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List of which calculations are completed at MP2FC// MP2FC/6-31G* /aug-cc-pVTZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 He- Helium atom anion 2SKh
12 He+ Helium atom cation 2SKh
13 HeH+ Helium hydride cation 1ΣC∞v
14 He2+ helium diatomic cation 2ΣuD∞h
15 Li Lithium atom 2SKh
16 Li- Lithium atom anion 1SKh
17 Li+ Lithium atom cation 1SKh
18 Na Sodium atom 2SKh
19 Na- Sodium atom anion 1SKh
20 Na+ Sodium atom cation 1SKh
21 Cu Copper atom 2SKh
22 Cu- Copper atom anion 1SKh
23 Cu+ Copper atom cation 1SKh
24 LiH Lithium Hydride 1ΣC∞v
25 LiH- lithium hydride anion 2ΣC∞v
26 LiH+ lithium hydride cation 2ΣC∞v
27 NaH sodium hydride 1ΣC∞v
28 NaH- sodium hydride anion 2ΣC∞v
29 NaH+ sodium hydride cation 2ΣC∞v
30 CuH Copper monohydride 1ΣC∞v
31 Be Beryllium atom 1SKh
32 Be- Beryllium atom anion 2PKh
33 Be+ Beryllium atom cation 2SKh
34 Mg Magnesium atom 1SKh
35 Mg- Magnesium atom anion 2PKh
36 Mg+ Magnesium atom cation 2SKh
37 Zn Zinc atom 1SKh
38 BeH beryllium monohydride 2ΣC∞v
39 BeH- berylium monohydride anion 1ΣC∞v
40 BeH+ beryllium monohydride cation 1ΣC∞v
41 MgH magnesium monohydride 2ΣC∞v
42 MgH- magnesium monohydride anion 1ΣC∞v
43 MgH+ magnesium monohydride cation 1ΣC∞v
44 ZnH Zinc monohydride 2ΣC∞v
45 BeH2 beryllium dihydride 1ΣgD∞h
46 MgH2 magnesium dihydride 1ΣgD∞h
47 ZnH2 Zinc hydride 1ΣgD∞h
48 B Boron atom 2PKh
49 B- Boron atom anion 3PKh
50 B+ Boron atom cation 1SKh
51 Al Aluminum atom 2PKh
52 Al- Aluminum atom anion 3PKh
53 Al+ Aluminum atom cation 1SKh
54 BH Boron monohydride 1ΣC∞v
55 BH- boron monohydride anion 2ΠC∞v
56 BH+ boron monohydride cation 2ΣC∞v
57 AlH aluminum monohydride 1ΣC∞v
58 AlH- aluminum monohydride anion 2ΠC∞v
59 AlH+ aluminum monohydride cation 2ΣC∞v
60 BH2 boron dihydride 2A1C2v
61 AlH2 aluminum dihydride 2A1C2v
62 AlH2- aluminum dihydride anion 1A1C2v
63 AlH2+ aluminum dihydride cation 1ΣgD∞h
64 BH3 boron trihydride 1A1'D3h
65 BH3- boron trihydride anion 2A2"D3h
66 BH3+ boron trihydride cation 2B2C2v
67 AlH3 aluminum trihydride 1A1'D3h
68 AlH3- aluminum trihydride anion 2A2"D3h
69 AlH3+ aluminum trihydride cation 2ED3h
70 BH4- borohydride anion 1A1Td
71 AlH4- Aluminum tetrahydride anion 1A1Td
72 C Carbon atom 3P0Kh
73 C- Carbon atom anion 4SKh
74 C+ Carbon atom cation 2PKh
75 Si Silicon atom 3PKh
76 Si- Silicon atom anion 4SKh
77 Si+ Silicon atom cation 2PKh
78 Ti Titanium atom 3FKh
79 Ge Germanium atom 3PKh
80 CH Methylidyne 4Σ-C∞v
81 CH- methylidyne anion 3ΣC∞v
82 CH+ Methylidyne cation 1ΣC∞v
83 SiH Silylidyne 2ΠC∞v
84 SiH- silicon monohydride anion 3ΣC∞v
85 SiH+ silicon monohydride cation 1ΣC∞v
86 CH2 Methylene 1A1C2v
87 CH2- methylene anion 2B1C2v
88 CH2+ methylene cation 2A1C2v
89 SiH2 silicon dihydride 3B1C2v
90 SiH2- silicon dihydride anion 2B1C2v
91 SiH2+ silicon dihydride cation 2A1C2v
92 CH3 Methyl radical 2A1D3h
93 CH3- methyl anion 1A1C3v
94 CH3+ methyl cation 1A1'D3h
95 SiH3 Silyl radical 2A1C3v
96 SiH3- Silyl anion 1A1C3v
97 SiH3+ Silyl cation 1A1'D3h
98 CH4 Methane 1A1Td
99 CH4+ Methane cation 2B2D2d
100 SiH4 Silane 1A1Td
101 GeH4 Germane 1A1Td
102 N- Nitrogen atom anion 3SKh
103 N+ Nitrogen atom cation 3PKh
104 P Phosphorus atom 4SKh
105 P- Phosphorus atom anion 3PKh
106 P+ Phosphorus atom cation 3PKh
107 As Arsenic atomic 4SKh
108 NH Imidogen 1Σ+C∞v
109 NH- Imidogen anion 2ΠC∞v
110 NH+ imidogen cation 2ΠC∞v
111 PH phosphorus monohydride 1ΔC∞v
112 PH- phosphorus monohydride anion 2ΠC∞v
113 PH+ phosphorus monohydride cation 2ΠC∞v
114 AsH Arsenic monohydride 3ΣC∞v
115 ND2 Amidogen-d2 2B1C2v
116 NH2 Amino radical 2B1C2v
117 NH2- amino anion 1A1C2v
118 PH2 Phosphino radical 2B1C2v
119 PH2- Phosphino anion 1A1C2v
120 PH2+ Phosphino cation 1A1C2v
121 AsH2 Arsenic dihydride 2A1C2v
122 ND3 Ammonia-d3 1A1C3v
123 NH3 Ammonia 1A1C3v
124 NH3+ ammonia cation 2A2"D3h
125 PH3 Phosphine 1A1C3v
126 PH3+ Phosphine cation 2A1C3v
127 AsH3 Arsine 1A1C3v
128 AsH3+ Arsine cation 2A1C3v
129 NH4+ ammonium cation 1A1Td
130 PH4+ phosphonium cation   
131 O Oxygen atom 3SKh
132 O- Oxygen atom anion 2PKh
133 O+ Oxygen atom cation 4SKh
134 S Sulfur atom 3PKh
135 S- Sulfur atom anion 2PKh
136 S+ Sulfur atom cation 4SKh
137 Se Selenium atom 3PKh
138 Se- Selenium atom anion 2PKh
139 Se+ Selenium atom cation 4SKh
140 DO Hydroxyl-d 2ΠC∞v
141 OH Hydroxyl radical 2ΠC∞v
142 OH- hydroxide anion 1ΣC∞v
143 OH+ hydoxyl cation 1ΣC∞v
144 DS Mercapto-d 2ΠC∞v
145 HS Mercapto radical 2ΠC∞v
146 HS- mercapto anion 1ΣC∞v
147 HS+ sulfur monohydride cation 3ΣC∞v
148 HSe Selenium monohydride 2ΠC∞v
149 HSe- selenium monohydride anion 1ΣC∞v
150 HSe+ selenium monohydride cation 1ΣC∞v
151 D2O Deuterium oxide 1A1C2v
152 H2O Water 1A1C2v
153 H2O- water anion 2A1C2v
154 H2O+ water cation 2B1C2v
155 HDO Water-d1 1A1C2v
156 D2S Hydrogen sulfide-d2 1A1C2v
157 H2S Hydrogen sulfide 1A1C2v
158 H2S+ Hydrogen sulfide cation 2B1C2v
159 H2Se Hydrogen selenide 1A1C2v
160 H2Se+ Hydrogen selenide cation 2B1C2v
161 H3O+ hydronium cation 1A1C3v
162 H3S+ Sulfonium cation 1A1C3v
163 F Fluorine atom 2PKh
164 F- Fluorine atom anion 1SKh
165 F+ Fluorine atom cation 3SKh
166 Cl Chlorine atom 2PKh
167 Cl- Chlorine atom anion 1SKh
168 Cl+ Chlorine atom cation 3PKh
169 Br Bromine atom 2PKh
170 Br- Bromine atom anion 1SKh
171 Br+ Bromine atom cation 3PKh
172 DF Hydrofluoric acid-d 1ΣC∞v
173 HF Hydrogen fluoride 1ΣC∞v
174 HF- hydrogen fluoride anion 2ΣC∞v
175 HF+ hydrogen fluoride cation 2ΠC∞v
176 DCl Hydrochloric acid-d 1ΣC∞v
177 HCl Hydrogen chloride 1ΣC∞v
178 HCl- hydrogen chloride anion 2ΣC∞v
179 HCl+ hydrogen chloride cation 2ΠC∞v
180 HBr hydrogen bromide 1ΣC∞v
181 HBr- hydrogen bromide anion 2ΣC∞v
182 HBr+ hydrogen bromide cation 2ΠC∞v
183 H2F+ dihydrogen fluoride cation 1A1C2v
184 H2Cl+ dihydrogen monochloride cation 1A1C2v
185 Ne Neon atom 1SKh
186 Ne- Neon atom anion 2SKh
187 Ne+ Neon atom cation 2PKh
188 Ar Argon atom 1SKh
189 Ar- Argon atom anion 2SKh
190 Ar+ Argon atom cation 2PKh
191 NeH+ neon hydrogen cation 1ΣC∞v
192 ArH+ Argon hydride cation 1ΣC∞v
193 Li2 Lithium diatomic 1ΣgD∞v
194 Li2- lithium diatomic anion 2ΣuD∞h
195 Li2+ lithium diatomic cation 2ΣgD∞h
196 NaLi lithium sodium 1ΣC∞v
197 NaLi- lithium sodium anion 2ΣC∞v
198 NaLi+ lithium sodium cation 2ΣC∞v
199 Na2 Sodium diatomic 1ΣgD∞h
200 Na2- sodium diatomic anion 2ΣuD∞h
201 Na2+ sodium diatomic cation 2ΣgD∞h
202 Cu2 Copper diatomic 1ΣgD∞h
203 Be2 Beryllium diatomic 3ΠgD∞h
204 Be2- Beryllium diatomic anion 2ΠuD∞h
205 Be2+ Beryllium diatomic cation 2ΣuD∞h
206 Mg2 Magnesium diatomic 1ΣgD∞h
207 Mg2- magnesium diatomic anion 2ΠUD∞h
208 Mg2+ magnesium diatomic cation 2ΣuD∞h
209 B2 Boron diatomic 5ΣuD∞h
210 B2- Boron diatomic anion 4ΣgD∞h
211 Al2 Aluminum diatomic 1ΣgD∞h
212 Al2- aluminum diatomic anion 4ΣgD∞h
213 Al2+ aluminum diatomic cation 2ΣgD∞h
214 B2H4 Diborane(4) D2d 1A1D2d
215 B2H6 Diborane 1AgD2h
216 BC boron monocarbide 2ΠC∞v
217 BC- boron monocarbide anion 1Σg+C∞v
218 BC+ boron monocarbide cation 1ΣC∞v
219 C2 Carbon diatomic 3ΠuD∞h
220 C2- carbon diatomic anion 2ΣgD∞h
221 C2+ carbon diatomic cation 4ΣgD∞h
222 SiC silicon monocarbide 1ΣC∞v
223 SiC- silicon monocarbide anion 2ΣgC∞v
224 SiC+ silicon monocarbide cation 2ΠC∞v
225 Si2 Silicon diatomic 1ΣgD∞h
226 Si2- silcon diatomic anion 2ΣgD∞h
227 Si2+ silcon diatomic cation 2ΠD∞h
228 C2H Ethynyl radical 2ΣC∞v
229 C2H- Ethynyl anion 1ΣC∞v
230 C2H+ Ethynyl cation 1ΣC∞v
231 ZnCH2 Zinc methylene 1A'Cs
232 C2H2 Acetylene 1ΣgD∞h
233 C2H2+ acetylene cation 2ΠuD∞h
234 CCH2 vinylidene 3B2C2v
235 CH3Li methyl lithium 1A1C3v
236 CuCH3 monomethyl copper 1A1C3v
237 ZnCH3 Zinc monomethyl 2A1C3v
238 C2H3 vinyl 2A'Cs
239 C2H3+ vinyl cation 1A1C2V HCCH2
240 C2H4 Ethylene 1AgD2h
241 C2H4- Ethylene anion 2B2gD2h
242 C2H4+ Ethylene cation 2B3uD2h
243 CH3CH methylmethylene 3A"Cs
244 CH2SiH2 silaethylene 1A1C2v
245 C2H5 Ethyl radical 2A'Cs
246 C2H5+ Ethyl cation 1A1C2v
247 C2H6 Ethane 1A1gD3d
248 CH3SiH3 methyl silane 1A1C3
249 Si2H6 disilane 1EuD3d
250 LiN Lithium Nitride 1ΣC∞v
251 LiN+ Lithium Nitride cation 4ΣC∞v
252 BeN- Beryllium mononitride anion 1ΣC∞v
253 BN- boron nitride anion 2ΣC∞v
254 AlN- aluminum mononitride anion 2ΣC∞v
255 AlN+ aluminum mononitride cation 2ΠC∞v
256 BN boron nitride 1ΣC∞v
257 BN+ boron nitride cation 2ΠC∞v
258 AlN Aluminum nitride 1ΣC∞v
259 CN Cyano radical 2ΣC∞v
260 CN- cyanide anion 1ΣC∞v
261 CN+ Cyano cation 1ΣC∞v
262 CP- carbon monophosphide anion 1ΣC∞v
263 CP+ carbon monophosphide cation 1ΣC∞v
264 SiN Silicon nitride 2ΣC∞v
265 SiN- silicon mononitride anion 1ΣC∞v
266 SiN+ silicon mononitride cation 3ΠC∞v
267 SiP Silicon monophosphide 2ΠC∞v
268 SiP- Silicon monophosphide anion 1ΣC∞v
269 SiP+ Silicon monophosphide cation 1ΣC∞v
270 N2 Nitrogen diatomic 1ΣgD∞h
271 N2- nitrogen diatomic anion 2ΠgD∞h
272 N2+ diatomic nitrogen cation 2ΣgD∞h
273 PN Phosphorus mononitride 1ΣC∞v
274 PN- phosphorus nitride anion 2ΠC∞v
275 PN+ phosphorus nitride cation 2ΠC∞v
276 P2 Phosphorus diatomic 1ΣgD∞h
277 P2- phosphorus diatomic anion 2ΠgD∞h
278 P2+ phosphorus diatomic cation 2ΠUD∞h
279 As2 Arsenic diatomic 1ΣgD∞h
280 HNB hydrogen nitrogen boron 2ΣC∞v
281 HNC hydrogen isocyanide 1ΣC∞v
282 HCN Hydrogen cyanide 1ΣC∞v
283 HCN- Hydrogen cyanide anion 2A'Cs
284 HCN+ hydrogen cyanide cation 2ΠC∞v
285 HCP Phosphaethyne 1ΣC∞v
286 NNH Dinitrogen monohydride 2A'Cs
287 NNH+ Dinitrogen monohydride cation 1ΣC∞v
288 HPO Hydrogen phosphorus oxide 1A'Cs
289 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
290 H2CN+ hydrocyanonium cation 1A1C2v
291 HCNH+ N-protonated HCN 1ΣC∞v
292 N2H2 (E)-diazene 1AgC2h
293 CH2NH Methanimine 1A'Cs
294 CH2PH Phosphaethene 1A'Cs
295 CH2NH2+ methyleneamine cation 1A1C2v
296 N2H4 Hydrazine 1AC2
297 P2H4 Diphosphine 1AC2
298 CH3NH2 methyl amine 1A'Cs
299 CH3PH2 Methyl phosphine 1A'Cs
300 BH3NH3 borane ammonia 1A1C3v
301 CH3NH3+ protonated methylamine 1A1C3v
302 NH3NH3 Ammonia Dimer 1AgC2h
303 LiO lithium oxide 2ΣC∞v
304 LiO- lithium oxide anion 3ΣC∞v
305 LiO+ lithium oxide cation 1ΣC∞v
306 NaO sodium monoxide 2ΣC∞v
307 NaO- sodium oxide anion 1ΣC∞v
308 NaO+ sodium oxide cation 3ΣC∞v
309 CuO Copper Monoxide 2ΠC∞v
310 BeO beryllium oxide 1ΣC∞v
311 BeO- Beryllium monoxide anion 2ΣC∞v
312 BeO+ Beryllium monoxide cation 2ΠC∞v
313 BeS beryllium sulfide 1ΣC∞v
314 MgO magnesium oxide 1Σ+C∞v
315 MgO- magnesium oxide anion 2ΣC∞v
