cobalt  
79 Ni Nickel atom ni  
80 NaLi- lithium sodium anion lina-  
81 NaLi+ lithium sodium cation lina+  
82 LiK Lithium Potassium lik  
83 NaK Sodium Potassium nak  
84 NaK+ Sodium Potassium diatomic cation nak+  
85 K2 Potassium diatomic k2  
86 Cu2 Copper diatomic cu2  
87 Ca2 Calcium diatomic ca2  
88 Al2 Aluminum diatomic al2  
89 Al2- aluminum diatomic anion al2-  
90 Al2+ aluminum diatomic cation al2+  
91 CaC Calcium monocarbide cac  
92 BC- boron monocarbide anion bc-  
93 BC+ boron monocarbide cation bc+  
94 SiC- silicon monocarbide anion sic-  
95 SiC+ silicon monocarbide cation sic+  
96 Si2 Silicon diatomic si2  
97 Ge2 Germanium diatomic ge2  
98 ZnCH2 Zinc methylene znch2  
99 CCH2 vinylidene vinylidene  
100 CuCH3 monomethyl copper cuch3  
101 ZnCH3 Zinc monomethyl znch3  
102 CH2SiH2 silaethylene ch2sih2  
103 C2H5+ Ethyl cation c2h5+  
104 CH3SiH3 methyl silane ch3sih3  
105 GeH3CH3 methyl germane geh3ch3  
106 BeN- Beryllium mononitride anion ben-  
107 AlN- aluminum mononitride anion aln-  
108 AlN+ aluminum mononitride cation aln+  
109 AlN Aluminum nitride aln  
110 CP Carbon monophosphide cp  
111 CP- carbon monophosphide anion cp-  
112 CP+ carbon monophosphide cation cp+  
113 SiN Silicon nitride sin  
114 SiP- Silicon monophosphide anion sip-  
115 SiP+ Silicon monophosphide cation sip+  
116 TiN Titanium mononitride tin  
117 SbN Antimony nitride sbn  
118 As2 Arsenic diatomic as2  
119 HNB hydrogen nitrogen boron hnb  
120 HNC hydrogen isocyanide hnc  
121 HCP Phosphaethyne hcp  
122 NNH Dinitrogen monohydride nnh  
123 HPO Hydrogen phosphorus oxide hpo  
124 HPO+ Hydrogen phosphorus oxide cation hpo+  
125 H2CN+ hydrocyanonium cation h2cn+  
126 P2H4 Diphosphine p2h4  
127 CH3PH2 Methyl phosphine ch3ph2  
128 LiO- lithium oxide anion lio-  
129 LiO+ lithium oxide cation lio+  
130 NaO- sodium oxide anion nao-  
131 NaO+ sodium oxide cation nao+  
132 KO Potassium monoxide ko  
133 KO+ Potassium monoxide cation ko+  
134 CuO Copper Monoxide cuo  
135 BeS beryllium sulfide bes  
136 MgO magnesium oxide mgo  
137 CaO Calcium monoxide cao  
138 MgS magnesium sulfide mgs  
139 CaS Calcium sulfide cas  
140 ZnO zinc monoxide zno  
141 ZnS Zinc sulfide zns  
142 BeS- Beryllium monosulfide anion bes-  
143 BeS+ Beryllium monosulfide cation bes+  
144 AlO Aluminum monoxide alo  
145 AlO- Aluminum monoxide anion alo-  
146 AlO+ aluminum monoxide cation alo+  
147 BS boron sulfide bs  
148 BS- boron monosulfide anion bs-  
149 BS+ boron monosulfide cation bs+  
150 AlS Aluminum sulfide als  
151 AlS- aluminum monosulfide anion als-  
152 AlS+ aluminum monosulfide cation als+  
153 CS carbon monosulfide cs  
154 CS- carbon monosulfide anion cs-  
155 CS+ carbon monosulfide cation cs+  
156 CSe- Carbon monoselenide anion cse-  
157 CSe+ Carbon monoselenide cation cse+  
158 AsO Arsenic monoxide aso  
159 S2- sulfur diatomic anion s2-  
160 SeO- selenium monoxide anion seo-  
161 SeO+ selenium monoxide cation seo+  
162 SeS Selenium monosulfide ses  
163 SeS- selenium monosulfide anion ses-  
164 SeS+ selenium monosulfide cation ses+  
165 TeO Tellurium monoxide teo  
166 Se2- selenium diatomic anion se2-  
167 Se2+ selenium diatomic cation se2+  
168 Te2 Tellurium diatomic te2  
169 NaOH sodium hydroxide naoh  
170 KOH Potassium hydroxide koh  
171 MgOH magnesium hydroxide mgoh  
172 CaOH Calcium monohydroxide caoh  
173 HCS Thioformyl radical hcs  
174 HCS+ Thioformyl cation hcs+  
175 HO2- Hydroperoxy anion ho2-  
176 CH3O Methoxy radical ch3o  
177 CH3S thiomethoxy ch3s  
178 NH3S sulfidoazane nh3s  
179 H3O2+ hydrogen peroxide, protonated h3o2+  
180 CH3SeH Methane selenol ch3seh  
181 CH3SH2+ protonated methylsulfide ch3sh2+  
182 H2ONH3 Water Ammonia Dimer h2onh3  
183 LiCl- lithium chloride anion licl-  
184 LiCl+ lithium chloride cation licl+  
185 NaF- sodium fluoride anion naf-  
186 KF Potassium Fluoride kf  
187 NaCl- sodium chloride anion nacl-  
188 NaCl+ sodium chloride cation nacl+  
189 KCl Potassium Chloride kcl  
190 CuF Copper monofluoride cuf  
191 LiBr- lithium bromide anion libr-  
192 LiBr+ lithium bromide cation libr+  
193 CuCl Copper monochloride cucl  
194 NaBr Sodium Bromide nabr  
195 NaBr- sodium bromide anion nabr-  
196 NaBr+ sodium bromide cation nabr+  
197 KBr Potassium Bromide kbr  
198 LiI Lithium Iodide lii  
199 NaI Sodium Iodide nai  
200 KI Potassium Iodide ki  
201 LiF- lithium fluoride anion lif-  
202 BeF Beryllium monofluoride bef  
203 BeF+ Beryllium monofluoride cation bef+  
204 BeCl beryllium monochloride becl  
205 MgF Magnesium monofluoride mgf  
206 CaF Calcium monofluoride caf  
207 MgCl magnesium monochloride mgcl  
208 CaCl calcium monochloride cacl  
209 TiCl Titanium Monochloride ticl  
210 ZnF- Zinc monofluoride anion znf-  
211 ZnF+ Zinc monofluoride cation znf+  
212 ZnCl Zinc monochloride zncl  
213 CaBr Calcium monobromide cabr  
214 BeCl- beryllium monochloride anion becl-  
215 BeCl+ beryllium monochloride cation becl+  
216 BCl boron monochloride bcl  
217 BCl- boron monochloride anion bcl-  
218 AlCl- aluminum monochloride anion alcl-  
219 AlCl+ aluminum monochloride cation alcl+  
220 AlI Aluminum monoiodide ali  
221 CF- carbon monofluoride anion cf-  
222 CCl carbon monochloride ccl  
223 CCl- carbon monochloride anion ccl-  
224 CCl+ carbon monochloride cation ccl+  
225 NF nitrogen fluoride nf  
226 NCl- nitrogen monochloride anion ncl-  
227 NCl+ nitrogen monochloride cation ncl+  
228 PF phosphorus monofluoride pf  
229 PCl phosphorus chloride pcl  
230 SbF Antimony monofluoride sbf  
231 SbCl Antimony monochloride sbcl  
232 ClO- chlorine monoxide anion clo-  
233 IO Iodine monoxide io  
234 ClF- clorine monofluoride anion clf-  
235 BrF- bromine fluoride anion brf-  
236 BrF+ bromine fluoride cation brf+  
237 BrCl- bromine chloride anion brcl-  
238 BrCl+ bromine chloride cation brcl+  
239 IF Iodine monofluoride if  
240 ICl Iodine monochloride icl  
