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List of which calculations are completed at HF /cc-pVQZ

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H- Hydrogen atom anion 2SKh
4 H+ Hydrogen atom cation  Kh
5 D2 Deuterium diatomic 1ΣgD∞h
6 H2 Hydrogen diatomic 1ΣgD∞h
7 H2- hydrogen diatomic anion 2Σu+D∞h
8 H2+ Hydrogen cation 2Σg+D∞h
9 HD Deuterium hydride 1ΣgD∞h
10 He Helium atom 1SKh
11 He Helium atom   
12 He- Helium atom anion 2SKh
13 He+ Helium atom cation 2SKh
14 HeH+ Helium hydride cation 1ΣC∞v
15 He2+ helium diatomic cation 2ΣuD∞h
16 Li Lithium atom 2SKh
17 Li- Lithium atom anion 1SKh
18 Li+ Lithium atom cation 1SKh
19 Na Sodium atom 2SKh
20 Na- Sodium atom anion 1SKh
21 Na+ Sodium atom cation 1SKh
22 LiH Lithium Hydride 1ΣC∞v
23 LiH- lithium hydride anion 2ΣC∞v
24 LiH+ lithium hydride cation 2ΣC∞v
25 NaH sodium hydride 1ΣC∞v
26 NaH- sodium hydride anion 2ΣC∞v
27 NaH+ sodium hydride cation 2ΣC∞v
28 Be Beryllium atom 1SKh
29 Be- Beryllium atom anion 2PKh
30 Be+ Beryllium atom cation 2SKh
31 Mg Magnesium atom 1SKh
32 Mg- Magnesium atom anion 2PKh
33 Mg+ Magnesium atom cation 2SKh
34 BeH beryllium monohydride 2ΣC∞v
35 BeH- berylium monohydride anion 1ΣC∞v
36 BeH+ beryllium monohydride cation 1ΣC∞v
37 MgH magnesium monohydride 2ΣC∞v
38 MgH- magnesium monohydride anion 1ΣC∞v
39 MgH+ magnesium monohydride cation 1ΣC∞v
40 CaH Calcium monohydride 2ΣC∞v
41 CaH+ Calcium monohydride cation 2ΣC∞v
42 TiH Titanium monohydride 4ΦC∞v
43 ZnH+ Zinc, protonated   
44 BeH2 beryllium dihydride 1ΣgD∞h
45 BeH2+ Beryllium dihydride cation 2ΣC∞v
46 BeH2+ Beryllium dihydride cation 2ΣuD∞h
47 BeH2+ Beryllium dihydride cation   
48 MgH2 magnesium dihydride 1ΣgD∞h
49 B Boron atom 2PKh
50 B Boron atom 4PKh
51 B- Boron atom anion 3PKh
52 B+ Boron atom cation 1SKh
53 Al Aluminum atom 2PKh
54 Al- Aluminum atom anion 3PKh
55 Al+ Aluminum atom cation 1SKh
56 Sc Scandium atom 2DKh
57 Sc+ Scandium cation 3DKh
58 Ga Gallium atom 2P 
59 Ga- Gallium atom anion 3POh
60 Ga+ Gallium atom cation 1S 
61 BH Boron monohydride 1ΣC∞v
62 BH Boron monohydride 3ΠC∞v
63 BH- boron monohydride anion 2ΠC∞v
64 BH- boron monohydride anion 4ΣC∞v
65 BH+ boron monohydride cation 2ΣC∞v
66 AlH aluminum monohydride 1ΣC∞v
67 AlH- aluminum monohydride anion 2ΠC∞v
68 AlH+ aluminum monohydride cation 2ΣC∞v
69 ScH Scandium monohydride 1ΣC∞v
70 GaH Gallium monohydride 1ΣC∞v
71 GaH+ Gallium monohydride cation 2ΣC∞v
72 BH2 boron dihydride 2A1C2v
73 BH2- boron dihydride anion 3B1C2v
74 BH2- boron dihydride anion 1A1C2v
75 BH2+ Boron dihydride cation 1ΣgD∞h
76 AlH2 aluminum dihydride 2A1C2v
77 AlH2- aluminum dihydride anion 1A1C2v
78 AlH2+ aluminum dihydride cation 1ΣgD∞h
79 BH3 boron trihydride 1A1'D3h
80 BH3- boron trihydride anion 2A2"D3h
81 BH3+ boron trihydride cation 2B2C2v
82 BH3+ boron trihydride cation  C2v
83 AlH3 aluminum trihydride 1A1'D3h
84 AlH3- aluminum trihydride anion 2A2"D3h
85 AlH3- aluminum trihydride anion  C3v
86 AlH3+ aluminum trihydride cation 2ED3h
87 AlH3+ aluminum trihydride cation 2A1C2v
88 ScH3 Scandium trihydride 1A1'D3h
89 ScH3 Scandium trihydride 1A1C3v
90 GaH3 Gallium trihydride 1A1'D3h
91 BH4 borohydride 2B2C2v
92 BH4- borohydride anion 1A1Td
93 C Carbon atom 3P0Kh
94 C Carbon atom 3P1Kh
95 C- Carbon atom anion 4SKh
96 C- Carbon atom anion 2DKh
97 C+ Carbon atom cation 2PKh
98 Si Silicon atom 3PKh
99 Si Silicon atom 1SKh
100 Si- Silicon atom anion 4SKh
101 Si+ Silicon atom cation 2PKh
102 Ge Germanium atom 3PKh
103 Ge- Germanium anion 4SKh
104 Ge+ Germanium cation 2PKh
105 CH Methylidyne 2Π1/2C∞v
106 CH Methylidyne 4Σ-C∞v
107 CH- methylidyne anion 3ΣC∞v
108 CH+ Methylidyne cation 1ΣC∞v
109 SiH Silylidyne 2ΠC∞v
110 SiH- silicon monohydride anion 3ΣC∞v
111 SiH+ silicon monohydride cation 1ΣC∞v
112 GeH germylidene 2ΠC∞v
113 GeH+ Germaniun monohyrdide cation 1ΣC∞v
114 CH2 Methylene 3B1C2v
115 CH2 Methylene 3ΣGD∞h
116 CH2 Methylene 1A1C2v
117 CH2- methylene anion 2B1C2v
118 CH2+ methylene cation 2A1C2v
119 CH2+ methylene cation 2ΠD∞h
120 SiH2 silicon dihydride 1A1C2v
121 SiH2 silicon dihydride 3B1C2v
122 SiH2- silicon dihydride anion 2B1C2v
123 SiH2+ silicon dihydride cation 2A1C2v
124 GeH2 germylene 1A1C2v
125 GeH2- germylene anion 2B1C2v
126 CH3 Methyl radical 2A1D3h
127 CH3- methyl anion 1A1C3v
128 CH3+ methyl cation 1A1'D3h
129 SiH3 Silyl radical 2A1C3v
130 SiH3- Silyl anion 1A1C3v
131 SiH3+ Silyl cation 1A1'D3h
132 GeH3 Germyl radical 2A1C3v
133 GeH3+ germyl cation 1A1'D3h
134 CD4 methane-d4 1A1Td
135 CH2D2 methane-d2 1A1C2v
136 CH3D methane-d 1A1C3v
137 CH4 Methane 1A1Td
138 CH4- Methane anion 2A1Td
139 CH4- Methane anion 2A1C3v
140 CH4+ Methane cation 2B1C2v
141 CH4+ Methane cation 2T2Td
142 CH4+ Methane cation 2B2D2d
143 CHD3 methane-d3 1A1C3v
144 SiH2D2 silane-d2   
145 SiH4 Silane 1A1Td
146 GeH4 Germane 1A1Td
147 SiH5+ Silane, protonated   
148 N Nitrogen atom 4SKh
149 N- Nitrogen atom anion 3SKh
150 N+ Nitrogen atom cation 3PKh
151 P Phosphorus atom 4SKh
152 P- Phosphorus atom anion 3PKh
153 P+ Phosphorus atom cation 3PKh
154 V Vanadium atom 4FKh
155 V+ Vanadium atom cation 5DKh
156 As Arsenic atomic 4SKh
157 As- Arsenic anion 3PKh
158 As+ Arsenic cation 3PKh
159 NH Imidogen 3Σ-C∞v
160 NH Imidogen 1Σ+C∞v
161 NH- Imidogen anion 2ΠC∞v
162 NH+ imidogen cation 2ΠC∞v
163 PH phosphorus monohydride 3Σ-C∞v
164 PH phosphorus monohydride 1ΔC∞v
165 PH- phosphorus monohydride anion 2ΠC∞v
166 PH+ phosphorus monohydride cation 2ΠC∞v
167 AsH Arsenic monohydride 3ΣC∞v
168 AsH Arsenic monohydride 1ΣC∞v
169 AsH+ Arsenic monohydride cation 2ΠC∞v
170 ND2 Amidogen-d2 2B1C2v
171 NH2 Amino radical 2B1C2v
172 NH2- amino anion 1A1C2v
173 NH2+ Amino cation 3B1C2v
174 NH2+ Amino cation 1A1C2v
175 PH2 Phosphino radical 2B1C2v
176 PH2- Phosphino anion 1A1C2v
177 PH2+ Phosphino cation 1A1C2v
178 AsH2 Arsenic dihydride 2A1C2v
179 AsH2+ Arsenic dihydride cation 1A1C2v
180 ND3 Ammonia-d3 1A1C3v
181 NH3 Ammonia 1A1C3v
182 NH3- Ammonia anion 2A1C3v
183 NH3+ ammonia cation 2A2"D3h
184 PH3 Phosphine 1A1C3v
185 PH3+ Phosphine cation 2A1C3v
186 AsH3 Arsine 1A1C3v
187 AsH3+ Arsine cation 2A1C3v
188 AsH4+ Arsonium   
189 NH4 Ammonium radical   
190 NH4+ ammonium cation 1A1Td
191 PH4 Phosphoranyl radical   
192 PH4+ phosphonium cation   
193 O Oxygen atom 3SKh
194 O- Oxygen atom anion 2PKh
195 O+ Oxygen atom cation 4SKh
196 S Sulfur atom 3PKh
197 S Sulfur atom   
198 S- Sulfur atom anion 2PKh
199 S+ Sulfur atom cation 4SKh
200 Se Selenium atom 3PKh
201 Se- Selenium atom anion 2PKh
202 Se+ Selenium atom cation 4SKh
203 DO Hydroxyl-d 2ΠC∞v
204 OH Hydroxyl radical 2ΠC∞v
205 OH- hydroxide anion 1ΣC∞v
206 OH+ hydoxyl cation 3ΣC∞v
207 OH+ hydoxyl cation 1ΣC∞v
208 DS Mercapto-d 2ΠC∞v
209 HS Mercapto radical 2ΠC∞v
210 HS- mercapto anion 1ΣC∞v
211 HS+ sulfur monohydride cation 3ΣC∞v
212 CrH Chromium hydride 6ΣC∞v
213 CrH+ Chromium hydride cation 5ΣC∞v
214 HSe Selenium monohydride 2ΠC∞v
215 HSe- selenium monohydride anion 1ΣC∞v
216 HSe+ selenium monohydride cation 3ΣC∞v
217 HSe+ selenium monohydride cation 1ΣC∞v
218 D2O Deuterium oxide 1A1C2v
219 H2O Water 1A1C2v
220 H2O- water anion 2A1C2v
221 H2O- water anion 2A'Cs
222 H2O+ water cation 2B1C2v
223 HDO Water-d1 1A1C2v
224 D2S Hydrogen sulfide-d2 1A1C2v
225 H2S Hydrogen sulfide 1A1C2v
226 H2S- Hydrogen sulfide anion 2A'Cs
227 H2S+ Hydrogen sulfide cation 2B1C2v
228 H2Se Hydrogen selenide 1A1C2v
229 H2Se+ Hydrogen selenide cation 2B1C2v
230 H3O+ hydronium cation 1A1C3v
231 H3S+ Sulfonium cation 1A1C3v
232 H3Se+ Hydrogen Selenide, protonated 1A1C3v
233 F Fluorine atom 2PKh
234 F- Fluorine atom anion 1SKh
235 F+ Fluorine atom cation 3SKh
236 F+ Fluorine atom cation 1DKh
237 Cl Chlorine atom 2PKh
238 Cl- Chlorine atom anion 1SKh
239 Cl+ Chlorine atom cation 3PKh
240 Cl+ Chlorine atom cation 1DKh
241 Br Bromine atom 2PKh
242 Br- Bromine atom anion 1SKh
243 Br+ Bromine atom cation 3PKh
244 DF Hydrofluoric acid-d 1ΣC∞v
245 HF Hydrogen fluoride 1ΣC∞v
246 HF- hydrogen fluoride anion 2ΣC∞v
247 HF+ hydrogen fluoride cation 2ΠC∞v
248 DCl Hydrochloric acid-d 1ΣC∞v
249 HCl Hydrogen chloride 1ΣC∞v
250 HCl- hydrogen chloride anion 2ΣC∞v
251 HCl+ hydrogen chloride cation 2ΠC∞v
252 HBr hydrogen bromide 1ΣC∞v
253 HBr- hydrogen bromide anion 2ΣC∞v
254 HBr+ hydrogen bromide cation 2ΠC∞v
255 H2Cl+ dihydrogen monochloride cation 1A1C2v
256 H2Br+ protonated hydrogen bromide 2A1C2v
257 Ne Neon atom 1SKh
258 Ne Neon atom   
259 Ne- Neon atom anion 2SKh
260 Ne+ Neon atom cation 2PKh
261 Ar Argon atom 1SKh
262 Ar- Argon atom anion 2SKh
263 Ar+ Argon atom cation 2PKh
264 Kr Krypton atom 1SKh
265 Kr+ Krypton cation 2PKh
266 HeLi+ Helium Lithium cation   
267 NeH neon hydrogen 2ΣC∞v
268 NeH+ neon hydrogen cation 1ΣC∞v
269 ArH+ Argon hydride cation 1ΣC∞v
270 KrH+ Protonated Krypton 1ΣC∞v
271 H2Ar H2 Ar dimer 1ΣC∞v
272 Li2 Lithium diatomic 1ΣgD∞v
273 Li2- lithium diatomic anion 2ΣuD∞h
274 Li2+ lithium diatomic cation 2ΣgD∞h
275 NaLi lithium sodium 1ΣC∞v
276 NaLi- lithium sodium anion 2ΣC∞v
277 NaLi+ lithium sodium cation 2ΣC∞v
278 Na2 Sodium diatomic 1ΣgD∞h
279 Na2- sodium diatomic anion 2ΣuD∞h
280 Na2+ sodium diatomic cation 2ΣgD∞h
281 LiBe Lithium Beryllium 2ΣC∞v
282 LiMg Lithium magnesium 2ΣC∞v
283 NaBe Sodium Beryllium 2ΣC∞v
284 NaMg Sodium Magnesium 2ΣC∞v
285 Be2 Beryllium diatomic 1ΣgD∞h
286 Be2 Beryllium diatomic 3ΠgD∞h
287 Be2- Beryllium diatomic anion 2ΠuD∞h
288 Be2+ Beryllium diatomic cation 2ΣuD∞h
289 BeMg Beryllium Magnesium 1ΣC∞v
290 Mg2 Magnesium diatomic 1ΣgD∞h
291 Mg2- magnesium diatomic anion 2ΠUD∞h
292 Mg2+ magnesium diatomic cation 2ΣuD∞h
293 Ca2 Calcium diatomic 1ΣGD∞h
294 LiB Lithium boride 3ΠC∞v
295 LiAl Lithium Aluminum   
296 NaAl Sodium aluminum 1ΣC∞v
297 BeB Beryllium monoboride 2ΠC∞v
298 B2 Boron diatomic 3ΣgD∞h
299 B2 Boron diatomic 1ΣgD∞h
300 B2 Boron diatomic 5ΣuD∞h
301 B2- Boron diatomic anion 4ΣgD∞h
302 B2+ Boron diatomic cation 2ΠD∞h
303 BAl Boron Aluminum 3ΣC∞v
304 Al2 Aluminum diatomic 3ΣgD∞h
305 Al2 Aluminum diatomic 1ΣgD∞h
306 BGa Boron Gallium 3ΣC∞v
307 AlGa Aluminum Gallium 3ΣC∞v
308 AlGa Aluminum Gallium 1ΣC∞v
309 Ga2 Gallium diatomic 3Piu 
310 HBBH Diborane(2) 3ΣGD∞h
311 LiBH4 Lithium borohydride 1A1C3v
312 B2H4 Diborane(4) D2d 1A1D2d
313 HBHHBH Diborane(4) C2V 1A1C2v
314 B2H6 Diborane 1AgD2h
315 B2H6+ Diborane cation   
316 Al2H6 dialane 1AGD2h
317 Ga2H6 digallane 1AGD2h
318 LiC Lithium Carbide 4ΣC∞v
319 BeC Beryllium Carbide 3Σ-C∞v
320 BeC Beryllium Carbide   
321 CaC Calcium monocarbide   
322 BC boron monocarbide 4Σ-C∞v
323 BC boron monocarbide 2ΠC∞v
324 BC- boron monocarbide anion 3ΠuC∞v
325 BC- boron monocarbide anion 1Σg+C∞v
326 BC+ boron monocarbide cation 3ΣC∞v
327 BC+ boron monocarbide cation 1ΣC∞v
328 AlC Aluminum carbide 4ΣC∞v
329 BSi Boron silicide 4ΣC∞v
330 BSi Boron silicide 2ΣC∞v
331 C2 Carbon diatomic 1Σg+D∞h