316 MgO+ magnesium oxide cation 2ΠC∞v
317 MgS magnesium sulfide 1ΣC∞v
318 MgS- magnesium sulfide anion 2ΣC∞v
319 MgS+ magnesium sulfide cation 2ΠC∞v
320 ZnO zinc monoxide 1ΣC∞v
321 ZnS Zinc sulfide 1Σ+C∞v
322 BeS- Beryllium monosulfide anion 2ΣC∞v
323 BeS+ Beryllium monosulfide cation 2ΠC∞v
324 BO boron monoxide 2ΣC∞v
325 BO- boron monoxide anion 1ΣC∞v
326 AlO Aluminum monoxide 2ΣC∞v
327 AlO- Aluminum monoxide anion 1ΣC∞v
328 AlO+ aluminum monoxide cation 1ΣC∞v
329 BS boron sulfide 2ΣC∞v
330 BS- boron monosulfide anion 1ΣC∞v
331 BS+ boron monosulfide cation 1ΣC∞v
332 AlS Aluminum sulfide 2ΣC∞v
333 AlS- aluminum monosulfide anion 1ΣC∞v
334 AlS+ aluminum monosulfide cation 1ΣC∞v
335 BO+ boron monoxide cation 1ΣC∞v
336 CO Carbon monoxide 1ΣC∞v
337 CO- carbon monoxide anion 2ΠC∞v
338 CO+ carbon monoxide cation 2ΣC∞v
339 CS carbon monosulfide 1ΣC∞v
340 CS- carbon monosulfide anion 2ΠC∞v
341 CS+ carbon monosulfide cation 2ΣC∞v
342 SiO Silicon monoxide 1ΣC∞v
343 SiO- silicon monoxide anion 2ΠC∞v
344 SiO+ silicon monoxide cation 2ΣC∞v
345 SiS silicon monosulfide 1ΣC∞v
346 SiS- silicon monosulfide anion 2ΠC∞v
347 SiS+ silicon monosulfide cation 2ΣC∞v
348 CSe Carbon monoselenide 1ΣC∞v
349 CSe- Carbon monoselenide anion 2ΠC∞v
350 CSe+ Carbon monoselenide cation 2ΣC∞v
351 GeO Germanium monoxide 1ΣC∞v
352 NO Nitric oxide 2ΠC∞v
353 NO- nitric oxide anion 1ΔC∞v
354 NO+ nitric oxide cation 1ΣC∞v
355 NS- nitrogen sulfide anion 1ΣC∞v
356 NS+ nitrogen sulfide cation 1ΣC∞v
357 PO Phosphorus monoxide 2ΠC∞v
358 PO- phosphorus monoxide anion 3ΣC∞v
359 PO+ phosphorus monoxide cation 1ΣC∞v
360 PS phosphorus sulfide 2ΣC∞v
361 PS- phosphorus monosulfide anion 1ΣC∞v
362 PS+ phosphorus monosulfide cation 1ΣC∞v
363 AsO Arsenic monoxide 2ΠC∞v
364 O2 Oxygen diatomic 3ΣgD∞h
365 O2- oxygen diatomic anion 2ΠD∞h
366 O2+ diatomic oxygen cation 2ΠgD∞h
367 SO Sulfur monoxide 1ΣC∞v
368 SO- sulfur monoxide anion 2ΠC∞v
369 SO+ sulfur monoxide cation 2ΠC∞v
370 S2 Sulfur diatomic 1ΣD∞h
371 S2- sulfur diatomic anion 2ΠD∞h
372 S2+ sulfur diatomic cation 2ΠD∞h
373 SeO Selenium monoxide 1?C∞v
374 SeO- selenium monoxide anion 2ΠC∞v
375 SeO+ selenium monoxide cation 2ΠC∞v
376 SeS Selenium monosulfide 3ΣC∞v
377 SeS- selenium monosulfide anion 2ΠC∞v
378 SeS+ selenium monosulfide cation 2ΠC∞v
379 Se2 Selenium diatomic 1Σg+D∞h
380 Se2- selenium diatomic anion 2ΠD∞h
381 Se2+ selenium diatomic cation 2ΠgD∞h
382 LiOH lithium hydroxide 1ΣC∞v
383 NaOH sodium hydroxide 1ΣC∞v
384 BeOH beryllium monohydroxide 2A'Cs
385 MgOH magnesium hydroxide 2A'Cs
386 HBO Boron hydride oxide 1ΣC∞v
387 HBS hydrogen boron sulfide 1ΣC∞v
388 HCO Formyl radical 2A'Cs
389 HCO- formyl anion 1A'Cs
390 HCO+ Formyl cation 1ΣC∞v
391 HCS Thioformyl radical 2A'Cs
392 HCS- Thioformyl anion 1A'Cs
393 HCS+ Thioformyl cation 1ΣC∞v
394 HNO Nitrosyl hydride 1A'Cs
395 HNO- Nitrosyl hydride anion 2A"Cs
396 HNO+ Nitrosyl hydride cation 2A'Cs
397 HO2 Hydroperoxy radical 2A"Cs
398 HO2- Hydroperoxy anion 1A'Cs
399 HO2+ Hydroperoxy cation 1A'Cs
400 H2CO Formaldehyde 1A1C2v
401 H2CO- formaldehyde anion 2A'Cs
402 H2CO+ formaldehyde cation 2B2C2v
403 H2CS Thioformaldehyde 1A1C2v
404 H2O2 Hydrogen peroxide 1AC2
405 H2S2 Disulfane 1AC2
406 CH2OH Hydroxymethyl radical 2AC1
407 CH2OH+ hydroxymethyl cation 1A'Cs
408 CH3O- methoxy anion 1A1C3v
409 CH3S thiomethoxy 2A'C3v
410 NH2OH hydroxylamine 1A'Cs
411 CH3OH Methyl alcohol 1A'Cs
412 CH3SH Methanethiol 1A'Cs
413 CH3SeH Methane selenol 1A'Cs
414 H2OH2O water dimer 1A'Cs
415 H2ONH3 Water Ammonia Dimer 1A'C1
416 LiF lithium fluoride 1ΣC∞v
417 LiCl lithium chloride 1ΣC∞v
418 LiCl- lithium chloride anion 2ΣC∞v
419 LiCl+ lithium chloride cation 2ΠC∞v
420 NaF sodium fluoride 1ΣC∞v
421 NaF- sodium fluoride anion 2ΣC∞v
422 NaF+ sodium fluoride cation 2ΣC∞v
423 NaCl Sodium Chloride 1ΣC∞v
424 NaCl- sodium chloride anion 2ΣC∞v
425 NaCl+ sodium chloride cation 2ΠC∞v
426 CuF Copper monofluoride 1ΣC∞v
427 LiBr Lithium Bromide 1ΣC∞v
428 LiBr- lithium bromide anion 2ΣC∞v
429 LiBr+ lithium bromide cation 2ΠC∞v
430 CuCl Copper monochloride 1ΣC∞v
431 NaBr Sodium Bromide 1ΣC∞v
432 NaBr- sodium bromide anion 2ΣC∞v
433 NaBr+ sodium bromide cation 2ΠC∞v
434 LiF- lithium fluoride anion 2ΣC∞v
435 LiF+ lithium fluoride cation 2ΠC∞v
436 BeF Beryllium monofluoride 2ΣC∞v
437 BeF- Beryllium monofluoride anion 1ΣC∞v
438 BeF+ Beryllium monofluoride cation 1ΣC∞v
439 BeCl beryllium monochloride 2ΣC∞v
440 MgF Magnesium monofluoride 2ΣC∞v
441 MgF- magnesium fluoride anion 1ΣC∞v
442 MgF+ magnesium fluoride cation 1ΣC∞v
443 MgCl magnesium monochloride 2ΣC∞v
444 MgCl- magnesium monochloride anion 1ΣC∞v
445 MgCl+ magnesium monochloride cation 1ΣC∞v
446 ZnF Zinc monofluoride 2ΣC∞v
447 ZnCl Zinc monochloride 2ΣC∞v
448 BeCl- beryllium monochloride anion 1ΣC∞v
449 BeCl+ beryllium monochloride cation 1ΣC∞v
450 BF Boron monofluoride 1ΣC∞v
451 BF- Boron monofluoride anion 2ΠC∞v
452 BF+ Boron monofluoride cation 2ΣC∞v
453 AlF Aluminum monofluoride 1Σ+C∞v
454 AlF- Aluminum monofluoride anion 2ΠC∞v
455 AlF+ Aluminum monofluoride cation 2ΣC∞v
456 BCl boron monochloride 1ΣC∞v
457 BCl- boron monochloride anion 2ΠC∞v
458 BCl+ boron monochloride cation 2ΣC∞v
459 AlCl- aluminum monochloride anion 2ΠC∞v
460 AlCl+ aluminum monochloride cation 2ΣC∞v
461 CF Fluoromethylidyne 2ΠC∞v
462 CF- carbon monofluoride anion 1ΣC∞v
463 CF+ carbon monofluoride cation 1ΣC∞v
464 CCl carbon monochloride 2ΠC∞v
465 CCl- carbon monochloride anion 3ΣC∞v
466 CCl+ carbon monochloride cation 1ΣC∞v
467 SiF silicon monofluoride 2ΠC∞v
468 SiF- silicon monofluoride anion 3ΣC∞v
469 SiF+ silicon monofluoride cation 1ΣC∞v
470 SiCl Clorosilylidyne 2ΠC∞v
471 SiCl- silicon monochloride anion 3ΣC∞v
472 SiCl+ silicon monochloride cation 1ΣC∞v
473 NF nitrogen fluoride 1ΣC∞v
474 NF- nitrogen monofluorine anion 2ΠC∞v
475 NF+ nitrogen monofluoirde cation 2ΠC∞v
476 NCl nitrogen monochloride 1ΣC∞v
477 NCl- nitrogen monochloride anion 2ΠC∞v
478 NCl+ nitrogen monochloride cation 2ΠC∞v
479 PF phosphorus monofluoride 1ΔC∞v
480 PF- phosphorus monofluoride anion 2ΠC∞v
481 PF+ phosphorus monofluoride cation 2ΠC∞v
482 PCl phosphorus chloride 1ΣC∞v
483 PCl- phosphorus monochloride anion 2ΠC∞v
484 PCl+ phosphorus monochloride cation 2ΠC∞v
485 AsF Arsenic monofluoride 1ΔC∞v
486 FO Oxygen monofluoride 2ΠC∞v
487 FO- flourine oxide anion 1ΣC∞v
488 FO+ fluorine monoxide cation 3ΣC∞v
489 ClO Monochlorine monoxide 2ΠC∞v
490 ClO- chlorine monoxide anion 1ΣC∞v
491 ClO+ chlorine monoxide cation 1ΣC∞v
492 SF Monosulfur monofluoride 2ΠC∞v
493 SF- sulfur monofluoride anion 1ΣC∞v
494 SF+ sulfur monofluoride cation 1ΣC∞v
495 SCl sulfur monochloride 2ΠC∞v
496 SCl- sulfur monochloride anion 1ΣC∞v
497 SCl+ sulfur monochloride cation 1ΣC∞v
498 BrO Bromine monoxide 2ΠC∞v
499 BrCl Bromine monochloride 1ΣC∞v
500 F2 Fluorine diatomic 1ΣgD∞h
501 F2- flourine diatomic anion 2ΣuD∞h
502 F2+ flourine diatomic cation 2ΠgD∞h
503 ClF Chlorine monofluoride 1Σ+C∞v
504 ClF+ clorine monofluoride cation 2ΠC∞v
505 Cl2 Chlorine diatomic 1ΣgD∞h
506 Cl2- chlorine diatomic anion 2ΣuD∞h
507 Cl2+ chlorine diatomic cation 2ΠgD∞h
508 BrF Bromine monofluoride 1ΣC∞v
509 BrF- bromine fluoride anion 2ΣC∞v
510 BrF+ bromine fluoride cation 2ΠC∞v
511 BrCl- bromine chloride anion 2ΣC∞v
512 BrCl+ bromine chloride cation 2ΠC∞v
513 Br2 Bromine diatomic 1ΣgD∞h
514 Br2- bromine diatomic anion 2ΣuD∞h
515 Br2+ bromine diatomic cation 2ΠgD∞h
516 HCF Fluoromethylene 3A"Cs
517 HOF Hypofluorous acid 1A'Cs
518 DOCl Hypochlorous acid-d 1A'Cs
519 HOCl hypochlorous acid 1A'Cs
520 HOBr Hypobromous acid 1A'Cs
521 CH2F fluoromethyl radical 2ACs
522 NH2F monofluoroamine 1A'Cs
523 NH2Cl chloramine 1A'Cs
524 CH3F Methyl fluoride 1A1C3v
525 CH3Cl Methyl chloride 1A1C3v
526 SiH3F monofluorosilane 1A1C3v
527 SiH3Cl chlorosilane 1A1C1
528 CH3Br methyl bromide 1A1C3v
529 C3 carbon trimer 1ΣgD∞h
530 C3+ carbon trimer cation 2ΣuD∞h
531 C3H3 Propargyl radical 2B1Cs
532 C3H3- Propargyl anion 1A'Cs
533 C3H3+ cyclopropenyl cation 1A1D3h
534 C3H3+ Propargyl cation 1A1C2v
535 CH2CCH2 allene 1A1D2d
536 CH3CCH propyne 1A'C3v
537 Zn(CH3)2 dimethyl zinc 1A1'D3h
538 C3H6 Cyclopropane 1A1'D3h
539 CH2CHCH3 Propene 1A'Cs
540 C3H7 n-Propyl radical 2A"C1
541 C3H8 Propane 1A1C2v
542 SiH2(CH3)2 dimethylsilane 1A1C2v
543 N3 azide radical 2ΠgD∞h
544 N3- azide anion 1ΣGD∞h
545 HN3 hydrogen azide 1A'Cs
546 HNCNH diiminomethane 1AC2
547 CH2N2 diazirine 1A1C2v
548 CH2NN diazomethane 1A1C2v
549 NH2CN cyanamide 1A1C2v
550 CH3CN Acetonitrile 1A1C3v
551 CH3CN- acetonitrile anion 2EC3v
552 CH3NC methyl isocyanide 1A1C3v
553 NHCHNH2 aminomethanimine 1AC1
554 C2H5N Aziridine 1A'C1
555 CH2CHNH2 aminoethene 1AC1
556 CH2NCH3 N-methylmethanimine 1A'Cs
557 CH3CHNH ethanimine 1A'CS NH up
558 CH3CH2NH2 Ethylamine 1A'Cs
559 CH3NHCH3 Dimethylamine 1A'Cs
560 Li2O dilithium oxide 1ΣgD∞h
561 Na2O disodium monoxide 1A1C2v
562 CNO- fulminate 1ΣC∞v
563 NCO isocyanato radical 2ΠC∞v
564 NCO- cyanate 1ΣC∞v
565 SCN thiocyanato radical 2ΠC∞v
566 SCN- thiocyanide anion 1ΣC∞v
567 BO2 Boron dioxide 2A'D∞h
568 BO2- Boron dioxide anion 1ΣgD∞h
569 N2O Nitrous oxide 1ΣC∞v
570 N2O+ Nitrous oxide cation 2ΠC∞v
571 CO2 Carbon dioxide 1ΣgD∞h
572 CO2- Carbon dioxide anion 2A1C2v
573 CO2+ Carbon dioxide cation 2ΠgD∞h
574 OCS Carbonyl sulfide 1ΣC∞v
575 OCS+ Carbonyl sulfide cation 2ΠC∞v
576 SiO2 silicon dioxide 1ΣgD∞h
577 CS2 Carbon disulfide 1ΣgD∞h
578 CS2+ Carbon disulfide cation 2ΠD∞h
579 TiO2 Titanium dioxide 1A1C2v
580 GeO2 Germanium dioxide 1ΣgD∞h
581 OCSe Carbonyl selenide 1ΣC∞v
582 NO2 Nitrogen dioxide 2A1C2v
583 NO2- Nitrogen dioxide anion 1A1C2v
584 NO2+ Nitrogen dioxide cation 1ΣGD∞h
585 PO2 Phosphorus dioxide 2A1C2v
586 PO2- Phosphorus dioxide anion 1A1C2v
587 PO2+ Phosphorus dioxide cation 1ΣGD∞h
588 O3 Ozone 1A1Cs
589 O3- Ozone anion 2B1C2v
590 O3+ Ozone cation 2A1C2v
591 SO2 Sulfur dioxide 1A1C2v
592 SO2- Sulfur dioxide anion 2B1C2v
593 SO2+ Sulfur dioxide cation 2A1C2v
594 SSO Disulfur monoxide 1A'Cs
595 S3 Sulfur trimer 1A1C2v
596 SeO2 Selenium dioxide 1A1C2v
597 HCCO ketenyl radical 2ΠC∞v
598 HCNO fulminic acid 1ΣC∞v
599 HNCO Isocyanic acid 1A'Cs
600 HOCN cyanic acid 1A'Cs
601 HCO2- formate anion 1A1C2v
602 HOCO Hydrocarboxyl radical 1A'trans
603 HOCO+ Hydrocarboxyl cation 1A'Cs
604 HNO2 Nitrous acid 1A'Cs
605 HNO2+ nitrous acid cation 2A'Cs
606 C2H2O Oxirene 1A1C2v
607 CH2CO Ketene 1A1C2v