241 IBr Iodine monobromide ibr  
242 I2 Iodine diatomic i2  
243 I2+ Iodine diatomic cation i2+  
244 DOCl Hypochlorous acid-d docl  
245 HOI Hypoiodous acid hoi  
246 FHF Hydrogen difluoride fhf  
247 NH2F monofluoroamine nh2f  
248 H2F2 Hydrogen fluoride dimer h2f2  
249 SiH3Br bromosilane sih3br  
250 CH3I methyl iodide ch3i  
251 SiH3I Silyl Iodide sih3i  
252 C3+ carbon trimer cation c3+  
253 C3H3 cyclopropenyl radical cpr  
254 C3H3 Propargyl radical propargyl  
255 C3H3+ Propargyl cation c3h3+  
256 C3H5+ Allyl cation allyl+  
257 Zn(CH3)2 dimethyl zinc dmz  
258 SiH2(CH3)2 dimethylsilane dms  
259 KCN Potassium cyanide kcn  
260 CuCN Copper cyanide cucn  
261 N3- azide anion n3-  
262 HCNN diazomethyl radical hcnn  
263 CH2N2 diazirine ch2n2  
264 CH2NN diazomethane ch2nn  
265 NH2CN cyanamide cyanamide  
266 CH3CN+ Acetonitrile cation ch3cn+  
267 CH3NC methyl isocyanide ch3nc  
268 CHNCH2 2H-Azirine c157164  
269 CHNHCH 1H-Azirine chnhch  
270 H2CCNH Ethenimine ch2cnh  
271 H2CNCH methyleneaminomethylene ch2nch  
272 HCCNH2 Ethynamine hccnh2  
273 NCNH3+ Cyanamide, protonated ncnh3+  
274 CH2CHNH vinylazine ch2chnh  
275 NHCHNH2 aminomethanimine cn2h4  
276 C2H5N Aziridine c2h5n  
277 CH2CHNH2 aminoethene aminoethene  
278 CH2NCH3 N-methylmethanimine nmm  
279 CH3CHNH ethanimine ethanimine  
280 NH2BHNH2 diaminoborane nh2bhnh2  
281 C2H5NH+ Protonated Aziridine c2h5nh+  
282 NH2CH2NH2 diaminomethane nh2ch2nh2  
283 CH3NHCH3 Dimethylamine ch3nhch3  
284 CH3PHCH3 dimethylphosphine ch3phch3  
285 NH2CH2NH3+ diaminoethane, protonated pdam  
286 (CH3)2NH2+ dimethylammonium cation dmam  
287 CH3CH2NH3+ ethylamine, protonated pea  
288 CNO- fulminate cno-  
289 NCO- cyanate nco-  
290 SCN thiocyanato radical scn  
291 SCN- thiocyanide anion scn-  
292 BO2 Boron dioxide bo2  
293 BO2+ Boron dioxide cation bo2+  
294 N2O+ Nitrous oxide cation n2o+  
295 PPO Phosphorus oxide phosphide ppo  
296 CO2+ Carbon dioxide cation co2+  
297 OCS+ Carbonyl sulfide cation cos+  
298 SiO2 silicon dioxide sio2  
299 CS2+ Carbon disulfide cation cs2+  
300 SiS2 Silicon disulfide sis2  
301 CSe2 Carbon diselenide cse2  
302 SCTe Carbon sulfide Telluride scte  
303 NO2- Nitrogen dioxide anion no2-  
304 PO2 Phosphorus dioxide po2  
305 PO2- Phosphorus dioxide anion po2-  
306 PO2+ Phosphorus dioxide cation po2+  
307 AsO2 Aresenic dioxide aso2  
308 O3- Ozone anion o3-  
309 O3+ Ozone cation o3+  
310 SO2- Sulfur dioxide anion so2-  
311 SO2+ Sulfur dioxide cation so2+  
312 S3- Sulfur trimer anion s3-  
313 TeO2 Tellurium Dioxide teo2  
314 CS2H+ Carbon disulfide, protonated cs2h+  
315 HNCO Isocyanic acid hnco  
316 HOCN cyanic acid hocn  
317 HNCS Isothiocyanic acid hncs  
318 HSCN thiocyanic acid hscn  
319 HCO2- formate anion hco2-  
320 HNNO nitrosoazane hnno  
321 HNNO+ Nitrous oxide, N-protonated hnno+  
322 NNOH+ Nitrous Oxide, O-protonated nnoh+  
323 HOCO+ Hydrocarboxyl cation hoco+  
324 HNO2 Nitrous acid hno2  
325 HNO2+ nitrous acid cation hno2+  
326 SO2H+ protonated sulfur dioxide so2h+  
327 CH2CO+ Ketene cation ch2co+  
328 HCCOH ethynol hccoh  
329 CH2O2 Dioxirane diox  
330 H2O3 Hydrogen trioxide h2o3  
331 HSSSH trisulfane hsssh  
332 NaOCH3 Sodium methoxide naoch3  
333 CH2CHO Vinyloxy radical ch2cho  
334 CH3CO Acetyl radical ch3co  
335 CH3CO- Acetyl anion ch3co-  
336 CHSNH2 thioformamide chsnh2  
337 CH2OOH CH2OOH radical ch2ooh  
338 CH3OO methylperoxy radical ch3oo  
339 CH3OO- methylperoxy anion ch3oo-  
340 CH3OO+ methylperoxy cation ch3oo+  
341 CH2CHOH ethenol ch2choh  
342 CH3CHS Thioacetaldehyde ch3chs  
343 NH3CHO+ Formamide, N-Protonated nh3cho+  
344 CH2(OH)2 methanediol ch2o2h2  
345 CH3OOH Methyl peroxide ch3ooh  
346 H2OH2CO water formaldehyde dimer h2oh2co  
347 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
348 CH3CHOH+ acetaldehyde, protonated ch3choh+  
349 CH3OCH2 methoxymethyl radical ch3och2  
350 NH2CH2OH aminomethanol nh2ch2oh  
351 CH3SeCH3 dimethylselenide dmse  
352 CH3OHH2O methanol water dimer ch3ohh2o  
353 H2OCH3OH water methanol dimer h2och3oh  
354 CuF2 Copper difluoride cuf2  
355 ZnF2 Zinc difluoride znf2  
356 FCN Cyanogen fluoride fcn  
357 ClCN chlorocyanogen clcn  
358 ICN Cyanogen iodide icn  
359 MgCl2 Magnesium dichloride mgcl2  
360 CaCl2 Calcium Chloride cacl2  
361 ZnCl2 Zinc dichloride zncl2  
362 CaBr2 Calcium dibromide cabr2  
363 CaF2 Calcium difluoride caf2  
364 BrNO Nitrosyl bromide brno  
365 INO Nitrosyl iodide ino  
366 CF2- Difluoromethylene anion cf2-  
367 CF2+ Difluoromethylene cation cf2+  
368 SiF2+ Silicon difluoride cation sif2+  
369 CCl2 dichloromethylene ccl2  
370 CCl2- dichloromethylene anion ccl2-  
371 CCl2+ dichloromethylene cation ccl2+  
372 SiCl2 Dichlorosilylene sicl2  
373 CBr2 dibromomethylene cbr2  
374 FOO Dioxygen monofluoride radical foo  
375 ClOO chloroperoxy radical cloo  
376 ClOO+ chloroperoxy cation cloo+  
377 OClO+ Chlorine dioxide cation oclo+  
378 ClS2 Sulfur chloride cls2  
379 OBrO Bromine dioxide radical obro  
380 NF2 Difluoroamino radical nf2  
381 NF2+ Difluoroamino cation nf2+  
382 F2O Difluorine monoxide f2o  
383 SF2+ sulfur difluoride cation sf2+  
384 Cl2O Dichlorine monoxide cl2o  
385 BrOCl Bromine hypochlorite brocl  
386 BrOBr Bromine oxide brobr  
387 F3- trifluoride anion f3-  
388 Cl3- trichloride anion cl3-  
389 I3- triiodide i3-  
390 HCCF+ fluoroacetylene cation hccf+  
391 HCCCl Chloroacetylene hcccl  
392 HCCBr bromoacetylene hccbr  
393 HFCO formyl fluoride hfco  
394 BHF2 Difluoroborane bhf2  
395 BHCl2 Borane, dichloro- bhcl2  
396 CHCl2 dichloromethyl radical chcl2  
397 CHBr2 dibromomethyl radical chbr2  
398 CH2FCl fluorochloromethane ch2fcl  
399 CH2BrF Methane, bromofluoro- ch2fbr  
400 CH2FI fluoroiodomethane ch2fi  
401 CH2ClI chloroiodomethane ch2cli  
402 CH2BrI bromoiodomethane ch2bri  
403 CH2I2 Diiodomethane ch2i2  
404 CH2CHF+ fluoroethene cation ch2chf+  
405 C2H3Cl Ethene, chloro- ch2chcl  
406 C2H3Br vinyl bromide c2h3br  