332 C2 Carbon diatomic 3ΠuD∞h
333 C2- carbon diatomic anion 2ΣgD∞h
334 C2+ carbon diatomic cation 4ΣgD∞h
335 C2+ carbon diatomic cation 2ΠD∞h
336 SiC silicon monocarbide 3ΣC∞v
337 SiC silicon monocarbide 1ΣC∞v
338 SiC- silicon monocarbide anion 2ΣgC∞v
339 SiC+ silicon monocarbide cation 2ΠC∞v
340 Si2 Silicon diatomic 3ΣgD∞h
341 Si2 Silicon diatomic 1ΣgD∞h
342 Si2- silcon diatomic anion 2ΣgD∞h
343 Si2+ silcon diatomic cation 2ΠD∞h
344 GeC Germanium monocarbide 1ΣC∞v
345 GeC Germanium monocarbide   
346 SiGe Silicon Germanium   
347 Ge2 Germanium diatomic 3ΣgD∞h
348 C2H Ethynyl radical 2ΣC∞v
349 C2H- Ethynyl anion 1ΣC∞v
350 C2H+ Ethynyl cation 3ΠC∞v
351 C2H+ Ethynyl cation 1ΣC∞v
352 C2H2 Acetylene 1ΣgD∞h
353 C2H2+ acetylene cation 2ΠuD∞h
354 C2H2+ acetylene cation   
355 CCH2 vinylidene 1A1C2v
356 CCH2 vinylidene 3B2C2v
357 H2CC- vinylidene anion   
358 HCCH- acetylene anion   
359 HCCH- acetylene anion   
360 Si2H2 disilyne   
361 Si2H2 disilyne   
362 Si2H2 disilyne   
363 Si2H2 disilyne   
364 CH3Li methyl lithium 1A1C3v
365 CH2BH methyleneborane 1A1C2v
366 C2H3 vinyl 2A'Cs
367 C2H3- vinyl anion 1A'Cs
368 C2H3+ vinyl cation 1A1C2V bridging H
369 C2H3+ vinyl cation 1A1C2V HCCH2
370 C2H4 Ethylene 1AgD2h
371 C2H4- Ethylene anion 2B2gD2h
372 C2H4- Ethylene anion 2AgC2h
373 C2H4+ Ethylene cation 2B3uD2h
374 C2H4+ Ethylene cation 2B3D2
375 CH3CH methylmethylene 3A"Cs
376 CH2SiH2 silaethylene 1A1C2v
377 Si2H4 Disilene   
378 Si2H4 Disilene   
379 Si2H4 Disilene   
380 CH3BH2 methylborane 1A'Cs
381 C2H5 Ethyl radical 2A'Cs
382 C2H5- Ethyl anion 1A'Cs
383 C2H5+ Ethyl cation 1A1C2v
384 C2H6 Ethane 1A1gD3d
385 C2H6 Ethane 1A1'D3h
386 C2H6+ ethane cation 2BgC2h
387 C2H6+ ethane cation 2AgCi
388 CH3SiH3 methyl silane 1A1C3
389 Si2H6 disilane 1EuD3d
390 GeH3CH3 methyl germane 1A1C3v
391 C2H7+ Ethane, protonated 1AC2
392 LiN Lithium Nitride 3ΣC∞v
393 LiN Lithium Nitride 1ΣC∞v
394 LiN+ Lithium Nitride cation 4ΣC∞v
395 LiP Lithium monophosphide   
396 LiP Lithium monophosphide   
397 BeN Beryllium mononitride 4ΣC∞v
398 BeN Beryllium mononitride 2ΠC∞v
399 BeN- Beryllium mononitride anion 1ΣC∞v
400 BeN+ Beryllium mononitride cation 3ΣC∞v
401 BeN+ Beryllium mononitride cation 1ΣC∞v
402 MgN Magnesium Nitride   
403 MgN Magnesium Nitride   
404 BN- boron nitride anion 2ΣC∞v
405 AlN- aluminum mononitride anion 2ΣC∞v
406 AlN+ aluminum mononitride cation 2ΠC∞v
407 BP Boron monophosphide 3ΠC∞v
408 BP Boron monophosphide 1ΣC∞v
409 AlP Aluminum monophosphide 3ΣC∞v
410 AlP Aluminum monophosphide 3ΠC∞v
411 AlP Aluminum monophosphide 1ΣC∞v
412 GaN Gallium mononitride 3ΠC∞v
413 GaN Gallium mononitride 1ΣC∞v
414 GaP Gallium monophosphide 3ΣC∞v
415 GaP Gallium monophosphide 1ΣC∞v
416 GaAs Gallium arsenide 3Π 
417 GaAs Gallium arsenide 1Σ 
418 BN boron nitride 3ΠC∞v
419 BN boron nitride 1ΣC∞v
420 BN+ boron nitride cation 2ΠC∞v
421 AlN Aluminum nitride 3ΠiC∞v
422 AlN Aluminum nitride 1ΣC∞v
423 CN Cyano radical 2ΣC∞v
424 CN- cyanide anion 1ΣC∞v
425 CN+ Cyano cation 1ΣC∞v
426 CP Carbon monophosphide 2ΣC∞v
427 CP- carbon monophosphide anion 1ΣC∞v
428 CP+ carbon monophosphide cation 1ΣC∞v
429 SiN Silicon nitride 2ΣC∞v
430 SiN- silicon mononitride anion 1ΣC∞v
431 SiN+ silicon mononitride cation 3ΠC∞v
432 SiP Silicon monophosphide 2ΠC∞v
433 SiP- Silicon monophosphide anion 1ΣC∞v
434 SiP+ Silicon monophosphide cation 3ΣC∞v
435 SiP+ Silicon monophosphide cation 1ΣC∞v
436 N2 Nitrogen diatomic 1ΣgD∞h
437 N2 Nitrogen diatomic   
438 N2- nitrogen diatomic anion 2ΠgD∞h
439 N2+ diatomic nitrogen cation 2ΣgD∞h
440 PN Phosphorus mononitride 1ΣC∞v
441 PN- phosphorus nitride anion 2ΠC∞v
442 PN+ phosphorus nitride cation 2ΠC∞v
443 P2 Phosphorus diatomic 1ΣgD∞h
444 P2- phosphorus diatomic anion 2ΠgD∞h
445 P2+ phosphorus diatomic cation 2ΠUD∞h
446 AsN Arsenic mononitride 1ΣC∞v
447 AsP Arsenic monophosphide 1ΣC∞v
448 HNB hydrogen nitrogen boron 2ΣC∞v
449 HNC hydrogen isocyanide 1ΣC∞v
450 HCN Hydrogen cyanide 1ΣC∞v
451 HCN- Hydrogen cyanide anion 2A'Cs
452 HCN+ hydrogen cyanide cation 2ΠC∞v
453 HNC+ hydrogen isocyanide cation   
454 HCP Phosphaethyne 1ΣC∞v
455 HCP+ Phosphaethyne cation   
456 NNH+ Dinitrogen monohydride cation 1ΣC∞v
457 HPO Hydrogen phosphorus oxide 1A'Cs
458 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
459 LiNH2 lithium amide   
460 HBNH Boranimine 1ΣC∞v
461 CNH2 Aminomethylidyne radical 2B2C2v
462 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
463 H2CN Dihydrogen cyanide radical 2B2C2v
464 H2CN+ hydrocyanonium cation 1A1C2v
465 HCNH methyleneazane 2A'CS cis
466 HCNH methyleneazane 2A'CS trans
467 HCNH+ N-protonated HCN 1ΣC∞v
468 H2NN Isodiazene   
469 N2H2 (E)-diazene 1AgC2h
470 N2H2 (Z)-Diazene 1A1C2v
471 N2H2+ trans-diazene cation 2AGC2h
472 CH2NH Methanimine 1A'Cs
473 CH2NH+ Methanimine cation   
474 CHNH2 aminomethylene   
475 CHNH2+ Aminocarbene cation   
476 CH2PH Phosphaethene 1A'Cs
477 BH2NH2 Boranamine   
478 CH2NH2+ methyleneamine cation 1A1C2v
479 N2H4 Hydrazine 1AC2
480 N2H4+ hydrazine cation 2AGC2h
481 P2H4 Diphosphine 1AC2
482 CH3NH2 methyl amine 1A'Cs
483 CH3NH2+ methyl amine cation 2A'Cs
484 CH3PH2 Methyl phosphine 1A'Cs
485 SiH3NH2 Silane, amino   
486 N2H5+ protonated hydrazine 1A'Cs
487 BH3PH3 borane phosphine   
488 BH3NH3 borane ammonia 1A1C3v
489 CH3NH3 methyl ammonium radical 2A1C3v
490 CH3NH3+ protonated methylamine 1A1C3v
491 CH3PH3+ methyl phosphine, protonated 1A1C3v
492 NH3NH3 Ammonia Dimer 1AgC2h
493 NH3NH3 Ammonia Dimer 1A'Cs
494 N2H7+ ammonia ammonium dimer   
495 LiO lithium oxide 2ΣC∞v
496 LiO- lithium oxide anion 1ΣC∞v
497 LiO- lithium oxide anion 3ΣC∞v
498 LiO+ lithium oxide cation 3ΣC∞v
499 LiO+ lithium oxide cation 1ΣC∞v
500 LiS Lithium monosulfide 2ΠC∞v
501 LiS+ Lithium sulfide cation 3ΣC∞v
502 NaO sodium monoxide 2ΣC∞v
503 NaO- sodium oxide anion 1ΣC∞v
504 NaO+ sodium oxide cation 3ΣC∞v
505 NaS Sodium sulfide 2ΠC∞v
506 LiSe Lithium monoselenide   
507 BeO beryllium oxide 1ΣC∞v
508 BeO- Beryllium monoxide anion 2ΣC∞v
509 BeO+ Beryllium monoxide cation 2ΠC∞v
510 BeS beryllium sulfide 1ΣC∞v
511 MgO magnesium oxide 1Σ+C∞v
512 MgO- magnesium oxide anion 2ΣC∞v
513 MgO+ magnesium oxide cation 2ΠC∞v
514 CaO Calcium monoxide 1ΣC∞v
515 MgS magnesium sulfide 1ΣC∞v
516 MgS- magnesium sulfide anion 2ΣC∞v
517 MgS+ magnesium sulfide cation 2ΠC∞v
518 ZnS Zinc sulfide 1Σ+C∞v
519 BO boron monoxide 2ΣC∞v
520 BO- boron monoxide anion 1ΣC∞v
521 AlO Aluminum monoxide 2ΣC∞v
522 AlO- Aluminum monoxide anion 1ΣC∞v
523 AlO+ aluminum monoxide cation 1ΣC∞v
524 BS boron sulfide 2ΣC∞v
525 BS- boron monosulfide anion 1ΣC∞v
526 BS+ boron monosulfide cation 1ΣC∞v
527 AlS Aluminum sulfide 2ΣC∞v
528 AlS- aluminum monosulfide anion 1ΣC∞v
529 AlS+ aluminum monosulfide cation 1ΣC∞v
530 ScO Scandium monoxide 2ΣC∞v
531 GaO Gallium monoxide 2ΣC∞v
532 GaS Gallium monosulfide   
533 BO+ boron monoxide cation 1ΣC∞v
534 CO Carbon monoxide 1ΣC∞v
535 CO Carbon monoxide 3ΠC∞v
536 CO- carbon monoxide anion 2ΠC∞v
537 CO+ carbon monoxide cation 2ΣC∞v
538 CS carbon monosulfide 1ΣC∞v
539 CS- carbon monosulfide anion 2ΠC∞v
540 SiO Silicon monoxide 1ΣC∞v
541 SiO- silicon monoxide anion 2ΠC∞v
542 SiO+ silicon monoxide cation 2ΣC∞v
543 SiS silicon monosulfide 1ΣC∞v
544 SiS- silicon monosulfide anion 2ΠC∞v
545 SiS+ silicon monosulfide cation 2ΣC∞v
546 TiO Titanium monoxide 3ΔC∞v
547 CSe Carbon monoselenide 1ΣC∞v
548 CSe- Carbon monoselenide anion 2ΠC∞v
549 CSe+ Carbon monoselenide cation 2ΣC∞v
550 GeO Germanium monoxide 1ΣC∞v
551 GeO+ Germanium monoxide cation 2ΣC∞v
552 GeS Germanium monosulfide 1ΣC∞v
553 SiSe Silicon Monoselenide   
554 SiSe+ Silicon Monoselenide cation   
555 GeSe Germanium monoselenide   
556 NO Nitric oxide 2ΠC∞v
557 NO- nitric oxide anion 3ΣC∞v
558 NO- nitric oxide anion 1ΔC∞v
559 NO+ nitric oxide cation 1ΣC∞v
560 NS Mononitrogen monosulfide 2ΠC∞v
561 NS- nitrogen sulfide anion 3ΣC∞v
562 NS- nitrogen sulfide anion 1ΣC∞v
563 NS+ nitrogen sulfide cation 1ΣC∞v
564 PO Phosphorus monoxide 2ΠC∞v
565 PO- phosphorus monoxide anion 3ΣC∞v
566 PO+ phosphorus monoxide cation 1ΣC∞v
567 PS phosphorus sulfide 2ΣC∞v
568 PS- phosphorus monosulfide anion 3ΣC∞v
569 PS- phosphorus monosulfide anion 1ΣC∞v
570 PS+ phosphorus monosulfide cation 1ΣC∞v
571 VO Vanadium monoxide 4Σ- 
572 NSe Nitrogen monoselenide 2ΠC∞v
573 AsS Arsenic monosulfide 2ΠC∞v
574 PSe Phosphorus monoselenide 2ΠC∞v
575 AsSe Arsenic monoselenide 2ΠC∞v
576 O2 Oxygen diatomic 3ΣgD∞h
577 O2 Oxygen diatomic 1ΔgD∞h
578 O2- oxygen diatomic anion 2ΠD∞h
579 O2-- dioxygen dianion   
580 O2+ diatomic oxygen cation 2ΠgD∞h
581 SO Sulfur monoxide 3ΣC∞v
582 SO Sulfur monoxide 1ΣC∞v
583 SO- sulfur monoxide anion 2ΠC∞v
584 SO+ sulfur monoxide cation 2ΠC∞v
585 S2 Sulfur diatomic 3ΣgD∞h
586 S2 Sulfur diatomic 1ΣD∞h
587 S2+ sulfur diatomic cation 2ΠD∞h
588 SeO Selenium monoxide 3ΣC∞v
589 SeO Selenium monoxide 1?C∞v
590 SeO- selenium monoxide anion 2ΠC∞v
591 SeO+ selenium monoxide cation 2ΠC∞v
592 SeS- selenium monosulfide anion 2ΠC∞v
593 SeS+ selenium monosulfide cation 2ΠC∞v
594 Se2 Selenium diatomic 3ΣgD∞h
595 Se2 Selenium diatomic 1Σg+D∞h
596 Se2- selenium diatomic anion 2ΠD∞h
597 Se2+ selenium diatomic cation 2ΠgD∞h
598 LiOH lithium hydroxide 1ΣC∞v
599 NaOH sodium hydroxide 1ΣC∞v
600 BeOH beryllium monohydroxide 2A'Cs
601 BeOH beryllium monohydroxide 2ΣC∞v
602 MgOH magnesium hydroxide 2A'Cs
603 HBO Boron hydride oxide 1ΣC∞v
604 HBS hydrogen boron sulfide 1ΣC∞v
605 COH Hydroxymethylidyne   
606 COH+ Carbon Monoxide, protonated 1ΣC∞v
607 HCO Formyl radical 2A'Cs
608 HCO- formyl anion 1A'Cs
609 HCO+ Formyl cation 1ΣC∞v
610 HCS- Thioformyl anion 1A'Cs
611 HCS+ Thioformyl cation 1ΣC∞v
612 HNO Nitrosyl hydride 1A'Cs
613 HNO- Nitrosyl hydride anion 2A"Cs
614 HNO+ Nitrosyl hydride cation 2A'Cs
615 NOH Hydroxyimidogen 3A"Cs
616 NOH+ O-protonated nitric oxide 2A'Cs
617 HNS Sulfur imide 1A'Cs
618 HNS- Sulfur imide anion 2ACs
619 HO2 Hydroperoxy radical 2A"Cs
620 HO2- Hydroperoxy anion 1A'Cs
621 HO2+ Hydroperoxy cation 3A"Cs
622 HO2+ Hydroperoxy cation 1A'Cs
623 HSO+ Sulfur Monoxide, S-protonated   
624 SOH Sulfur Hydroxide   
625 SOH+ Sulfur Monoxide, protonated   
626 HS2 Thiosulfeno radical 2A"Cs
627 H2CO Formaldehyde 1A1C2v
628 H2CO- formaldehyde anion 2A'Cs
629 H2CO- formaldehyde anion   
630 H2CO+ formaldehyde cation 2B2C2v
631 HOCH hydroxycarbene 1A'CS trans
632 HOCH hydroxycarbene 1A'CS cis
633 H2CS Thioformaldehyde 1A1C2v
634 H2CS- thioformaldehyde anion   
635 H2CS- thioformaldehyde anion   
636 H2CS+ thioformaldehyde cation 2B2C2v
637 H2CSe Selenoformaldehyde   
638 H2NO nitroxide 2B1C2v
639 H2NO nitroxide 2A'Cs
640 H2O2 Hydrogen peroxide 1AC2
641 H2O2 Hydrogen peroxide 1AgC2h
642 H2O2+ Hydrogen peroxide cation 2BgC2h
643 H2O2+ Hydrogen peroxide cation 2A1C2v
644 H2OO water oxide   
645 HOSH hydrogen thioperoxide   
646 H2S2 Disulfane 1AC2
