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List of which calculations are completed at B97D3 /6-311+G(3df,2p)

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 D- Deuterium atom anion 2SKh
3 D+ Deuterium atom cation  Kh
4 H Hydrogen atom 1SKh
5 H- Hydrogen atom anion 2SKh
6 H+ Hydrogen atom cation  Kh
7 D2 Deuterium diatomic 1ΣgD∞h
8 H2 Hydrogen diatomic 1ΣgD∞h
9 H2- hydrogen diatomic anion 2Σu+D∞h
10 H2+ Hydrogen cation 2Σg+D∞h
11 HD Deuterium hydride 1ΣgD∞h
12 H3+ hydrogen trimer cation 1A1'D3h
13 He Helium atom 1SKh
14 He Helium atom   
15 He- Helium atom anion 2SKh
16 He+ Helium atom cation 2SKh
17 HeH Helium hydride 2ΣC∞v
18 HeH+ Helium hydride cation 1ΣC∞v
19 He2+ helium diatomic cation 2ΣuD∞h
20 Li Lithium atom 2SKh
21 Li- Lithium atom anion 1SKh
22 Li+ Lithium atom cation 1SKh
23 Na Sodium atom 2SKh
24 Na- Sodium atom anion 1SKh
25 Na+ Sodium atom cation 1SKh
26 K Potassium atom 2SKh
27 K- Potassium atom anion 1SKh
28 K+ Potassium atom cation 1SKh
29 Cu Copper atom 2SKh
30 Cu- Copper atom anion 1SKh
31 Cu+ Copper atom cation 1SKh
32 LiH Lithium Hydride 1ΣC∞v
33 LiH- lithium hydride anion 2ΣC∞v
34 LiH+ lithium hydride cation 2ΣC∞v
35 NaH sodium hydride 1ΣC∞v
36 NaH- sodium hydride anion 2ΣC∞v
37 NaH+ sodium hydride cation 2ΣC∞v
38 KH Potassium hydride 1ΣC∞v
39 KH+ Potassium hydrogen cation 2ΣC∞v
40 CuH Copper monohydride 1ΣC∞v
41 Be Beryllium atom 1SKh
42 Be- Beryllium atom anion 2PKh
43 Be+ Beryllium atom cation 2SKh
44 Mg Magnesium atom 1SKh
45 Mg- Magnesium atom anion 2PKh
46 Mg+ Magnesium atom cation 2SKh
47 Ca Calcium atom 1SKh
48 Ca- Calcium atom anion 2DKh
49 Ca+ Calcium atom cation 2SKh
50 Zn Zinc atom 1SKh
51 Zn- Zinc atom anion 2PKh
52 Zn+ Zinc atom cation 2SKh
53 BeH beryllium monohydride 2ΣC∞v
54 BeH- berylium monohydride anion 1ΣC∞v
55 BeH+ beryllium monohydride cation 1ΣC∞v
56 MgH magnesium monohydride 2ΣC∞v
57 MgH- magnesium monohydride anion 1ΣC∞v
58 MgH+ magnesium monohydride cation 1ΣC∞v
59 CaH Calcium monohydride 2ΣC∞v
60 CaH+ Calcium monohydride cation 2ΣC∞v
61 TiH Titanium monohydride 4ΦC∞v
62 ZnH Zinc monohydride 2ΣC∞v
63 ZnH+ Zinc, protonated   
64 BeH2 beryllium dihydride 1ΣgD∞h
65 BeH2+ Beryllium dihydride cation 2ΣC∞v
66 BeH2+ Beryllium dihydride cation 2ΣuD∞h
67 BeH2+ Beryllium dihydride cation   
68 MgH2 magnesium dihydride 1ΣgD∞h
69 CaH2 Calcium Hydride 1ΣgD∞h
70 CaH2 Calcium Hydride 1A1C2v
71 ZnH2 Zinc hydride 1ΣgD∞h
72 ZnH2 Zinc hydride 1A1C2v
73 B Boron atom 2PKh
74 B Boron atom 4PKh
75 B- Boron atom anion 3PKh
76 B- Boron atom anion 1DKh
77 B+ Boron atom cation 1SKh
78 Al Aluminum atom 2PKh
79 Al- Aluminum atom anion 3PKh
80 Al- Aluminum atom anion 1DKh
81 Al+ Aluminum atom cation 1SKh
82 Sc Scandium atom 2DKh
83 Sc Scandium atom 4FKh
84 Sc+ Scandium cation 3DKh
85 Ga Gallium atom 2P 
86 Ga- Gallium atom anion 3POh
87 Ga+ Gallium atom cation 1S 
88 BH Boron monohydride 1ΣC∞v
89 BH- boron monohydride anion 2ΠC∞v
90 BH- boron monohydride anion 4ΣC∞v
91 BH+ boron monohydride cation 2ΣC∞v
92 AlH aluminum monohydride 1ΣC∞v
93 AlH- aluminum monohydride anion 2ΠC∞v
94 AlH+ aluminum monohydride cation 2ΣC∞v
95 ScH Scandium monohydride 1ΣC∞v
96 ScH+ Scandium monohydride cation 2ΣC∞v
97 GaH Gallium monohydride 1ΣC∞v
98 GaH+ Gallium monohydride cation 2ΣC∞v
99 BH2 boron dihydride 2A1C2v
100 BH2- boron dihydride anion 3B1C2v
101 BH2- boron dihydride anion 1A1C2v
102 BH2+ Boron dihydride cation 1ΣgD∞h
103 AlH2 aluminum dihydride 2A1C2v
104 AlH2- aluminum dihydride anion 1A1C2v
105 AlH2+ aluminum dihydride cation 1ΣgD∞h
106 BH3 boron trihydride 1A1'D3h
107 BH3- boron trihydride anion 2A2"D3h
108 BH3- boron trihydride anion 2A1C3v
109 BH3+ boron trihydride cation 2E'D3h
110 BH3+ boron trihydride cation 2B2C2v
111 BH3+ boron trihydride cation  C2v
112 AlH3 aluminum trihydride 1A1'D3h
113 AlH3- aluminum trihydride anion 2A2"D3h
114 AlH3- aluminum trihydride anion  C3v
115 AlH3+ aluminum trihydride cation 2ED3h
116 AlH3+ aluminum trihydride cation 2A1C2v
117 ScH3 Scandium trihydride 1A1'D3h
118 GaH3 Gallium trihydride 1A1'D3h
119 BH4 borohydride 2B2C2v
120 BH4 borohydride 2B2D2d
121 BH4- borohydride anion 1A1Td
122 AlH4- Aluminum tetrahydride anion 1A1Td
123 C Carbon atom 3P0Kh
124 C Carbon atom 3P1Kh
125 C- Carbon atom anion 4SKh
126 C- Carbon atom anion 2DKh
127 C+ Carbon atom cation 2PKh
128 Si Silicon atom 3PKh
129 Si Silicon atom 1SKh
130 Si- Silicon atom anion 4SKh
131 Si+ Silicon atom cation 2PKh
132 Ti Titanium atom 3FKh
133 Ti- Titanium atom anion 4FKh
134 Ti+ Titanium atom cation 2DKh
135 Ge Germanium atom 3PKh
136 Ge- Germanium anion 4SKh
137 Ge+ Germanium cation 2PKh
138 CH Methylidyne 2Π1/2C∞v
139 CH Methylidyne 4Σ-C∞v
140 CH- methylidyne anion 3ΣC∞v
141 CH+ Methylidyne cation 1ΣC∞v
142 SiH Silylidyne 2ΠC∞v
143 SiH- silicon monohydride anion 3ΣC∞v
144 SiH+ silicon monohydride cation 1ΣC∞v
145 GeH germylidene 2ΠC∞v
146 GeH+ Germaniun monohyrdide cation 1ΣC∞v