407 C2H3I Vinyl iodide c2h3i  
408 CH3OCl methyl hypochlorite ch3ocl  
409 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
410 CHClCH3 1-chloroethyl radical chclch3  
411 C2H5F fluoroethane c2h5f  
412 CH3CH2Cl Ethyl chloride c2h5cl  
413 CH3SiFH2 fluoromethylsilane ch3sifh2  
414 C2H5I Ethyl iodide c2h5i  
415 XeF2 Xenon difluoride xef2  
416 C4+ Carbon tetramer cation c4+  
417 C4H2 Diacetylene c4h2  
418 C2H3CCH 1-Buten-3-yne c2h3cch  
419 H2CCCCH2 Butatriene h2cccch2  
420 C4H6 Cyclobutene c822355  
421 C4H6 Methylenecyclopropane c6142730  
422 CH2CCHCH3 1,2-Butadiene butad12  
423 CH2CHCHCH2 1,3-Butadiene c106990  
424 CH3CCCH3 2-Butyne c503173  
425 CHCCH2CH3 1-Butyne c107006  
426 CH3CHCHCH2 methylallyl radical c4h7  
427 C4H8 methylcyclopropane mcp  
428 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
429 CH2CHCH2CH3 1-Butene bute1  
430 CH3CHCHCH3 2-Butene, (E)- bute2e  
431 CH3CHCHCH3 2-Butene, (Z)- bute2z  
432 B(CH3)3 trimethylborane bme3  
433 Al(CH3)3 trimethyl aluminum tma  
434 C(CH3)3 Tert-butyl radical tbutyl  
435 CH2CH(CH3)2 Isobutyl radical isobutyl  
436 CH3CHCH2CH3 2-Butyl radical butyl2  
437 CH3CH(CH3)CH3 Isobutane isobutane  
438 SiH(CH3)3 trimethylsilane trimsi  
439 C2N2+ Cyanogen cation c2n2+  
440 P4 Phosphorus tetramer p4  
441 HCCCN Cyanoacetylene hcccn  
442 C3H3N acrylonitrile ch2chcn  
443 CH3N3 methyl azide ch3n3  
444 NH2CCNH2 Diaminoacetylene daa  
445 NH2CH2CN Aminoacetonitrile aan  
446 CH3NHN2+ methyl azide, protonated ch3nhn2+  
447 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
448 H2NCHCHNH2 diaminoethylene dae  
449 CH6N3+ guanidinium ch6n3+  
450 C3H7N Cyclopropylamine cpram  
451 C3H7N Azetidine azet  
452 C4H8 cyclobutane cbutane  
453 C2H8N2 Ethylenediamine ethdiam  
454 CH3NHNHCH3 dimethyl hydrazine dmh  
455 CH3CH(NH2)CH3 2-Propanamine pram2  
456 N(CH3)3 Trimethylamine trimeam  
457 NH2CH2CH2CH3 1-Propanamine pram1  
458 P(CH3)3 trimethylphosphine tmp  
459 As(CH3)3 trimethyl arsine tmas  
460 (CH3)3NH+ protonated trimethyl amine ptma  
461 C3H7NH3+ n-propylamine, protonated c3h7nh2  
462 Li2O2 dilithium dioxide li2o2  
463 K2O2 dipotassium dioxide k2o2  
464 B2O2 Diboron dioxide b2o2  
465 CO3 Carbon trioxide co3  
466 CO3-- carbonate co3--  
467 CS3-- Carbonotrithioate cs3--  
468 NO3 Nitrogen trioxide no3  
469 NO3+ nitrogen trioxide cation no3+  
470 SO3+ Sulfur trioxide cation so3+  
471 SeO3 selenium trioxide seo3  
472 TeO3 Tellurium trioxide teo3  
473 HCO3- bicarbonate anion hco3-  
474 HSO3 Hydroxysulfonyl radical hso3  
475 NH2NO2 nitramide nh2no2  
476 C2H2CO cyclopropenone c2h2co  
477 HCCCHO 2-propynal hcccho  
478 C2H2O2+ Ethanedial cation c2h2o2+  
479 H2CO3 Carbonic acid h2co3  
480 H2CS3 thiocarbonic acid h2cs3  
481 H2NO3+ Nitric Acid, Protonated h2no3+  
482 H2SO3 Sulfurous acid h2so3  
483 C2H3NO Nitrosoethylene c2h3no  
484 HOCH2CN cyanomethanol hoch2cn  
485 CH3COO- acetate anion ch3coo-  
486 CH3ONO Methyl nitrite ch3ono  
487 NH2COOH Carbamic acid nh2cooh  
488 H3BO3 Boric acid h3bo3  
489 H3CO3+ carbonic acid, protonated h3co3+  
490 C3H4O 2-Propyn-1-ol c107197  
491 C3H4O allenol c9000071  
492 C3H4O Cyclopropanone cpone  
493 C3H4O Methylketene c6004440  
494 NH2CONH2+ Urea cation urea+  
495 NH2CSNH2 Thiourea thiourea  
496 C2H4O2 1,3-dioxetane c2h4o2  
497 CH3COOH Acetic acid ch3cooh  
498 CH3OCHO methyl formate ch3ocho  
499 CHOCH2OH hydroxy acetaldehyde haa  
500 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
501 NH3COOH+ protonated Carbamic acid nh3cooh+  
502 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
503 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
504 HCOOHH2O Formic acid water dimer hcoohh2o  
505 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
506 CH2C(OH)NH2 1-amino vinyl alchohol ava  
507 CH3C(OH)=NH Ethaninidic acid eia  
508 CH3CHNOH Acetaldoxime acetaldoxime  
509 CH3CONH2 Acetamide acetamide  
510 HCONHCH3 N-methylformamide nmfa  
511 CH3CSNH2 Ethanethioamide ch3csnh2  
512 CH5N2O+ urea, N-protonated ch4n2o+  
513 H2NCOHNH2+ urea, protonated ureah+  
514 C2H5OO ethylperoxy radical c2h5oo  
515 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
516 C3H5OH Cyclopropanol cproh  
517 C3H6O 2-Propen-1-ol c107186  
518 C3H6O Acetone enol enol  
519 C3H6O Oxetane oxetane  
520 C3H6O Propylene oxide prox  
521 CH3COCH3- acetone anion ch3coch3-  
522 C3H6S Thietane thietane  
523 C3H6S Thiirane, methyl- methiirane  
524 CH3CSCH3 Thioacetone ch3csch3  
525 C2H6O2 1,2-Ethanediol ethdiol  
526 CH3OOCH3 dimethylperoxide dmp  
527 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
528 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
529 CH3COHCH3+ acetone, protonated acetoneh+  
530 HOCH2CH2NH2 monoethanolamine mea  
531 CH3CHOHCH3 Isopropyl alcohol isoproh  
532 CH3OC2H5 Ethane, methoxy- etome  
533 C3H7SH 1-Propanethiol prsh  
534 CH3CHSHCH3 2-Propanethiol isoprsh  
535 CH3SCH2CH3 Ethane, (methylthio)- etsme  
536 H2OCH3OCH3 water dimethylether dimer h2och3och3  
537 Na2F2 Sodium Fluoride Dimer na2f2  
538 Na2Cl2 Disodium dichloride na2cl2  
539 C2F2 difluoroacetylene c2f2  
540 C2Cl2 dichloroacetylene c2cl2  
541 C2Cl2+ dichloroacetylene cation c2cl2+  
542 FNO2 Nitryl fluoride fno2  
543 FONO Nitrosyl hypofluorite fono  
544 ClNO2 Nitryl chloride clno2  
545 ClONO chlorine nitrite clono  
546 BrONO Bromine nitrite brono  
547 N2F2 (Z)-Difluorodiazene n2f2_z  
548 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
549 CCl2O Phosgene cl2co  
550 COBr2 Carbonic dibromide cobr2  
551 BClF2 Chlorodifluoroborane bclf2  
552 AlF2Cl Aluminum chloride difluoride alclf2  
553 ScF3 Scandium trifluoride ScF3  
554 AlFCl2 Aluminum dichloride fluoride alcl2f  
555 AlCl3 Aluminum trichloride alcl3  
556 BBr3 Boron tribromide bbr3  
557 AlBr3 Aluminum Bromide albr3  
558 ClO3 Chlorine trioxide clo3  
559 ClO3- chlorate anion clo3-  
560 BrO3- Bromate anion bro3-  
561 CF3 Trifluoromethyl radical cf3  