608 CH2CO+ Ketene cation 2B1C2v
609 HCCOH ethynol 1A'Cs
610 CH2O2 Dioxirane 1A1C2v
611 HCOOH Formic acid 1A'Cs
612 CH3CO Acetyl radical 2A'Cs
613 CH3CO+ acetyl cation 1A1C3v
614 CHONH2 formamide 1ANon-Planar
615 CH3OO methylperoxy radical 2A"Cs
616 CH3OO- methylperoxy anion 1A'Cs
617 CH3OO+ methylperoxy cation 1A'Cs
618 C2H4O Ethylene oxide 1A1C2v
619 CH2CHOH ethenol 1A'Cs
620 CH3CHO Acetaldehyde 1A'Cs
621 C2H4S Thiirane 1A1C2v
622 CH3CHS Thioacetaldehyde 1A'C1
623 CH3OOH Methyl peroxide 1AC1
624 H2OH2CO water formaldehyde dimer 1AC1
625 CH3CH2OH Ethanol 1A'Cs
626 CH3OCH3 Dimethyl ether 1A1C2v
627 CH3CH2SH ethanethiol 1A'Cs
628 CH3SCH3 Dimethyl sulfide 1A1C2v
629 CH3OHH2O methanol water dimer 1A'C1
630 H2OCH3OH water methanol dimer 1AC1
631 ZnF2 Zinc difluoride 1ΣGD∞h
632 FCN Cyanogen fluoride 1ΣC∞v
633 ClCN chlorocyanogen 1ΣC∞v
634 BrCN Cyanogen bromide 1ΣC∞v
635 MgCl2 Magnesium dichloride 1ΣgC2v
636 ZnCl2 Zinc dichloride 1ΣGD∞h
637 FNO Nitrosyl fluoride 1A'Cs
638 ClNO Nitrosyl chloride 1A'Cs
639 CF2 Difluoromethylene 3B1C2v
640 CF2- Difluoromethylene anion 2B1C2v
641 CF2+ Difluoromethylene cation 2A1C2v
642 CCl2 dichloromethylene 1A1C2v
643 CCl2- dichloromethylene anion 2B1C2v
644 CCl2+ dichloromethylene cation 2A1C2v
645 SiCl2 Dichlorosilylene 1A1C2v
646 FOO Dioxygen monofluoride radical 2A"Cs
647 ClOO chloroperoxy radical 2A"Cs
648 ClOO+ chloroperoxy cation 1A'Cs
649 OClO Chlorine dioxide 2B1D∞h
650 OClO+ Chlorine dioxide cation 1A1C2v
651 ClS2 Sulfur chloride 2A"Cs
652 NF2 Difluoroamino radical 2B1C2v
653 NF2+ Difluoroamino cation 1A1C2v
654 F2O Difluorine monoxide 1A1C2v
655 SF2 sulfur difluoride 1A1C2v
656 SF2+ sulfur difluoride cation 2B1C2v
657 Cl2O Dichlorine monoxide 1A1C2v
658 SCl2 Sulfur dichloride 1A1C2v
659 HCCF Fluoroacetylene 1ΣC∞v
660 HFCO formyl fluoride 1A'Cs
661 COHCl Formyl chloride 1A'Cs
662 COHBr Formyl bromide 1A'Cs
663 BHF2 Difluoroborane 1A1C2v
664 BHCl2 Borane, dichloro- 1A1C2v
665 CH2F2 Methane, difluoro- 1A1C2v
666 CH2FCl fluorochloromethane 1A'Cs
667 CH2Cl2 Methylene chloride 1A1C2v
668 CH2Br2 dibromomethane 1A1C2v
669 SiH2Cl2 dichlorosilane 1A1C2v
670 CH2CHF Ethene, fluoro- 1A'Cs
671 C2H3Cl Ethene, chloro- 1A'Cs
672 C2H3Br vinyl bromide 1A'Cs
673 C2H5F fluoroethane 1A'Cs
674 CH3CH2Cl Ethyl chloride 1A'Cs
675 C2H5Br Ethyl bromide 1A'Cs
676 C4 Carbon tetramer 3ΣgD∞h
677 C4+ Carbon tetramer cation 2ΠgD∞h
678 C4H2 Diacetylene 1ΣgD∞h
679 C4H2+ diacetlyene cation 2ΠgD∞h
680 C2H3CCH 1-Buten-3-yne 1A'C1
681 H2CCCCH2 Butatriene 1AgD2h
682 C4H6 1-Methylcyclopropene 1AC1
683 C4H6 Cyclobutene 1A1C2v
684 C4H6 Methylenecyclopropane 1A1C2v
685 CH2CCHCH3 1,2-Butadiene 1A'C1
686 CH2CHCHCH2 1,3-Butadiene 1AgC2h
687 CH3CCCH3 2-Butyne 1A1'D3h
688 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
689 CH2CHCH2CH3 1-Butene 1AC1
690 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
691 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
692 C(CH3)3 Tert-butyl radical 2A"C3v
693 CH2CH(CH3)2 Isobutyl radical 2A'C1
694 CH3CHCH2CH3 2-Butyl radical 1AC1
695 CH3CH(CH3)CH3 Isobutane 1A1C3v
696 CH3CH2CH2CH3 Butane 1AGauche
697 C2N2 Cyanogen 1ΣgD∞h
698 C2N2+ Cyanogen cation 2ΠgD∞h
699 P4 Phosphorus tetramer 1A1Td
700 HCCCN Cyanoacetylene 1ΣC∞v
701 HCCCN+ Cyanoacetylene cation 2ΠC∞v
702 C3H3N acrylonitrile 1A'Cs
703 C3H3N+ acrylonitrile cation 2A"Cs
704 C3H7N Cyclopropylamine 1A'C1
705 C4H8 cyclobutane 1A1D2d
706 C2H8N2 Ethylenediamine 1AgC2h
707 CH3NHNHCH3 dimethyl hydrazine 1AC2
708 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
709 N(CH3)3 Trimethylamine 1A1C3v
710 As(CH3)3 trimethyl arsine 1A1C3v
711 B2O2 Diboron dioxide 1ΣgD∞h
712 CO3-- carbonate 1A1'D3h
713 NO3+ nitrogen trioxide cation 1A1'D3h
714 SO3 Sulfur trioxide 1A1'D3h
715 SO3- Sulfur trioxide anion 2A2"planar
716 SO3+ Sulfur trioxide cation 2A2'D3h
717 HCO3- bicarbonate anion   
718 HNO3 Nitric acid 1A'Cs
719 C2H2O2 Ethanedial 1AgC2h
720 CH3COO- acetate anion 1A'eclipsed
721 CH3NO2 Methane, nitro- 1A'Cs
722 CH3ONO Methyl nitrite 1A'C1
723 H3BO3 Boric acid 1A'C3h
724 C3H4O 2-Propyn-1-ol 1A'Cs
725 C3H4O allenol 1A'Cs
726 C3H4O Cyclopropanone 1A1C2v
727 C3H4O Methylketene 1A'Cs
728 CH2CHCHO Acrolein 1A'Cs
729 NH2CONH2 Urea 1AC2
730 NH2CSNH2 Thiourea 1AC2
731 C2H4O2 1,3-dioxetane 1AgD2h
732 CH3COOH Acetic acid 1A'Cs
733 CH3OCHO methyl formate 1A'Cs
734 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
735 H2OHCOOH Water formic acid dimer 1 1AC1
736 H2OHCOOH Water formic acid dimer 2 1AC1
737 HCOOHH2O Formic acid water dimer 1AC1
738 CH3CHNOH Acetaldoxime 1A'CS trans
739 CH3CONH2 Acetamide 1A'C1
740 C3H6O Propylene oxide 1AC1
741 CH3CH2CHO Propanal 1A'Cs
742 CH3COCH3 Acetone 1A1C2v
743 C3H6S Thietane 1A'Cs
744 C3H6S Thiirane, methyl- 1AC1
745 C2H6O2 1,2-Ethanediol 1AgC2h
746 CH3OOCH3 dimethylperoxide 1AgC2h
747 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
748 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
749 CH3SSCH3 Disulfide, dimethyl 1AC2
750 C3H7OH 1-Propanol 1A'Cs
751 CH3CHOHCH3 Isopropyl alcohol 1AC1
752 CH3OC2H5 Ethane, methoxy- 1A'Cs
753 C3H7SH 1-Propanethiol 1A'Cs
754 CH3CHSHCH3 2-Propanethiol 1A'Cs
755 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
756 H2OCH3OCH3 water dimethylether dimer 1AC1
757 Na2Cl2 Disodium dichloride 1AgC2h
758 C2F2 difluoroacetylene 1ΣgD∞h
759 C2Cl2 dichloroacetylene 1ΣgC2h
760 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
761 ClNO2 Nitryl chloride 1A1C2v
762 N2F2 (Z)-Difluorodiazene 1A1C2v
763 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
764 CF2O Carbonic difluoride 1A1C2v
765 COFCl Carbonic chloride fluoride 1A'Cs
766 CCl2O Phosgene 1A1C2v
767 COBr2 Carbonic dibromide 1A1C2v
768 BF3 Borane, trifluoro- 1A'D3h
769 BF3- Borane, trifluoro- anion 2A1C3v
770 BF3+ boron trifluoride cation 2A2'D3h
771 AlF3 Aluminum trifluoride 1A1'D3h
772 AlF2Cl Aluminum chloride difluoride 1A1C2v
773 AlFCl2 Aluminum dichloride fluoride 1A1C2v
774 BCl3 Borane, trichloro- 1A1'D3h
775 AlCl3 Aluminum trichloride 1A1'D3h
776 ClO3- chlorate anion 1A1C3v
777 CF3 Trifluoromethyl radical 2A1C3v
778 CF3- Trifluoromethyl anion 1A1C3v
779 CF3+ Trifluoromethyl cation 1A1'D3h
780 CCl3 Trichloromethyl radical 2A1C3
781 CCl3- Trichloromethyl anion 1A1C3v
782 CCl3+ Trichloromethyl cation 1A1'D3h
783 SiCl3 trichlorosilyl radical 2A1C3v
784 SiCl3+ trichlorosilyl cation 1A1'D3h
785 FSSF Difluorodisulfane 1AC2
786 S2F2 Thio-thionyl fluoride 1A'Cs
787 SOCl2 thionyl chloride 1A'Cs
788 SeOCl2 selenium oxychloride 1A'Cs
789 NF3 Nitrogen trifluoride 1A1C3v
790 NF3- Nitrogen trifluoride anion 2ACs
791 NF3+ Nitrogen trifluoride cation 2A1C3v
792 PF3 Phosphorus trifluoride 1A1C3v
793 NCl3 nitrogen trichloride 1A1C3v
794 AsF3 Arsenic trifluoride 1A1C3v
795 PCl3 Phosphorus trichloride 1A1C3v
796 ClSSCl Disulfur dichloride 1AC2
797 BrF3 Bromine trifluoride 1A1C2v
798 CHF3 Methane, trifluoro- 1A1C3v
799 CHF2Cl difluorochloromethane 1A'Cs
800 CHFCl2 fluorodichloromethane 1A'Cs
801 CHCl3 Chloroform 1A1C3v
802 SiHCl3 Trichlorosilane 1A1C3v
803 CHBrCl2 Methane, bromodichloro- 1A'Cs
804 CHClBr2 Methane, dibromochloro- 1A'Cs
805 CHBr3 bromoform 1A1C3v
806 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
807 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
808 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
809 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
810 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
811 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
812 CH3COF Acetyl fluoride 1A'NULL
813 CH3COCl Acetyl Chloride 1A'Cs
814 C2H4F2 1,2-difluoroethane 1AC2 gauche
815 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
816 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
817 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
818 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
819 C3H5Cl 1-Propene, 3-chloro- 1AC1
820 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
821 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
822 CH2ClCH2CH3 Propane, 1-chloro- 1Agauche
823 C5H5- cylopentadienyl anion 1A1'D5h
824 C5H6 1,3-Cyclopentadiene 1A1C2v
825 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
826 C5H6 3-Penten-1-yne, (E)- 1A'Cs
827 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
828 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
829 C5H6 Cyclopropylacetylene 1A'C1
830 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
831 C5H8 1,2-Pentadiene 1A'C1
832 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
833 C5H8 1,3-Pentadiene, (E)- 1A'C1
834 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
835 C5H8 1,4-Pentadiene 1AC2
836 C5H8 2,3-Pentadiene 1AC1
837 C5H8 Cyclobutane, methylene- 1A'Cs
838 C5H8 Cyclopentene 1A'Cs
839 C5H10 1-Butene, 2-methyl- 1AC1
840 C5H10 2-Butene, 2-methyl- 1A'Cs
841 C5H10 2-Pentene, (E)- 1A'Cs
842 C5H10 2-Pentene, (Z)- 1AC1
843 C5H10 Cyclopentane 1AC1
844 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
845 CH2CHCH2CH2CH3 1-pentene 1AC1
846 C5H11 2-Methylbut-2-yl radical 1AC1
847 C5H12 Butane, 2-methyl- 1AC1
848 C5H12 Pentane 1A1C2v
849 C5H12 Propane, 2,2-dimethyl- 1A1Td
850 Si(CH3)4 tetramethylsilane 1A1Td
851 N2O3 Dinitrogen trioxide 1A'Cs
852 C3H2N2 Malononitrile 1A1Cs
853 C3H4N2 1H-Imidazole 1A'Cs
854 C3H4N2 1H-Pyrazole 1A'Cs
855 C3H4N2 4H-Imidazole 1A'Cs
856 C4H5N (E)-2-Butenenitrile 1A'Cs
857 C4H5N (Z)-2-Butenenitrile 1A'Cs
858 C4H5N Cyclopropanecarbonitrile 1A'Cs
859 C4H5N Pyrrole 1A1C2v
860 C3H6N2 3-Aminopropionitrile 1A'Cs
861 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
862 C5H8 Spiropentane 1A1D2d
863 C4H9N Cyclobutylamine 1A'Cs
864 C4H9N Pyrrolidine 1A'Cs
865 C3H10N2 1,2-Diaminopropane 1AC1
866 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
867 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
868 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
869 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
870 C3O2 Carbon suboxide 1ΣGD∞h
871 C3O2+ Carbon suboxide cation 2ΠUD∞h
872 PO4--- phosphate 1A1Td
873 SO4-- sulfate 1A1Td
874 H2SO4 Sulfuric acid 1AC1
875 C3H3NO Isoxazole 1A'Cs
876 CH3NO3 Methyl nitrate 1A'Cs
877 C4H4O Furan 1A1C2
878 C4H4S Thiophene 1A1C2v
879 C3H4O2 β–Propiolactone 1A'Cs
880 C3H4O2 2-Propenoic acid 1A'Cs
881 C3H4O2 propanedial 1AC1
882 C3H4O2 propenalol 1A'Cs
883 HOCH2COOH Hydroxyacetic acid 1ACs
884 CH2CHCONH2 Acrylamide 1ACs