647 H2S2+ hydrogen disulfide cation 2BgC2h
648 H2Se2 hydrogen diselenide   
649 CH2OH Hydroxymethyl radical 2AC1
650 CH2OH+ hydroxymethyl cation 1A'Cs
651 CH3O Methoxy radical 2A'C1
652 CH3O- methoxy anion 1A1C3v
653 CH3O+ Methoxy cation 3A1C3v
654 CH3S thiomethoxy 2A'C3v
655 H2CSH+ Thioformaldehyde, protonated 1A'Cs
656 NH2OH hydroxylamine 1A'Cs
657 NH2OH+ Hydroxylamine cation   
658 NH3O Ammonia Oxide 1A1C3v
659 H2POH Phosphinous acid 1A1'CS trans
660 H2POH Phosphinous acid 1A1'CS cis
661 H3PO Phosphine oxide 1A1C3v
662 NH2SH Thiohydroxylamine   
663 CH3OH Methyl alcohol 1A'Cs
664 CH3OH- Methyl alcohol anion 2A'Cs
665 CH3OH- Methyl alcohol anion 2A'CS eclipsed
666 CH3OH+ Methyl alcohol cation 2A"Cs
667 CH3SH Methanethiol 1A'Cs
668 CH3SH+ Methanethiol cation 2A"Cs
669 SiH3OH silanol   
670 CH3SeH Methane selenol 1A'Cs
671 NH2OH2+ protonated hydroxylamine   
672 NH3OH+ N-protonated hydroxylamine   
673 H2OH2O water dimer 1A'Cs
674 CH3OH2+ Methanol, protonated 1A'Cs
675 H5O2+ Dihydroxonium ion 1AC2
676 LiF lithium fluoride 1ΣC∞v
677 LiCl lithium chloride 1ΣC∞v
678 LiCl- lithium chloride anion 2ΣC∞v
679 LiCl+ lithium chloride cation 2ΠC∞v
680 NaF sodium fluoride 1ΣC∞v
681 NaF- sodium fluoride anion 2ΣC∞v
682 NaF+ sodium fluoride cation 2ΣC∞v
683 NaCl Sodium Chloride 1ΣC∞v
684 NaCl- sodium chloride anion 2ΣC∞v
685 NaCl+ sodium chloride cation 2ΠC∞v
686 LiBr Lithium Bromide 1ΣC∞v
687 NaBr Sodium Bromide 1ΣC∞v
688 LiF- lithium fluoride anion 2ΣC∞v
689 LiF+ lithium fluoride cation 2ΠC∞v
690 BeF Beryllium monofluoride 2ΣC∞v
691 BeF- Beryllium monofluoride anion 1ΣC∞v
692 BeF+ Beryllium monofluoride cation 1ΣC∞v
693 BeCl beryllium monochloride 2ΣC∞v
694 MgF Magnesium monofluoride 2ΣC∞v
695 MgF- magnesium fluoride anion 1ΣC∞v
696 MgF+ magnesium fluoride cation 1ΣC∞v
697 MgCl magnesium monochloride 2ΣC∞v
698 MgCl- magnesium monochloride anion 1ΣC∞v
699 MgCl+ magnesium monochloride cation 1ΣC∞v
700 ZnF Zinc monofluoride 2ΣC∞v
701 CaBr Calcium monobromide   
702 BeCl- beryllium monochloride anion 1ΣC∞v
703 BeCl+ beryllium monochloride cation 1ΣC∞v
704 BF Boron monofluoride 1ΣC∞v
705 BF- Boron monofluoride anion 2ΠC∞v
706 BF+ Boron monofluoride cation 2ΣC∞v
707 AlF Aluminum monofluoride 1Σ+C∞v
708 AlF- Aluminum monofluoride anion 2ΠC∞v
709 AlF+ Aluminum monofluoride cation 2ΣC∞v
710 BCl boron monochloride 1ΣC∞v
711 BCl- boron monochloride anion 2ΠC∞v
712 BCl+ boron monochloride cation 2ΣC∞v
713 AlCl Aluminum monochloride 1ΣC∞v
714 ScF Scandium monofluoride 1ΣC∞v
715 BBr Boron monobromide 1ΣC∞v
716 GaF Gallium monofluoride 1ΣC∞v
717 GaF+ Gallium monofluoride cation 2ΣC∞v
718 AlBr Aluminum monobromide   
719 GaCl Gallium monochloride 1ΣGC∞v
720 GaCl+ Gallium monochloride cation 2ΣC∞v
721 GaBr Gallium monobromide   
722 CF Fluoromethylidyne 2ΠC∞v
723 CF- carbon monofluoride anion 1ΣC∞v
724 CF+ carbon monofluoride cation 1ΣC∞v
725 CCl carbon monochloride 2ΠC∞v
726 CCl+ carbon monochloride cation 1ΣC∞v
727 SiF silicon monofluoride 2ΠC∞v
728 SiF- silicon monofluoride anion 3ΣC∞v
729 SiF+ silicon monofluoride cation 1ΣC∞v
730 SiCl Clorosilylidyne 2ΠC∞v
731 SiCl- silicon monochloride anion 3ΣC∞v
732 SiCl+ silicon monochloride cation 1ΣC∞v
733 CBr Carbon monobromide 2ΠC∞v
734 GeF Germanium monofluoride 2ΠC∞v
735 GeF+ Germanium monofluoride cation 1ΣC∞v
736 GeCl Germanium monochloride 2ΠC∞v
737 GeCl+ Germanium monochloride cation   
738 SiBr Silicon monobromide 2ΠC∞v
739 SiBr+ Silicon monobromide cation   
740 NF nitrogen fluoride 3ΣC∞v
741 NF nitrogen fluoride 1ΣC∞v
742 NF- nitrogen monofluorine anion 2ΠC∞v
743 NF+ nitrogen monofluoirde cation 2ΠC∞v
744 NCl nitrogen monochloride 3ΣC∞v
745 NCl nitrogen monochloride 1ΣC∞v
746 NCl- nitrogen monochloride anion 2ΠC∞v
747 NCl+ nitrogen monochloride cation 2ΠC∞v
748 PF phosphorus monofluoride 3ΣC∞v
749 PF phosphorus monofluoride 1ΔC∞v
750 PF- phosphorus monofluoride anion 2ΠC∞v
751 PF+ phosphorus monofluoride cation 2ΠC∞v
752 PCl phosphorus chloride 3ΣC∞v
753 PCl phosphorus chloride 1ΣC∞v
754 PCl- phosphorus monochloride anion 2ΠC∞v
755 PCl+ phosphorus monochloride cation 2ΠC∞v
756 AsF Arsenic monofluoride 3ΣC∞v
757 AsF Arsenic monofluoride 1ΔC∞v
758 NBr nitrogen monobromide 3Σ-C∞v
759 AsCl Arsenic monochloride 3ΣC∞v
760 PBr Phosphorus monobromide   
761 FO Oxygen monofluoride 2ΠC∞v
762 FO- flourine oxide anion 1ΣC∞v
763 FO+ fluorine monoxide cation 3ΣC∞v
764 ClO Monochlorine monoxide 2ΠC∞v
765 ClO+ chlorine monoxide cation 3ΣC∞v
766 ClO+ chlorine monoxide cation 1ΣC∞v
767 SF Monosulfur monofluoride 2ΠC∞v
768 SF- sulfur monofluoride anion 1ΣC∞v
769 SF+ sulfur monofluoride cation 3ΣC∞v
770 SF+ sulfur monofluoride cation 1ΣC∞v
771 SCl sulfur monochloride 2ΠC∞v
772 SCl- sulfur monochloride anion 1ΣC∞v
773 SCl+ sulfur monochloride cation 3ΣgC∞v
774 SCl+ sulfur monochloride cation 1ΣC∞v
775 BrO Bromine monoxide 2ΠC∞v
776 BrO- Bromine monoxide anion 1ΣC∞v
777 BrO+ Bromine monoxide cation   
778 SeF Selenium monofluoride 2ΠC∞v
779 SBr Sulfur monobromide radical   
780 SBr+ Sulfur monobromide cation   
781 SeCl Selenium monochloride 2ΠC∞v
782 SeBr Selenium monobromide   
783 BrCl Bromine monochloride 1ΣC∞v
784 F2 Fluorine diatomic 1ΣgD∞h
785 F2- flourine diatomic anion 2ΣuD∞h
786 F2+ flourine diatomic cation 2ΠgD∞h
787 ClF Chlorine monofluoride 1Σ+C∞v
788 ClF+ clorine monofluoride cation 2ΠC∞v
789 Cl2 Chlorine diatomic 1ΣgD∞h
790 Cl2- chlorine diatomic anion 2ΣuD∞h
791 Cl2+ chlorine diatomic cation 2ΠgD∞h
792 BrF Bromine monofluoride 1ΣC∞v
793 Br2 Bromine diatomic 1ΣgD∞h
794 Br2- bromine diatomic anion 2ΣuD∞h
795 Br2+ bromine diatomic cation 2ΠgD∞h
796 HCF Fluoromethylene 1A'Cs
797 HCF Fluoromethylene 3A"Cs
798 HCCl Chloromethylene 1A'Cs
799 HCCl Chloromethylene 3A"Cs
800 HSiF fluorosilylene   
801 HSiCl Chlorosilylene   
802 HSiBr monobromosilylene   
803 CHBr bromomethylene 1A'Cs
804 CHBr bromomethylene 3A"Cs
805 HOF Hypofluorous acid 1A'Cs
806 DOCl Hypochlorous acid-d 1A'Cs
807 HOCl hypochlorous acid 1A'Cs
808 HOCl+ hypochlorous acid cation   
809 HOBr Hypobromous acid 1A'Cs
810 HOBr+ Hypobromous acid cation 2A"Cs
811 F2H+ Fluorine, protonated 1A'Cs
812 FHF- Hydrogen difluoride anion 1ΣgD∞h
813 ClFH+ Chlorine fluoride, F-protonated   
814 FClH+ Chlorine fluoride, Cl-protonated   
815 Cl2H+ Chlorine, protonated 1A'Cs
816 CH2Br bromomethyl radical   
817 CH2F fluoromethyl radical 2ACs
818 CH2F+ fluoromethyl cation   
819 CH2Cl+ chloromethyl cation   
820 CH2Cl chloromethyl radical 2A'Cs
821 CH2Cl chloromethyl radical 2B1C2v
822 NH2F monofluoroamine 1A'Cs
823 NH2Cl chloramine 1A'Cs
824 CH3F+ methyl fluoride cation   
825 CD3F methylfluoride-d3 1A1C3v
826 CH3F Methyl fluoride 1A1C3v
827 CD3Cl methyl chloride d3 1A1C3v
828 CH3Cl Methyl chloride 1A1C3v
829 CH3Cl+ Methyl chloride cation   
830 SiH3F monofluorosilane 1A1C3v
831 SiH3Cl chlorosilane 1A1C1
832 CH3Br methyl bromide 1A1C3v
833 GeH3F monofluorogermane   
834 GeH3Cl monochlorogermane   
835 NH3Cl+ protonated monochloroammonia   
836 CH3ClH+ methyl chloride, protonated   
837 NH4Cl Ammonium chloride   
838 LiNe+ Lithium Neon cation   
839 Ne2 Neon diatomic 1ΣgD∞h
840 Ne2+ Neon diatomic cation 2ΣuD∞h
841 Ar2 Argon diatomic 1SgD∞h
842 Ar2+ Argon diatomic cation 2ΣuD∞h
843 Li3 Lithium trimer 2B2C2v
844 Li3+ Lithium trimer cation 1A1'D3h
845 C3 carbon trimer 1ΣgD∞h
846 C3 carbon trimer 1A1C2v
847 C3+ carbon trimer cation 2ΣuD∞h
848 SiC2 Silicon dicarbide   
849 C3H3 Propargyl radical 2B1Cs
850 C3H3- Propargyl anion 1A'Cs
851 C3H3+ cyclopropenyl cation 1A1D3h
852 C3H3+ Propargyl cation 1A1C2v
853 C3H4 cyclopropene 1A1C2v
854 CH2CCH2 allene 1A1D2d
855 CH3CCH propyne 1A'C3v
856 C3H5 Allyl radical 2A2C2v
857 CH3CHCH 1-propenyl radical 2A'Cs
858 C3H6 Cyclopropane 1A1'D3h
859 CH2CHCH3 Propene 1A'Cs
860 C3H7 n-Propyl radical 2A"C1
861 C3H7+ cyclopropane, protonated   
862 CH3CHCH3 Isopropyl radical 2AC2
863 CH3CHCH3+ Isopropyl cation 1AC2
864 C3H8 Propane 1A1C2v
865 Si3H8 trisilane   
866 LiCN lithium cyanide 1ΣC*V LiCN
867 LiCN lithium cyanide 1A'Cs
868 LiCN lithium cyanide 1ΣC*V LiNC
869 NaCN Sodium Cyanide 1ΣC∞v
870 NaCN Sodium Cyanide 1ACs
871 NaCN Sodium Cyanide 1ΣC∞v
872 ZnCN Zinc monocyanide 2ΣC∞v
873 ZnNC Zinc isocyanide 2ΣC∞v
874 AlCN Aluminum monocyanide   
875 AlNC Aluminum isocyanide   
876 CN2 3H-Diazirin-3-ylidene 1A1C2v
877 CNN Diazocarbene   
878 NCN Cyanoimidogen 3ΣgD∞h
879 NCN Cyanoimidogen 1ΣgD∞h
880 N3 azide radical 2ΠgD∞h
881 N3+ azide cation 3ΣgD∞h
882 N3+ azide cation 3ΣC∞v
883 HCCN cyanomethylene 3ΣC∞v
884 HCCN cyanomethylene   
885 HN3 hydrogen azide 1A'Cs
886 HN3+ Hydrazoic acid cation   
887 HNCNH diiminomethane 1AC2
888 NH2CN cyanamide 1A'Cs
889 HNNNH+ 1,2-Triazadienium   
890 NH2NN+ hydrazoic acid, protonated   
891 CH3CN Acetonitrile 1A1C3v
892 CH3CN- acetonitrile anion 2EC3v
893 CH3CN+ Acetonitrile cation 2EC3v
894 CH3NC methyl isocyanide 1A1C3v
895 HCNCH2+ 2H-Azirine cation   
896 HNCNH2+ diiminomethane, protonated 1A'Cs
897 NH2CNH+ cyanamide, cn protonated   
898 NH3CN+ cyanamide, amine protonated   
899 CH3CHN methylmethaniminyl radical 2A'Cs
900 NHCHNH2 aminomethanimine 1AC1
901 C2H5N Aziridine 1A'C1
902 CH2NCH3 N-methylmethanimine 1A'Cs
903 CH3CHNH ethanimine 1A'CS NH up
904 C2H6N+ aziridine, protonated 1A1C2v
905 CH3CH2NH2 Ethylamine 1A'Cs
906 CH3CH2NH2 Ethylamine   
907 CH3NHCH3 Dimethylamine 1A'Cs
908 Li2O dilithium oxide 1ΣgD∞h
909 Li2O+ dilithium oxide cation 2ΠD∞h
910 Li2S dilithium sulfide 1ΣGD∞h
911 Li2S dilithium sulfide 1A1C2v
912 Na2O disodium monoxide 1ΣgLinear
913 Na2O disodium monoxide 1A1C2v
914 Na2S Sodium sulfide   
915 Na2S Sodium sulfide   
916 LiO2 Lithium dioxide   
917 NaO2 Sodium superoxide   
918 CCO Dicarbon monoxide 3ΣC∞v
919 CCO Dicarbon monoxide 1ΠC∞v
920 CNO- fulminate 1ΣC∞v
921 NCO isocyanato radical 2ΠC∞v
922 NCO- cyanate 1ΣC∞v
923 SCN thiocyanato radical 2ΠC∞v
924 BO2 Boron dioxide 2A'D∞h
925 BO2- Boron dioxide anion 1ΣgD∞h
926 BO2+ Boron dioxide cation 3ΣgD∞h
927 N2O Nitrous oxide 1ΣC∞v
928 N2O- Nitrous oxide anion 2A'Cs
929 N2O+ Nitrous oxide cation 2ΠC∞v
930 NNS Nitrogen sulfide 1ΣC∞v
931 CO2 Carbon dioxide 1ΣgD∞h
932 CO2- Carbon dioxide anion 2A1C2v
933 CO2+ Carbon dioxide cation 2ΠgD∞h
934 CO2+ Carbon dioxide cation 2ΠC∞v
935 OCS Carbonyl sulfide 1ΣC∞v
936 OCS+ Carbonyl sulfide cation 2ΠC∞v
937 SiO2 silicon dioxide 1ΣgD∞h
938 CS2 Carbon disulfide 1ΣgD∞h
939 CS2- Carbon disulfide anion 2A1C2v
940 CS2+ Carbon disulfide cation 2ΠD∞h
941 TiO2 Titanium dioxide 1A1C2v
942 GeO2 Germanium dioxide 1ΣgD∞h
943 OCSe Carbonyl selenide 1ΣC∞v
944 SCSe Carbon sulfide selenide   
945 GeS2 Germanium disulfide 1ΣGD∞h
946 NO2 Nitrogen dioxide 2A1C2v
947 NO2- Nitrogen dioxide anion 1A1C2v
948 NO2+ Nitrogen dioxide cation 1ΣGD∞h
949 NSO sulfinyl amidogen   
950 PO2 Phosphorus dioxide 2A1C2v
951 PO2- Phosphorus dioxide anion 1A1C2v