562 CF3- Trifluoromethyl anion cf3-  
563 CF3+ Trifluoromethyl cation cf3+  
564 SiF3 Silicon trifluoride radical sif3  
565 CCl3 Trichloromethyl radical ccl3  
566 CCl3- Trichloromethyl anion ccl3-  
567 CCl3+ Trichloromethyl cation ccl3+  
568 SiCl3 trichlorosilyl radical sicl3  
569 CBr3 tribromomethyl radical cbr3  
570 FOOF Perfluoroperoxide foof  
571 F2SO Thionyl Fluoride f2so  
572 ClOOCl Dichlorine dioxide cloocl  
573 FSSF Difluorodisulfane fssf  
574 S2F2 Thio-thionyl fluoride s2f2  
575 SOCl2 thionyl chloride socl2  
576 SeOCl2 selenium oxychloride seocl2  
577 PF3 Phosphorus trifluoride pf3  
578 AsF3 Arsenic trifluoride asf3  
579 PCl3 Phosphorus trichloride pcl3  
580 SbF3 Antimony Trifluoride sbf3  
581 AsCl3 Arsenous trichloride ascl3  
582 SbCl3 Antimony Trichloride sbcl3  
583 AsBr3 Arsenic tribromide asbr3  
584 NI3 Nitrogen triiodide ni3  
585 PI3 Phosphorus triiodide pi3  
586 ClSSCl Disulfur dichloride s2cl2  
587 ClF3 Chlorine trifluoride clf3  
588 BrF3 Bromine trifluoride brf3  
589 IF3 iodone trifluoride if3  
590 CHF2Cl difluorochloromethane chf2cl  
591 CHFCl2 fluorodichloromethane chfcl2  
592 CDCl3 trichloromethane-d cdcl3  
593 SiHCl3 Trichlorosilane sihcl3  
594 CHF2I difluoroiodomethane chf2i  
595 CHBr2F dibromofluoromethane chbr2f  
596 CHFClI fluorochloroiodomethane chfcli  
597 CHCl2I dichloroiodomethane chcl2i  
598 CHClBr2 Methane, dibromochloro- chclbr2  
599 CHBr3 bromoform chbr3  
600 CHI3 Iodoform chi3  
601 NF3H+ protonated nitrogen trifluoride nf3h+  
602 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
603 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
604 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
605 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
606 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
607 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
608 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
609 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
610 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
611 C2H2Br2 1,1-dibromoethene c2h2br2  
612 CH2FCHO Fluoroacetaldehyde ch2fcho  
613 CH3COF Acetyl fluoride ch3cof  
614 CH2ClCHO chloroacetaldehyde ch2clcho  
615 CH3COCl Acetyl Chloride ch3cocl  
616 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
617 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
618 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
619 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
620 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
621 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
622 CH2CFCH3 2-fluoropropene 2fpro  
623 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
624 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
625 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
626 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
627 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
628 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
629 CH2FCH2CH3 1-Fluoropropane prf1  
630 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
631 CH3CH2CH2Br n-propyl bromide prbr  
632 CH3CHBrCH3 i-propyl bromide iprbr  
633 C3H9O+ trimethyl oxonium cation c3h9o+  
634 C5H5 cyclopentadienyl radical c5h5  
635 C5H5- cylopentadienyl anion c5h5-  
636 C5H6 1,3-Cyclopentadiene c542927  
637 C5H6 1-Buten-3-yne, 2-methyl- c78808  
638 C5H6 3-Penten-1-yne, (E)- c2004695  
639 C5H6 3-Penten-1-yne, (Z)- c1574409  
640 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
641 C5H6 Cyclopropylacetylene c6746947  
642 C5H6 Propellane propellane  
643 C5H7 1,3-pentadienyl radical pdyl  
644 C5H7 cyclopentenyl radical cpyl  
645 C5H8 1,2-Butadiene, 3-methyl- c598254  
646 C5H8 1,2-Pentadiene c591957  
647 C5H8 1,3-Butadiene, 2-methyl- c78795  
648 C5H8 1,3-Pentadiene, (E)- c2004708  
649 C5H8 1,3-Pentadiene, (Z)- c1574410  
650 C5H8 1,4-Pentadiene c591935  
651 C5H8 1-pentyne a1pentyne  
652 C5H8 2,3-Pentadiene c591968  
653 C5H8 Cyclobutane, methylene- c1120565  
654 C5H8 Cyclopentene c142290  
655 C5H8 Ethenylcyclopropane c693867  
656 CH3CCCH2CH3 2-Pentyne 2pentyne  
657 C5H10 1-Butene, 2-methyl- c563462  
658 C5H10 2-Butene, 2-methyl- c513359  
659 C5H10 2-Pentene, (E)- c646048  
660 C5H10 2-Pentene, (Z)- c627203  
661 C5H10 Cyclopentane c287923  
662 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
663 CH2CHCH2CH2CH3 1-pentene pentene  
664 C5H11 2-Methylbut-2-yl radical c4348350  
665 C5H12 Butane, 2-methyl- buta2  
666 C5H12 Pentane pentane  
667 C5H12 Propane, 2,2-dimethyl- neopentane  
668 Si(CH3)4 tetramethylsilane tms  
669 N2O3 Dinitrogen trioxide n2o3  
670 C3H2N2 Malononitrile c3h2n2  
671 CH2N4 1H-Tetrazole 1htz  
672 C3H3N2 imidazolyl radical im  
673 C3H3N2- imidizolyl anion im-  
674 C2H3N3 1H-1,2,4-Triazole c288880  
675 C4H4N pyrrolide radical c4h4n  
676 C4H4N- pyrrolide anion c4h4n-  
677 C3H4N2 1H-Imidazole 1himidaz  
678 C3H4N2 1H-Pyrazole 1hpyraz  
679 C3H4N2 2H-Imidazole imid2h  
680 C4H5N (E)-2-Butenenitrile c627269  
681 C4H5N (Z)-2-Butenenitrile c1190767  
682 C4H5N 2H-pyrrole pyrrole2  
683 C4H5N 3H-pyrrole pyrrole3  
684 C4H5N Cyclopropanecarbonitrile c5500210  
685 C4H5N Pyrrole pyrrole  
686 CH2CHCH2CN Allylcyanide ch2chch2cn  
687 C4H6N+ pyrrole, alpha-protonated appyr  
688 C4H6N+ pyrrole, beta-protonated bppyr  
689 C4H6N+ pyrrole, protonated ppyr  
690 C3H6N2 3-Aminopropionitrile c151188  
691 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
692 CH3CH2CH2CN Butanenitrile c109740  
693 C5H8 Bicyclo[2.1.0]pentane c185944  
694 C5H8 Spiropentane c157404  
695 C4H9N Cyclobutylamine cbam  
696 C4H9N Pyrrolidine pyrrolidine  
697 C3H10N2 1,2-Diaminopropane diampr12  
698 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
699 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
700 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
701 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
702 NH(C2H5)2 diethylamine dea  
703 NC4H12+ tetramethyl ammonium cation nc4h12+  