147 CH2 Methylene 3B1C2v
148 CH2 Methylene 3ΣGD∞h
149 CH2 Methylene 1A1C2v
150 CH2- methylene anion 2B1C2v
151 CH2+ methylene cation 2A1C2v
152 CH2+ methylene cation 2ΠD∞h
153 SiH2 silicon dihydride 1A1C2v
154 SiH2 silicon dihydride 3B1C2v
155 SiH2- silicon dihydride anion 2B1C2v
156 SiH2+ silicon dihydride cation 2A1C2v
157 GeH2 germylene 1A1C2v
158 GeH2- germylene anion 2B1C2v
159 CH3 Methyl radical 2A1D3h
160 CH3- methyl anion 1A1C3v
161 CH3+ methyl cation 1A1'D3h
162 SiH3 Silyl radical 2A1C3v
163 SiH3- Silyl anion 1A1C3v
164 SiH3+ Silyl cation 1A1'D3h
165 GeH3 Germyl radical 2A1C3v
166 GeH3+ germyl cation 1A1'D3h
167 CD4 methane-d4 1A1Td
168 CH2D2 methane-d2 1A1C2v
169 CH3D methane-d 1A1C3v
170 CH4 Methane 1A1Td
171 CH4- Methane anion 2A1Td
172 CH4+ Methane cation 2B1C2v
173 CH4+ Methane cation 2T2Td
174 CH4+ Methane cation 2B2D2d
175 CHD3 methane-d3 1A1C3v
176 SiH2D2 silane-d2   
177 SiH4 Silane 1A1Td
178 SiH4+ Silane cation 2B1C2v
179 GeH4 Germane 1A1Td
180 SiH5+ Silane, protonated   
181 N Nitrogen atom 4SKh
182 N Nitrogen atom 2DKh
183 N- Nitrogen atom anion 3SKh
184 N+ Nitrogen atom cation 3PKh
185 P Phosphorus atom 4SKh
186 P- Phosphorus atom anion 3PKh
187 P+ Phosphorus atom cation 3PKh
188 V Vanadium atom 4FKh
189 V+ Vanadium atom cation 5DKh
190 As Arsenic atomic 4SKh
191 As- Arsenic anion 3PKh
192 As+ Arsenic cation 3PKh
193 NH Imidogen 3Σ-C∞v
194 NH Imidogen 1Σ+C∞v
195 NH- Imidogen anion 2ΠC∞v
196 NH+ imidogen cation 2ΠC∞v
197 PH phosphorus monohydride 3Σ-C∞v
198 PH phosphorus monohydride 1ΔC∞v
199 PH phosphorus monohydride 1Σ+C∞v
200 PH- phosphorus monohydride anion 2ΠC∞v
201 PH+ phosphorus monohydride cation 2ΠC∞v
202 AsH Arsenic monohydride 3ΣC∞v
203 AsH Arsenic monohydride 1ΣC∞v
204 AsH+ Arsenic monohydride cation 2ΠC∞v
205 ND2 Amidogen-d2 2B1C2v
206 NH2 Amino radical 2B1C2v
207 NH2- amino anion 1A1C2v
208 NH2+ Amino cation 3B1C2v
209 NH2+ Amino cation 1A1C2v
210 PH2 Phosphino radical 2B1C2v
211 PH2- Phosphino anion 1A1C2v
212 PH2+ Phosphino cation 1A1C2v
213 AsH2 Arsenic dihydride 2A1C2v
214 AsH2+ Arsenic dihydride cation 1A1C2v
215 ND3 Ammonia-d3 1A1C3v
216 NH3 Ammonia 1A1C3v
217 NH3- Ammonia anion 2A1C3v
218 NH3+ ammonia cation 2A2"D3h
219 PH3 Phosphine 1A1C3v
220 PH3+ Phosphine cation 2A1C3v
221 AsH3 Arsine 1A1C3v
222 AsH3+ Arsine cation 2A1C3v
223 AsH4+ Arsonium   
224 NH4 Ammonium radical   
225 NH4+ ammonium cation 1A1Td
226 PH4 Phosphoranyl radical   
227 PH4+ phosphonium cation   
228 O Oxygen atom 3SKh
229 O- Oxygen atom anion 2PKh
230 O+ Oxygen atom cation 4SKh
231 S Sulfur atom 3PKh
232 S Sulfur atom   
233 S- Sulfur atom anion 2PKh
234 S+ Sulfur atom cation 4SKh
235 Se Selenium atom 3PKh
236 Se- Selenium atom anion 2PKh
237 Se+ Selenium atom cation 4SKh
238 DO Hydroxyl-d 2ΠC∞v
239 OH Hydroxyl radical 2ΠC∞v
240 OH- hydroxide anion 1ΣC∞v
241 OH+ hydoxyl cation 3ΣC∞v
242 OH+ hydoxyl cation 3ΠC∞v
243 OH+ hydoxyl cation 1ΣC∞v
244 DS Mercapto-d 2ΠC∞v
245 HS Mercapto radical 2ΠC∞v
246 HS- mercapto anion 1ΣC∞v
247 HS+ sulfur monohydride cation 3ΣC∞v
248 HS+ sulfur monohydride cation 1ΠC∞v
249 CrH Chromium hydride 6ΣC∞v
250 CrH+ Chromium hydride cation 5ΣC∞v
251 HSe Selenium monohydride 2ΠC∞v
252 HSe- selenium monohydride anion 1ΣC∞v
253 HSe+ selenium monohydride cation 3ΣC∞v
254 HSe+ selenium monohydride cation 1ΣC∞v
255 D2O Deuterium oxide 1A1C2v
256 H2O Water 1A1C2v
257 H2O- water anion 2A1C2v
258 H2O- water anion 2A'Cs
259 H2O+ water cation 2B1C2v
260 HDO Water-d1 1A1C2v
261 D2S Hydrogen sulfide-d2 1A1C2v
262 H2S Hydrogen sulfide 1A1C2v
263 H2S- Hydrogen sulfide anion 2B2C2v
264 H2S- Hydrogen sulfide anion 2A'Cs
265 H2S+ Hydrogen sulfide cation 2B1C2v
266 H2Se Hydrogen selenide 1A1C2v
267 H2Se+ Hydrogen selenide cation 2B1C2v
268 H3O+ hydronium cation 1A1C3v
269 H3S+ Sulfonium cation 1A1C3v
270 H3Se+ Hydrogen Selenide, protonated 1A1C3v
271 F Fluorine atom 2PKh
272 F- Fluorine atom anion 1SKh
273 F+ Fluorine atom cation 3SKh
274 Cl Chlorine atom 2PKh
275 Cl- Chlorine atom anion 1SKh
276 Cl- Chlorine atom anion  Kh
277 Cl+ Chlorine atom cation 3PKh
278 Cl+ Chlorine atom cation 1DKh
279 Br Bromine atom 2PKh
280 Br- Bromine atom anion 1SKh
281 Br+ Bromine atom cation 3PKh
282 DF Hydrofluoric acid-d 1ΣC∞v
283 HF Hydrogen fluoride 1ΣC∞v
284 HF- hydrogen fluoride anion 2ΣC∞v
285 HF+ hydrogen fluoride cation 2ΠC∞v
286 DCl Hydrochloric acid-d 1ΣC∞v
287 HCl Hydrogen chloride 1ΣC∞v
288 HCl- hydrogen chloride anion 2ΣC∞v
289 HCl+ hydrogen chloride cation 2ΠC∞v
290 HBr hydrogen bromide 1ΣC∞v
291 HBr- hydrogen bromide anion 2ΣC∞v
292 HBr+ hydrogen bromide cation 2ΠC∞v
293 H2F+ dihydrogen fluoride cation 1A1C2v
294 H2Cl+ dihydrogen monochloride cation 1A1C2v
295 H2Br+ protonated hydrogen bromide 2A1C2v
296 Ne Neon atom 1SKh
297 Ne Neon atom   
298 Ne- Neon atom anion 2SKh
299 Ne+ Neon atom cation 2PKh
300 Ar Argon atom 1SKh
301 Ar- Argon atom anion 2SKh