952 PO2+ Phosphorus dioxide cation 1ΣGD∞h
953 SNO Nitrogen oxide sulfide   
954 O3 Ozone 1A1Cs
955 O3- Ozone anion 2B1C2v
956 O3+ Ozone cation 2A1C2v
957 SO2 Sulfur dioxide 1A1C2v
958 SO2- Sulfur dioxide anion 2B1C2v
959 SO2+ Sulfur dioxide cation 2A1C2v
960 SSO Disulfur monoxide 1A'Cs
961 S3 Sulfur trimer 1A1C2v
962 S3 Sulfur trimer   
963 S3+ Sulfur trimer cation 2B2C2v
964 SeO2 Selenium dioxide 1A1C2v
965 SeO2+ Selenium dioxide cation 2A1C2v
966 HCCO ketenyl radical 2ΠC∞v
967 HCCO ketenyl radical 2A"Cs
968 HCNO fulminic acid 1ΣC∞v
969 HNCO Isocyanic acid 1A'Cs
970 HOCN cyanic acid 1A'Cs
971 HCOO formate neutral radical 2A'Cs
972 HOCO Hydrocarboxyl radical 1A'cis
973 HOCO Hydrocarboxyl radical 1A'trans
974 HOCO+ Hydrocarboxyl cation 1A'Cs
975 HNO2 Nitrous acid 1A'Cs
976 HNO2+ nitrous acid cation 2A'Cs
977 O3H+ protonated ozone 1A'Cs
978 O3H+ protonated ozone   
979 C2H2O Oxirene 1A1C2v
980 CH2CO Ketene 1A1C2v
981 CH2CO+ Ketene cation 2B1C2v
982 HCCOH ethynol 1A'Cs
983 CH2CS Thioketene   
984 Be(OH)2 Beryllium hydroxide   
985 Mg(OH)2 Magnesium dihydroxide 1AC2
986 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
987 NH2NO Nitrosamide 1AC1
988 CH2O2 Dioxirane 1A1C2v
989 H2COO Dioxymethyl radical 2A'Cs
990 H2COO+ dioxymethyl cation 2A'Cs
991 HCOOH Formic acid 1A'Cs
992 HCOOH Formic acid   
993 H2O3 Hydrogen trioxide 1AC2
994 CH2BOH hydroxy(methylene)borane 1A'Cs
995 BH3CO Borane carbonyl 1A1C3v
996 CH3BO Borane, methyloxo- 1A1C3v
997 CH2COH+ ketene, protonated   
998 CH3CO Acetyl radical 2A'Cs
999 CH3CO+ acetyl cation 1A1C3v
1000 CH2NOH formaldoxime 1A'Cs
1001 CH3NO nitrosomethane 1A'Cs
1002 CHONH2 formamide 1A'Planar
1003 CHONH2 formamide 1ANon-Planar
1004 CNOH3 1,2-oxaziridine 1AC1
1005 HOCHNH hydroxymethylimine 1A'CS H all up
1006 HOCHNH hydroxymethylimine 1A'CS OH down
1007 NHCHSH Methanimidothioic acid   
1008 CH3OO methylperoxy radical 2A"Cs
1009 CH3OO- methylperoxy anion 1A'Cs
1010 CH3OO+ methylperoxy cation 1A'Cs
1011 C2H4O Ethylene oxide 1A1C2v
1012 C2H4O+ ethylene oxide cation   
1013 CH2CHOH ethenol 1A'Cs
1014 CH3CHO Acetaldehyde 1A'Cs
1015 CH3CHO+ acetaldehyde cation   
1016 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
1017 C2H4S Thiirane 1A1C2v
1018 CH2CHSH Ethenethiol   
1019 CH3CHS Thioacetaldehyde 1A'C1
1020 H2CONH2+ protonated formamide 1A'Cs
1021 NH2CHOH+ Formamide, O-protonated   
1022 CH3OOH Methyl peroxide 1AC1
1023 CH3SSH Hydrogen methyl disulfide   
1024 HSCH2SH Methanedithiol   
1025 C2H4OH+ ethylene oxide, protonated 1A'Cs
1026 CH3CH2O Ethoxy radical 2A'Cs
1027 CH3CHOH 1-hydroxy-ethyl radical 2AC1
1028 CH3CH2OH Ethanol 1A'Cs
1029 CH3OCH3 Dimethyl ether 1A1C2v
1030 CH3CH2SH ethanethiol 1A'Cs
1031 CH3CH2SH ethanethiol 1AC1
1032 CH3SCH3 Dimethyl sulfide 1A1C2v
1033 CH3SCH3+ dimethyl sulfide cation   
1034 CNF iso cyanogen fluoride 1ΣC∞v
1035 FCN Cyanogen fluoride 1ΣC∞v
1036 ClCN chlorocyanogen 1ΣC∞v
1037 BrCN Cyanogen bromide 1ΣC∞v
1038 FBO Boron monofluoride monoxide   
1039 BeF2 Beryllium fluoride 1ΣgD∞h
1040 MgF2 Magnesium fluoride 1ΣgD∞h
1041 BeCl2 Beryllium chloride 1ΣgD∞h
1042 MgCl2 Magnesium dichloride 1ΣgC2v
1043 BeBr2 Beryllium bromide   
1044 FCO Carbonyl fluoride 2A'Cs
1045 FCO+ Carbonyl fluoride cation 1ΣC∞v
1046 ClCO carbonyl monochloride 2A'Cs
1047 BF2 Boron difluoride radical 2A1C2v
1048 FNO Nitrosyl fluoride 1A'Cs
1049 ClNO Nitrosyl chloride 1A'Cs
1050 FNS Thionitrosyl fluoride 1A'Cs
1051 FSN Thiazyl fluoride 1A'Cs
1052 OPCl Phosphorus oxychloride   
1053 BrNO Nitrosyl bromide 1A'Cs
1054 CF2 Difluoromethylene 1A1D∞h
1055 CF2- Difluoromethylene anion 2B1C2v
1056 CF2+ Difluoromethylene cation 2A1C2v
1057 CFCl chlorofluoromethylene 1A'Cs
1058 SiF2 Silicon difluoride 1A1C2v
1059 SiF2 Silicon difluoride 3B1C2v
1060 CCl2 dichloromethylene 1A1C2v
1061 CCl2- dichloromethylene anion 2B1C2v
1062 CCl2+ dichloromethylene cation 2A1C2v
1063 SiCl2 Dichlorosilylene 1A1C2v
1064 GeF2 Germanium difluoride 1A1C2v
1065 GeCl2 Germanium dichloride 1A1C2v
1066 FOO+ Fluorine dioxide cation   
1067 ClOO chloroperoxy radical 2A"Cs
1068 ClOO+ chloroperoxy cation 1A'Cs
1069 OClO Chlorine dioxide 2B1D∞h
1070 OClO- Chlorine dioxide anion 1A'Cs
1071 OClO+ Chlorine dioxide cation 1A1C2v
1072 ClSO Sulfur chloride oxide 2A"Cs
1073 ClS2 Sulfur chloride 2A"Cs
1074 BrOO Bromine dioxide   
1075 OBrO Bromine dioxide radical 2B1C2v
1076 NF2 Difluoroamino radical 2B1C2v
1077 NF2+ Difluoroamino cation 1A1C2v
1078 PF2 Phosphorus difluoride   
1079 PF2+ Phosphorus difluoride cation   
1080 FClO chlorosyl fluoride 1A'Cs
1081 F2O Difluorine monoxide 1A1C2v
1082 ClOF Chlorine hypofluorite 1A'Cs
1083 SF2 sulfur difluoride 1A1C2v
1084 SF2- sulfur difluoride anion 2A'Cs
1085 SF2- sulfur difluoride anion 2ΠD∞h
1086 SF2+ sulfur difluoride cation 2B1C2v
1087 Cl2O Dichlorine monoxide 1A1C2v
1088 SCl2 Sulfur dichloride 1A1C2v
1089 SeF2 Selenium difluoride   
1090 BrOCl Bromine hypochlorite 1A'Cs
1091 SeCl2 Selenium Dichloride   
1092 SBr2 Sulfur dibromide   
1093 SeBr2 Selenium dibromide   
1094 BrOBr Bromine oxide 1A1C2v
1095 F3- trifluoride anion 1ΣC∞v
1096 Br3- tribromide anion   
1097 SFCl Sulfur chloride fluoride   
1098 HCCF Fluoroacetylene 1ΣC∞v
1099 HCCF+ fluoroacetylene cation 2ΠC∞v
1100 HFCO+ formyl fluoride cation 2A'Cs
1101 COHCl Formyl chloride 1A'Cs
1102 COHBr Formyl bromide 1A'Cs
1103 BHF2 Difluoroborane 1A1C2v
1104 BHCl2 Borane, dichloro- 1A1C2v
1105 CHF2 difluoromethyl radical 2ACs
1106 CHF2+ difluoromethyl cation   
1107 CHFCl Chlorofluoromethyl radical   
1108 CHFCl+ Chlorofluoromethyl cation   
1109 CHCl2+ dichloromethyl cation   
1110 HOClO Chlorous acid 1AC1
1111 NHF2 difluoramine   
1112 NHCl2 dichloroamine   
1113 CH2F2 Methane, difluoro- 1A1C2v
1114 CH2FCl fluorochloromethane 1A'Cs
1115 SiH2F2 difluorosilane   
1116 CH2Cl2 Methylene chloride 1A1C2v
1117 CH2BrCl Methane, bromochloro- 1A'Cs
1118 CH2Br2 dibromomethane 1A1C2v
1119 SiH2Cl2 dichlorosilane 1A1C2v
1120 CH3MgBr Methyl Magnesium Bromide   
1121 CH2CHF Ethene, fluoro- 1A'Cs
1122 C2H3Cl Ethene, chloro- 1A'Cs
1123 C2H3Br vinyl bromide 1A'Cs
1124 CH2FOH fluoromethanol   
1125 C2H5F fluoroethane 1A'Cs
1126 CH3CH2Cl Ethyl chloride 1A'Cs
1127 C2H5Br Ethyl bromide 1A'Cs
1128 KrF2 Krypton difluoride 1ΣGD∞h
1129 B4H10 Tetraborane(10) 1A1C2v
1130 C4 Carbon tetramer 3ΣgD∞h
1131 C4 Carbon tetramer   
1132 C4+ Carbon tetramer cation 2ΠgD∞h
1133 C4H2+ diacetlyene cation 2ΠgD∞h
1134 C4H4 cyclobutadiene 1AgD2h
1135 C4H4 Tetrahedrane   
1136 C4H6 1-Methylcyclopropene 1AC1
1137 CH2CHCH2CH3 1-Butene 1AC1
1138 CH3CH2CH2CH3 Butane 1AgAnti
1139 CH3CH2CH2CH3 Butane 1AGauche
1140 Li3N trilithium nitride 1A'D3h
1141 C2N2 Cyanogen 1ΣgD∞h
1142 P4 Phosphorus tetramer 1A1Td
1143 As4 Arsenic tetramer 1A1Td
1144 HCCCN+ Cyanoacetylene cation 2ΠC∞v
1145 H2CNCN cyanamide, methylene   
1146 HNCCNH Ethenediimine   
1147 C3H3N+ acrylonitrile cation 2A"Cs
1148 C2H5CN ethyl cyanide 1A'Cs
1149 CH5N3 Guanidine 1AC1
1150 C4H6 Bicyclo[1.1.0]butane 1A1C2v
1151 CH7N3 triaminomethane   
1152 CH3NHNHCH3 dimethyl hydrazine 1AC2
1153 N(SiH3)3 trisilylamine   
1154 As(CH3)3 trimethyl arsine 1A1C3v
1155 Na2O2 disodium dioxide   
1156 C3O Tricarbon monoxide 1ΣC∞v
1157 ONNO NO dimer 1Agtrans C2H
1158 ONNO NO dimer 1A1cis C2V
1159 S2N2 Disulfur dinitride 1AGD2h
1160 NO3- nitrate anion 1A1'D3h
1161 NO3+ nitrogen trioxide cation 1A1C2v
1162 NO3+ nitrogen trioxide cation 1A1'D3h
1163 SO3 Sulfur trioxide 1A1'D3h
1164 SO3- Sulfur trioxide anion 2A1pyramidal
1165 SO3- Sulfur trioxide anion 2A2"planar
1166 SO3-- Sulfate dianion   
1167 SO3+ Sulfur trioxide cation 2A2'D3h
1168 S4 Sulfur tetramer   
1169 S4 Sulfur tetramer   
1170 S4 Sulfur tetramer   
1171 HNO3 Nitric acid 1A'Cs
1172 C3H2O Propadienal   
1173 C3H2O Propadienal   
1174 C2H2O2 Ethanedial 1AgC2h
1175 C2H3NO Nitrosoethylene   
1176 CH3NCO methylisocyante   
1177 CH3NO2 Methane, nitro- 1A'Cs
1178 H3BO3 Boric acid 1A'C3h
1179 H3AlO3 Aluminum hydroxide   
1180 CH2CHCHO Acrolein 1A'Cs
1181 CH2CHCHO Acrolein   
1182 NH2CONH2 Urea 1A1C2v
1183 CH3COCH2 Acetonyl radical 2A"Cs
1184 CH3CH2CHO Propanal 1A'Cs
1185 CH3COCH3 Acetone 1A1C2v
1186 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
1187 C3H7OH 1-Propanol   
1188 Li2F2 Lithium fluoride dimer   
1189 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
1190 BrONO Bromine nitrite 1A'CS trans
1191 CF2O Carbonic difluoride 1A1C2v
1192 CF2O+ Carbonic difluoride cation   
1193 COFCl Carbonic chloride fluoride 1A'Cs
1194 Cl2CS Thiophosgene 1A1C2v
1195 COBr2 Carbonic dibromide 1A1C2v
1196 BF3 Borane, trifluoro- 1A'D3h
1197 BF3- Borane, trifluoro- anion 2A1D3h
1198 BF3- Borane, trifluoro- anion 2A1C3v
1199 BF3+ boron trifluoride cation 2A2'D3h
1200 BF3+ boron trifluoride cation   
1201 AlF3 Aluminum trifluoride 1A1'D3h
1202 BCl3 Borane, trichloro- 1A1'D3h
1203 BCl3+ Boron Trichloride cation   
1204 GaF3 Gallium trifluoride 1A1'D3h
1205 GaCl3 Gallium trichloride 1A1'D3h
1206 CF3- Trifluoromethyl anion 1A1C3v
1207 CF3+ Trifluoromethyl cation 1A1'D3h
1208 CF2Cl difluorochloromethyl radical   
1209 SiF3+ Silicon trifluoride cation 1A1'D3h
1210 CFCl2 dichlorofluoromethyl radical   
1211 CCl3- Trichloromethyl anion 1A1C3v
1212 CCl3+ Trichloromethyl cation 1A1'D3h
1213 SiCl3 trichlorosilyl radical 2A1C3v
1214 SiCl3+ trichlorosilyl cation 1A1'D3h
1215 FOOF Perfluoroperoxide 1AC2
1216 ClO2F Chloryl fluoride 1A'Cs
1217 ClOOCl Dichlorine dioxide 1AC2
1218 FSSF Difluorodisulfane 1AC2
1219 S2F2 Thio-thionyl fluoride 1A'Cs
1220 SSCl2 Thiothionyl chloride   
1221 NF3 Nitrogen trifluoride 1A1C3v
1222 NF3- Nitrogen trifluoride anion 2A1C3v
1223 NF3- Nitrogen trifluoride anion 2ACs
1224 NF3+ Nitrogen trifluoride cation 2A1C3v
1225 NCl3 nitrogen trichloride 1A1C3v
1226 NBr3 Nitrogen Tribromide 1A1C3v
1227 PBr3 Phosphorus tribromide 1A1C3v
1228 SF3 Sulfur trifluoride 2A'Cs
1229 HClO3 Chloric Acid 1A'Cs
1230 HClO3 Chloric Acid 1AC1
1231 CHF3 Methane, trifluoro- 1A1C3v
1232 SiHF3 trifluorosilane   
1233 CHCl3 Chloroform 1A1C3v
1234 CHBrF2 Methane, bromodifluoro- 1A'Cs
1235 CHFClBr fluorochlorobromomethane 1AC1
1236 CHBrCl2 Methane, bromodichloro- 1A'Cs
1237 CHClBr2 Methane, dibromochloro- 1A'Cs
1238 AsF3H+ Arsenic trifluoride, protonated   
1239 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
1240 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
1241 C2H4F2 1,2-difluoroethane 1AgC2H anti
1242 C2H4F2 1,2-difluoroethane 1AC2 gauche
1243 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
1244 CH2CHCH2F Allyl Fluoride   
1245 CH2CHCH2F Allyl Fluoride   
1246 CH3CHCHF trans-1-Fluoro-1-propene   
1247 CH2FCH2OH 2-fluoroethanol   
1248 CH3CHFCH3 2-Fluoropropane 1A'Cs
1249 CH2ClCH2CH3 Propane, 1-chloro- 1A'anti
1250 CH2ClCH2CH3 Propane, 1-chloro- 1Agauche
1251 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