704 C3O2+ Carbon suboxide cation c3o2+  
705 MgCO3 Magnesium Carbonate mgco3  
706 BeCO3 Beryllium Carbonate beco3  
707 CaCO3 Calcium Carbonate caco3  
708 ONONO Nitrosyl nitrite onono  
709 PO4--- phosphate po4---  
710 SO4-- sulfate so4--  
711 HOONO2 peroxy nitric acid hoono2  
712 HSO4- bisulfate anion hso4-  
713 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
714 CHOCOOH oxo acetic acid oaa  
715 CHOOCHO diformyl ether choocho  
716 H2SO4 Sulfuric acid h2so4  
717 H2SeO4 Selenic acid h2seo4  
718 C3H3NO Oxazole oxazole  
719 C3H3NS Thiazole thiazole  
720 CH3C(O)OO acetyl peroxy radical ch3coo2  
721 CH3NO3 Methyl nitrate ch3no3  
722 H3PO4 Phosphoric Acid h3po4  
723 C4H4O+ Furan cation furan+  
724 CH3COCCH 3-butyn-2-one c1423605  
725 C4H4S Thiophene furans  
726 C4H4Se selenophene c4h4se  
727 C3H4O2 β–Propiolactone beta  
728 C3H4O2 2-Propenoic acid propenoic2  
729 C3H4O2 Methyl glyoxal megly  
730 C3H4O2 propanedial propanedial  
731 C3H4O2 propenalol propenalol  
732 HOCHCCHOH allenediol aldiol  
733 C2H4O3 trioxolane124 triox  
734 HOCH2COOH Hydroxyacetic acid hac  
735 CH2CHCONH2 Acrylamide c79061  
736 CH3OCH2CN Methoxyacetonitrile c1738369  
737 CH5N3S Hydrazinecarbothioamide c79196  
738 H2NCH2COOH Glycine glycine  
739 CH3SO2NH2 methanesulfonamide ch3so2nh2  
740 C4H6O cis-2-butenal butenal2c  
741 C4H6O Cyclobutanone cbutone  
742 C4H6O Furan, 2,3-dihydro- furan23h  
743 C4H6O Furan, 2,5-dihydro- furan25h  
744 CH2CHOCHCH2 Vinyl ether vinylether  
745 CHOCHCHCH3 2-Butenal butenal2  
746 C4H6S Thiophene, 2,3-dihydro- thiop23h  
747 C4H6S Thiophene, 2,5-dihydro- thiop25h  
748 C2H6N2O Urea, methyl- c598505  
749 C3H6O2 1,3-Dioxolane dioxolane  
750 CH3CH2COOH Propanoic Acid propanoic  
751 CH3COOCH3 methyl acetate aame  
752 HCOOC2H5 Ethyl formate faee  
753 C2H6O2S Dimethyl sulfone c67710  
754 CH3SSSCH3 dimethyl trisulfide c2h6s3  
755 C3H7NO dimethylformamide dmf  
756 C3H7NO Propanamide propanam  
757 C2H3OC2H5 Ethene, ethoxy- c109922  
758 C4H8O Cyclobutanol c2919235  
759 C4H8O Furan, tetrahydro- thf  
760 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
761 CH3COCH2CH3 2-Butanone buta2one  
762 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
763 CHOCH2CH2CH3 Butanal butanal  
764 C4H8S Thiophene, tetrahydro- tht  
765 C3H8O2 1,3-Propanediol c504632  
766 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
767 C3H8O2 Methane, dimethoxy- c109875  
768 C3H8O2 Propylene glycol c57556  
769 C3H8S2 1,3-Propanedithiol c109808  
770 C4H10O 1-Butanol butanol1  
771 C4H10O 1-Propanol, 2-methyl- c78831  
772 C4H10O 2-Butanol, (.+/-.)- butanol2  
773 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
774 C4H10O Methyl propyl ether meopr  
775 C4H10O Propane, 2-methoxy- c598538  
776 C4H10O+ 1-Butanol cation butanol1+  
777 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
778 C2H5SC2H5 Diethyl sulfide etset  
779 C4H9SH 1-Butanethiol bush  
780 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
781 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
782 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
783 FNO3 Fluorine nitrate fno3  
784 ClONO2 Chlorine nitrate clono2  
785 BrONO2 Bromine nitrate brono2  
786 TiCl4 Titanium tetrachloride ticl4  
787 ClO4- perchlorate anion clo4-  
788 BF4- tetrafluoroboron anion bf4-  
789 ClFO3 Perchloryl fluoride clfo3  
790 SO2F2 Sulfuryl fluoride so2f2  
791 SO2Cl2 Sulfuryl chloride so2cl2  
792 F3NO Nitrogen trifluoride oxide f3no  
793 F3PO Phosphoryl fluoride pf3o  
794 Cl3PO Phosphoryl chloride pcl3o  
795 CF4 Carbon tetrafluoride cf4  
796 SiF4 Silicon tetrafluoride sif4  
797 TiF4 Titanium tetrafluoride tif4  
798 CFCl3 Trichloromonofluoromethane cfcl3  
799 CCl4+ Carbon tetrachloride cation ccl4+  
800 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
801 SiCl4 Silane, tetrachloro- sicl4  
802 CBrCl2F bromodichlorofluoromethane cbrcl2f  
803 CF3I trifluoroiodomethane cf3i  
804 CBrCl3 Methane, bromotrichloro- cbrcl3  
805 CBr2F2 Methane, dibromodifluoro- cbr2f2  
806 GeCl4 Germanium Tetrachloride gecl4  
807 CBr2ClF dibromochlorofluoromethane cbr2clf  
808 CBr2Cl2 dibromodichloromethane cbr2cl2  
809 CCl3I trichloroiodomethane ccl3i  
810 CFBr3 fluorotribromomethane cfbr3  
811 CFClBrI fluorochlorobromoiodomethane cfclbri  
812 CBr3Cl tribromochloromethane cbr3cl  
813 CF2I2 difluorodiiodomethane cf2i2  
814 CBr4 Carbon tetrabromide cbr4  
815 CCl2I2 dichlorodiiodomethane ccl2i2  
816 SiBr4 Silicon tetrabromide sibr4  
817 CBr3I tribromoiododmethane cbr3i  
818 GeBr4 Germanium tetrabromide gebr4  
819 CI4 tetraiodomethane ci4  
820 SiI4 silicon tetraiodide sii4  
821 ClOF3 Chlorine trifluoride oxide clof3  
822 SeF4 Selenium tetrafluoride sef4  
823 SCl4 Sulfur tetrachloride scl4  
824 C2HF3 Trifluoroethylene c2hf3  
825 C2HF3+ Trifluoroethylene cation c2hf3+  
826 CHClCCl2 Trichloroethylene chclccl2  
827 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
828 HClO4 perchloric acid hclo4  
829 HSO3F Fluorosulfonic acid hso3f  
830 CF3OH trifluoromethanol cf3oh  
831 CHClCCHCl 1,3-dichloroallene chclcchcl  
832 CHCl2CHO dichloroacetaldehyde chcl2cho  
833 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
834 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
835 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
836 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
837 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
838 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
839 SiCl3CH3 methyltrichlorosilane sicl3ch3  
840 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
841 NH3BCl3 Amminetrichloroboron nh3bcl3  
842 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
843 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
844 C3H5ClO Oxirane, (chloromethyl)- c106898  
845 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
846 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
847 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