885 CH3OCH2CN Methoxyacetonitrile 1A'Cs
886 CH5N3S Hydrazinecarbothioamide 1AC1
887 H2NCH2COOH Glycine 1A'Cs
888 C4H6O cis-2-butenal 1ACs
889 C4H6O Cyclobutanone 1A1C2v
890 C4H6O Furan, 2,3-dihydro- 1AC1
891 C4H6O Furan, 2,5-dihydro- 1A1Cs
892 CH2CHOCHCH2 Vinyl ether 1A1C2v
893 CHOCHCHCH3 2-Butenal 1A'Cs
894 C4H6S Thiophene, 2,3-dihydro- 1AC1
895 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
896 CH2CHSCHCH2 Divinyl sulfide 1AC2v
897 C2H6N2O Urea, methyl- 1AC1
898 C3H6O2 1,3-Dioxolane 1AC2
899 CH3COOCH3 methyl acetate 1A'Cs
900 C2H6O2S Dimethyl sulfone 1A1C2v
901 CH3SSSCH3 dimethyl trisulfide 1AC2
902 C3H7NO dimethylformamide 1A'Cs
903 C3H7NO Propanamide 1A'C1
904 C2H3OC2H5 Ethene, ethoxy- 1AC1
905 C4H8O Cyclobutanol 1A'C1
906 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
907 CH3COCH2CH3 2-Butanone 1A'Cs
908 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
909 CHOCH2CH2CH3 Butanal 1A'Cs
910 C4H8S Thiophene, tetrahydro- 1AC1
911 C3H8O2 1,3-Propanediol 1A1C1
912 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
913 C3H8O2 Methane, dimethoxy- 1A1C2v
914 C3H8O2 Propylene glycol 1AC1
915 C3H8S2 1,3-Propanedithiol 1A1C1
916 C4H10O 1-Propanol, 2-methyl- 1AC1
917 C4H10O 2-Butanol, (.+/-.)- 1AC1
918 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
919 C4H10O Ethoxy ethane 1A1C2v
920 C4H10O Propane, 2-methoxy- 1A'Cs
921 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
922 C2H5SC2H5 Diethyl sulfide 1A1C2v
923 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1AC1
924 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
925 CH3CH(SH)CH2CH3 2-Butanethiol 1AC1
926 FNO3 Fluorine nitrate 1A'Cs
927 TiCl4 Titanium tetrachloride 1A1Td
928 ClO4- perchlorate anion 1A1Td
929 BF4- tetrafluoroboron anion 1A1Td
930 ClFO3 Perchloryl fluoride 1A1Cs
931 SO2Cl2 Sulfuryl chloride 1A1C2v
932 F3NO Nitrogen trifluoride oxide 1A1C3v
933 F3PO Phosphoryl fluoride 1A1C3v
934 Cl3PO Phosphoryl chloride 1A1C3v
935 CF4 Carbon tetrafluoride 1A1Td
936 CF3Cl Methane, chlorotrifluoro- 1A1C3v
937 SiF4 Silicon tetrafluoride 1A1Td
938 CF2Cl2 difluorodichloromethane 1A1C2v
939 CFCl3 Trichloromonofluoromethane 1A1C3v
940 CF3Br Bromotrifluoromethane 1A1C3v
941 CCl4 Carbon tetrachloride 1A1Td
942 SiCl4 Silane, tetrachloro- 1A1Td
943 CBr4 Carbon tetrabromide 1A1Td
944 SF4 Sulfur tetrafluoride 1A1C2v
945 C2HF3 Trifluoroethylene 1A'Cs
946 C2HF3+ Trifluoroethylene cation 2A"Cs
947 CHClCCl2 Trichloroethylene 1A'Cs
948 HSO3F Fluorosulfonic acid 1AC1
949 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
950 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
951 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
952 C3H5ClO Oxirane, (chloromethyl)- 1AC1
953 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
954 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
955 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
956 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
957 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
958 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
959 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
960 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
961 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
962 CH2ClCH2CH2CH3 Butane, 1-chloro- 1A'Cs
963 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
964 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
965 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
966 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
967 C6H4 Benzyne 1A1C2v
968 C6H5 phenyl 2A1C2v
969 C6H6 Benzene 1A1gD6h
970 C6H8 (E)-hexa-1,3,5-triene 1AgCs
971 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
972 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
973 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
974 C6H8 1,4-Cyclohexadiene 1AgC2v
975 C6H8 3-Methylenecyclopentene 1AC1
976 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
977 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
978 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
979 C6H10 1,3-Hexadiene, (E)- 1A'Cs
980 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
981 C6H10 1,4-Hexadiene, (E)- 1AC1
982 C6H10 1,4-Hexadiene, (Z)- 1AC1
983 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
984 C6H10 1-Hexyne 1A'Cs
985 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
986 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
987 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
988 C6H10 2-Hexyne 1A'C1
989 C6H10 3-Hexyne 1A1C2v
990 C6H10 cyclohexene 1AC2
991 C6H10 Cyclopentene, 1-methyl- 1AC1
992 C6H10 Cyclopentene, 3-methyl- 1AC1
993 C6H10 Cyclopentene, 4-methyl- 1AC1
994 C4H6(CH3)2 1,1-dimethylcyclobutane 1A'Cs
995 C6H12 (E)-3-methylpent-2-ene 1AC1
996 C6H12 (Z)-3-methylpent-2-ene 1AC1
997 C6H12 3-methylenepentane 1AC1
998 C6H12 Cyclohexane 1Atwist boat
999 C6H12 Cyclopentane, methyl- 1AC1
1000 C6H12 Ethylcyclobutane 1AC1
1001 C6H12 hex-1-ene 1A'Cs
1002 C6H14 Butane, 2,2-dimethyl- 1A'C1
1003 C6H14 Butane, 2,3-dimethyl- 1AgC2h
1004 C6H14 Hexane 1AgC2h
1005 C6H14 Pentane, 2-methyl- 1AC1
1006 C6H14 Pentane, 3-methyl- 1A'Cs
1007 C4N2 2-Butynedinitrile 1ΣgD∞h
1008 C2H2N4 sym-tetrazine 1AgD2h
1009 C3H3N3 1,3,5-Triazine 1A1'D3h
1010 CH3N5 5-Aminotetrazole 1AC1
1011 C4H4N2 1,3-Diazine 1A1C2v
1012 C4H4N2 Pyrazine 1AgD2h
1013 C4H4N2 Pyridazine 1A1C2v
1014 C4H4N2 Succinonitrile 1AgC2h
1015 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
1016 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
1017 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
1018 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
1019 C5H5N Pyridine 1A1C2v
1020 B3N3H6 borazine 1A1'D3h
1021 C6H6 Fulvene 1A1C2v
1022 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
1023 C5H7N (E)-2-Pentenenitrile 1A'Cs
1024 C5H7N (E)-3-Pentenenitrile 1AC1
1025 C5H7N (Z)-2-Pentenenitrile 1AC1
1026 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
1027 C5H7N Cyclobutanecarbonitrile 1A'Cs
1028 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
1029 C5H9N Butanenitrile, 2-methyl- 1AC1
1030 C5H9N Pentanenitrile 1A'Cs
1031 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
1032 C5H11N Cyclopentanamine 1A'Cs
1033 C5H11N Piperidine 1A'NH axial
1034 C4H12N2 1,2-Butanediamine 1AC1
1035 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
1036 C2O4-- oxalate anion 1A1D2d
1037 N2O4 Dinitrogen tetroxide 1AgD2d
1038 C2H3NO3 Oxamic acid 1A'H in
1039 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
1040 C2H4N2O2 Oxalamide 1AgC2h
1041 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
1042 C3H4S3 1,3-Dithiolane-2-thione 1AC1
1043 C4H5NO 3-Methylisoxazole 1AC1
1044 C4H5NO Isoxazole, 5-methyl- 1AC1
1045 C4H5NS 4-Methylthiazole 1AC1
1046 C5H6S Thiophene, 2-methyl- 1A'Cs
1047 C5H6S Thiophene, 3-methyl- 1A'Cs
1048 C4H6O2 2,3-Butanedione 1AgC2h
1049 C4H6O2 2-Propenoic acid, methyl ester 1AC1
1050 C4H6OS 2,3-dihydrothiophene-2-ol 1AC1
1051 C4H6OS 2,5-dihydrothiophene-3-ol 1AC1
1052 C4H6OS 4,5-dihydrothiophene-2-ol 1AC1
1053 C4H6OS 4,5-dihydrothiophene-3-ol 1AC1
1054 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
1055 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
1056 C4H6OS Vinyl sulfoxide 1A'Cs
1057 CH6N4S Carbonothioic dihydrazide 1AC2
1058 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
1059 C2H6N2O2 Dimethylnitroamine 1AC1
1060 C3H6O3 1,3,5-Trioxane 1A1C1
1061 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
1062 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
1063 C4H7NO 2-Pyrrolidinone 1AC1
1064 C4H7NO Methacrylamide 1AC1
1065 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
1066 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
1067 CH3CH(NH2)COOH Alanine 1AC1
1068 CH3NHCH2COOH Sarcosine 1AC1
1069 NH2CH2CH2COOH β–alanine 1AC1
1070 NH2COOC2H5 Urethane 1AC1
1071 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
1072 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
1073 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
1074 NH2CONHC2H5 Urea, ethyl- 1AC1
1075 C4H8O2 1,3-Dioxane 1A'Cs
1076 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
1077 C4H8O2 1,4-Dioxane 1AgC2h
1078 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
1079 C4H8OS s-Ethyl thioacetate 1AC1
1080 C3H8O3 1,2,3-Propanetriol 1AC1
1081 C3H8O2S (Methylsulfonyl)ethane 1AC1
1082 C4H9NO Butanamide 1AC1
1083 C4H9NO Propanamide, 2-methyl- 1AC1
1084 C5H10O 2-Butanone, 3-methyl- 1AC1
1085 C5H10O 2H-Pyran, tetrahydro- 1A'C1
1086 C5H10O 2-Pentanone 1A'Cs
1087 C5H10O 3-Pentanone 1A1C2v
1088 C5H10O Cyclopentanol 1AC1
1089 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
1090 C5H10O Pentanal 1A'C1
1091 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
1092 C5H10S 3-Ethylthio-1-propene 1A'C1
1093 C5H10S Cyclopentanethiol 1AC1
1094 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
1095 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
1096 C4H10O2 1,1-Dimethoxyethane 1A'Cs
1097 C4H10O2 1,3-Butanediol 1AC1
1098 C4H10O2 1,4-Butanediol 1AgC2h
1099 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
1100 C4H10OS Diethyl sulfoxide 1AC1
1101 C4H10S2 1,4-Butanedithiol 1AgC2h
1102 C4H11NO Diethylhydroxylamine 1A'Cs
1103 C5H12O 1-Butanol, 2-methyl- 1AC1
1104 C5H12O 1-Butanol, 3-methyl- 1A'Cs
1105 C5H12O 1-Pentanol 1A'Cs
1106 C5H12O 2-Butanol, 3-methyl- 1AC1
1107 C5H12O 2-Pentanol 1AC1
1108 C5H12O 3-Pentanol 1AC1
1109 C5H12O Butane, 1-methoxy- 1A'Cs
1110 C5H12O Propane, 1-ethoxy- 1A'Cs
1111 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
1112 C5H12S 1-Butanethiol, 2-methyl- 1AC1
1113 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
1114 C5H12S 1-Pentanethiol 1A'C1
1115 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
1116 C5H12S 2-Butanethiol, 3-methyl- 1AC1
1117 C5H12S Butane, 1-(methylthio)- 1A'Cs
1118 C5H12S Ethyl propyl sulfide 1A'Cs
1119 C5H12S Propane, 2-(ethylthio)- 1A'C1
1120 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
1121 CF3CN Acetonitrile, trifluoro- 1A1C3v
1122 B2F4 Diboron tetrafluoride 1AGD2h
1123 B2Cl4 Diboron tetrachloride 1A1D2
1124 C2F4 Tetrafluoroethylene 1AgD2h
1125 C2Cl4 Tetrachloroethylene 1AgD2h
1126 CF3OF Trifluoromethylhypofluorite 1A'Cs
1127 PF5 Phosphorus pentafluoride 1A1'D3h
1128 AsF5 Arsenic pentafluoride 1A1'D3h
1129 PCl5 Phosphorus pentachloride 1A1'C4v