1252 B5H9 pentaborane9   
1253 C5H4 pentatetraene   
1254 C5H8 Bicyclo[1.1.1]pentane   
1255 C3H4N2 4H-Imidazole 1A'Cs
1256 C3O2 Carbon suboxide 1ΣGD∞h
1257 C3O2+ Carbon suboxide cation 2ΠUD∞h
1258 B2O3 diboron trioxide   
1259 B2O3 diboron trioxide   
1260 C3H2O2 Propiolic acid 1A'Cs
1261 C3H3NO Isoxazole 1A'Cs
1262 C4H4O Furan 1A1C2
1263 C2H4O3 1,2,3-trioxolane 1A'Cs
1264 CH2CHSCHCH2 Divinyl sulfide   
1265 C3H7NO dimethylformamide 1A'Cs
1266 C4H10O Ethoxy ethane 1A1C2v
1267 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1268 CF2Cl2 difluorodichloromethane 1A1C2v
1269 CF3Br Bromotrifluoromethane 1A1C3v
1270 GeF4 Germanium tetrafluoride 1A1Td
1271 CCl4 Carbon tetrachloride 1A1Td
1272 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
1273 SF4 Sulfur tetrafluoride 1A1C2v
1274 C2HF3+ Trifluoroethylene cation 2A"Cs
1275 CH2ClCCCl 1,3-dichloropropyne   
1276 CHCl2CCH 3,3-dichloropropyne   
1277 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1278 C2H2N2O Furazan   
1279 C6H4 Benzyne 1A1C2v
1280 C6H5- phenyl anion 1A1C2v
1281 C6H6 Benzene 1A1gD6h
1282 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1A'Cs
1283 C2H2N4 sym-tetrazine 1AgD2h
1284 B3N3H6 borazine 1A1'D3h
1285 C2O4-- oxalate anion 1A1D2d
1286 N2O4 Dinitrogen tetroxide 1AgD2d
1287 C3H2O3 vinylene carbonate   
1288 C2H4O4 Formic acid dimer 1AGC2h
1289 C5H6O 2H-Pyran   
1290 C4H6O2 γ–Butyrolactone 1AC1
1291 C3H6O3 1,3,5-Trioxane 1A1C1
1292 C4H8O2 1,3-Dioxane 1A'Cs
1293 C4H8O2 Ethyl acetate 1A'Cs
1294 CF3OF Trifluoromethylhypofluorite 1A'Cs
1295 PF5 Phosphorus pentafluoride 1A1'D3h
1296 SF5 Sulfur pentafluoride 2A1C4v
1297 ClF5 chlorinepentafluoride 1A1C4v
1298 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
1299 C7H7 cycloheptatrienyl radical 2A2C2v
1300 C6H13N cyclohexanamine 1AC1
1301 C5H4O2 4-Cyclopentene-1,3-dione 1A1C2v
1302 C5H4O2 furfural 1A'OCCO cis
1303 C5H4O2 furfural 1A'OCCO trans
1304 C6H12O Oxepane   
1305 SF6 Sulfur Hexafluoride 1A1GOh
1306 C8H8 cubane 1A1GOh
1307 C8H14 Bicyclo[2.2.2]octane 1A1D3
1308 C6H12N2 Triethylenediamine 1A1D3
1309 C6H5CHO benzaldehyde 1A'Cs
1310 C6H12O2 Methyl pivalate 1AC1
1311 C6H12O2 Hexanoic acid 1A1Cs
1312 C6H4F2 orthodifluorobenzene 1A1C2v
1313 C6H4F2 1,4-difluorobenzene 1AgD2h
1314 B12H12-- Dodecahydrododecaborate(2-)   
1315 C13H10 Fluorene   
1316 C24H12 Coronene 1A1GD6h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H3+ hydrogen trimer cation h3+  
4 HeH Helium hydride heh  
5 K Potassium atom k  
6 K- Potassium atom anion k-  
7 K+ Potassium atom cation k+  
8 Cu Copper atom cu  
9 Cu- Copper atom anion cu-  
10 Cu+ Copper atom cation cu+  
11 KH Potassium hydride kh  
12 KH+ Potassium hydrogen cation kh+  
13 CuH Copper monohydride cuh  
14 Ca Calcium atom ca  
15 Ca- Calcium atom anion ca-  
16 Ca+ Calcium atom cation ca+  
17 Zn Zinc atom zn  
18 Zn- Zinc atom anion zn-  
19 Zn+ Zinc atom cation zn+  
20 ZnH Zinc monohydride znh  
21 CaH2 Calcium Hydride cah2  
22 ZnH2 Zinc hydride znh2  
23 ScH+ Scandium monohydride cation sch+  
24 AlH4- Aluminum tetrahydride anion alh4-  
25 Ti Titanium atom ti  
26 Ti- Titanium atom anion ti-  
27 Ti+ Titanium atom cation ti+  
28 Sn Tin atom sn  
29 Sn+ Tin cation sn+  
30 SnH4 Stannane snh4  
31 Sb Antimony atom sb  
32 SbH Antimony monohydride sbh  
33 SbH3 Stibine sbh3  
34 Cr Chromium atom cr  
35 Te Tellurium atom te  
36 Te+ Tellurium atom cation te+  
37 TeH Telluryl radical teh  
38 H2Te Hydrogen Telluride h2te  
39 Mn Manganese atom mn  
40 I Iodine atom iodine  
41 I- Iodine atom anion iodine-  
42 I+ Iodine atom cation iodine+  
43 HI Hydrogen iodide hi  
44 HI+ Hydrogen iodide cation hi+  
45 H2F+ dihydrogen fluoride cation h2f+  
46 H2I+ Iodonium h2i+  
47 Fe Iron atom fe  
48 Xe Xenon atom xe  
49 XeH+ Xenon, protonated xeh+  
50 Co Cobalt atom cobalt  
51 Ni Nickel atom ni  
52 LiK Lithium Potassium lik  
53 NaK Sodium Potassium nak  
54 NaK+ Sodium Potassium diatomic cation nak+  
55 K2 Potassium diatomic k2  
56 Cu2 Copper diatomic cu2  
57 Al2- aluminum diatomic anion al2-  
58 Al2+ aluminum diatomic cation al2+  
59 ZnCH2 Zinc methylene znch2  
60 CuCH3 monomethyl copper cuch3  
61 ZnCH3 Zinc monomethyl znch3  
62 CP+ carbon monophosphide cation cp+  
63 TiN Titanium mononitride tin  
64 SbN Antimony nitride sbn  
65 As2 Arsenic diatomic as2  
66 NNH Dinitrogen monohydride nnh  
67 KO Potassium monoxide ko  
68 KO+ Potassium monoxide cation ko+  
69 CuO Copper Monoxide cuo  
70 CaS Calcium sulfide cas  
71 ZnO zinc monoxide zno  
72 BeS+ Beryllium monosulfide cation bes+  
73 CS+ carbon monosulfide cation cs+  
74 AsO Arsenic monoxide aso  
75 S2- sulfur diatomic anion s2-  
76 SeS Selenium monosulfide ses  
77 TeO Tellurium monoxide teo  
78 Te2 Tellurium diatomic te2  
79 KOH Potassium hydroxide koh  
80 CaOH Calcium monohydroxide caoh  
81 HCS Thioformyl radical hcs  
82 NH3S sulfidoazane nh3s  
83 H3O2+ hydrogen peroxide, protonated h3o2+  
84 CH3SH2+ protonated methylsulfide ch3sh2+  
85 H2ONH3 Water Ammonia Dimer h2onh3  
86 KF Potassium Fluoride kf  
87 KCl Potassium Chloride kcl  
88 CuF Copper monofluoride cuf  
89 LiBr- lithium bromide anion libr-  
90 LiBr+ lithium bromide cation libr+  
91 CuCl Copper monochloride cucl  
92 NaBr- sodium bromide anion nabr-  
93 NaBr+ sodium bromide cation nabr+  
94 KBr Potassium Bromide kbr  
95 LiI Lithium Iodide lii  
96 NaI Sodium Iodide nai  
97 KI Potassium Iodide ki  
98 CaF Calcium monofluoride caf  
99 CaCl calcium monochloride cacl  
100 TiCl Titanium Monochloride ticl  
101 ZnF- Zinc monofluoride anion znf-  
102 ZnF+ Zinc monofluoride cation znf+  
103 ZnCl Zinc monochloride zncl  
104 AlCl- aluminum monochloride anion alcl-  
105 AlCl+ aluminum monochloride cation alcl+  
106 AlI Aluminum monoiodide ali  
107 CF- carbon monofluoride anion cf-  
108 CCl- carbon monochloride anion ccl-  
109 SbF Antimony monofluoride sbf  
110 SbCl Antimony monochloride sbcl  
111 ClO- chlorine monoxide anion clo-  
112 IO Iodine monoxide io  
113 ClF- clorine monofluoride anion clf-  
114 BrF- bromine fluoride anion brf-  
115 BrF+ bromine fluoride cation brf+  
116 BrCl- bromine chloride anion brcl-  
117 BrCl+ bromine chloride cation brcl+  
118 IF Iodine monofluoride if  
119 ICl Iodine monochloride icl  
120 IBr Iodine monobromide ibr  
121 I2 Iodine diatomic i2  
122 I2+ Iodine diatomic cation i2+  
123 HOI Hypoiodous acid hoi  
124 FHF Hydrogen difluoride fhf  
125 H2F2 Hydrogen fluoride dimer h2f2  
126 SiH3Br bromosilane sih3br  
127 CH3I methyl iodide ch3i  
128 SiH3I Silyl Iodide sih3i  
129 C3H3 cyclopropenyl radical cpr  
130 C3H5+ Allyl cation allyl+  
131 Zn(CH3)2 dimethyl zinc dmz  
132 SiH2(CH3)2 dimethylsilane dms  
133 KCN Potassium cyanide kcn  
134 CuCN Copper cyanide cucn  
135 N3- azide anion n3-  
136 HCNN diazomethyl radical hcnn  
137 CH2N2 diazirine ch2n2  
138 CH2NN diazomethane ch2nn  
139 CHNCH2 2H-Azirine c157164  
140 CHNHCH 1H-Azirine chnhch  
141 H2CCNH Ethenimine ch2cnh  
142 H2CNCH methyleneaminomethylene ch2nch  
143 HCCNH2 Ethynamine hccnh2  
144 NCNH3+ Cyanamide, protonated ncnh3+  
145 CH2CHNH vinylazine ch2chnh  
146 CH2CHNH2 aminoethene aminoethene  
147 NH2BHNH2 diaminoborane nh2bhnh2  
148 C2H5NH+ Protonated Aziridine c2h5nh+  
149 NH2CH2NH2 diaminomethane nh2ch2nh2  
150 CH3PHCH3 dimethylphosphine ch3phch3  
151 NH2CH2NH3+ diaminoethane, protonated pdam  
152 (CH3)2NH2+ dimethylammonium cation dmam  
153 CH3CH2NH3+ ethylamine, protonated pea  
154 SCN- thiocyanide anion scn-  
155 PPO Phosphorus oxide phosphide ppo  
156 SiS2 Silicon disulfide sis2  
157 CSe2 Carbon diselenide cse2  
158 SCTe Carbon sulfide Telluride scte  
159 AsO2 Aresenic dioxide aso2  
160 S3- Sulfur trimer anion s3-  
161 TeO2 Tellurium Dioxide teo2  
162 CS2H+ Carbon disulfide, protonated cs2h+  
163 HNCS Isothiocyanic acid hncs  
164 HSCN thiocyanic acid hscn  
165 HCO2- formate anion hco2-  
166 HNNO nitrosoazane hnno  
167 HNNO+ Nitrous oxide, N-protonated hnno+  
168 NNOH+ Nitrous Oxide, O-protonated nnoh+  
169 SO2H+ protonated sulfur dioxide so2h+  
170 HSSSH trisulfane hsssh  
171 NaOCH3 Sodium methoxide naoch3  
172 CH2CHO Vinyloxy radical ch2cho  
173 CH3CO- Acetyl anion ch3co-  
174 CHSNH2 thioformamide chsnh2  
175 CH2OOH CH2OOH radical ch2ooh  
176 NH3CHO+ Formamide, N-Protonated nh3cho+  
177 CH2(OH)2 methanediol ch2o2h2  
178 H2OH2CO water formaldehyde dimer h2oh2co  
179 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
180 CH3CHOH+ acetaldehyde, protonated ch3choh+  
181 CH3OCH2 methoxymethyl radical ch3och2  
182 NH2CH2OH aminomethanol nh2ch2oh  
183 CH3SeCH3 dimethylselenide dmse  
184 CH3OHH2O methanol water dimer ch3ohh2o  
185 H2OCH3OH water methanol dimer h2och3oh  
186 CuF2 Copper difluoride cuf2  
187 ZnF2 Zinc difluoride znf2  
188 ICN Cyanogen iodide icn  
189 CaCl2 Calcium Chloride cacl2  
190 ZnCl2 Zinc dichloride zncl2  
191 CaBr2 Calcium dibromide cabr2  
192 CaF2 Calcium difluoride caf2  
193 INO Nitrosyl iodide ino  
194 SiF2+ Silicon difluoride cation sif2+  
195 CBr2 dibromomethylene cbr2  
196 Cl3- trichloride anion cl3-  
197 I3- triiodide i3-  
198 HCCCl Chloroacetylene hcccl  
199 HCCBr bromoacetylene hccbr  
200 HFCO formyl fluoride hfco  
201 CHCl2 dichloromethyl radical chcl2  
202 CHBr2 dibromomethyl radical chbr2  
203 CH2BrF Methane, bromofluoro- ch2fbr  
204 CH2FI fluoroiodomethane ch2fi  
205 CH2ClI chloroiodomethane ch2cli  
206 CH2BrI bromoiodomethane ch2bri  
207 CH2I2 Diiodomethane ch2i2  
208 CH2CHF+ fluoroethene cation ch2chf+  
209 C2H3I Vinyl iodide c2h3i  
210 CH3OCl methyl hypochlorite ch3ocl  
211 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
212 CHClCH3 1-chloroethyl radical chclch3  
213 CH3SiFH2 fluoromethylsilane ch3sifh2  
214 C2H5I Ethyl iodide c2h5i  
215 XeF2 Xenon difluoride xef2  
216 C4H2 Diacetylene c4h2  
217 C2H3CCH 1-Buten-3-yne c2h3cch  
218 H2CCCCH2 Butatriene h2cccch2  
219 C4H6 Cyclobutene c822355  
220 C4H6 Methylenecyclopropane c6142730  
221 CH2CCHCH3 1,2-Butadiene butad12  
222 CH2CHCHCH2 1,3-Butadiene c106990  
223 CH3CCCH3 2-Butyne c503173  
224 CHCCH2CH3 1-Butyne c107006  
225 CH3CHCHCH2 methylallyl radical c4h7  
226 C4H8 methylcyclopropane mcp  
227 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
228 CH3CHCHCH3 2-Butene, (E)- bute2e  
229 CH3CHCHCH3 2-Butene, (Z)- bute2z  
230 B(CH3)3 trimethylborane bme3  
231 Al(CH3)3 trimethyl aluminum tma  
232 C(CH3)3 Tert-butyl radical tbutyl  
233 CH2CH(CH3)2 Isobutyl radical isobutyl  
234 CH3CHCH2CH3 2-Butyl radical butyl2  
235 CH3CH(CH3)CH3 Isobutane isobutane  
236 SiH(CH3)3 trimethylsilane trimsi  
237 C2N2+ Cyanogen cation c2n2+  
238 HCCCN Cyanoacetylene hcccn  
239 C3H3N acrylonitrile ch2chcn  
240 CH3N3 methyl azide ch3n3  
241 NH2CCNH2 Diaminoacetylene daa  