848 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
849 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
850 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
851 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
852 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
853 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
854 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
855 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
856 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
857 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
858 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
859 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
860 C4H9F 1-fluorobutane butaf1  
861 CH3CHFCH2CH3 2-fluorobutane butaf2  
862 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
863 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
864 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
865 XeF4 Xenon tetrafluoride xef4  
866 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
867 NH3BF3 Amminetrifluoroboron nh3bf3  
868 C6H2 hexatriyne c6h2  
869 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
870 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
871 C6H4 Benzyne benzyne  
872 C6H5 phenyl phenyl  
873 C6H5- phenyl anion phenyl-  
874 C6H6 Prismane prismane  
875 C6H6 1,2,4,5-Hexatetraene ht1245  
876 C6H6 2,4-Hexadiyne hexadiyne  
877 C6H6 3,4-Dimethylenecyclobutene cb34m  
878 C6H6 Benzvalene bv  
879 C6H6 Dewar Benzene dewar  
880 C6H6 Hexa-1,5-diene-3-yne hdy153  
881 C6H6 Trimethylenecycopropane tmcp  
882 C6H6+ Benzene cation c6h6+  
883 C6H7+ benzene, protonated c6h7+  
884 C6H8 (E)-hexa-1,3,5-triene c821078  
885 C6H8 (E)-hexa-2,3,4-triene c59660650  
886 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
887 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
888 C6H8 1,3-Cyclohexadiene cyhexadiene13  
889 C6H8 1,4-Cyclohexadiene cyhexadiene14  
890 C6H8 3-Methylenecyclopentene c930267  
891 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
892 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
893 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
894 C6H10 1,3-Hexadiene, (E)- hexdi13e  
895 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
896 C6H10 1,4-Hexadiene, (E)- hexdi14t  
897 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
898 C6H10 1,5-Hexadiene c592427  
899 C6H10 1-Butyne, 3,3-dimethyl- c917920  
900 C6H10 1-Hexyne hexyne1  
901 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
902 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
903 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
904 C6H10 2-Hexyne c764352  
905 C6H10 3-Hexyne hexyne3  
906 C6H10 cyclohexene cyclohexene  
907 C6H10 Cyclopentene, 1-methyl- c693890  
908 C6H10 Cyclopentene, 3-methyl- c1120623  
909 C6H10 Cyclopentene, 4-methyl- c1759815  
910 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
911 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
912 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
913 C6H12 (E)-2-Hexene e2hexene  
914 C6H12 (E)-3-methylpent-2-ene c616126  
915 C6H12 (E)-hex-3-ene e3hexene  
916 C6H12 (Z)-3-methylpent-2-ene c922623  
917 C6H12 (Z)-hex-2-ene z2hexene  
918 C6H12 (Z)-hex-3-ene z3hexene  
919 C6H12 2,3-dimethylbut-1-ene c563780  
920 C6H12 2,3-dimethyl-but-2-ene tmeet  
921 C6H12 3-methylenepentane c760214  
922 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
923 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
924 C6H12 Cyclohexane cyclohexane  
925 C6H12 Cyclopentane, methyl- c96377  
926 C6H12 Ethylcyclobutane c4806615  
927 C6H12 hex-1-ene hexene1  
928 C6H14 Butane, 2,2-dimethyl- buta22  
929 C6H14 Butane, 2,3-dimethyl- buta23  
930 C6H14 Hexane hexane  
931 C6H14 Pentane, 2-methyl- penta2  
932 C6H14 Pentane, 3-methyl- penta3  
933 C4N2 2-Butynedinitrile c4n2  
934 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
935 C4H2N2 Fumaronitrile c4h2n2  
936 C2H2N4 sym-tetrazine ttz  
937 C3H3N3 1,3,5-Triazine triazine135  
938 CH3N5 5-Aminotetrazole c4418615  
939 C4H4N2 1,3-Diazine diazine13  
940 C4H4N2 Pyrazine pyrazine  
941 C4H4N2 Pyridazine pyridazine  
942 C4H4N2 Succinonitrile c110612  
943 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
944 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
945 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
946 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
947 C5H5N E-2,4-pentadienenitrile bdcn  
948 C5H5N Pyridine pyridine  
949 B3N3H6 borazine borazine  
950 C6H6 Fulvene fulvene  
951 C5H6N+ Pyridinium c5h6n  
952 C4H6N2 1H-Imidazole, 2-methyl- c693981  
953 C5H7N (E)-2-Pentenenitrile c26294984  
954 C5H7N (E)-3-Pentenenitrile c16529661  
955 C5H7N (Z)-2-Pentenenitrile c25899507  
956 C5H7N 1H-Pyrrole, 1-methyl- c96548  
957 C5H7N Cyclobutanecarbonitrile c4426113  
958 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
959 C5H9N Butanenitrile, 2-methyl- c18936179  
960 C5H9N Pentanenitrile c110598  
961 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
962 C6H10 Bicyclo[3.1.0]hexane c285585  
963 C5H11N Cyclopentanamine cypentam  
964 C5H11N Piperidine piper  
965 C4H12N2 1,2-Butanediamine c4426486  
966 C4H12N2 2-Methyl-1,2-propanediamine c811938  
967 Li2CO3 Lithium Carbonate li2co3  
968 Na2CO3 Sodium Carbonate na2co3  
969 C2O4-- oxalate anion c2o4  
970 MgSO4 Magnesium Sulfate mgso4  
971 N2O4 Dinitrogen tetroxide n2o4  
972 C2H2O4 Oxalic Acid oxalic  
973 C2H3NO3 Oxamic acid oxamic  
974 C4H4O2 2(5H)-Furanone furanone  
975 C4H4O2 2-Oxetanone, 4-methylene- c674828  
976 C2H4N2O2 Oxalamide oxalamide  
977 C2H4N2S2 Ethanedithioamide c79403  
978 C2H4CO3 Ethylene carbonate etco3  
979 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
980 C3H4S3 1,3-Dithiolane-2-thione c822388  
981 C2H4O4 Formic acid dimer fadimer  
982 C4H5NO 3-Methylisoxazole isox3m  
983 C4H5NO Isoxazole, 5-methyl- c5765446  
984 C4H5NS 4-Methylthiazole c693958  