1130 BrF5 bromine pentafluoride 1A1C4v
1131 ClF5 chlorinepentafluoride 1A1C4v
1132 CF3CH2F 1,1,1,2-tetrafluoroethane 1A'Cs
1133 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
1134 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
1135 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
1136 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
1137 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
1138 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
1139 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
1140 C5H11Cl Pentane, 1-chloro- 1A'Cs
1141 C6H5CH2 benzyl radical 2B1Cs
1142 C6H5CH3 toluene 1A'Cs
1143 C7H8 Norbornadiene 1A1C2v
1144 C7H12 Norbornane 1A1C2v
1145 C7H16 heptane 1A1C2v
1146 C6H5NH2 aniline 1A'Cs
1147 C6H13N 2-Methylpiperidine 1AC1
1148 N2O5 Dinitrogen pentoxide  C2
1149 C5H4O2 4-Cyclopentene-1,3-dione 1A1C2v
1150 C5H4O2 furfural 1A'OCCO trans
1151 C5H5NO 2(1H)-Pyridinone 1A'Cs
1152 C5H5NO 2(3H)-Pyridinone 1ACs
1153 C5H5NO 2(5H)-Pyridinone 1A'Cs
1154 C5H5NO 2-Pyridinol 1A'Cs
1155 C5H5NO 3(2H)-Pyridinone 1A'Cs
1156 C5H5NO 3(4H)-Pyridinone 1A'C1
1157 C5H5NO 3(6H)-Pyridinone 1A'Cs
1158 C5H5NO 3-Pyridinol 1A'Cs
1159 C5H5NO 4(1H)-Pryidinone 1A'Cs
1160 C5H5NO 4(3H)-Pryidinone 1A'Cs
1161 C5H5NO 4-Pyridinol 1A'Cs
1162 C6H5OH phenol 1A'Cs
1163 C6H10O cyclohexanone 1A'Cs
1164 SF6 Sulfur Hexafluoride 1A1GOh
1165 C6H5F Fluorobenzene 1A1C2v
1166 C6H5Cl chlorobenzene 1A1C2v
1167 C6H5Br bromobenzene 1A1C2v
1168 C6H5CCH phenylacetylene 1A1C2v
1169 C6H5CHCH2 Styrene 1A'Cs
1170 C8H8 cubane 1A1GOh
1171 C8H8 cyclooctatetraene 1A1D2d
1172 C6H5CH2CH3 Ethylbenzene 1A'Cs
1173 C8H14 Bicyclo[2.2.2]octane 1A1D3
1174 C8H18 Octane 1AGC2h
1175 C6H5CN phenyl cyanide 1A1C2v
1176 C6H12N2 Triethylenediamine 1A1'D3h
1177 S8 Octasulfur 1A1D4d
1178 C6H4O2 parabenzoquinone 1AgD2h
1179 C6H5CHO benzaldehyde 1A'Cs
1180 C6H5OCH3 Anisole 1A'Cs
1181 C6H12O2 Methyl pivalate 1AC1
1182 C6H12O2 Hexanoic acid 1A1Cs
1183 C6H4F2 orthodifluorobenzene 1A1C2v
1184 C6H4F2 1,4-difluorobenzene 1AgD2h
1185 C6H5NO2 Nitrobenzene 1A1C2v
1186 C6H5COOH benzoic acid 1A'Cs
1187 C10H8 naphthalene 1AgD2h
1188 C10H16 adamantane 1A1Td
1189 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 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 HeH Helium hydride heh  
5 K Potassium atom k  
6 K- Potassium atom anion k-  
7 K+ Potassium atom cation k+  
8 KH Potassium hydride kh  
9 KH+ Potassium hydrogen cation kh+  
10 Ca Calcium atom ca  
11 Ca- Calcium atom anion ca-  
12 Ca+ Calcium atom cation ca+  
13 Zn- Zinc atom anion zn-  
14 Zn+ Zinc atom cation zn+  
15 CaH Calcium monohydride cah  
16 CaH+ Calcium monohydride cation cah+  
17 TiH Titanium monohydride tih  
18 ZnH+ Zinc, protonated znh+  
19 BeH2+ Beryllium dihydride cation beh2+  
20 CaH2 Calcium Hydride cah2  
21 Sc Scandium atom sc  
22 Sc+ Scandium cation sc+  
23 Ga Gallium atom ga  
24 Ga- Gallium atom anion ga-  
25 Ga+ Gallium atom cation ga+  
26 ScH Scandium monohydride sch  
27 ScH+ Scandium monohydride cation sch+  
28 GaH Gallium monohydride gah  
29 GaH+ Gallium monohydride cation gah+  
30 BH2- boron dihydride anion bh2-  
31 BH2+ Boron dihydride cation bh2+  
32 ScH3 Scandium trihydride sch3  
33 GaH3 Gallium trihydride gah3  
34 BH4 borohydride bh4  
35 Ti- Titanium atom anion ti-  
36 Ti+ Titanium atom cation ti+  
37 Ge- Germanium anion ge-  
38 Ge+ Germanium cation ge+  
39 Sn Tin atom sn  
40 Sn+ Tin cation sn+  
41 CH Methylidyne ch  
42 GeH germylidene geh  
43 GeH+ Germaniun monohyrdide cation geh+  
44 CH2 Methylene ch2  
45 SiH2 silicon dihydride sih2  
46 GeH2 germylene geh2  
47 GeH2- germylene anion geh2-  
48 GeH3 Germyl radical geh3  
49 GeH3+ germyl cation geh3+  
50 CD4 methane-d4 cd4  
51 CH2D2 methane-d2 ch2d2  
52 CH3D methane-d ch3d  
53 CH4- Methane anion ch4-  
54 CHD3 methane-d3 chd3  
55 SiH2D2 silane-d2 sih2d2  
56 SiH4+ Silane cation sih4+  
57 SnH4 Stannane snh4  
58 SiH5+ Silane, protonated sih5+  
59 N Nitrogen atom n  
60 V Vanadium atom v  
61 V+ Vanadium atom cation v+  
62 As- Arsenic anion as-  
63 As+ Arsenic cation as+  
64 Sb Antimony atom sb  
65 NH Imidogen nh  
66 PH phosphorus monohydride ph  
67 AsH+ Arsenic monohydride cation ash+  
68 SbH Antimony monohydride sbh  
69 NH2+ Amino cation nh2+  
70 AsH2+ Arsenic dihydride cation ash2+  
71 NH3- Ammonia anion nh3-  
72 SbH3 Stibine sbh3  
73 AsH4+ Arsonium ash4+  
74 NH4 Ammonium radical nh4  
75 PH4 Phosphoranyl radical ph4  
76 Cr Chromium atom cr  
77 Te Tellurium atom te  
78 Te+ Tellurium atom cation te+  
79 OH+ hydoxyl cation oh+  
80 CrH Chromium hydride crh  
81 CrH+ Chromium hydride cation crh+  
82 HSe+ selenium monohydride cation hse+  
83 TeH Telluryl radical teh  
84 H2S- Hydrogen sulfide anion h2s-  
85 H2Te Hydrogen Telluride h2te  
86 H3Se+ Hydrogen Selenide, protonated h3se+  
87 Mn Manganese atom mn  
88 I Iodine atom iodine  
89 I- Iodine atom anion iodine-  
90 I+ Iodine atom cation iodine+  
91 HI Hydrogen iodide hi  
92 HI+ Hydrogen iodide cation hi+  
93 H2Br+ protonated hydrogen bromide h2br+  
94 H2I+ Iodonium h2i+  
95 Fe Iron atom fe  
96 Kr Krypton atom kr  
97 Kr+ Krypton cation kr+  
98 Xe Xenon atom xe  
99 HeLi+ Helium Lithium cation heli+  
100 NeH neon hydrogen neh  
101 KrH+ Protonated Krypton krh+  
102 XeH+ Xenon, protonated xeh+  
103 H2Ar H2 Ar dimer h2ar  
104 Co Cobalt atom cobalt  
105 Ni Nickel atom ni  
106 LiK Lithium Potassium lik  
107 NaK Sodium Potassium nak  
108 NaK+ Sodium Potassium diatomic cation nak+  
109 K2 Potassium diatomic k2  
110 LiBe Lithium Beryllium libe  
111 LiMg Lithium magnesium limg  
112 NaBe Sodium Beryllium nabe  
113 NaMg Sodium Magnesium namg  
114 Be2 Beryllium diatomic be2  
115 BeMg Beryllium Magnesium bemg  
116 Ca2 Calcium diatomic ca2  
117 LiB Lithium boride lib  
118 LiAl Lithium Aluminum lial  
119 NaAl Sodium aluminum naal  
120 BeB Beryllium monoboride beb  
121 B2 Boron diatomic b2  
122 B2+ Boron diatomic cation b2+  
123 BAl Boron Aluminum bal  
124 Al2 Aluminum diatomic al2  
125 BGa Boron Gallium bga  
126 AlGa Aluminum Gallium alga  
127 Ga2 Gallium diatomic ga2  
128 HBBH Diborane(2) hbbh  
129 LiBH4 Lithium borohydride libh4  
130 HBHHBH Diborane(4) C2V hbhhbh  
131 B2H6+ Diborane cation b2h6  
132 Al2H6 dialane al2h6  
133 Ga2H6 digallane ga2h6  
134 LiC Lithium Carbide lic  
135 BeC Beryllium Carbide bec  
136 CaC Calcium monocarbide cac  
137 BC boron monocarbide bc  
138 BC- boron monocarbide anion bc-  
139 BC+ boron monocarbide cation bc+  
140 AlC Aluminum carbide alc  
141 BSi Boron silicide bsi  
142 C2 Carbon diatomic c2  
143 SiC silicon monocarbide sic  
144 Si2 Silicon diatomic si2  
145 GeC Germanium monocarbide gec  
146 SiGe Silicon Germanium sige  
147 Ge2 Germanium diatomic ge2  
148 C2H+ Ethynyl cation c2h+  
149 ZnCH2 Zinc methylene znch2  
150 CCH2 vinylidene vinylidene  
151 H2CC- vinylidene anion h2cc-  
152 HCCH- acetylene anion c2h2-  
153 Si2H2 disilyne si2h2  
154 CH2BH methyleneborane ch2bh  
155 C2H3- vinyl anion c2h3-  
156 Si2H4 Disilene si2h4  
157 CH3BH2 methylborane ch3bh2  
158 C2H5- Ethyl anion c2h5-  
159 C2H6+ ethane cation c2h6+  
160 GeH3CH3 methyl germane geh3ch3  
161 C2H7+ Ethane, protonated c2h7+  
162 LiN Lithium Nitride lin  
163 LiP Lithium monophosphide lip  
164 BeN Beryllium mononitride ben  
165 BeN+ Beryllium mononitride cation ben+  
166 MgN Magnesium Nitride mgn  
167 BP Boron monophosphide bp  
168 AlP Aluminum monophosphide alp  
169 GaN Gallium mononitride gan  
170 GaP Gallium monophosphide gap  
171 GaAs Gallium arsenide gaas  
172 BN boron nitride bn  
173 AlN Aluminum nitride aln  
174 CP Carbon monophosphide cp  
175 CP+ carbon monophosphide cation cp+  
176 SiP+ Silicon monophosphide cation sip+  
177 TiN Titanium mononitride tin  
178 AsN Arsenic mononitride asn  
179 AsP Arsenic monophosphide asp  
180 SbN Antimony nitride sbn  
181 HNC+ hydrogen isocyanide cation hnc+  
182 HCP+ Phosphaethyne cation hcp+  
183 HPO+ Hydrogen phosphorus oxide cation hpo+  
184 LiNH2 lithium amide linh2  
185 HBNH Boranimine hbnh  
186 CNH2 Aminomethylidyne radical cnh2  
187 H2CN Dihydrogen cyanide radical h2cn  
188 HCNH methyleneazane hcnh  
189 H2NN Isodiazene h2nn  
190 N2H2 (Z)-Diazene n2h2z  
191 N2H2+ trans-diazene cation n2h2+  
192 CH2NH+ Methanimine cation ch2nh+  
193 CHNH2 aminomethylene chnh2  
194 CHNH2+ Aminocarbene cation chnh2+  
195 BH2NH2 Boranamine bh2nh2  
196 N2H4+ hydrazine cation n2h4+  
197 CH3NH2+ methyl amine cation ch3nh2+  
198 SiH3NH2 Silane, amino sih3nh2  
199 N2H5+ protonated hydrazine n2h5+  
200 BH3PH3 borane phosphine bh3ph3  
201 CH3NH3 methyl ammonium radical ch3nh3  
202 CH3PH3+ methyl phosphine, protonated ch3ph3+  
203 N2H7+ ammonia ammonium dimer n2h7+  
204 LiO- lithium oxide anion lio-  
205 LiO+ lithium oxide cation lio+  
206 LiS Lithium monosulfide lis  
207 LiS+ Lithium sulfide cation lis+  
208 KO Potassium monoxide ko  
209 KO+ Potassium monoxide cation ko+  
210 NaS Sodium sulfide nas  
211 LiSe Lithium monoselenide lise  
212 CaO Calcium monoxide cao  
213 CaS Calcium sulfide cas  
214 ScO Scandium monoxide sco  
215 GaO Gallium monoxide gao  
216 GaS Gallium monosulfide gas  
217 TiO Titanium monoxide tio  
218 GeO+ Germanium monoxide cation geo+  
219 GeS Germanium monosulfide ges  
220 SiSe Silicon Monoselenide sise  
221 SiSe+ Silicon Monoselenide cation sise+  
222 GeSe Germanium monoselenide gese  
223 NO- nitric oxide anion no-  
224 NS Mononitrogen monosulfide ns  
225 NS- nitrogen sulfide anion ns-  
226 PS- phosphorus monosulfide anion ps-  
227 VO Vanadium monoxide vo  
228 NSe Nitrogen monoselenide nse  
229 AsS Arsenic monosulfide ass  
230 PSe Phosphorus monoselenide pse  
231 AsSe Arsenic monoselenide asse  
232 O2-- dioxygen dianion o2--  
233 SO Sulfur monoxide so  
234 S2 Sulfur diatomic s2  
235 SeO Selenium monoxide seo  
236 TeO Tellurium monoxide teo  
237 Se2 Selenium diatomic se2  
238 Te2 Tellurium diatomic te2  
239 KOH Potassium hydroxide koh  
240 CaOH Calcium monohydroxide caoh  
241 COH Hydroxymethylidyne coh  
242 COH+ Carbon Monoxide, protonated coh+  
243 NOH Hydroxyimidogen noh  
244 NOH+ O-protonated nitric oxide noh+  
245 HNS Sulfur imide hns  
246 HNS- Sulfur imide anion hns-  
247 HO2+ Hydroperoxy cation ho2+  