242 NH2CH2CN Aminoacetonitrile aan  
243 CH3NHN2+ methyl azide, protonated ch3nhn2+  
244 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
245 H2NCHCHNH2 diaminoethylene dae  
246 CH6N3+ guanidinium ch6n3+  
247 C3H7N Cyclopropylamine cpram  
248 C3H7N Azetidine azet  
249 C4H8 cyclobutane cbutane  
250 C2H8N2 Ethylenediamine ethdiam  
251 CH3CH(NH2)CH3 2-Propanamine pram2  
252 N(CH3)3 Trimethylamine trimeam  
253 NH2CH2CH2CH3 1-Propanamine pram1  
254 P(CH3)3 trimethylphosphine tmp  
255 (CH3)3NH+ protonated trimethyl amine ptma  
256 C3H7NH3+ n-propylamine, protonated c3h7nh2  
257 Li2O2 dilithium dioxide li2o2  
258 K2O2 dipotassium dioxide k2o2  
259 B2O2 Diboron dioxide b2o2  
260 CO3 Carbon trioxide co3  
261 CO3-- carbonate co3--  
262 CS3-- Carbonotrithioate cs3--  
263 NO3 Nitrogen trioxide no3  
264 SeO3 selenium trioxide seo3  
265 TeO3 Tellurium trioxide teo3  
266 HCO3- bicarbonate anion hco3-  
267 HSO3 Hydroxysulfonyl radical hso3  
268 NH2NO2 nitramide nh2no2  
269 C2H2CO cyclopropenone c2h2co  
270 HCCCHO 2-propynal hcccho  
271 C2H2O2+ Ethanedial cation c2h2o2+  
272 H2CO3 Carbonic acid h2co3  
273 H2CS3 thiocarbonic acid h2cs3  
274 H2NO3+ Nitric Acid, Protonated h2no3+  
275 H2SO3 Sulfurous acid h2so3  
276 HOCH2CN cyanomethanol hoch2cn  
277 CH3COO- acetate anion ch3coo-  
278 CH3ONO Methyl nitrite ch3ono  
279 NH2COOH Carbamic acid nh2cooh  
280 H3CO3+ carbonic acid, protonated h3co3+  
281 C3H4O 2-Propyn-1-ol c107197  
282 C3H4O allenol c9000071  
283 C3H4O Cyclopropanone cpone  
284 C3H4O Methylketene c6004440  
285 NH2CONH2+ Urea cation urea+  
286 NH2CSNH2 Thiourea thiourea  
287 C2H4O2 1,3-dioxetane c2h4o2  
288 CH3COOH Acetic acid ch3cooh  
289 CH3OCHO methyl formate ch3ocho  
290 CHOCH2OH hydroxy acetaldehyde haa  
291 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
292 NH3COOH+ protonated Carbamic acid nh3cooh+  
293 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
294 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
295 HCOOHH2O Formic acid water dimer hcoohh2o  
296 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
297 CH2C(OH)NH2 1-amino vinyl alchohol ava  
298 CH3C(OH)=NH Ethaninidic acid eia  
299 CH3CHNOH Acetaldoxime acetaldoxime  
300 CH3CONH2 Acetamide acetamide  
301 HCONHCH3 N-methylformamide nmfa  
302 CH3CSNH2 Ethanethioamide ch3csnh2  
303 CH5N2O+ urea, N-protonated ch4n2o+  
304 H2NCOHNH2+ urea, protonated ureah+  
305 C2H5OO ethylperoxy radical c2h5oo  
306 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
307 C3H5OH Cyclopropanol cproh  
308 C3H6O 2-Propen-1-ol c107186  
309 C3H6O Acetone enol enol  
310 C3H6O Oxetane oxetane  
311 C3H6O Propylene oxide prox  
312 CH3COCH3- acetone anion ch3coch3-  
313 C3H6S Thietane thietane  
314 C3H6S Thiirane, methyl- methiirane  
315 CH3CSCH3 Thioacetone ch3csch3  
316 C2H6O2 1,2-Ethanediol ethdiol  
317 CH3OOCH3 dimethylperoxide dmp  
318 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
319 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
320 CH3COHCH3+ acetone, protonated acetoneh+  
321 HOCH2CH2NH2 monoethanolamine mea  
322 CH3CHOHCH3 Isopropyl alcohol isoproh  
323 CH3OC2H5 Ethane, methoxy- etome  
324 C3H7SH 1-Propanethiol prsh  
325 CH3CHSHCH3 2-Propanethiol isoprsh  
326 CH3SCH2CH3 Ethane, (methylthio)- etsme  
327 H2OCH3OCH3 water dimethylether dimer h2och3och3  
328 Na2F2 Sodium Fluoride Dimer na2f2  
329 Na2Cl2 Disodium dichloride na2cl2  
330 C2F2 difluoroacetylene c2f2  
331 C2Cl2 dichloroacetylene c2cl2  
332 FNO2 Nitryl fluoride fno2  
333 FONO Nitrosyl hypofluorite fono  
334 ClNO2 Nitryl chloride clno2  
335 ClONO chlorine nitrite clono  
336 N2F2 (Z)-Difluorodiazene n2f2_z  
337 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
338 CCl2O Phosgene cl2co  
339 BClF2 Chlorodifluoroborane bclf2  
340 AlF2Cl Aluminum chloride difluoride alclf2  
341 ScF3 Scandium trifluoride ScF3  
342 AlFCl2 Aluminum dichloride fluoride alcl2f  
343 AlCl3 Aluminum trichloride alcl3  
344 BBr3 Boron tribromide bbr3  
345 AlBr3 Aluminum Bromide albr3  
346 ClO3 Chlorine trioxide clo3  
347 ClO3- chlorate anion clo3-  
348 BrO3- Bromate anion bro3-  
349 CF3 Trifluoromethyl radical cf3  
350 SiF3 Silicon trifluoride radical sif3  
351 CCl3 Trichloromethyl radical ccl3  
352 CBr3 tribromomethyl radical cbr3  
353 F2SO Thionyl Fluoride f2so  
354 SOCl2 thionyl chloride socl2  
355 SeOCl2 selenium oxychloride seocl2  
356 PF3 Phosphorus trifluoride pf3  
357 AsF3 Arsenic trifluoride asf3  
358 PCl3 Phosphorus trichloride pcl3  
359 SbF3 Antimony Trifluoride sbf3  
360 AsCl3 Arsenous trichloride ascl3  
361 SbCl3 Antimony Trichloride sbcl3  
362 AsBr3 Arsenic tribromide asbr3  
363 NI3 Nitrogen triiodide ni3  
364 PI3 Phosphorus triiodide pi3  
365 ClSSCl Disulfur dichloride s2cl2  
366 ClF3 Chlorine trifluoride clf3  
367 BrF3 Bromine trifluoride brf3  
368 IF3 iodone trifluoride if3  
369 CHF2Cl difluorochloromethane chf2cl  
370 CHFCl2 fluorodichloromethane chfcl2  
371 CDCl3 trichloromethane-d cdcl3  
372 SiHCl3 Trichlorosilane sihcl3  
373 CHF2I difluoroiodomethane chf2i  
374 CHBr2F dibromofluoromethane chbr2f  
375 CHFClI fluorochloroiodomethane chfcli  
376 CHCl2I dichloroiodomethane chcl2i  
377 CHBr3 bromoform chbr3  
378 CHI3 Iodoform chi3  
379 NF3H+ protonated nitrogen trifluoride nf3h+  
380 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
381 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
382 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
383 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
384 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
385 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
386 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
387 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
388 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
389 C2H2Br2 1,1-dibromoethene c2h2br2  
390 CH2FCHO Fluoroacetaldehyde ch2fcho  
391 CH3COF Acetyl fluoride ch3cof  
392 CH2ClCHO chloroacetaldehyde ch2clcho  
393 CH3COCl Acetyl Chloride ch3cocl  
394 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
395 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
396 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
397 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
398 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
399 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
400 CH2CFCH3 2-fluoropropene 2fpro  
401 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
402 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
403 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
404 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
405 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
406 CH2FCH2CH3 1-Fluoropropane prf1  
407 CH3CH2CH2Br n-propyl bromide prbr  
408 CH3CHBrCH3 i-propyl bromide iprbr  
409 C3H9O+ trimethyl oxonium cation c3h9o+  
410 C5H5 cyclopentadienyl radical c5h5  
411 C5H5- cylopentadienyl anion c5h5-  
412 C5H6 1,3-Cyclopentadiene c542927  
413 C5H6 1-Buten-3-yne, 2-methyl- c78808  
414 C5H6 3-Penten-1-yne, (E)- c2004695  
415 C5H6 3-Penten-1-yne, (Z)- c1574409  
416 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
417 C5H6 Cyclopropylacetylene c6746947  
418 C5H6 Propellane propellane  
419 C5H7 1,3-pentadienyl radical pdyl  
420 C5H7 cyclopentenyl radical cpyl  
421 C5H8 1,2-Butadiene, 3-methyl- c598254  
422 C5H8 1,2-Pentadiene c591957  
423 C5H8 1,3-Butadiene, 2-methyl- c78795  
424 C5H8 1,3-Pentadiene, (E)- c2004708  
425 C5H8 1,3-Pentadiene, (Z)- c1574410  
426 C5H8 1,4-Pentadiene c591935  
427 C5H8 1-pentyne a1pentyne  
428 C5H8 2,3-Pentadiene c591968  
429 C5H8 Cyclobutane, methylene- c1120565  
430 C5H8 Cyclopentene c142290  
431 C5H8 Ethenylcyclopropane c693867  
432 CH3CCCH2CH3 2-Pentyne 2pentyne  
433 C5H10 1-Butene, 2-methyl- c563462  
434 C5H10 2-Butene, 2-methyl- c513359  
435 C5H10 2-Pentene, (E)- c646048  
436 C5H10 2-Pentene, (Z)- c627203  
437 C5H10 Cyclopentane c287923  
438 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
439 CH2CHCH2CH2CH3 1-pentene pentene  
440 C5H11 2-Methylbut-2-yl radical c4348350  
441 C5H12 Butane, 2-methyl- buta2  
442 C5H12 Pentane pentane  
443 C5H12 Propane, 2,2-dimethyl- neopentane  
444 Si(CH3)4 tetramethylsilane tms  
445 N2O3 Dinitrogen trioxide n2o3  
446 C3H2N2 Malononitrile c3h2n2  
447 CH2N4 1H-Tetrazole 1htz  
448 C3H3N2 imidazolyl radical im  
449 C3H3N2- imidizolyl anion im-  
450 C2H3N3 1H-1,2,4-Triazole c288880  
451 C4H4N pyrrolide radical c4h4n  
452 C4H4N- pyrrolide anion c4h4n-  
453 C3H4N2 1H-Imidazole 1himidaz  
454 C3H4N2 1H-Pyrazole 1hpyraz  
455 C3H4N2 2H-Imidazole imid2h  
456 C4H5N (E)-2-Butenenitrile c627269  
457 C4H5N (Z)-2-Butenenitrile c1190767  
458 C4H5N 2H-pyrrole pyrrole2  
459 C4H5N 3H-pyrrole pyrrole3  
460 C4H5N Cyclopropanecarbonitrile c5500210  
461 C4H5N Pyrrole pyrrole  
462 CH2CHCH2CN Allylcyanide ch2chch2cn  
463 C4H6N+ pyrrole, alpha-protonated appyr  
464 C4H6N+ pyrrole, beta-protonated bppyr  
465 C4H6N+ pyrrole, protonated ppyr  
466 C3H6N2 3-Aminopropionitrile c151188  
467 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
468 CH3CH2CH2CN Butanenitrile c109740  
469 C5H8 Bicyclo[2.1.0]pentane c185944  
470 C5H8 Spiropentane c157404  
471 C4H9N Cyclobutylamine cbam  
472 C4H9N Pyrrolidine pyrrolidine  
473 C3H10N2 1,2-Diaminopropane diampr12  
474 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
475 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
476 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
477 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
478 NH(C2H5)2 diethylamine dea  
479 NC4H12+ tetramethyl ammonium cation nc4h12+  
480 MgCO3 Magnesium Carbonate mgco3  
481 BeCO3 Beryllium Carbonate beco3  
482 CaCO3 Calcium Carbonate caco3  
483 ONONO Nitrosyl nitrite onono  
484 PO4--- phosphate po4---  
485 SO4-- sulfate so4--  
486 HOONO2 peroxy nitric acid hoono2  
487 HSO4- bisulfate anion hso4-  
488 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
489 CHOCOOH oxo acetic acid oaa  
490 CHOOCHO diformyl ether choocho  
491 H2SO4 Sulfuric acid h2so4  
492 H2SeO4 Selenic acid h2seo4  
493 C3H3NO Oxazole oxazole  
494 C3H3NS Thiazole thiazole  
495 CH3C(O)OO acetyl peroxy radical ch3coo2  
496 CH3NO3 Methyl nitrate ch3no3  
497 H3PO4 Phosphoric Acid h3po4  
498 C4H4O+ Furan cation furan+  
499 CH3COCCH 3-butyn-2-one c1423605  
500 C4H4S Thiophene furans  
501 C4H4Se selenophene c4h4se  
502 C3H4O2 β–Propiolactone beta  
503 C3H4O2 2-Propenoic acid propenoic2  
504 C3H4O2 Methyl glyoxal megly  
505 C3H4O2 propanedial propanedial  
506 C3H4O2 propenalol propenalol  
507 HOCHCCHOH allenediol aldiol  
508 C2H4O3 trioxolane124 triox  
509 HOCH2COOH Hydroxyacetic acid hac  