302 Ar+ Argon atom cation 2PKh
303 Fe Iron atom 5DKh
304 Kr Krypton atom 1SKh
305 Kr+ Krypton cation 2PKh
306 HeLi+ Helium Lithium cation   
307 NeH neon hydrogen 2ΣC∞v
308 NeH+ neon hydrogen cation 1ΣC∞v
309 ArH+ Argon hydride cation 1ΣC∞v
310 KrH+ Protonated Krypton 1ΣC∞v
311 H2Ar H2 Ar dimer 1ΣC∞v
312 Li2 Lithium diatomic 1ΣgD∞v
313 Li2 Lithium diatomic 3ΣuD∞v
314 Li2- lithium diatomic anion 2ΣuD∞h
315 Li2+ lithium diatomic cation 2ΣgD∞h
316 NaLi lithium sodium 1ΣC∞v
317 NaLi- lithium sodium anion 2ΣC∞v
318 NaLi+ lithium sodium cation 2ΣC∞v
319 LiK Lithium Potassium 1ΣC∞v
320 Na2 Sodium diatomic 1ΣgD∞h
321 Na2- sodium diatomic anion 2ΣuD∞h
322 Na2+ sodium diatomic cation 2ΣgD∞h
323 NaK Sodium Potassium 1ΣC∞v
324 K2 Potassium diatomic 1ΣgD∞h
325 Cu2 Copper diatomic 1ΣgD∞h
326 LiBe Lithium Beryllium 2ΣC∞v
327 LiMg Lithium magnesium 2ΣC∞v
328 NaBe Sodium Beryllium 2ΣC∞v
329 NaMg Sodium Magnesium 2ΣC∞v
330 Be2 Beryllium diatomic 1ΣgD∞h
331 Be2 Beryllium diatomic 3ΠgD∞h
332 Be2- Beryllium diatomic anion 2ΠuD∞h
333 Be2+ Beryllium diatomic cation 2ΣuD∞h
334 BeMg Beryllium Magnesium 1ΣC∞v
335 Mg2 Magnesium diatomic 1ΣgD∞h
336 Mg2- magnesium diatomic anion 2ΠUD∞h
337 Mg2+ magnesium diatomic cation 2ΣuD∞h
338 Ca2 Calcium diatomic 1ΣGD∞h
339 LiB Lithium boride 3ΠC∞v
340 LiAl Lithium Aluminum   
341 NaAl Sodium aluminum 1ΣC∞v
342 BeB Beryllium monoboride 2ΠC∞v
343 B2 Boron diatomic 3ΣgD∞h
344 B2 Boron diatomic 1ΣgD∞h
345 B2 Boron diatomic 5ΣuD∞h
346 B2- Boron diatomic anion 4ΣgD∞h
347 B2+ Boron diatomic cation 2ΠD∞h
348 BAl Boron Aluminum 3ΣC∞v
349 Al2 Aluminum diatomic 3ΣgD∞h
350 Al2 Aluminum diatomic 1ΣgD∞h
351 Al2 Aluminum diatomic 5ΣuD∞h
352 Al2- aluminum diatomic anion 4ΣgD∞h
353 Al2+ aluminum diatomic cation 2ΣgD∞h
354 BGa Boron Gallium 3ΣC∞v
355 AlGa Aluminum Gallium 3ΣC∞v
356 AlGa Aluminum Gallium 1ΣC∞v
357 Ga2 Gallium diatomic 3Piu 
358 HBBH Diborane(2) 3ΣGD∞h
359 LiBH4 Lithium borohydride 1A1C3v
360 B2H4 Diborane(4) D2d 1A1D2d
361 HBHHBH Diborane(4) C2V 1A1C2v
362 B2H6 Diborane 1AgD2h
363 B2H6+ Diborane cation   
364 Al2H6 dialane 1AGD2h
365 Ga2H6 digallane 1AGD2h
366 LiC Lithium Carbide 4ΣC∞v
367 BeC Beryllium Carbide 3Σ-C∞v
368 CaC Calcium monocarbide   
369 BC boron monocarbide 4Σ-C∞v
370 BC boron monocarbide 2ΠC∞v
371 BC- boron monocarbide anion 3ΠuC∞v
372 BC- boron monocarbide anion 1Σg+C∞v
373 BC+ boron monocarbide cation 3ΣC∞v
374 BC+ boron monocarbide cation 1ΣC∞v
375 AlC Aluminum carbide 4ΣC∞v
376 BSi Boron silicide 4ΣC∞v
377 BSi Boron silicide 2ΣC∞v
378 C2 Carbon diatomic 1Σg+D∞h
379 C2 Carbon diatomic 3ΠuD∞h
380 C2 Carbon diatomic 1Πu 
381 C2- carbon diatomic anion 2ΣgD∞h
382 C2+ carbon diatomic cation 4ΣgD∞h
383 C2+ carbon diatomic cation 2ΠD∞h
384 SiC silicon monocarbide 3ΣC∞v
385 SiC silicon monocarbide 1ΣC∞v
386 SiC- silicon monocarbide anion 2ΣgC∞v
387 SiC+ silicon monocarbide cation 2ΠC∞v
388 Si2 Silicon diatomic 3ΣgD∞h
389 Si2 Silicon diatomic 1ΣgD∞h
390 Si2- silcon diatomic anion 2ΣgD∞h
391 Si2+ silcon diatomic cation 2ΠD∞h
392 GeC Germanium monocarbide 1ΣC∞v
393 GeC Germanium monocarbide   
394 SiGe Silicon Germanium   
395 Ge2 Germanium diatomic 3ΣgD∞h
396 Ge2 Germanium diatomic 1ΣGD∞h
397 C2H Ethynyl radical 2ΣC∞v
398 C2H- Ethynyl anion 1ΣC∞v
399 C2H+ Ethynyl cation 3ΠC∞v
400 C2H+ Ethynyl cation 1A'Cs
401 C2H+ Ethynyl cation 1ΣC∞v
402 ZnCH2 Zinc methylene 3B1C2v
403 ZnCH2 Zinc methylene 1A1C2v
404 ZnCH2 Zinc methylene 1A'Cs
405 C2H2 Acetylene 1ΣgD∞h
406 C2H2+ acetylene cation 2ΠuD∞h
407 C2H2+ acetylene cation   
408 CCH2 vinylidene 1A1C2v
409 CCH2 vinylidene 3B2C2v
410 H2CC- vinylidene anion   
411 HCCH- acetylene anion   
412 HCCH- acetylene anion   
413 Si2H2 disilyne   
414 Si2H2 disilyne   
415 Si2H2 disilyne   
416 Si2H2 disilyne   
417 CH3Li methyl lithium 1A1C3v
418 CuCH3 monomethyl copper 1A1C3v
419 ZnCH3 Zinc monomethyl 2A1C3v
420 CH2BH methyleneborane 1A1C2v
421 C2H3 vinyl 2A'Cs
422 C2H3- vinyl anion 1A'Cs
423 C2H3+ vinyl cation 1A1C2V bridging H
424 C2H3+ vinyl cation 1A1C2V HCCH2
425 C2H4 Ethylene 1AgD2h
426 C2H4- Ethylene anion 2B2gD2h
427 C2H4- Ethylene anion 2AgC2h
428 C2H4+ Ethylene cation 2B3uD2h
429 C2H4+ Ethylene cation 2B3D2
430 CH3CH methylmethylene 3A"Cs
431 CH2SiH2 silaethylene 1A1C2v
432 Si2H4 Disilene   
433 Si2H4 Disilene   
434 Si2H4 Disilene   
435 CH3BH2 methylborane 1A'Cs
436 C2H5 Ethyl radical 2A'Cs
437 C2H5- Ethyl anion 1A'Cs
438 C2H5+ Ethyl cation 1A1C2v
439 C2H5+ Ethyl cation 1A'Cs
440 C2H6 Ethane 1A1gD3d
441 C2H6 Ethane 1A1'D3h
442 C2H6+ ethane cation 2BgC2h
443 C2H6+ ethane cation 2AgCi
444 C2H6+ ethane cation 2A1gD3d
445 CH3SiH3 methyl silane 1A1C3
446 Si2H6 disilane 1EuD3d
447 GeH3CH3 methyl germane 1A1C3v
448 C2H7+ Ethane, protonated 1AC2
449 C2H7+ Ethane, protonated 1A1gD3d
450 LiN Lithium Nitride 3ΣC∞v
451 LiN Lithium Nitride 1ΣC∞v
452 LiN+ Lithium Nitride cation 4ΣC∞v
453 LiN+ Lithium Nitride cation 2ΠC∞v
454 LiP Lithium monophosphide   