248 HSO+ Sulfur Monoxide, S-protonated HSO+  
249 SOH Sulfur Hydroxide soh  
250 SOH+ Sulfur Monoxide, protonated soh+  
251 HS2 Thiosulfeno radical hs2  
252 HOCH hydroxycarbene hoch  
253 H2CS- thioformaldehyde anion h2cs-  
254 H2CS+ thioformaldehyde cation h2cs+  
255 H2CSe Selenoformaldehyde h2cse  
256 H2NO nitroxide h2no  
257 H2O2+ Hydrogen peroxide cation h2o2+  
258 H2OO water oxide h2oo  
259 HOSH hydrogen thioperoxide hosh  
260 H2S2+ hydrogen disulfide cation h2s2+  
261 H2Se2 hydrogen diselenide h2se2  
262 CH3O Methoxy radical ch3o  
263 CH3O+ Methoxy cation ch3o+  
264 H2CSH+ Thioformaldehyde, protonated h2csh+  
265 NH2OH+ Hydroxylamine cation nh2oh+  
266 NH3O Ammonia Oxide nh3o  
267 H2POH Phosphinous acid h2poh  
268 H3PO Phosphine oxide h3po  
269 NH2SH Thiohydroxylamine nh2sh  
270 NH3S sulfidoazane nh3s  
271 H3O2+ hydrogen peroxide, protonated h3o2+  
272 CH3OH- Methyl alcohol anion ch3oh-  
273 CH3OH+ Methyl alcohol cation ch3oh+  
274 CH3SH+ Methanethiol cation ch3sh+  
275 SiH3OH silanol sih3oh  
276 NH2OH2+ protonated hydroxylamine nh2oh2+  
277 NH3OH+ N-protonated hydroxylamine nh3oh+  
278 CH3OH2+ Methanol, protonated ch3oh2+  
279 CH3SH2+ protonated methylsulfide ch3sh2+  
280 H5O2+ Dihydroxonium ion h5o2+  
281 KF Potassium Fluoride kf  
282 KCl Potassium Chloride kcl  
283 KBr Potassium Bromide kbr  
284 LiI Lithium Iodide lii  
285 NaI Sodium Iodide nai  
286 KI Potassium Iodide ki  
287 CaF Calcium monofluoride caf  
288 CaCl calcium monochloride cacl  
289 TiCl Titanium Monochloride ticl  
290 ZnF- Zinc monofluoride anion znf-  
291 ZnF+ Zinc monofluoride cation znf+  
292 CaBr Calcium monobromide cabr  
293 AlCl Aluminum monochloride alcl  
294 ScF Scandium monofluoride scf  
295 BBr Boron monobromide bbr  
296 GaF Gallium monofluoride gaf  
297 GaF+ Gallium monofluoride cation gaf+  
298 AlBr Aluminum monobromide albr  
299 GaCl Gallium monochloride gacl  
300 GaCl+ Gallium monochloride cation gacl+  
301 AlI Aluminum monoiodide ali  
302 GaBr Gallium monobromide gabr  
303 CF- carbon monofluoride anion cf-  
304 CBr Carbon monobromide cbr  
305 GeF Germanium monofluoride gef  
306 GeF+ Germanium monofluoride cation gef+  
307 GeCl Germanium monochloride gecl  
308 GeCl+ Germanium monochloride cation gecl+  
309 SiBr Silicon monobromide sibr  
310 SiBr+ Silicon monobromide cation sibr+  
311 NF nitrogen fluoride nf  
312 NCl nitrogen monochloride ncl  
313 PF phosphorus monofluoride pf  
314 PCl phosphorus chloride pcl  
315 AsF Arsenic monofluoride asf  
316 NBr nitrogen monobromide nbr  
317 AsCl Arsenic monochloride ascl  
318 PBr Phosphorus monobromide pbr  
319 SbF Antimony monofluoride sbf  
320 SbCl Antimony monochloride sbcl  
321 ClO+ chlorine monoxide cation clo+  
322 SF+ sulfur monofluoride cation sf+  
323 SCl+ sulfur monochloride cation scl+  
324 BrO- Bromine monoxide anion bro-  
325 BrO+ Bromine monoxide cation bro+  
326 SeF Selenium monofluoride sef  
327 SBr Sulfur monobromide radical sbr  
328 SBr+ Sulfur monobromide cation sbr+  
329 SeCl Selenium monochloride secl  
330 IO Iodine monoxide io  
331 SeBr Selenium monobromide sebr  
332 ClF- clorine monofluoride anion clf-  
333 IF Iodine monofluoride if  
334 ICl Iodine monochloride icl  
335 IBr Iodine monobromide ibr  
336 I2 Iodine diatomic i2  
337 I2+ Iodine diatomic cation i2+  
338 HCF Fluoromethylene hcf  
339 HCCl Chloromethylene hccl  
340 HSiF fluorosilylene hsif  
341 HSiCl Chlorosilylene hsicl  
342 HSiBr monobromosilylene hsibr  
343 CHBr bromomethylene chbr  
344 HOCl+ hypochlorous acid cation hocl+  
345 HOBr+ Hypobromous acid cation hobr+  
346 HOI Hypoiodous acid hoi  
347 F2H+ Fluorine, protonated f2h+  
348 FHF Hydrogen difluoride fhf  
349 FHF- Hydrogen difluoride anion fhf-  
350 ClFH+ Chlorine fluoride, F-protonated clfh+  
351 FClH+ Chlorine fluoride, Cl-protonated fclh+  
352 Cl2H+ Chlorine, protonated cl2h+  
353 CH2Br bromomethyl radical ch2br  
354 CH2F+ fluoromethyl cation ch2f+  
355 CH2Cl+ chloromethyl cation ch2cl+  
356 CH2Cl chloromethyl radical ch2cl  
357 H2F2 Hydrogen fluoride dimer h2f2  
358 CH3F+ methyl fluoride cation ch3f+  
359 CD3F methylfluoride-d3 cd3f  
360 CD3Cl methyl chloride d3 cd3cl  
361 CH3Cl+ Methyl chloride cation ch3cl+  
362 GeH3F monofluorogermane geh3f  
363 GeH3Cl monochlorogermane geh3cl  
364 SiH3Br bromosilane sih3br  
365 CH3I methyl iodide ch3i  
366 SiH3I Silyl Iodide sih3i  
367 NH3Cl+ protonated monochloroammonia nh3cl+  
368 CH3ClH+ methyl chloride, protonated ch3clh+  
369 NH4Cl Ammonium chloride nh4cl  
370 LiNe+ Lithium Neon cation line+  
371 Ne2 Neon diatomic ne2  
372 Ne2+ Neon diatomic cation ne2+  
373 Ar2 Argon diatomic ar2  
374 Ar2+ Argon diatomic cation ar2+  
375 Li3 Lithium trimer li3  
376 Li3+ Lithium trimer cation li3+  
377 SiC2 Silicon dicarbide sic2  
378 C3H3 cyclopropenyl radical cpr  
379 C3H4 cyclopropene cprop  
380 C3H5 Allyl radical allyl  
381 C3H5+ Allyl cation allyl+  
382 CH3CHCH 1-propenyl radical ch3chch  
383 C3H7+ cyclopropane, protonated c3h7+  
384 CH3CHCH3 Isopropyl radical isopropyl  
385 CH3CHCH3+ Isopropyl cation prop2yl+  
386 Si3H8 trisilane si3h8  
387 LiCN lithium cyanide licn  
388 NaCN Sodium Cyanide nacn  
389 KCN Potassium cyanide kcn  
390 CuCN Copper cyanide cucn  
391 ZnCN Zinc monocyanide zncn  
392 ZnNC Zinc isocyanide znnc  
393 AlCN Aluminum monocyanide alcn  
394 AlNC Aluminum isocyanide alnc  
395 CN2 3H-Diazirin-3-ylidene cn2  
396 CNN Diazocarbene cnn  
397 NCN Cyanoimidogen ncn  
398 N3+ azide cation n3+  
399 HCCN cyanomethylene hccn  
400 HCNN diazomethyl radical hcnn  
401 HN3+ Hydrazoic acid cation hn3+  
402 HNNNH+ 1,2-Triazadienium n2h3+  
403 NH2NN+ hydrazoic acid, protonated nh2nn+  
404 CH3CN+ Acetonitrile cation ch3cn+  
405 CHNCH2 2H-Azirine c157164  
406 CHNHCH 1H-Azirine chnhch  
407 H2CCNH Ethenimine ch2cnh  
408 H2CNCH methyleneaminomethylene ch2nch  
409 HCCNH2 Ethynamine hccnh2  
410 HCNCH2+ 2H-Azirine cation hcnch2+  
411 HNCNH2+ diiminomethane, protonated hncnh2+  
412 NCNH3+ Cyanamide, protonated ncnh3+  
413 NH2CNH+ cyanamide, cn protonated nh2cnh+  
414 NH3CN+ cyanamide, amine protonated nh3cn+  
415 CH2CHNH vinylazine ch2chnh  
416 CH3CHN methylmethaniminyl radical ch3chn  
417 NH2BHNH2 diaminoborane nh2bhnh2  
418 C2H5NH+ Protonated Aziridine c2h5nh+  
419 C2H6N+ aziridine, protonated c2h6n+  
420 NH2CH2NH2 diaminomethane nh2ch2nh2  
421 CH3PHCH3 dimethylphosphine ch3phch3  
422 NH2CH2NH3+ diaminoethane, protonated pdam  
423 (CH3)2NH2+ dimethylammonium cation dmam  
424 CH3CH2NH3+ ethylamine, protonated pea  
425 Li2O+ dilithium oxide cation li2o+  
426 Li2S dilithium sulfide li2s  
427 Na2S Sodium sulfide na2s  
428 LiO2 Lithium dioxide lio2  
429 NaO2 Sodium superoxide nao2  
430 CCO Dicarbon monoxide cco  
431 BO2+ Boron dioxide cation bo2+  
432 N2O- Nitrous oxide anion n2o-  
433 NNS Nitrogen sulfide nns  
434 PPO Phosphorus oxide phosphide ppo  
435 CS2- Carbon disulfide anion cs2-  
436 SiS2 Silicon disulfide sis2  
437 SCSe Carbon sulfide selenide scse  
438 GeS2 Germanium disulfide ges2  
439 CSe2 Carbon diselenide cse2  
440 SCTe Carbon sulfide Telluride scte  
441 NSO sulfinyl amidogen NSO  
442 SNO Nitrogen oxide sulfide sno  
443 AsO2 Aresenic dioxide aso2  
444 S3- Sulfur trimer anion s3-  
445 S3+ Sulfur trimer cation s3+  
446 SeO2+ Selenium dioxide cation seo2+  
447 TeO2 Tellurium Dioxide teo2  
448 CS2H+ Carbon disulfide, protonated cs2h+  
449 HNCS Isothiocyanic acid hncs  
450 HSCN thiocyanic acid hscn  
451 HNNO nitrosoazane hnno  
452 HNNO+ Nitrous oxide, N-protonated hnno+  
453 NNOH+ Nitrous Oxide, O-protonated nnoh+  
454 HCOO formate neutral radical hcoo  
455 O3H+ protonated ozone o3h+  
456 SO2H+ protonated sulfur dioxide so2h+  
457 CH2CS Thioketene ch2cs  
458 Be(OH)2 Beryllium hydroxide beo2h2  
459 Mg(OH)2 Magnesium dihydroxide h2mgo2  
460 NH2NO Nitrosamide nh2no  
461 H2COO Dioxymethyl radical h2coo  
462 H2COO+ dioxymethyl cation h2coo+  
463 H2O3 Hydrogen trioxide h2o3  
464 HSSSH trisulfane hsssh  
465 NaOCH3 Sodium methoxide naoch3  
466 CH2BOH hydroxy(methylene)borane ch2boh  
467 BH3CO Borane carbonyl bh3co  
468 CH3BO Borane, methyloxo- ch3bo  
469 CH2CHO Vinyloxy radical ch2cho  
470 CH2COH+ ketene, protonated ch2coh+  
471 CH3CO- Acetyl anion ch3co-  
472 CH2NOH formaldoxime ch2noh  
473 CH3NO nitrosomethane ch3no  
474 CNOH3 1,2-oxaziridine cnoh3  
475 HOCHNH hydroxymethylimine hochnh  
476 CHSNH2 thioformamide chsnh2  
477 NHCHSH Methanimidothioic acid nhchsh  
478 CH2OOH CH2OOH radical ch2ooh  
479 C2H4O+ ethylene oxide cation c2h4o+  
480 CH3CHO+ acetaldehyde cation ch3cho+  
481 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
482 CH2CHSH Ethenethiol ch2chsh  
483 H2CONH2+ protonated formamide h2conh2+  
484 NH2CHOH+ Formamide, O-protonated nh2choh+  
485 NH3CHO+ Formamide, N-Protonated nh3cho+  
486 CH2(OH)2 methanediol ch2o2h2  
487 CH3SSH Hydrogen methyl disulfide ch3ssh  
488 HSCH2SH Methanedithiol ch4s2  
489 C2H4OH+ ethylene oxide, protonated c2h4oh+  
490 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
491 CH3CH2O Ethoxy radical ethoxy  
492 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
493 CH3CHOH+ acetaldehyde, protonated ch3choh+  
494 CH3OCH2 methoxymethyl radical ch3och2  
495 NH2CH2OH aminomethanol nh2ch2oh  
496 CH3SCH3+ dimethyl sulfide cation mesme+  
497 CH3SeCH3 dimethylselenide dmse  
498 CuF2 Copper difluoride cuf2  
499 CNF iso cyanogen fluoride cnf  
500 ICN Cyanogen iodide icn  
501 FBO Boron monofluoride monoxide fbo  
502 BeF2 Beryllium fluoride bef2  
503 MgF2 Magnesium fluoride mgf2  
504 BeCl2 Beryllium chloride becl2  
505 CaCl2 Calcium Chloride cacl2  
506 BeBr2 Beryllium bromide bebr2  
507 CaBr2 Calcium dibromide cabr2  
508 CaF2 Calcium difluoride caf2  
509 FCO Carbonyl fluoride fco  
510 FCO+ Carbonyl fluoride cation fco+  
511 ClCO carbonyl monochloride clco  
512 BF2 Boron difluoride radical bf2  
513 FNS Thionitrosyl fluoride fns  
514 FSN Thiazyl fluoride fsn  
515 OPCl Phosphorus oxychloride opcl  
516 BrNO Nitrosyl bromide brno  
517 INO Nitrosyl iodide ino  
518 CF2 Difluoromethylene cf2  
519 CFCl chlorofluoromethylene cfcl  
520 SiF2 Silicon difluoride sif2  
521 SiF2+ Silicon difluoride cation sif2+  