510 CH2CHCONH2 Acrylamide c79061  
511 CH3OCH2CN Methoxyacetonitrile c1738369  
512 CH5N3S Hydrazinecarbothioamide c79196  
513 H2NCH2COOH Glycine glycine  
514 CH3SO2NH2 methanesulfonamide ch3so2nh2  
515 C4H6O cis-2-butenal butenal2c  
516 C4H6O Cyclobutanone cbutone  
517 C4H6O Furan, 2,3-dihydro- furan23h  
518 C4H6O Furan, 2,5-dihydro- furan25h  
519 CH2CHOCHCH2 Vinyl ether vinylether  
520 CHOCHCHCH3 2-Butenal butenal2  
521 C4H6S Thiophene, 2,3-dihydro- thiop23h  
522 C4H6S Thiophene, 2,5-dihydro- thiop25h  
523 C2H6N2O Urea, methyl- c598505  
524 C3H6O2 1,3-Dioxolane dioxolane  
525 CH3CH2COOH Propanoic Acid propanoic  
526 CH3COOCH3 methyl acetate aame  
527 HCOOC2H5 Ethyl formate faee  
528 C2H6O2S Dimethyl sulfone c67710  
529 CH3SSSCH3 dimethyl trisulfide c2h6s3  
530 C3H7NO Propanamide propanam  
531 C2H3OC2H5 Ethene, ethoxy- c109922  
532 C4H8O Cyclobutanol c2919235  
533 C4H8O Furan, tetrahydro- thf  
534 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
535 CH3COCH2CH3 2-Butanone buta2one  
536 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
537 CHOCH2CH2CH3 Butanal butanal  
538 C4H8S Thiophene, tetrahydro- tht  
539 C3H8O2 1,3-Propanediol c504632  
540 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
541 C3H8O2 Methane, dimethoxy- c109875  
542 C3H8O2 Propylene glycol c57556  
543 C3H8S2 1,3-Propanedithiol c109808  
544 C4H10O 1-Butanol butanol1  
545 C4H10O 1-Propanol, 2-methyl- c78831  
546 C4H10O 2-Butanol, (.+/-.)- butanol2  
547 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
548 C4H10O Methyl propyl ether meopr  
549 C4H10O Propane, 2-methoxy- c598538  
550 C4H10O+ 1-Butanol cation butanol1+  
551 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
552 C2H5SC2H5 Diethyl sulfide etset  
553 C4H9SH 1-Butanethiol bush  
554 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
555 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
556 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
557 FNO3 Fluorine nitrate fno3  
558 ClONO2 Chlorine nitrate clono2  
559 BrONO2 Bromine nitrate brono2  
560 TiCl4 Titanium tetrachloride ticl4  
561 ClO4- perchlorate anion clo4-  
562 BF4- tetrafluoroboron anion bf4-  
563 ClFO3 Perchloryl fluoride clfo3  
564 SO2F2 Sulfuryl fluoride so2f2  
565 SO2Cl2 Sulfuryl chloride so2cl2  
566 F3NO Nitrogen trifluoride oxide f3no  
567 F3PO Phosphoryl fluoride pf3o  
568 Cl3PO Phosphoryl chloride pcl3o  
569 CF4 Carbon tetrafluoride cf4  
570 SiF4 Silicon tetrafluoride sif4  
571 TiF4 Titanium tetrafluoride tif4  
572 CFCl3 Trichloromonofluoromethane cfcl3  
573 CCl4+ Carbon tetrachloride cation ccl4+  
574 SiCl4 Silane, tetrachloro- sicl4  
575 CBrCl2F bromodichlorofluoromethane cbrcl2f  
576 CF3I trifluoroiodomethane cf3i  
577 CBrCl3 Methane, bromotrichloro- cbrcl3  
578 CBr2F2 Methane, dibromodifluoro- cbr2f2  
579 GeCl4 Germanium Tetrachloride gecl4  
580 CBr2ClF dibromochlorofluoromethane cbr2clf  
581 CBr2Cl2 dibromodichloromethane cbr2cl2  
582 CCl3I trichloroiodomethane ccl3i  
583 CFBr3 fluorotribromomethane cfbr3  
584 CFClBrI fluorochlorobromoiodomethane cfclbri  
585 CBr3Cl tribromochloromethane cbr3cl  
586 CF2I2 difluorodiiodomethane cf2i2  
587 CBr4 Carbon tetrabromide cbr4  
588 CCl2I2 dichlorodiiodomethane ccl2i2  
589 SiBr4 Silicon tetrabromide sibr4  
590 CBr3I tribromoiododmethane cbr3i  
591 GeBr4 Germanium tetrabromide gebr4  
592 CI4 tetraiodomethane ci4  
593 SiI4 silicon tetraiodide sii4  
594 ClOF3 Chlorine trifluoride oxide clof3  
595 SeF4 Selenium tetrafluoride sef4  
596 SCl4 Sulfur tetrachloride scl4  
597 C2HF3 Trifluoroethylene c2hf3  
598 CHClCCl2 Trichloroethylene chclccl2  
599 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
600 HClO4 perchloric acid hclo4  
601 HSO3F Fluorosulfonic acid hso3f  
602 CF3OH trifluoromethanol cf3oh  
603 CHClCCHCl 1,3-dichloroallene chclcchcl  
604 CHCl2CHO dichloroacetaldehyde chcl2cho  
605 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
606 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
607 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
608 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
609 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
610 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
611 SiCl3CH3 methyltrichlorosilane sicl3ch3  
612 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
613 NH3BCl3 Amminetrichloroboron nh3bcl3  
614 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
615 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
616 C3H5ClO Oxirane, (chloromethyl)- c106898  
617 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
618 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
619 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
620 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
621 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
622 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
623 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
624 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
625 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
626 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
627 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
628 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
629 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
630 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
631 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
632 C4H9F 1-fluorobutane butaf1  
633 CH3CHFCH2CH3 2-fluorobutane butaf2  
634 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
635 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
636 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
637 XeF4 Xenon tetrafluoride xef4  
638 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
639 NH3BF3 Amminetrifluoroboron nh3bf3  
640 C6H2 hexatriyne c6h2  
641 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
642 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
643 C6H5 phenyl phenyl  
644 C6H6 Prismane prismane  
645 C6H6 1,2,4,5-Hexatetraene ht1245  
646 C6H6 2,4-Hexadiyne hexadiyne  
647 C6H6 3,4-Dimethylenecyclobutene cb34m  
648 C6H6 Benzvalene bv  
649 C6H6 Dewar Benzene dewar  
650 C6H6 Hexa-1,5-diene-3-yne hdy153  
651 C6H6 Trimethylenecycopropane tmcp  
652 C6H6+ Benzene cation c6h6+  
653 C6H7+ benzene, protonated c6h7+  
654 C6H8 (E)-hexa-1,3,5-triene c821078  
655 C6H8 (E)-hexa-2,3,4-triene c59660650  
656 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
657 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
658 C6H8 1,3-Cyclohexadiene cyhexadiene13  
659 C6H8 1,4-Cyclohexadiene cyhexadiene14  
660 C6H8 3-Methylenecyclopentene c930267  
661 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
662 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
663 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
664 C6H10 1,3-Hexadiene, (E)- hexdi13e  
665 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
666 C6H10 1,4-Hexadiene, (E)- hexdi14t  
667 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
668 C6H10 1,5-Hexadiene c592427  
669 C6H10 1-Butyne, 3,3-dimethyl- c917920  
670 C6H10 1-Hexyne hexyne1  
671 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
672 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
673 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
674 C6H10 2-Hexyne c764352  
675 C6H10 3-Hexyne hexyne3  
676 C6H10 cyclohexene cyclohexene  
677 C6H10 Cyclopentene, 1-methyl- c693890  
678 C6H10 Cyclopentene, 3-methyl- c1120623  
679 C6H10 Cyclopentene, 4-methyl- c1759815  
680 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
681 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
682 C6H12 (E)-2-Hexene e2hexene  
683 C6H12 (E)-3-methylpent-2-ene c616126  
684 C6H12 (E)-hex-3-ene e3hexene  
685 C6H12 (Z)-3-methylpent-2-ene c922623  
686 C6H12 (Z)-hex-2-ene z2hexene  
687 C6H12 (Z)-hex-3-ene z3hexene  
688 C6H12 2,3-dimethylbut-1-ene c563780  
689 C6H12 2,3-dimethyl-but-2-ene tmeet  
690 C6H12 3-methylenepentane c760214  
691 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
692 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
693 C6H12 Cyclohexane cyclohexane  
694 C6H12 Cyclopentane, methyl- c96377  
695 C6H12 Ethylcyclobutane c4806615  
696 C6H12 hex-1-ene hexene1  
697 C6H14 Butane, 2,2-dimethyl- buta22  
698 C6H14 Butane, 2,3-dimethyl- buta23  
699 C6H14 Hexane hexane  
700 C6H14 Pentane, 2-methyl- penta2  
701 C6H14 Pentane, 3-methyl- penta3  
702 C4N2 2-Butynedinitrile c4n2  
703 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
704 C4H2N2 Fumaronitrile c4h2n2  
705 C3H3N3 1,3,5-Triazine triazine135  
706 CH3N5 5-Aminotetrazole c4418615  
707 C4H4N2 1,3-Diazine diazine13  
708 C4H4N2 Pyrazine pyrazine  
709 C4H4N2 Pyridazine pyridazine  
710 C4H4N2 Succinonitrile c110612  
711 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
712 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
713 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
714 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
715 C5H5N E-2,4-pentadienenitrile bdcn  
716 C5H5N Pyridine pyridine  
717 C6H6 Fulvene fulvene  
718 C5H6N+ Pyridinium c5h6n  
719 C4H6N2 1H-Imidazole, 2-methyl- c693981  
720 C5H7N (E)-2-Pentenenitrile c26294984  
721 C5H7N (E)-3-Pentenenitrile c16529661  
722 C5H7N (Z)-2-Pentenenitrile c25899507  
723 C5H7N 1H-Pyrrole, 1-methyl- c96548  
724 C5H7N Cyclobutanecarbonitrile c4426113  
725 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
726 C5H9N Butanenitrile, 2-methyl- c18936179  
727 C5H9N Pentanenitrile c110598  
728 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
729 C6H10 Bicyclo[3.1.0]hexane c285585  
730 C5H11N Cyclopentanamine cypentam  
731 C5H11N Piperidine piper  
732 C4H12N2 1,2-Butanediamine c4426486  
733 C4H12N2 2-Methyl-1,2-propanediamine c811938  
734 Li2CO3 Lithium Carbonate li2co3  
735 Na2CO3 Sodium Carbonate na2co3  
736 MgSO4 Magnesium Sulfate mgso4  
737 C2H2O4 Oxalic Acid oxalic  
738 C2H3NO3 Oxamic acid oxamic  
739 C4H4O2 2(5H)-Furanone furanone  
740 C4H4O2 2-Oxetanone, 4-methylene- c674828  
741 C2H4N2O2 Oxalamide oxalamide  
742 C2H4N2S2 Ethanedithioamide c79403  
743 C2H4CO3 Ethylene carbonate etco3  
744 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
745 C3H4S3 1,3-Dithiolane-2-thione c822388  
746 C4H5NO 3-Methylisoxazole isox3m  
747 C4H5NO Isoxazole, 5-methyl- c5765446  
748 C4H5NS 4-Methylthiazole c693958  
749 C2H5NO3 Nitric acid, ethyl ester c625581  
750 C5H6O 2-methylfuran furan2m  
751 C5H6O 3-Methylfuran furan3m  
752 C5H6O Pentadienal pdal  
753 C5H6S Thiophene, 2-methyl- c554143  
754 C5H6S Thiophene, 3-methyl- c616444  
755 C4H6O2 2,3-Butanedione c431038  
756 C4H6O2 2-Propenoic acid, methyl ester c96333  