455 LiP Lithium monophosphide   
456 BeN Beryllium mononitride 4ΣC∞v
457 BeN Beryllium mononitride 2ΠC∞v
458 BeN- Beryllium mononitride anion 1ΣC∞v
459 BeN+ Beryllium mononitride cation 3ΣC∞v
460 BeN+ Beryllium mononitride cation 1ΣC∞v
461 MgN Magnesium Nitride   
462 MgN Magnesium Nitride   
463 BN- boron nitride anion 2ΣC∞v
464 AlN- aluminum mononitride anion 2ΣC∞v
465 AlN+ aluminum mononitride cation 2ΠC∞v
466 BP Boron monophosphide 3ΠC∞v
467 AlP Aluminum monophosphide 3ΣC∞v
468 AlP Aluminum monophosphide 3ΠC∞v
469 GaN Gallium mononitride 3ΠC∞v
470 GaN Gallium mononitride 1ΣC∞v
471 GaP Gallium monophosphide 3ΣC∞v
472 GaAs Gallium arsenide 3Π 
473 GaAs Gallium arsenide 1Σ 
474 BN boron nitride 3ΠC∞v
475 BN boron nitride 1ΣC∞v
476 BN+ boron nitride cation 2ΠC∞v
477 AlN Aluminum nitride 3ΠiC∞v
478 AlN Aluminum nitride 1ΣC∞v
479 CN Cyano radical 2ΣC∞v
480 CN- cyanide anion 1ΣC∞v
481 CN+ Cyano cation 1ΣC∞v
482 CP Carbon monophosphide 2ΣC∞v
483 CP- carbon monophosphide anion 1ΣC∞v
484 CP+ carbon monophosphide cation 3ΣC∞v
485 CP+ carbon monophosphide cation 1ΣC∞v
486 SiN Silicon nitride 2ΣC∞v
487 SiN- silicon mononitride anion 1ΣC∞v
488 SiN+ silicon mononitride cation 3ΠC∞v
489 SiP Silicon monophosphide 2ΠC∞v
490 SiP- Silicon monophosphide anion 1ΣC∞v
491 SiP+ Silicon monophosphide cation 3ΣC∞v
492 SiP+ Silicon monophosphide cation 1ΣC∞v
493 TiN Titanium mononitride 2ΣC∞v
494 N2 Nitrogen diatomic 1ΣgD∞h
495 N2 Nitrogen diatomic   
496 N2- nitrogen diatomic anion 2ΠgD∞h
497 N2+ diatomic nitrogen cation 2ΣgD∞h
498 PN Phosphorus mononitride 1ΣC∞v
499 PN- phosphorus nitride anion 2ΠC∞v
500 PN+ phosphorus nitride cation 2ΠC∞v
501 P2 Phosphorus diatomic 1ΣgD∞h
502 P2- phosphorus diatomic anion 2ΠgD∞h
503 P2+ phosphorus diatomic cation 2ΠUD∞h
504 AsN Arsenic mononitride 1ΣC∞v
505 AsP Arsenic monophosphide 1ΣC∞v
506 As2 Arsenic diatomic 1ΣgD∞h
507 HNB hydrogen nitrogen boron 2ΣC∞v
508 HNC hydrogen isocyanide 1ΣC∞v
509 HCN Hydrogen cyanide 1ΣC∞v
510 HCN- Hydrogen cyanide anion 2A'Cs
511 HCN+ hydrogen cyanide cation 2ΠC∞v
512 HNC+ hydrogen isocyanide cation   
513 HCP Phosphaethyne 1ΣC∞v
514 HCP+ Phosphaethyne cation   
515 NNH Dinitrogen monohydride 2A'Cs
516 NNH+ Dinitrogen monohydride cation 1ΣC∞v
517 HPO Hydrogen phosphorus oxide 1A'Cs
518 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
519 LiNH2 lithium amide   
520 HBNH Boranimine 1ΣC∞v
521 CNH2 Aminomethylidyne radical 2B2C2v
522 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
523 H2CN Dihydrogen cyanide radical 2B2C2v
524 H2CN+ hydrocyanonium cation 1A1C2v
525 HCNH methyleneazane 2A'CS cis
526 HCNH methyleneazane 2A'CS trans
527 HCNH+ N-protonated HCN 1ΣC∞v
528 H2NN Isodiazene   
529 N2H2 (E)-diazene 1AgC2h
530 N2H2 (Z)-Diazene 1A1C2v
531 N2H2+ trans-diazene cation 2AGC2h
532 CH2NH Methanimine 1A'Cs
533 CH2NH+ Methanimine cation   
534 CHNH2 aminomethylene   
535 CHNH2+ Aminocarbene cation   
536 CH2PH Phosphaethene 1A'Cs
537 BH2NH2 Boranamine   
538 CH2NH2+ methyleneamine cation 1A1C2v
539 N2H4 Hydrazine 1AC2
540 N2H4+ hydrazine cation 2AGC2h
541 P2H4 Diphosphine 1AC2
542 CH3NH2 methyl amine 1A'Cs
543 CH3NH2+ methyl amine cation 2A'Cs
544 CH3PH2 Methyl phosphine 1A'Cs
545 SiH3NH2 Silane, amino   
546 N2H5+ protonated hydrazine 1A'Cs
547 BH3PH3 borane phosphine   
548 BH3NH3 borane ammonia 1A1C3v
549 CH3NH3 methyl ammonium radical 2A1C3v
550 CH3NH3+ protonated methylamine 1A1C3v
551 CH3PH3+ methyl phosphine, protonated 1A1C3v
552 NH3NH3 Ammonia Dimer 1AgC2h
553 NH3NH3 Ammonia Dimer 1A'Cs
554 N2H7+ ammonia ammonium dimer   
555 LiO lithium oxide 2ΣC∞v
556 LiO- lithium oxide anion 1ΣC∞v
557 LiO- lithium oxide anion 3ΣC∞v
558 LiO+ lithium oxide cation 3ΣC∞v
559 LiO+ lithium oxide cation 1ΣC∞v
560 LiS Lithium monosulfide 2ΠC∞v
561 LiS+ Lithium sulfide cation 3ΣC∞v
562 NaO sodium monoxide 2ΣC∞v
563 NaO- sodium oxide anion 1ΣC∞v
564 NaO+ sodium oxide cation 3ΣC∞v
565 KO Potassium monoxide 2ΣC∞v
566 KO+ Potassium monoxide cation 3ΣC∞v
567 NaS Sodium sulfide 2ΠC∞v
568 CuO Copper Monoxide 2ΠC∞v
569 LiSe Lithium monoselenide   
570 BeO beryllium oxide 1ΣC∞v
571 BeO- Beryllium monoxide anion 2ΣC∞v
572 BeO+ Beryllium monoxide cation 2ΠC∞v
573 BeS beryllium sulfide 1ΣC∞v
574 MgO magnesium oxide 1Σ+C∞v
575 MgO- magnesium oxide anion 2ΣC∞v
576 MgO+ magnesium oxide cation 2ΠC∞v
577 CaO Calcium monoxide 1ΣC∞v
578 MgS magnesium sulfide 1ΣC∞v
579 MgS- magnesium sulfide anion 2ΣC∞v
580 MgS+ magnesium sulfide cation 2ΠC∞v
581 CaS Calcium sulfide 1ΣC∞v
582 ZnO zinc monoxide 1ΣC∞v
583 ZnS Zinc sulfide 1Σ+C∞v
584 ZnS Zinc sulfide 3ΠC∞v
585 BeS- Beryllium monosulfide anion 2ΣC∞v
586 BeS+ Beryllium monosulfide cation 2ΠC∞v
587 BO boron monoxide 2ΣC∞v
588 BO- boron monoxide anion 1ΣC∞v
589 AlO Aluminum monoxide 2ΣC∞v
590 AlO- Aluminum monoxide anion 1ΣC∞v
591 AlO+ aluminum monoxide cation 1ΣC∞v
592 BS boron sulfide 2ΣC∞v
593 BS- boron monosulfide anion 1ΣC∞v