522 GeF2 Germanium difluoride gef2  
523 GeCl2 Germanium dichloride gecl2  
524 CBr2 dibromomethylene cbr2  
525 FOO+ Fluorine dioxide cation foo+  
526 OClO- Chlorine dioxide anion oclo-  
527 ClSO Sulfur chloride oxide clso  
528 BrOO Bromine dioxide broo  
529 OBrO Bromine dioxide radical obro  
530 PF2 Phosphorus difluoride pf2  
531 PF2+ Phosphorus difluoride cation pf2+  
532 FClO chlorosyl fluoride fclo  
533 ClOF Chlorine hypofluorite clof  
534 SF2- sulfur difluoride anion sf2-  
535 SeF2 Selenium difluoride sef2  
536 BrOCl Bromine hypochlorite brocl  
537 SeCl2 Selenium Dichloride secl2  
538 SBr2 Sulfur dibromide sbr2  
539 SeBr2 Selenium dibromide sebr2  
540 BrOBr Bromine oxide brobr  
541 F3- trifluoride anion f3-  
542 Cl3- trichloride anion cl3-  
543 Br3- tribromide anion br3-  
544 I3- triiodide i3-  
545 SFCl Sulfur chloride fluoride sfcl  
546 HCCF+ fluoroacetylene cation hccf+  
547 HCCCl Chloroacetylene hcccl  
548 HCCBr bromoacetylene hccbr  
549 HFCO+ formyl fluoride cation hfco+  
550 CHCl2 dichloromethyl radical chcl2  
551 CHF2 difluoromethyl radical chf2  
552 CHF2+ difluoromethyl cation chf2+  
553 CHFCl Chlorofluoromethyl radical chfcl  
554 CHFCl+ Chlorofluoromethyl cation chfcl+  
555 CHCl2+ dichloromethyl cation chcl2+  
556 CHBr2 dibromomethyl radical chbr2  
557 HOClO Chlorous acid hoclo  
558 NHF2 difluoramine nhf2  
559 NHCl2 dichloroamine nhcl2  
560 SiH2F2 difluorosilane sih2f2  
561 CH2BrF Methane, bromofluoro- ch2fbr  
562 CH2BrCl Methane, bromochloro- ch2clbr  
563 CH2FI fluoroiodomethane ch2fi  
564 CH2ClI chloroiodomethane ch2cli  
565 CH2BrI bromoiodomethane ch2bri  
566 CH2I2 Diiodomethane ch2i2  
567 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
568 CH2CHF+ fluoroethene cation ch2chf+  
569 C2H3I Vinyl iodide c2h3i  
570 CH2FOH fluoromethanol ch2foh  
571 CH3OCl methyl hypochlorite ch3ocl  
572 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
573 CHClCH3 1-chloroethyl radical chclch3  
574 CH3SiFH2 fluoromethylsilane ch3sifh2  
575 C2H5I Ethyl iodide c2h5i  
576 KrF2 Krypton difluoride krf2  
577 XeF2 Xenon difluoride xef2  
578 B4H10 Tetraborane(10) b4h10  
579 C4H4 cyclobutadiene cbd  
580 C4H4 Tetrahedrane c4h4  
581 CHCCH2CH3 1-Butyne c107006  
582 CH3CHCHCH2 methylallyl radical c4h7  
583 C4H8 methylcyclopropane mcp  
584 B(CH3)3 trimethylborane bme3  
585 Al(CH3)3 trimethyl aluminum tma  
586 SiH(CH3)3 trimethylsilane trimsi  
587 Li3N trilithium nitride li3n  
588 As4 Arsenic tetramer as4  
589 H2CNCN cyanamide, methylene ch2ncn  
590 HNCCNH Ethenediimine hnccnh  
591 CH3N3 methyl azide ch3n3  
592 NH2CCNH2 Diaminoacetylene daa  
593 NH2CH2CN Aminoacetonitrile aan  
594 CH3NHN2+ methyl azide, protonated ch3nhn2+  
595 C2H5CN ethyl cyanide c2h5cn  
596 CH5N3 Guanidine guanidine  
597 C4H6 Bicyclo[1.1.0]butane c157335  
598 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
599 H2NCHCHNH2 diaminoethylene dae  
600 CH6N3+ guanidinium ch6n3+  
601 CH7N3 triaminomethane tam  
602 C3H7N Azetidine azet  
603 NH2CH2CH2CH3 1-Propanamine pram1  
604 P(CH3)3 trimethylphosphine tmp  
605 N(SiH3)3 trisilylamine tsa  
606 (CH3)3NH+ protonated trimethyl amine ptma  
607 C3H7NH3+ n-propylamine, protonated c3h7nh2  
608 Li2O2 dilithium dioxide li2o2  
609 Na2O2 disodium dioxide na2o2  
610 K2O2 dipotassium dioxide k2o2  
611 C3O Tricarbon monoxide c3o  
612 S2N2 Disulfur dinitride s2n2  
613 CO3 Carbon trioxide co3  
614 CS3-- Carbonotrithioate cs3--  
615 NO3 Nitrogen trioxide no3  
616 NO3- nitrate anion no3-  
617 SO3-- Sulfate dianion so3--  
618 SeO3 selenium trioxide seo3  
619 S4 Sulfur tetramer s4  
620 TeO3 Tellurium trioxide teo3  
621 HSO3 Hydroxysulfonyl radical hso3  
622 NH2NO2 nitramide nh2no2  
623 C2H2CO cyclopropenone c2h2co  
624 C3H2O Propadienal c3h2o  
625 HCCCHO 2-propynal hcccho  
626 C2H2O2+ Ethanedial cation c2h2o2+  
627 H2CO3 Carbonic acid h2co3  
628 H2CS3 thiocarbonic acid h2cs3  
629 H2NO3+ Nitric Acid, Protonated h2no3+  
630 H2SO3 Sulfurous acid h2so3  
631 C2H3NO Nitrosoethylene c2h3no  
632 CH3NCO methylisocyante ch3nco  
633 HOCH2CN cyanomethanol hoch2cn  
634 NH2COOH Carbamic acid nh2cooh  
635 H3AlO3 Aluminum hydroxide h3alo3  
636 H3CO3+ carbonic acid, protonated h3co3+  
637 NH2CONH2+ Urea cation urea+  
638 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
639 NH3COOH+ protonated Carbamic acid nh3cooh+  
640 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
641 CH3COCH2 Acetonyl radical ch3coch2  
642 CH2C(OH)NH2 1-amino vinyl alchohol ava  
643 CH3C(OH)=NH Ethaninidic acid eia  
644 HCONHCH3 N-methylformamide nmfa  
645 CH3CSNH2 Ethanethioamide ch3csnh2  
646 CH5N2O+ urea, N-protonated ch4n2o+  
647 H2NCOHNH2+ urea, protonated ureah+  
648 C2H5OO ethylperoxy radical c2h5oo  
649 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
650 C3H5OH Cyclopropanol cproh  
651 C3H6O 2-Propen-1-ol c107186  
652 C3H6O Acetone enol enol  
653 C3H6O Oxetane oxetane  
654 CH3COCH3- acetone anion ch3coch3-  
655 CH3CSCH3 Thioacetone ch3csch3  
656 CH3COHCH3+ acetone, protonated acetoneh+  
657 HOCH2CH2NH2 monoethanolamine mea  
658 Li2F2 Lithium fluoride dimer li2f2  
659 Na2F2 Sodium Fluoride Dimer na2f2  
660 FNO2 Nitryl fluoride fno2  
661 FONO Nitrosyl hypofluorite fono  
662 ClONO chlorine nitrite clono  
663 BrONO Bromine nitrite brono  
664 CF2O+ Carbonic difluoride cation f2co+  
665 Cl2CS Thiophosgene cl2cs  
666 BClF2 Chlorodifluoroborane bclf2  
667 ScF3 Scandium trifluoride ScF3  
668 BCl3+ Boron Trichloride cation bcl3+  
669 GaF3 Gallium trifluoride gaf3  
670 GaCl3 Gallium trichloride gacl3  
671 BBr3 Boron tribromide bbr3  
672 AlBr3 Aluminum Bromide albr3  
673 ClO3 Chlorine trioxide clo3  
674 BrO3- Bromate anion bro3-  
675 CF2Cl difluorochloromethyl radical cf2cl  
676 SiF3 Silicon trifluoride radical sif3  
677 SiF3+ Silicon trifluoride cation sif3+  
678 CFCl2 dichlorofluoromethyl radical cfcl2  
679 CBr3 tribromomethyl radical cbr3  
680 FOOF Perfluoroperoxide foof  
681 ClO2F Chloryl fluoride clo2f  
682 F2SO Thionyl Fluoride f2so  
683 ClOOCl Dichlorine dioxide cloocl  
684 SSCl2 Thiothionyl chloride sscl2  
685 SbF3 Antimony Trifluoride sbf3  
686 AsCl3 Arsenous trichloride ascl3  
687 SbCl3 Antimony Trichloride sbcl3  
688 NBr3 Nitrogen Tribromide nbr3  
689 PBr3 Phosphorus tribromide pbr3  
690 AsBr3 Arsenic tribromide asbr3  
691 NI3 Nitrogen triiodide ni3  
692 PI3 Phosphorus triiodide pi3  
693 SF3 Sulfur trifluoride sf3  
694 ClF3 Chlorine trifluoride clf3  
695 IF3 iodone trifluoride if3  
696 HClO3 Chloric Acid hclo3  
697 SiHF3 trifluorosilane sihf3  
698 CDCl3 trichloromethane-d cdcl3  
699 CHBrF2 Methane, bromodifluoro- chbrf2  
700 CHFClBr fluorochlorobromomethane chfclbr  
701 CHF2I difluoroiodomethane chf2i  
702 CHBr2F dibromofluoromethane chbr2f  
703 CHFClI fluorochloroiodomethane chfcli  
704 CHCl2I dichloroiodomethane chcl2i  
705 CHI3 Iodoform chi3  
706 NF3H+ protonated nitrogen trifluoride nf3h+  
707 AsF3H+ Arsenic trifluoride, protonated asf3h+  
708 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
709 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
710 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
711 C2H2Br2 1,1-dibromoethene c2h2br2  
712 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
713 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
714 CH2FCHO Fluoroacetaldehyde ch2fcho  
715 CH2ClCHO chloroacetaldehyde ch2clcho  
716 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
717 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
718 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
719 CH2CFCH3 2-fluoropropene 2fpro  
720 CH2CHCH2F Allyl Fluoride allylf  
721 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
722 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
723 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
724 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
725 CH2FCH2CH3 1-Fluoropropane prf1  
726 CH3CHFCH3 2-Fluoropropane prf2  
727 CH3CHClCH3 Propane, 2-chloro- prcl2  
728 CH3CH2CH2Br n-propyl bromide prbr  
729 CH3CHBrCH3 i-propyl bromide iprbr  
730 C3H9O+ trimethyl oxonium cation c3h9o+  
731 B5H9 pentaborane9 b5h9  
732 C5H4 pentatetraene ptrene  
733 C5H5 cyclopentadienyl radical c5h5  
734 C5H6 Propellane propellane  
735 C5H7 1,3-pentadienyl radical pdyl  
736 C5H7 cyclopentenyl radical cpyl  
737 C5H8 1-pentyne a1pentyne  
738 C5H8 Bicyclo[1.1.1]pentane bcp  
739 C5H8 Ethenylcyclopropane c693867  
740 CH3CCCH2CH3 2-Pentyne 2pentyne  
741 CH2N4 1H-Tetrazole 1htz  
742 C3H3N2 imidazolyl radical im  
743 C3H3N2- imidizolyl anion im-  
744 C2H3N3 1H-1,2,4-Triazole c288880  
745 C4H4N pyrrolide radical c4h4n  
746 C4H4N- pyrrolide anion c4h4n-  
747 C3H4N2 2H-Imidazole imid2h  
748 C4H5N 2H-pyrrole pyrrole2  
749 C4H5N 3H-pyrrole pyrrole3  
750 CH2CHCH2CN Allylcyanide ch2chch2cn  
751 C4H6N+ pyrrole, alpha-protonated appyr  
752 C4H6N+ pyrrole, beta-protonated bppyr  
753 C4H6N+ pyrrole, protonated ppyr  
754 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
755 CH3CH2CH2CN Butanenitrile c109740  
756 NH(C2H5)2 diethylamine dea  
757 NC4H12+ tetramethyl ammonium cation nc4h12+  
758 B2O3 diboron trioxide b2o3  
759 MgCO3 Magnesium Carbonate mgco3  
760 BeCO3 Beryllium Carbonate beco3  
761 CaCO3 Calcium Carbonate caco3  
762 ONONO Nitrosyl nitrite onono  
763 HOONO2 peroxy nitric acid hoono2  
764 HSO4- bisulfate anion hso4-  
765 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
766 C3H2O2 Propiolic acid c3h2o2  
767 CHOCOOH oxo acetic acid oaa  
768 CHOOCHO diformyl ether choocho  
769 H2SeO4 Selenic acid h2seo4  
770 C3H3NO Oxazole oxazole  
771 C3H3NS Thiazole thiazole  
772 CH3C(O)OO acetyl peroxy radical ch3coo2  
773 H3PO4 Phosphoric Acid h3po4  
774 C4H4O+ Furan cation furan+  
775 CH3COCCH 3-butyn-2-one c1423605  
776 C4H4Se selenophene c4h4se  
777 C3H4O2 Methyl glyoxal megly  
778 HOCHCCHOH allenediol aldiol  
779 C2H4O3 1,2,3-trioxolane c2h4o3  
780 C2H4O3 trioxolane124 triox  
781 CH3SO2NH2 methanesulfonamide ch3so2nh2  
782 CH3CH2COOH Propanoic Acid propanoic  
783 HCOOC2H5 Ethyl formate faee  
784 C4H8O Furan, tetrahydro- thf  
785 C4H10O 1-Butanol butanol1  
786 C4H10O Methyl propyl ether meopr  
787 C4H10O+ 1-Butanol cation butanol1+  