757 C4H6O2 Crotonic Acid crot  
758 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
759 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
760 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
761 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
762 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
763 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
764 C4H6OS Vinyl sulfoxide c1115157  
765 CH6N4S Carbonothioic dihydrazide thiacarb  
766 C2H6N2O2 (E)-Azodioxymethane c37765154  
767 C2H6N2O2 Dimethylnitroamine c4164287  
768 C3H6S3 1,3,5-Trithiane c3h6s3  
769 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
770 C2H6O3S Sulfurous acid, dimethyl ester c616422  
771 C4H7NO 2-Pyrrolidinone c616455  
772 C4H7NO Ethoxyacetonitrile etoaccn  
773 C4H7NO Methacrylamide c79390  
774 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
775 HCONH2CN2H4 formamide aminomethanimine dimer d13  
776 C3H7ONO Propyl nitrite prono  
777 CH3CH(CH3)ONO Isopropyl nitrite c541424  
778 CH3CH(NH2)COOH Alanine alanine  
779 CH3NHCH2COOH Sarcosine sarcosine  
780 NH2CH2CH2COOH β–alanine betaalanine  
781 NH2COOC2H5 Urethane urethane  
782 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
783 C5H8O Cyclopentanone c120923  
784 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
785 C5H8O Methyl cyclopropyl ketone c765435  
786 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
787 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
788 NH2CONHC2H5 Urea, ethyl- c625525  
789 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
790 C4H8O2 1,4-Dioxane dioxan14  
791 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
792 C4H8OS s-Ethyl thioacetate c625605  
793 C3H8O3 1,2,3-Propanetriol glycerin  
794 C3H8O2S (Methylsulfonyl)ethane c594434  
795 C4H9NO Butanamide c541355  
796 C4H9NO Propanamide, 2-methyl- c563837  
797 C5H10O 2-Butanone, 3-methyl- c563804  
798 C5H10O 2H-Pyran, tetrahydro- c142687  
799 C5H10O 2-methylbutyraldehyde 2meba  
800 C5H10O 2-Pentanone mpk  
801 C5H10O 3-Pentanone dek  
802 C5H10O Cyclopentanol c96413  
803 C5H10O Oxetane, 3,3-dimethyl- c6921353  
804 C5H10O Pentanal pal  
805 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
806 C5H10S 3-Ethylthio-1-propene c5296628  
807 C5H10S Cyclopentanethiol c1679078  
808 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
809 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
810 C4H10O2 1,1-Dimethoxyethane c534156  
811 C4H10O2 1,3-Butanediol budiol13  
812 C4H10O2 1,4-Butanediol budiol14  
813 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
814 C4H10OS Diethyl sulfoxide c70291  
815 C4H10S2 1,4-Butanedithiol budisl14  
816 C4H11NO Diethylhydroxylamine c3710847  
817 C5H12O 1-Butanol, 2-methyl- c137326  
818 C5H12O 1-Butanol, 3-methyl- c123513  
819 C5H12O 1-Pentanol pentanol1  
820 C5H12O 2-Butanol, 3-methyl- c598754  
821 C5H12O 2-Pentanol peol2  
822 C5H12O 3-Pentanol pentan3ol  
823 C5H12O Butane, 1-methoxy- meobu  
824 C5H12O Propane, 1-ethoxy- proet  
825 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
826 C5H12S 1-Butanethiol, 2-methyl- c1878188  
827 C5H12S 1-Butanethiol, 3-methyl- c541311  
828 C5H12S 1-Pentanethiol c110667  
829 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
830 C5H12S 2-Butanethiol, 2-methyl- c1679090  
831 C5H12S 2-Butanethiol, 3-methyl- c2084186  
832 C5H12S Butane, 1-(methylthio)- c628295  
833 C5H12S Ethyl propyl sulfide c4110503  
834 C5H12S Propane, 2-(ethylthio)- c5145993  
835 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
836 C4F2 difluorobutadiyne c4f2  
837 ClCOClCO Oxalyl chloride oxcl  
838 CF3CN Acetonitrile, trifluoro- cf3cn  
839 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
840 B2F4 Diboron tetrafluoride b2f4  
841 B2Cl4 Diboron tetrachloride b2cl4  
842 C2F4 Tetrafluoroethylene c2f4  
843 C2F4+ Tetrafluoroethylene cation c2f4+  
844 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
845 CF2CCl2 difluorodichloroethylene cf2ccl2  
846 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
847 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
848 C2FCl3 fluorotrichloroethene c2fcl3  
849 C2Cl4 Tetrachloroethylene c2cl4  
850 C2Br4 tetrabromoethene c2br4  
851 SiF5- silicon pentafluoride anion sif5-  
852 SOF4 Sulfur tetrafluoride oxide sof4  
853 AsF5 Arsenic pentafluoride asf5  
854 PCl5 Phosphorus pentachloride pcl5  
855 SF5+ pentafluoro sulfur cation sf5+  
856 SbCl5 Antimony pentachloride sbcl5  
857 BrF5 bromine pentafluoride brf5  
858 IF5 pentafluoroiodine if5  
859 CF3CHO trifluoroacetaldehyde cf3cho  
860 CCl3CHO trichloroacetaldehyde ccl3cho  
861 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
862 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
863 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
864 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
865 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
866 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
867 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
868 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
869 CF3COOH trifluoroacetic acid cf3cooh  
870 C4H3ClO Furan, 2-chloro fur2cl  
871 C4H3ClO Furan,3-chloro fur3cl  
872 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
873 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
874 C4H8Cl2 1,4-Dichlorobutane c110565  
875 C4H8Cl2 Butane, 1,2-dichloro- c616217  
876 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
877 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
878 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
879 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
880 C5H11Cl Pentane, 1-chloro- pencl1  
881 C4H8O2 Butanoic acid bua  
882 C6H5CH2 benzyl radical benzyl  
883 C7H7+ cycloheptatrienyl cation c7h7+  
884 C6H5CH3 toluene toluene  
885 C7H8 cycloheptatriene cht  
886 C7H8 Norbornadiene norbor  
887 C7H8 Quadricyclane qucy  
888 C7H12 Norbornane nor  
889 C7H14 cycloheptane c7h14  
890 C7H16 2-methylhexane 2mhex  
891 C7H16 3-methylhexane hex3m  
892 C7H16 heptane heptane  
893 CH(CN)3 tricyanomethane mecn3  
894 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
895 C6H7N 2-Methylpyridine mp  
896 C6H5NH2 aniline aniline  
897 C6H15N triethylamine tea  
898 N2O5 Dinitrogen pentoxide n2o5  
899 C4H2O3 Maleic Anhydride malan  
900 C6H5O phenoxy radical phenoxy  
901 C5H5NO 2(1H)-Pyridinone c72762006  
902 C5H5NO 2(3H)-Pyridinone c9000048  
903 C5H5NO 2(5H)-Pyridinone c9000037  
904 C5H5NO 2-Pyridinol c109104  
905 C5H5NO 3(2H)-Pyridinone c9000004  
906 C5H5NO 3(4H)-Pyridinone c9000026  
907 C5H5NO 3(6H)-Pyridinone c9000015  
908 C5H5NO 3-Pyridinol c109002  
909 C5H5NO 4(1H)-Pryidinone c9000060  
910 C5H5NO 4(3H)-Pryidinone c9000059  
911 C5H5NO 4-Pyridinol c626642  
912 C6H5OH phenol phenol  
913 C6H6O 2,4-Cyclohexadienone c24599573  
914 C6H6O 2,5-Cyclohexadienone c5664335  
915 C6H5SH Benzenethiol phsh  
916 HO2CCHNH2CH2OH Serine serine  
917 C5H8O2 Acetylacetone acac  
918 C4H8O2S Sulfolane sulfolane  
919 C7H10 Norbornene norbornene  
920 CH(C2H3)3 trivinyl methane tvm  
921 C6H10O cyclohexanone chexo  
922 C6H12O hexanal c6h12o  
923 C3H7OC3H7 di-n-propyl ether propr  
924 F2CCCF2 tetrafluoroallene pfa  
925 CF3COO- trifluoro acetate anion cf3coo-  
926 CF3COF trifluoroacetyl fluoride cf3cof  
927 CF3COCl trifluoroacetyl chloride cf3cocl  
928 PF6 Hexafluorophosphate neutral pf6  
929 PF6- Hexafluorophosphate ion pf6-  
930 SeF6 Selenium hexafluoride sef6  
931 SF5Cl sulfur chloropentafluoride sf5cl  
932 CF3CHF2 pentafluoroethane cf3chf2  
933 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
934 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
935 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
936 CCl3CHCl2 pentachloroethane ccl3chcl2  
937 C6H5F Fluorobenzene bzf  
938 C6H5Cl chlorobenzene bzcl  
939 C6H5Br bromobenzene bzbr  
940 C8H6 Calicene calicene  
941 C6H5CCH phenylacetylene phac  
942 C8H6 benzocyclobutadiene bcbd  
943 C8H6 Pentalene pentalene  
944 C6H5CHCH2 Styrene styrene  
945 C8H8 cyclooctatetraene cot  
946 C6H5CH2CH3 Ethylbenzene etbz  
947 CH3C6H4CH3 meta-xylene mxylene  
948 CH3C6H4CH3 paraxylene pxylene  
949 C8H16 cyclooctane cyclooct  
950 (CH3)3CC(CH3)3 tetramethylbutane tmb  
951 C8H18 Octane c8h18  
952 C6H5CN phenyl cyanide phcn  
953 C4O4-- squarate dianion c4o4--  
954 S4N4 Tetrasulfur tetranitride s4n4  
955 S8 Octasulfur s8  
956 C6H4O2 parabenzoquinone pbq  
957 C4H4N2O2 Uracil uracil  
958 C6H5OCH3 Anisole anisole  
959 C5H9NO2 Proline proline  
960 C4F4 tetrafluorcyclobutadiene c4f4  
961 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
962 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
963 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
964 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
965 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
966 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
967 C2F6 hexafluoroethane c2f6  
968 C2Cl6 hexachloroethane c2cl6  
969 IF7 Iodine heptafluoride if7  
970 C6H4F2 metadifluorobenzene mdfb  
971 C6H4Cl2 1,2-dichlorobenzene dcb12  
972 C6H4Cl2 1,3-dichlorobenzene dcb13  
973 C6H4Cl2 1,4-dichlorobenzene dcb14  
974 C6H5NO nitrosobenzene bzno  
975 C9H8 Indene indene  
976 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
977 C9H12 n-propyl benzene prbz  
978 C9H20 Nonane nonane  
979 C(CN)4 tetracyanomethane c5n4  
980 C5H4N4 purine purine  
981 C8H7N Indole indole  
982 C3H3N3O3 cyanuric acid cyanuric  
983 C6H5NO2 Nitrobenzene c6h5no2  
984 C6H5COOH benzoic acid benzo  
985 CH3COC6H5 acetophenone acph  
986 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
987 C3F6 hexafluoropropene c3f6  
988 C6H3F3 Benzene trifluoride 123 bzf3a  
989 C8H18O 1-Octanol octanol  
990 C10H8 Azulene azu  
991 C10H8 naphthalene naph  
992 C10H10 bullvalene bullv  
993 C10H16 adamantane adamantane  
994 C6N4 Tetracyanoethylene tcne  
995 C10H22 Decane decane  
996 C4F6 perfluorobutadiene c4f6  
997 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
998 C3F8 perfluoropropane c3f8  
999 Fe(CO)5 Iron pentacarbonyl ipc  
1000 Fe(C5H5)2 ferrocene fecp2  
1001 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1002 C12H8 Acenaphthylene acenaph  
1003 C12H8 biphenylene biph  
1004 C12H10 biphenyl biphenyl  
1005 C12H10 Heptalene heptalene  
1006 C6H12O6 Inositol inositol  
1007 C6F6 hexafluorobenzene c6f6  
1008 S2F10 disulphur decafluoride s2f10  
1009 C14H10 Anthracene anth  
1010 C14H10 Phenanthrene phenanthrene  
1011 C14H14 Bibenzyl bibenzyl  
1012 C12H10N2 azobenzene azobenzene  
1013 C6H5COC6H5 benzophenone benzophenone  
1014 C16H10 Pyrene pyrene  
1015 C18H12 Tetracene tetracene  
1016 C19H16 Triphenylmethane tpm  
1017 C60 Buckminsterfullerene c60