594 BS+ boron monosulfide cation 1ΣC∞v
595 AlS Aluminum sulfide 2ΣC∞v
596 AlS- aluminum monosulfide anion 1ΣC∞v
597 AlS+ aluminum monosulfide cation 1ΣC∞v
598 ScO Scandium monoxide 2ΣC∞v
599 GaO Gallium monoxide 2ΣC∞v
600 GaS Gallium monosulfide   
601 BO+ boron monoxide cation 1ΣC∞v
602 CO Carbon monoxide 1ΣC∞v
603 CO Carbon monoxide 3ΠC∞v
604 CO- carbon monoxide anion 2ΠC∞v
605 CO+ carbon monoxide cation 2ΣC∞v
606 CS carbon monosulfide 1ΣC∞v
607 CS- carbon monosulfide anion 2ΠC∞v
608 CS+ carbon monosulfide cation 2ΣC∞v
609 SiO Silicon monoxide 1ΣC∞v
610 SiO- silicon monoxide anion 2ΠC∞v
611 SiO+ silicon monoxide cation 2ΣC∞v
612 SiS silicon monosulfide 1ΣC∞v
613 SiS- silicon monosulfide anion 2ΠC∞v
614 SiS+ silicon monosulfide cation 2ΣC∞v
615 TiO Titanium monoxide 3ΔC∞v
616 CSe Carbon monoselenide 1ΣC∞v
617 CSe- Carbon monoselenide anion 2ΠC∞v
618 CSe+ Carbon monoselenide cation 2ΣC∞v
619 GeO Germanium monoxide 1ΣC∞v
620 GeO+ Germanium monoxide cation 2ΣC∞v
621 GeS Germanium monosulfide 1ΣC∞v
622 SiSe Silicon Monoselenide   
623 SiSe+ Silicon Monoselenide cation   
624 GeSe Germanium monoselenide   
625 NO Nitric oxide 2ΠC∞v
626 NO- nitric oxide anion 3ΣC∞v
627 NO- nitric oxide anion 1ΔC∞v
628 NO+ nitric oxide cation 1ΣC∞v
629 NS Mononitrogen monosulfide 2ΠC∞v
630 NS- nitrogen sulfide anion 3ΣC∞v
631 NS- nitrogen sulfide anion 1ΣC∞v
632 NS+ nitrogen sulfide cation 1ΣC∞v
633 PO Phosphorus monoxide 2ΠC∞v
634 PO- phosphorus monoxide anion 3ΣC∞v
635 PO+ phosphorus monoxide cation 1ΣC∞v
636 PS phosphorus sulfide 2ΣC∞v
637 PS- phosphorus monosulfide anion 3ΣC∞v
638 PS- phosphorus monosulfide anion 1ΣC∞v
639 PS+ phosphorus monosulfide cation 1ΣC∞v
640 VO Vanadium monoxide 4Σ- 
641 AsO Arsenic monoxide 2ΠC∞v
642 NSe Nitrogen monoselenide 2ΠC∞v
643 AsS Arsenic monosulfide 2ΠC∞v
644 PSe Phosphorus monoselenide 2ΠC∞v
645 AsSe Arsenic monoselenide 2ΠC∞v
646 O2 Oxygen diatomic 3ΣgD∞h
647 O2 Oxygen diatomic 1ΔgD∞h
648 O2 Oxygen diatomic 1Σu-D∞h
649 O2- oxygen diatomic anion 2ΠD∞h
650 O2-- dioxygen dianion   
651 O2+ diatomic oxygen cation 2ΠgD∞h
652 SO Sulfur monoxide 3ΣC∞v
653 SO Sulfur monoxide 1ΣC∞v
654 SO- sulfur monoxide anion 2ΠC∞v
655 SO+ sulfur monoxide cation 2ΠC∞v
656 S2 Sulfur diatomic 3ΣgD∞h
657 S2 Sulfur diatomic 1ΣD∞h
658 S2- sulfur diatomic anion 2ΠD∞h
659 S2+ sulfur diatomic cation 2ΠD∞h
660 SeO Selenium monoxide 3ΣC∞v
661 SeO Selenium monoxide 1?C∞v
662 SeO- selenium monoxide anion 2ΠC∞v
663 SeO+ selenium monoxide cation 2ΠC∞v
664 SeS Selenium monosulfide 3ΣC∞v
665 SeS- selenium monosulfide anion 2ΠC∞v
666 SeS+ selenium monosulfide cation 2ΠC∞v
667 Se2 Selenium diatomic 3ΣgD∞h
668 Se2 Selenium diatomic 1Σg+D∞h
669 Se2- selenium diatomic anion 2ΠD∞h
670 Se2+ selenium diatomic cation 2ΠgD∞h
671 LiOH lithium hydroxide 1ΣC∞v
672 NaOH sodium hydroxide 1ΣC∞v
673 KOH Potassium hydroxide 1ΣC∞v
674 BeOH beryllium monohydroxide 2A'Cs
675 BeOH beryllium monohydroxide 2ΣC∞v
676 MgOH magnesium hydroxide 2A'Cs
677 CaOH Calcium monohydroxide 2Σ+C∞v
678 HBO Boron hydride oxide 1ΣC∞v
679 HBS hydrogen boron sulfide 1ΣC∞v
680 COH Hydroxymethylidyne   
681 COH+ Carbon Monoxide, protonated 1ΣC∞v
682 HCO Formyl radical 2A'Cs
683 HCO- formyl anion 1A'Cs
684 HCO+ Formyl cation 1ΣC∞v
685 HCS Thioformyl radical 2A'Cs
686 HCS Thioformyl radical 2ΠC∞v
687 HCS- Thioformyl anion 1A'Cs
688 HCS- Thioformyl anion 3A"Cs
689 HCS+ Thioformyl cation 1ΣC∞v
690 HNO Nitrosyl hydride 1A'Cs
691 HNO- Nitrosyl hydride anion 2A"Cs
692 HNO+ Nitrosyl hydride cation 2A'Cs
693 NOH Hydroxyimidogen 3A"Cs
694 NOH+ O-protonated nitric oxide 2A'Cs
695 HNS Sulfur imide 1A'Cs
696 HNS- Sulfur imide anion 2ACs
697 HO2 Hydroperoxy radical 2A"Cs
698 HO2 Hydroperoxy radical 2ΠC∞v
699 HO2- Hydroperoxy anion 1A'Cs
700 HO2+ Hydroperoxy cation 3A"Cs
701 HO2+ Hydroperoxy cation 3ΣC∞v
702 HO2+ Hydroperoxy cation 1A'Cs
703 HSO+ Sulfur Monoxide, S-protonated   
704 SOH Sulfur Hydroxide   
705 SOH+ Sulfur Monoxide, protonated   
706 HS2 Thiosulfeno radical 2A"Cs
707 H2CO Formaldehyde 1A1C2v
708 H2CO- formaldehyde anion 2A'Cs
709 H2CO- formaldehyde anion   
710 H2CO+ formaldehyde cation 2B2C2v
711 HOCH hydroxycarbene 1A'CS trans
712 HOCH hydroxycarbene 1A'CS cis
713 H2CS Thioformaldehyde 1A1C2v
714 H2CS- thioformaldehyde anion   
715 H2CS- thioformaldehyde anion   
716 H2CS+ thioformaldehyde cation 2B2C2v
717 H2CSe Selenoformaldehyde   
718 H2NO nitroxide 2B1C2v
719 H2NO nitroxide 2A'Cs
720 H2O2 Hydrogen peroxide 1AC2
721 H2O2 Hydrogen peroxide 1AgC2h
722 H2O2+ Hydrogen peroxide cation 2BgC2h
723 H2O2+ Hydrogen peroxide cation 2A1C2v
724 H2OO water oxide   
725 HOSH hydrogen thioperoxide   
726 H2S2 Disulfane 1AC2
727 H2S2+ hydrogen disulfide cation 2BgC2h
728 H2Se2 hydrogen diselenide   
729 CH2OH Hydroxymethyl radical 2AC1
730 CH2OH+ hydroxymethyl cation 1A'Cs
731 CH3O Methoxy radical 2A'C1
732 CH3O- methoxy anion 1A1C3v
733 CH3O+ Methoxy cation 3A1C3v