985 C2H5NO3 Nitric acid, ethyl ester c625581  
986 C5H6O 2-methylfuran furan2m  
987 C5H6O 3-Methylfuran furan3m  
988 C5H6O Pentadienal pdal  
989 C5H6S Thiophene, 2-methyl- c554143  
990 C5H6S Thiophene, 3-methyl- c616444  
991 C4H6O2 2,3-Butanedione c431038  
992 C4H6O2 2-Propenoic acid, methyl ester c96333  
993 C4H6O2 Crotonic Acid crot  
994 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
995 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
996 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
997 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
998 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
999 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1000 C4H6OS Vinyl sulfoxide c1115157  
1001 CH6N4S Carbonothioic dihydrazide thiacarb  
1002 C2H6N2O2 (E)-Azodioxymethane c37765154  
1003 C2H6N2O2 Dimethylnitroamine c4164287  
1004 C3H6S3 1,3,5-Trithiane c3h6s3  
1005 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1006 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1007 C4H7NO 2-Pyrrolidinone c616455  
1008 C4H7NO Ethoxyacetonitrile etoaccn  
1009 C4H7NO Methacrylamide c79390  
1010 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1011 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1012 C3H7ONO Propyl nitrite prono  
1013 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1014 CH3CH(NH2)COOH Alanine alanine  
1015 CH3NHCH2COOH Sarcosine sarcosine  
1016 NH2CH2CH2COOH β–alanine betaalanine  
1017 NH2COOC2H5 Urethane urethane  
1018 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1019 C5H8O Cyclopentanone c120923  
1020 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1021 C5H8O Methyl cyclopropyl ketone c765435  
1022 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1023 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1024 NH2CONHC2H5 Urea, ethyl- c625525  
1025 C4H8O2 1,3-Dioxane dioxan13  
1026 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1027 C4H8O2 1,4-Dioxane dioxan14  
1028 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1029 C4H8OS s-Ethyl thioacetate c625605  
1030 C3H8O3 1,2,3-Propanetriol glycerin  
1031 C3H8O2S (Methylsulfonyl)ethane c594434  
1032 C4H9NO Butanamide c541355  
1033 C4H9NO Propanamide, 2-methyl- c563837  
1034 C5H10O 2-Butanone, 3-methyl- c563804  
1035 C5H10O 2H-Pyran, tetrahydro- c142687  
1036 C5H10O 2-methylbutyraldehyde 2meba  
1037 C5H10O 2-Pentanone mpk  
1038 C5H10O 3-Pentanone dek  
1039 C5H10O Cyclopentanol c96413  
1040 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1041 C5H10O Pentanal pal  
1042 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1043 C5H10S 3-Ethylthio-1-propene c5296628  
1044 C5H10S Cyclopentanethiol c1679078  
1045 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1046 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1047 C4H10O2 1,1-Dimethoxyethane c534156  
1048 C4H10O2 1,3-Butanediol budiol13  
1049 C4H10O2 1,4-Butanediol budiol14  
1050 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1051 C4H10OS Diethyl sulfoxide c70291  
1052 C4H10S2 1,4-Butanedithiol budisl14  
1053 C4H11NO Diethylhydroxylamine c3710847  
1054 C5H12O 1-Butanol, 2-methyl- c137326  
1055 C5H12O 1-Butanol, 3-methyl- c123513  
1056 C5H12O 1-Pentanol pentanol1  
1057 C5H12O 2-Butanol, 3-methyl- c598754  
1058 C5H12O 2-Pentanol peol2  
1059 C5H12O 3-Pentanol pentan3ol  
1060 C5H12O Butane, 1-methoxy- meobu  
1061 C5H12O Propane, 1-ethoxy- proet  
1062 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1063 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1064 C5H12S 1-Butanethiol, 3-methyl- c541311  
1065 C5H12S 1-Pentanethiol c110667  
1066 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1067 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1068 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1069 C5H12S Butane, 1-(methylthio)- c628295  
1070 C5H12S Ethyl propyl sulfide c4110503  
1071 C5H12S Propane, 2-(ethylthio)- c5145993  
1072 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1073 C4F2 difluorobutadiyne c4f2  
1074 ClCOClCO Oxalyl chloride oxcl  
1075 CF3CN Acetonitrile, trifluoro- cf3cn  
1076 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1077 B2F4 Diboron tetrafluoride b2f4  
1078 B2Cl4 Diboron tetrachloride b2cl4  
1079 C2F4 Tetrafluoroethylene c2f4  
1080 C2F4+ Tetrafluoroethylene cation c2f4+  
1081 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1082 CF2CCl2 difluorodichloroethylene cf2ccl2  
1083 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1084 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1085 C2FCl3 fluorotrichloroethene c2fcl3  
1086 C2Cl4 Tetrachloroethylene c2cl4  
1087 C2Br4 tetrabromoethene c2br4  
1088 CF3OF Trifluoromethylhypofluorite cf3of  
1089 SiF5- silicon pentafluoride anion sif5-  
1090 SOF4 Sulfur tetrafluoride oxide sof4  
1091 AsF5 Arsenic pentafluoride asf5  
1092 PCl5 Phosphorus pentachloride pcl5  
1093 SF5 Sulfur pentafluoride sf5  
1094 SF5+ pentafluoro sulfur cation sf5+  
1095 SbCl5 Antimony pentachloride sbcl5  
1096 BrF5 bromine pentafluoride brf5  
1097 ClF5 chlorinepentafluoride clf5  
1098 IF5 pentafluoroiodine if5  
1099 CF3CHO trifluoroacetaldehyde cf3cho  
1100 CCl3CHO trichloroacetaldehyde ccl3cho  
1101 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1102 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1103 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1104 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1105 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1106 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1107 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1108 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1109 CF3COOH trifluoroacetic acid cf3cooh  
1110 C4H3ClO Furan, 2-chloro fur2cl  
1111 C4H3ClO Furan,3-chloro fur3cl  
1112 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1113 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1114 C4H8Cl2 1,4-Dichlorobutane c110565  