788 C4H9SH 1-Butanethiol bush  
789 ClONO2 Chlorine nitrate clono2  
790 BrONO2 Bromine nitrate brono2  
791 SO2F2 Sulfuryl fluoride so2f2  
792 TiF4 Titanium tetrafluoride tif4  
793 GeF4 Germanium tetrafluoride gef4  
794 CCl4+ Carbon tetrachloride cation ccl4+  
795 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
796 CBrCl2F bromodichlorofluoromethane cbrcl2f  
797 CF3I trifluoroiodomethane cf3i  
798 CBrCl3 Methane, bromotrichloro- cbrcl3  
799 CBr2F2 Methane, dibromodifluoro- cbr2f2  
800 GeCl4 Germanium Tetrachloride gecl4  
801 CBr2ClF dibromochlorofluoromethane cbr2clf  
802 CBr2Cl2 dibromodichloromethane cbr2cl2  
803 CCl3I trichloroiodomethane ccl3i  
804 CFBr3 fluorotribromomethane cfbr3  
805 CFClBrI fluorochlorobromoiodomethane cfclbri  
806 CBr3Cl tribromochloromethane cbr3cl  
807 CF2I2 difluorodiiodomethane cf2i2  
808 CCl2I2 dichlorodiiodomethane ccl2i2  
809 SiBr4 Silicon tetrabromide sibr4  
810 CBr3I tribromoiododmethane cbr3i  
811 GeBr4 Germanium tetrabromide gebr4  
812 CI4 tetraiodomethane ci4  
813 SiI4 silicon tetraiodide sii4  
814 ClOF3 Chlorine trifluoride oxide clof3  
815 SeF4 Selenium tetrafluoride sef4  
816 SCl4 Sulfur tetrachloride scl4  
817 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
818 HClO4 perchloric acid hclo4  
819 CF3OH trifluoromethanol cf3oh  
820 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
821 CHClCCHCl 1,3-dichloroallene chclcchcl  
822 CHCl2CCH 3,3-dichloropropyne chcl2cch  
823 CHCl2CHO dichloroacetaldehyde chcl2cho  
824 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
825 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
826 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
827 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
828 SiCl3CH3 methyltrichlorosilane sicl3ch3  
829 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
830 NH3BCl3 Amminetrichloroboron nh3bcl3  
831 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
832 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
833 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
834 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
835 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
836 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
837 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
838 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
839 C4H9F 1-fluorobutane butaf1  
840 CH3CHFCH2CH3 2-fluorobutane butaf2  
841 XeF4 Xenon tetrafluoride xef4  
842 C2H2N2O Furazan furazan  
843 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
844 NH3BF3 Amminetrifluoroboron nh3bf3  
845 C6H2 hexatriyne c6h2  
846 C6H5- phenyl anion phenyl-  
847 C6H6 Prismane prismane  
848 C6H6 1,2,4,5-Hexatetraene ht1245  
849 C6H6 2,4-Hexadiyne hexadiyne  
850 C6H6 3,4-Dimethylenecyclobutene cb34m  
851 C6H6 Benzvalene bv  
852 C6H6 Dewar Benzene dewar  
853 C6H6 Hexa-1,5-diene-3-yne hdy153  
854 C6H6 Trimethylenecycopropane tmcp  
855 C6H6+ Benzene cation c6h6+  
856 C6H7+ benzene, protonated c6h7+  
857 C6H8 1,3-Cyclohexadiene cyhexadiene13  
858 C6H10 1,5-Hexadiene c592427  
859 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
860 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
861 C6H12 (E)-2-Hexene e2hexene  
862 C6H12 (E)-hex-3-ene e3hexene  
863 C6H12 (Z)-hex-2-ene z2hexene  
864 C6H12 (Z)-hex-3-ene z3hexene  
865 C6H12 2,3-dimethylbut-1-ene c563780  
866 C6H12 2,3-dimethyl-but-2-ene tmeet  
867 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
868 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
869 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
870 C4H2N2 Fumaronitrile c4h2n2  
871 C5H5N E-2,4-pentadienenitrile bdcn  
872 C5H6N+ Pyridinium c5h6n  
873 C6H10 Bicyclo[3.1.0]hexane c285585  
874 Li2CO3 Lithium Carbonate li2co3  
875 Na2CO3 Sodium Carbonate na2co3  
876 MgSO4 Magnesium Sulfate mgso4  
877 C3H2O3 vinylene carbonate vica  
878 C2H2O4 Oxalic Acid oxalic  
879 C4H4O2 2(5H)-Furanone furanone  
880 C2H4N2S2 Ethanedithioamide c79403  
881 C2H4CO3 Ethylene carbonate etco3  
882 C2H4O4 Formic acid dimer fadimer  
883 C2H5NO3 Nitric acid, ethyl ester c625581  
884 C5H6O 2H-Pyran pyran2  
885 C5H6O 2-methylfuran furan2m  
886 C5H6O 3-Methylfuran furan3m  
887 C5H6O Pentadienal pdal  
888 C4H6O2 γ–Butyrolactone c96480  
889 C4H6O2 Crotonic Acid crot  
890 C3H6S3 1,3,5-Trithiane c3h6s3  
891 C4H7NO Ethoxyacetonitrile etoaccn  
892 HCONH2CN2H4 formamide aminomethanimine dimer d13  
893 C3H7ONO Propyl nitrite prono  
894 C5H8O Cyclopentanone c120923  
895 C5H8O Methyl cyclopropyl ketone c765435  
896 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
897 C4H8O2 Ethyl acetate c141786  
898 C5H10O 2-methylbutyraldehyde 2meba  
899 C5H12S 2-Butanethiol, 2-methyl- c1679090  
900 C4F2 difluorobutadiyne c4f2  
901 ClCOClCO Oxalyl chloride oxcl  
902 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
903 C2F4+ Tetrafluoroethylene cation c2f4+  
904 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
905 CF2CCl2 difluorodichloroethylene cf2ccl2  
906 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
907 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
908 C2FCl3 fluorotrichloroethene c2fcl3  
909 C2Br4 tetrabromoethene c2br4  
910 SiF5- silicon pentafluoride anion sif5-  
911 SOF4 Sulfur tetrafluoride oxide sof4  
912 SF5 Sulfur pentafluoride sf5  
913 SF5+ pentafluoro sulfur cation sf5+  
914 SbCl5 Antimony pentachloride sbcl5  
915 IF5 pentafluoroiodine if5  
916 CF3CHO trifluoroacetaldehyde cf3cho  
917 CCl3CHO trichloroacetaldehyde ccl3cho  
918 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
919 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
920 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
921 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
922 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
923 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
924 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
925 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
926 CF3COOH trifluoroacetic acid cf3cooh  
927 C4H3ClO Furan, 2-chloro fur2cl  
928 C4H3ClO Furan,3-chloro fur3cl  
929 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
930 C4H8O2 Butanoic acid bua  
931 C7H7 cycloheptatrienyl radical c7h7  
932 C7H7+ cycloheptatrienyl cation c7h7+  
933 C7H8 cycloheptatriene cht  
934 C7H8 Quadricyclane qucy  
935 C7H14 cycloheptane c7h14  
936 C7H16 2-methylhexane 2mhex  
937 C7H16 3-methylhexane hex3m  
938 CH(CN)3 tricyanomethane mecn3  
939 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
940 C6H7N 2-Methylpyridine mp  
941 C6H13N cyclohexanamine cham  
942 C6H15N triethylamine tea  
943 C4H2O3 Maleic Anhydride malan  
944 C6H5O phenoxy radical phenoxy  
945 C6H6O 2,4-Cyclohexadienone c24599573  
946 C6H6O 2,5-Cyclohexadienone c5664335  
947 C6H5SH Benzenethiol phsh  
948 HO2CCHNH2CH2OH Serine serine  
949 C5H8O2 Acetylacetone acac  
950 C4H8O2S Sulfolane sulfolane  
951 C7H10 Norbornene norbornene  
952 CH(C2H3)3 trivinyl methane tvm  
953 C6H12O hexanal c6h12o  
954 C6H12O Oxepane oxepane  
955 C3H7OC3H7 di-n-propyl ether propr  
956 F2CCCF2 tetrafluoroallene pfa  
957 CF3COO- trifluoro acetate anion cf3coo-  
958 CF3COF trifluoroacetyl fluoride cf3cof  
959 CF3COCl trifluoroacetyl chloride cf3cocl  
960 PF6 Hexafluorophosphate neutral pf6  
961 PF6- Hexafluorophosphate ion pf6-  
962 SeF6 Selenium hexafluoride sef6  
963 SF5Cl sulfur chloropentafluoride sf5cl  
964 CF3CHF2 pentafluoroethane cf3chf2  
965 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
966 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
967 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
968 CCl3CHCl2 pentachloroethane ccl3chcl2  
969 C8H6 Calicene calicene  
970 C8H6 benzocyclobutadiene bcbd  
971 C8H6 Pentalene pentalene  
972 CH3C6H4CH3 meta-xylene mxylene  
973 CH3C6H4CH3 paraxylene pxylene  
974 C8H16 cyclooctane cyclooct  
975 (CH3)3CC(CH3)3 tetramethylbutane tmb  
976 C4O4-- squarate dianion c4o4--  
977 S4N4 Tetrasulfur tetranitride s4n4  
978 C4H4N2O2 Uracil uracil  
979 C5H9NO2 Proline proline  
980 C4F4 tetrafluorcyclobutadiene c4f4  
981 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
982 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
983 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
984 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
985 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
986 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
987 C2F6 hexafluoroethane c2f6  
988 C2Cl6 hexachloroethane c2cl6  
989 IF7 Iodine heptafluoride if7  
990 C6H4F2 metadifluorobenzene mdfb  
991 C6H4Cl2 1,2-dichlorobenzene dcb12  
992 C6H4Cl2 1,3-dichlorobenzene dcb13  
993 C6H4Cl2 1,4-dichlorobenzene dcb14  
994 C6H5NO nitrosobenzene bzno  
995 C9H8 Indene indene  
996 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
997 C9H12 n-propyl benzene prbz  
998 C9H20 Nonane nonane  
999 C(CN)4 tetracyanomethane c5n4  
1000 C5H4N4 purine purine  
1001 C8H7N Indole indole  
1002 C3H3N3O3 cyanuric acid cyanuric  
1003 CH3COC6H5 acetophenone acph  
1004 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1005 C3F6 hexafluoropropene c3f6  
1006 C6H3F3 Benzene trifluoride 123 bzf3a  
1007 C8H18O 1-Octanol octanol  
1008 C10H8 Azulene azu  
1009 C10H10 bullvalene bullv  
1010 C6N4 Tetracyanoethylene tcne  
1011 C6N4- tetracyanoethylene anion tcne-  
1012 C10H22 Decane decane  
1013 C4F6 perfluorobutadiene c4f6  
1014 C3F8 perfluoropropane c3f8  
1015 Fe(CO)5 Iron pentacarbonyl ipc  
1016 Fe(C5H5)2 ferrocene fecp2  
1017 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1018 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1019 C12H8 Acenaphthylene acenaph  
1020 C12H8 biphenylene biph  
1021 C12H10 biphenyl biphenyl  
1022 C12H10 Heptalene heptalene  
1023 C6H12O6 Inositol inositol  
1024 C6F6 hexafluorobenzene c6f6  
1025 S2F10 disulphur decafluoride s2f10  
1026 C13H10 Fluorene fluorene  
1027 C14H10 Anthracene anth  
1028 C14H10 Phenanthrene phenanthrene  
1029 C14H14 Bibenzyl bibenzyl  
1030 C12H10N2 azobenzene azobenzene  
1031 C6H5COC6H5 benzophenone benzophenone  
1032 C16H10 Pyrene pyrene  
1033 C18H12 Tetracene tetracene  
1034 C19H16 Triphenylmethane tpm  
1035 C24H12 Coronene coronene  
1036 C60 Buckminsterfullerene c60