734 CH3S thiomethoxy 2A'C3v
735 H2CSH+ Thioformaldehyde, protonated 1A'Cs
736 NH2OH hydroxylamine 1A'Cs
737 NH2OH+ Hydroxylamine cation   
738 NH3O Ammonia Oxide 1A1C3v
739 H2POH Phosphinous acid 1A1'CS trans
740 H2POH Phosphinous acid 1A1'CS cis
741 H3PO Phosphine oxide 1A1C3v
742 NH2SH Thiohydroxylamine   
743 NH2SH Thiohydroxylamine   
744 NH3S sulfidoazane   
745 H3O2+ hydrogen peroxide, protonated 1A'Cs
746 CH3OH Methyl alcohol 1A'Cs
747 CH3OH- Methyl alcohol anion 2A'Cs
748 CH3OH- Methyl alcohol anion 2A'CS eclipsed
749 CH3OH+ Methyl alcohol cation 2A"Cs
750 CH3OH+ Methyl alcohol cation 2AC1
751 CH3SH Methanethiol 1A'Cs
752 CH3SH+ Methanethiol cation 2A"Cs
753 SiH3OH silanol   
754 CH3SeH Methane selenol 1A'Cs
755 NH2OH2+ protonated hydroxylamine   
756 NH3OH+ N-protonated hydroxylamine   
757 H2OH2O water dimer 1A'Cs
758 CH3OH2+ Methanol, protonated 1A'Cs
759 CH3SH2+ protonated methylsulfide 1A'Cs
760 H2ONH3 Water Ammonia Dimer 1A'C1
761 H5O2+ Dihydroxonium ion 1AC2
762 LiF lithium fluoride 1ΣC∞v
763 LiCl lithium chloride 1ΣC∞v
764 LiCl- lithium chloride anion 2ΣC∞v
765 LiCl+ lithium chloride cation 2ΠC∞v
766 NaF sodium fluoride 1ΣC∞v
767 NaF- sodium fluoride anion 2ΣC∞v
768 NaF+ sodium fluoride cation 2ΣC∞v
769 KF Potassium Fluoride 1ΣC∞v
770 NaCl Sodium Chloride 1ΣC∞v
771 NaCl- sodium chloride anion 2ΣC∞v
772 NaCl+ sodium chloride cation 2ΠC∞v
773 KCl Potassium Chloride 1ΣC∞v
774 CuF Copper monofluoride 1ΣC∞v
775 LiBr Lithium Bromide 1ΣC∞v
776 LiBr- lithium bromide anion 2ΣC∞v
777 LiBr+ lithium bromide cation 2ΠC∞v
778 CuCl Copper monochloride 1ΣC∞v
779 NaBr Sodium Bromide 1ΣC∞v
780 NaBr- sodium bromide anion 2ΣC∞v
781 NaBr+ sodium bromide cation 2ΠC∞v
782 KBr Potassium Bromide 1ΣC∞v
783 LiF- lithium fluoride anion 2ΣC∞v
784 LiF+ lithium fluoride cation 2ΠC∞v
785 BeF Beryllium monofluoride 2ΣC∞v
786 BeF- Beryllium monofluoride anion 1ΣC∞v
787 BeF+ Beryllium monofluoride cation 1ΣC∞v
788 BeCl beryllium monochloride 2ΣC∞v
789 MgF Magnesium monofluoride 2ΣC∞v
790 MgF- magnesium fluoride anion 1ΣC∞v
791 MgF+ magnesium fluoride cation 1ΣC∞v
792 CaF Calcium monofluoride 2ΣC∞v
793 MgCl magnesium monochloride 2ΣC∞v
794 MgCl- magnesium monochloride anion 1ΣC∞v
795 MgCl+ magnesium monochloride cation 1ΣC∞v
796 CaCl calcium monochloride 2ΣC∞v
797 TiCl Titanium Monochloride 4ΣC∞v
798 ZnF Zinc monofluoride 2ΣC∞v
799 ZnF- Zinc monofluoride anion 1ΣC∞v
800 ZnCl Zinc monochloride 2ΣC∞v
801 CaBr Calcium monobromide   
802 BeCl- beryllium monochloride anion 1ΣC∞v
803 BeCl+ beryllium monochloride cation 1ΣC∞v
804 BF Boron monofluoride 1ΣC∞v
805 BF- Boron monofluoride anion 2ΠC∞v
806 BF+ Boron monofluoride cation 2ΣC∞v
807 AlF Aluminum monofluoride 1Σ+C∞v
808 AlF- Aluminum monofluoride anion 2ΠC∞v
809 AlF+ Aluminum monofluoride cation 2ΣC∞v
810 BCl boron monochloride 1ΣC∞v
811 BCl- boron monochloride anion 2ΠC∞v
812 BCl+ boron monochloride cation 2ΣC∞v
813 AlCl Aluminum monochloride 1ΣC∞v
814 AlCl- aluminum monochloride anion 2ΠC∞v
815 AlCl+ aluminum monochloride cation 2ΣC∞v
816 ScF Scandium monofluoride 1ΣC∞v
817 ScF Scandium monofluoride 3ΔC∞v
818 BBr Boron monobromide 1ΣC∞v
819 GaF Gallium monofluoride 1ΣC∞v
820 GaF+ Gallium monofluoride cation 2ΣC∞v
821 AlBr Aluminum monobromide   
822 GaCl Gallium monochloride 1ΣGC∞v
823 GaCl+ Gallium monochloride cation 2ΣC∞v
824 GaBr Gallium monobromide   
825 CF Fluoromethylidyne 2ΠC∞v
826 CF- carbon monofluoride anion 3ΣC∞v
827 CF- carbon monofluoride anion 1ΣC∞v
828 CF+ carbon monofluoride cation 1ΣC∞v
829 CCl carbon monochloride 2ΠC∞v
830 CCl- carbon monochloride anion 3ΣC∞v
831 CCl+ carbon monochloride cation 1ΣC∞v
832 SiF silicon monofluoride 2ΠC∞v
833 SiF- silicon monofluoride anion 3ΣC∞v
834 SiF- silicon monofluoride anion 1ΣC∞v
835 SiF+ silicon monofluoride cation 1ΣC∞v
836 SiCl Clorosilylidyne 2ΠC∞v
837 SiCl- silicon monochloride anion 3ΣC∞v
838 SiCl+ silicon monochloride cation 1ΣC∞v
839 CBr Carbon monobromide 2ΠC∞v
840 GeF Germanium monofluoride 2ΠC∞v
841 GeF+ Germanium monofluoride cation 1ΣC∞v
842 GeCl Germanium monochloride 2ΠC∞v
843 GeCl+ Germanium monochloride cation   
844 SiBr Silicon monobromide 2ΠC∞v
845 SiBr+ Silicon monobromide cation   
846 NF nitrogen fluoride 3ΣC∞v
847 NF nitrogen fluoride 1ΣC∞v
848 NF- nitrogen monofluorine anion 2ΠC∞v
849 NF+ nitrogen monofluoirde cation 2ΠC∞v
850 NCl nitrogen monochloride 3ΣC∞v
851 NCl nitrogen monochloride 1ΣC∞v
852 NCl- nitrogen monochloride anion 2ΠC∞v
853 NCl+ nitrogen monochloride cation 2ΠC∞v
854 PF phosphorus monofluoride 3ΣC∞v
855 PF phosphorus monofluoride 1ΔC∞v
856 PF phosphorus monofluoride 1ΣC∞v
857 PF- phosphorus monofluoride anion 2ΠC∞v
858 PF+ phosphorus monofluoride cation 2ΠC∞v
859 PCl phosphorus chloride 3ΣC∞v
860 PCl phosphorus chloride 1ΣC∞v
861 PCl- phosphorus monochloride anion 2ΠC∞v
862 PCl+ phosphorus monochloride cation 2ΠC∞v
863 AsF Arsenic monofluoride 3ΣC∞v
864 AsF Arsenic monofluoride 1ΔC∞v