1115 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1116 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1117 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1118 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1119 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1120 C5H11Cl Pentane, 1-chloro- pencl1  
1121 C4H8O2 Butanoic acid bua  
1122 C6H5CH2 benzyl radical benzyl  
1123 C7H7 cycloheptatrienyl radical c7h7  
1124 C7H7+ cycloheptatrienyl cation c7h7+  
1125 C6H5CH3 toluene toluene  
1126 C7H8 cycloheptatriene cht  
1127 C7H8 Norbornadiene norbor  
1128 C7H8 Quadricyclane qucy  
1129 C7H12 Norbornane nor  
1130 C7H14 cycloheptane c7h14  
1131 C7H16 2-methylhexane 2mhex  
1132 C7H16 3-methylhexane hex3m  
1133 C7H16 heptane heptane  
1134 CH(CN)3 tricyanomethane mecn3  
1135 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1136 C6H7N 2-Methylpyridine mp  
1137 C6H5NH2 aniline aniline  
1138 C6H13N 2-Methylpiperidine pip2m  
1139 C6H13N cyclohexanamine cham  
1140 C6H15N triethylamine tea  
1141 N2O5 Dinitrogen pentoxide n2o5  
1142 C4H2O3 Maleic Anhydride malan  
1143 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1144 C6H5O phenoxy radical phenoxy  
1145 C5H5NO 2(1H)-Pyridinone c72762006  
1146 C5H5NO 2(3H)-Pyridinone c9000048  
1147 C5H5NO 2(5H)-Pyridinone c9000037  
1148 C5H5NO 2-Pyridinol c109104  
1149 C5H5NO 3(2H)-Pyridinone c9000004  
1150 C5H5NO 3(4H)-Pyridinone c9000026  
1151 C5H5NO 3(6H)-Pyridinone c9000015  
1152 C5H5NO 3-Pyridinol c109002  
1153 C5H5NO 4(1H)-Pryidinone c9000060  
1154 C5H5NO 4(3H)-Pryidinone c9000059  
1155 C5H5NO 4-Pyridinol c626642  
1156 C6H5OH phenol phenol  
1157 C6H6O 2,4-Cyclohexadienone c24599573  
1158 C6H6O 2,5-Cyclohexadienone c5664335  
1159 C6H5SH Benzenethiol phsh  
1160 HO2CCHNH2CH2OH Serine serine  
1161 C5H8O2 Acetylacetone acac  
1162 C4H8O2S Sulfolane sulfolane  
1163 C7H10 Norbornene norbornene  
1164 CH(C2H3)3 trivinyl methane tvm  
1165 C6H10O cyclohexanone chexo  
1166 C6H12O hexanal c6h12o  
1167 C3H7OC3H7 di-n-propyl ether propr  
1168 F2CCCF2 tetrafluoroallene pfa  
1169 CF3COO- trifluoro acetate anion cf3coo-  
1170 CF3COF trifluoroacetyl fluoride cf3cof  
1171 CF3COCl trifluoroacetyl chloride cf3cocl  
1172 PF6 Hexafluorophosphate neutral pf6  
1173 PF6- Hexafluorophosphate ion pf6-  
1174 SeF6 Selenium hexafluoride sef6  
1175 SF5Cl sulfur chloropentafluoride sf5cl  
1176 CF3CHF2 pentafluoroethane cf3chf2  
1177 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1178 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1179 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1180 CCl3CHCl2 pentachloroethane ccl3chcl2  
1181 C6H5F Fluorobenzene bzf  
1182 C6H5Cl chlorobenzene bzcl  
1183 C6H5Br bromobenzene bzbr  
1184 C8H6 Calicene calicene  
1185 C6H5CCH phenylacetylene phac  
1186 C8H6 benzocyclobutadiene bcbd  
1187 C8H6 Pentalene pentalene  
1188 C6H5CHCH2 Styrene styrene  
1189 C8H8 cyclooctatetraene cot  
1190 C6H5CH2CH3 Ethylbenzene etbz  
1191 CH3C6H4CH3 meta-xylene mxylene  
1192 CH3C6H4CH3 paraxylene pxylene  
1193 C8H14 Bicyclo[2.2.2]octane bico222  
1194 C8H16 cyclooctane cyclooct  
1195 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1196 C8H18 Octane c8h18  
1197 C6H5CN phenyl cyanide phcn  
1198 C4O4-- squarate dianion c4o4--  
1199 S4N4 Tetrasulfur tetranitride s4n4  
1200 S8 Octasulfur s8  
1201 C6H4O2 parabenzoquinone pbq  
1202 C4H4N2O2 Uracil uracil  
1203 C6H5OCH3 Anisole anisole  
1204 C5H9NO2 Proline proline  
1205 C6H12O2 Methyl pivalate c598981  
1206 C6H12O2 Hexanoic acid hexa  
1207 C4F4 tetrafluorcyclobutadiene c4f4  
1208 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1209 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1210 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1211 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1212 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1213 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1214 C2F6 hexafluoroethane c2f6  
1215 C2Cl6 hexachloroethane c2cl6  
1216 IF7 Iodine heptafluoride if7  
1217 C6H4F2 metadifluorobenzene mdfb  
1218 C6H4F2 orthodifluorobenzene odfb  
1219 C6H4F2 1,4-difluorobenzene pdfb  
1220 C6H4Cl2 1,2-dichlorobenzene dcb12  
1221 C6H4Cl2 1,3-dichlorobenzene dcb13  
1222 C6H4Cl2 1,4-dichlorobenzene dcb14  
1223 C6H5NO nitrosobenzene bzno  
1224 C9H8 Indene indene  
1225 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1226 C9H12 n-propyl benzene prbz  
1227 C9H20 Nonane nonane  
1228 C(CN)4 tetracyanomethane c5n4  
1229 C5H4N4 purine purine  
1230 C8H7N Indole indole  
1231 C3H3N3O3 cyanuric acid cyanuric  
1232 C6H5NO2 Nitrobenzene c6h5no2  
1233 C6H5COOH benzoic acid benzo  
1234 CH3COC6H5 acetophenone acph  
1235 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1236 C3F6 hexafluoropropene c3f6  
1237 C6H3F3 Benzene trifluoride 123 bzf3a  
1238 C8H18O 1-Octanol octanol  
1239 C10H8 Azulene azu  
1240 C10H8 naphthalene naph  
1241 C10H10 bullvalene bullv  
1242 C10H16 adamantane adamantane  
1243 C6N4 Tetracyanoethylene tcne  
1244 C6N4- tetracyanoethylene anion tcne-  
1245 C10H22 Decane decane  
1246 C4F6 perfluorobutadiene c4f6  
1247 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1248 C3F8 perfluoropropane c3f8  
1249 Fe(CO)5 Iron pentacarbonyl ipc  
1250 Fe(C5H5)2 ferrocene fecp2  
1251 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1252 C12H8 Acenaphthylene acenaph  
1253 C12H8 biphenylene biph  
1254 C12H10 biphenyl biphenyl  
1255 C12H10 Heptalene heptalene  
1256 C6H12O6 Inositol inositol  
1257 C6F6 hexafluorobenzene c6f6  
1258 S2F10 disulphur decafluoride s2f10  
1259 C14H10 Anthracene anth  
1260 C14H10 Phenanthrene phenanthrene  
1261 C14H14 Bibenzyl bibenzyl  
1262 C12H10N2 azobenzene azobenzene  
1263 C6H5COC6H5 benzophenone benzophenone  
1264 C16H10 Pyrene pyrene  
1265 C18H12 Tetracene tetracene  
1266 C19H16 Triphenylmethane tpm  
1267 C24H12 Coronene coronene  
1268 C60 Buckminsterfullerene c60