865 AsF Arsenic monofluoride 1ΣC∞v
866 NBr nitrogen monobromide 3Σ-C∞v
867 AsCl Arsenic monochloride 3ΣC∞v
868 PBr Phosphorus monobromide   
869 FO Oxygen monofluoride 2ΠC∞v
870 FO- flourine oxide anion 1ΣC∞v
871 FO+ fluorine monoxide cation 3ΣC∞v
872 ClO Monochlorine monoxide 2ΠC∞v
873 ClO- chlorine monoxide anion 1ΣC∞v
874 ClO+ chlorine monoxide cation 3ΣC∞v
875 ClO+ chlorine monoxide cation 1ΣC∞v
876 SF Monosulfur monofluoride 2ΠC∞v
877 SF- sulfur monofluoride anion 1ΣC∞v
878 SF+ sulfur monofluoride cation 3ΣC∞v
879 SF+ sulfur monofluoride cation 1ΣC∞v
880 SCl sulfur monochloride 2ΠC∞v
881 SCl- sulfur monochloride anion 1ΣC∞v
882 SCl+ sulfur monochloride cation 3ΣgC∞v
883 SCl+ sulfur monochloride cation 1ΣC∞v
884 BrO Bromine monoxide 2ΠC∞v
885 BrO- Bromine monoxide anion 1ΣC∞v
886 BrO+ Bromine monoxide cation   
887 SeF Selenium monofluoride 2ΠC∞v
888 SBr Sulfur monobromide radical   
889 SBr+ Sulfur monobromide cation   
890 SeCl Selenium monochloride 2ΠC∞v
891 SeBr Selenium monobromide   
892 BrCl Bromine monochloride 1ΣC∞v
893 F2 Fluorine diatomic 1ΣgD∞h
894 F2- flourine diatomic anion 2ΣuD∞h
895 F2+ flourine diatomic cation 2ΠgD∞h
896 ClF Chlorine monofluoride 1Σ+C∞v
897 ClF- clorine monofluoride anion 2ΣC∞v
898 ClF+ clorine monofluoride cation 2ΠC∞v
899 Cl2 Chlorine diatomic 1ΣgD∞h
900 Cl2- chlorine diatomic anion 2ΣuD∞h
901 Cl2+ chlorine diatomic cation 2ΠgD∞h
902 BrF Bromine monofluoride 1ΣC∞v
903 BrF- bromine fluoride anion 2ΣC∞v
904 BrF+ bromine fluoride cation 2ΠC∞v
905 BrCl- bromine chloride anion 2ΣC∞v
906 BrCl+ bromine chloride cation 2ΠC∞v
907 Br2 Bromine diatomic 1ΣgD∞h
908 Br2- bromine diatomic anion 2ΣuD∞h
909 Br2+ bromine diatomic cation 2ΠgD∞h
910 HCF Fluoromethylene 1A'Cs
911 HCF Fluoromethylene 3A"Cs
912 HCCl Chloromethylene 1A'Cs
913 HCCl Chloromethylene 3A"Cs
914 HCCl Chloromethylene 3ΣC∞v
915 HSiF fluorosilylene   
916 HSiCl Chlorosilylene   
917 HSiBr monobromosilylene   
918 CHBr bromomethylene 1A'Cs
919 CHBr bromomethylene 3A"Cs
920 HOF Hypofluorous acid 1A'Cs
921 DOCl Hypochlorous acid-d 1A'Cs
922 HOCl hypochlorous acid 1A'Cs
923 HOCl+ hypochlorous acid cation   
924 HOBr Hypobromous acid 1A'Cs
925 HOBr+ Hypobromous acid cation 2A"Cs
926 F2H+ Fluorine, protonated 1A'Cs
927 FHF Hydrogen difluoride 2ΠD∞h
928 FHF- Hydrogen difluoride anion 1ΣgD∞h
929 ClFH+ Chlorine fluoride, F-protonated   
930 FClH+ Chlorine fluoride, Cl-protonated   
931 Cl2H+ Chlorine, protonated 1A'Cs
932 CH2Br bromomethyl radical 2A'Cs
933 CH2Br bromomethyl radical   
934 CH2F fluoromethyl radical 2ACs
935 CH2F+ fluoromethyl cation   
936 CH2Cl+ chloromethyl cation   
937 CH2Cl chloromethyl radical 2A'Cs
938 CH2Cl chloromethyl radical 2B1C2v
939 NH2F monofluoroamine 1A'Cs
940 NH2Cl chloramine 1A'Cs
941 H2F2 Hydrogen fluoride dimer 1AgCs
942 CH3F+ methyl fluoride cation   
943 CD3F methylfluoride-d3 1A1C3v
944 CH3F Methyl fluoride 1A1C3v
945 CD3Cl methyl chloride d3 1A1C3v
946 CH3Cl Methyl chloride 1A1C3v
947 CH3Cl+ Methyl chloride cation   
948 SiH3F monofluorosilane 1A1C3v
949 SiH3Cl chlorosilane 1A1C1
950 CH3Br methyl bromide 1A1C3v
951 GeH3F monofluorogermane   
952 GeH3Cl monochlorogermane   
953 SiH3Br bromosilane 1A1C3v
954 NH3Cl+ protonated monochloroammonia   
955 CH3ClH+ methyl chloride, protonated   
956 NH4Cl Ammonium chloride   
957 LiNe+ Lithium Neon cation   
958 Ne2 Neon diatomic 1ΣgD∞h
959 Ne2+ Neon diatomic cation 2ΣuD∞h
960 Ar2 Argon diatomic 1SgD∞h
961 Ar2+ Argon diatomic cation 2ΣuD∞h
962 Li3 Lithium trimer 2B2C2v
963 Li3+ Lithium trimer cation 1A1'D3h
964 C3 carbon trimer 1ΣgD∞h
965 C3 carbon trimer 1A1C2v
966 C3+ carbon trimer cation 2ΣuD∞h
967 C3+ carbon trimer cation 2B2C2v
968 SiC2 Silicon dicarbide   
969 C3H3 cyclopropenyl radical 2E"D3h
970 C3H3 Propargyl radical 2B1Cs
971 C3H3- Propargyl anion 1A'Cs
972 C3H3- Propargyl anion 1A1C2v
973 C3H3+ cyclopropenyl cation 1A1D3h
974 C3H3+ Propargyl cation 1A1C2v
975 C3H4 cyclopropene 1A1C2v
976 CH2CCH2 allene 1A1D2d
977 CH3CCH propyne 1A'C3v
978 C3H5 Allyl radical 2A2C2v
979 C3H5 Allyl radical 2A"Cs
980 C3H5+ Allyl cation 1A1C2v
981 CH3CHCH 1-propenyl radical 2A'Cs
982 Zn(CH3)2 dimethyl zinc 1A1'D3h
983 Zn(CH3)2 dimethyl zinc 1A1GD3d
984 Zn(CH3)2 dimethyl zinc 1A1C2v
985 C3H6 Cyclopropane 1A1'D3h
986 CH2CHCH3 Propene 1A'Cs
987 C3H7 n-Propyl radical 2A"C1
988 CH3CHCH3 Isopropyl radical 2AC2
989 CH3CHCH3+ Isopropyl cation 1AC2
990 C3H8 Propane 1A1C2v
991 SiH2(CH3)2 dimethylsilane 1A1C2v
992 Si3H8 trisilane   
993 LiCN lithium cyanide 1ΣC*V LiCN
994 LiCN lithium cyanide 1A'Cs
995 LiCN lithium cyanide 1ΣC*V LiNC
996 NaCN Sodium Cyanide 1ΣC∞v
997 NaCN Sodium Cyanide 1ACs
998 NaCN Sodium Cyanide 1ΣC∞v
999 KCN Potassium cyanide 1ΣC∞v
1000 KCN Potassium cyanide 1ΣC∞v
1001 KCN Potassium cyanide 1A'Cs
1002 CuCN Copper cyanide 1ΣC∞v
1003 CuCN Copper cyanide 3ΠCs
1004 ZnCN Zinc monocyanide 2ΣC∞v
1005 ZnNC Zinc isocyanide 2ΣC∞v
1006 AlCN Aluminum monocyanide   
1007 AlNC Aluminum isocyanide   
1008 CN2 3H-Diazirin-3-ylidene 1A1C2v
1009 CNN Diazocarbene   
1010 NCN Cyanoimidogen 3ΣgD∞h
1011 NCN Cyanoimidogen 1ΣgD∞h
1012 N3 azide radical 2ΠgD∞h
1013 N3- azide anion 1ΣGD∞h
1014 N3+ azide cation 3ΣgD∞h
1015 HCCN cyanomethylene 3A"Cs
1016 HCCN cyanomethylene 3ΣC∞v
1017 HN3 hydrogen azide 1A'Cs
1018 HN3+ Hydrazoic acid cation   
1019 HNCNH diiminomethane 1AC2
1020 CH2N2 diazirine 1A1C2v
1021 CH2NN diazomethane 1A1C2v
1022 NH2CN cyanamide 1A'Cs
1023 NH2CN cyanamide 1A1C2v
1024 HNNNH+ 1,2-Triazadienium   
1025 NH2NN+ hydrazoic acid, protonated   
1026 CH3CN Acetonitrile 1A1C3v
1027 CH3CN- acetonitrile anion 2EC3v
1028 CH3CN- acetonitrile anion 2A'Cs
1029 CH3CN+ Acetonitrile cation 2EC3v
1030 CH3CN+ Acetonitrile cation 2A"Cs
1031 CH3NC methyl isocyanide 1A1C3v
1032 CHNCH2 2H-Azirine   
1033 CHNHCH 1H-Azirine   
1034 H2CCNH Ethenimine   
1035 H2CNCH methyleneaminomethylene   
1036 HCCNH2 Ethynamine   
1037 HCNCH2+ 2H-Azirine cation   
1038 HNCNH2+ diiminomethane, protonated 1A'Cs
1039 NCNH3+ Cyanamide, protonated 1A1C3v
1040 NH2CNH+ cyanamide, cn protonated   
1041 NH3CN+ cyanamide, amine protonated   
1042 CH2CHNH vinylazine 2A"CS cis
1043 CH2CHNH vinylazine 2A"CS trans
1044 CH3CHN methylmethaniminyl radical 2A'Cs
1045 NHCHNH2 aminomethanimine 1AC1
1046 C2H5N Aziridine 1A'C1
1047 CH2CHNH2 aminoethene 1AC1
1048 CH2NCH3 N-methylmethanimine 1A'Cs
1049 CH3CHNH ethanimine 1A'CS NH up
1050 CH3CHNH ethanimine 1A'CS NH down
1051 C2H5NH+ Protonated Aziridine 1A1C2v
1052 C2H6N+ aziridine, protonated 1A1C2v
1053 NH2CH2NH2 diaminomethane 1A1C2v
1054 NH2CH2NH2 diaminomethane 1AC2
1055 CH3CH2NH2 Ethylamine 1A'Cs
1056 CH3CH2NH2 Ethylamine   
1057 CH3NHCH3 Dimethylamine 1A'Cs
1058 CH3PHCH3 dimethylphosphine 1A'Cs
1059 (CH3)2NH2+ dimethylammonium cation 1A1C2v
1060 CH3CH2NH3+ ethylamine, protonated 1A'Cs
1061 Li2O dilithium oxide 1ΣgD∞h
1062 Li2O+ dilithium oxide cation 2ΠD∞h
1063 Li2S dilithium sulfide 1ΣGD∞h
1064 Li2S dilithium sulfide 1A1C2v
1065 Na2O disodium monoxide 1ΣgLinear
1066 Na2O disodium monoxide 1A1C2v
1067 Na2S Sodium sulfide   
1068 Na2S Sodium sulfide   
1069 LiO2 Lithium dioxide   
1070 NaO2 Sodium superoxide   
1071 CCO Dicarbon monoxide 3ΣC∞v
1072 CCO Dicarbon monoxide 1ΠC∞v
1073 CNO- fulminate 1ΣC∞v
1074 NCO isocyanato radical 2ΠC∞v
1075 NCO- cyanate 1ΣC∞v
1076 SCN thiocyanato radical 2ΠC∞v
1077 SCN- thiocyanide anion 1ΣC∞v
1078 BO2 Boron dioxide 2A'D∞h
1079 BO2- Boron dioxide anion 1ΣgD∞h
1080 BO2+ Boron dioxide cation 3ΣgD∞h
1081 BO2+ Boron dioxide cation 1ΠgD∞h
1082 N2O Nitrous oxide 1ΣC∞v
1083 N2O- Nitrous oxide anion 2A'Cs
1084 N2O+ Nitrous oxide cation 2ΠC∞v
1085 NNS Nitrogen sulfide 1ΣC∞v
1086 PPO Phosphorus oxide phosphide 1ΣC∞v
1087 CO2 Carbon dioxide 1ΣgD∞h
1088 CO2- Carbon dioxide anion 2A1C2v
1089 CO2- Carbon dioxide anion 2ΠuD∞h
1090 CO2+ Carbon dioxide cation 2ΠgD∞h
1091 CO2+ Carbon dioxide cation 2ΠC∞v
1092 OCS Carbonyl sulfide 1ΣC∞v
1093 OCS+ Carbonyl sulfide cation 2ΠC∞v
1094 SiO2 silicon dioxide 1ΣgD∞h
1095 CS2 Carbon disulfide 1ΣgD∞h
1096 CS2- Carbon disulfide anion 2A1C2v
1097 CS2+ Carbon disulfide cation 2ΠD∞h
1098 TiO2 Titanium dioxide 1A1C2v
1099 SiS2 Silicon disulfide 1ΣGD∞h
1100 GeO2 Germanium dioxide 1ΣgD∞h
1101 OCSe Carbonyl selenide 1ΣC∞v
1102 SCSe Carbon sulfide selenide   
1103 GeS2 Germanium disulfide 1ΣGD∞h
1104 CSe2 Carbon diselenide 1A1D∞h
1105 NO2 Nitrogen dioxide 2A1C2v
1106 NO2- Nitrogen dioxide anion 1A1C2v
1107 NO2+ Nitrogen dioxide cation 1ΣGD∞h
1108 NSO sulfinyl amidogen   
1109 PO2 Phosphorus dioxide 2A1C2v
1110 PO2- Phosphorus dioxide anion 1A1C2v
1111 PO2+ Phosphorus dioxide cation 1ΣGD∞h
1112 SNO Nitrogen oxide sulfide   
1113 AsO2 Aresenic dioxide 2A1C2v
1114 O3 Ozone 1A1Cs
1115 O3- Ozone anion 2B1C2v
1116 O3- Ozone anion  Cs
1117 O3+ Ozone cation 2A1C2v
1118 SO2 Sulfur dioxide 1A1C2v
1119 SO2- Sulfur dioxide anion 2B1C2v
1120 SO2+ Sulfur dioxide cation 2A1C2v
1121 SSO Disulfur monoxide 1A'Cs
1122 S3 Sulfur trimer 1A1C2v
1123 S3 Sulfur trimer   
1124 S3- Sulfur trimer anion 2B1C2v
1125 S3+ Sulfur trimer cation 2B2C2v
1126 SeO2 Selenium dioxide 1A1C2v
1127 SeO2+ Selenium dioxide cation 2A1C2v
1128 HCCO ketenyl radical 2ΠC∞v
1129 HCCO ketenyl radical 2A"Cs
1130 HCNO fulminic acid 1ΣC∞v
1131 HCNO fulminic acid 1A'Cs
1132 HNCO Isocyanic acid 1A'Cs
1133 HOCN cyanic acid 1A'Cs
1134 HNCS Isothiocyanic acid   
1135 HSCN thiocyanic acid 1A'Cs
1136 HCO2- formate anion 1A1C2v
1137 HNNO+ Nitrous oxide, N-protonated 1A'Cs
1138 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
1139 HCOO formate neutral radical 2A'Cs
1140 HOCO Hydrocarboxyl radical 1A'cis
1141 HOCO Hydrocarboxyl radical 1A'trans
1142 HOCO+ Hydrocarboxyl cation 1A'Cs
1143 HNO2 Nitrous acid 1A'Cs
1144 HNO2+ nitrous acid cation 2A'Cs
1145 O3H+ protonated ozone 1A'Cs
1146 O3H+ protonated ozone   
1147 SO2H+ protonated sulfur dioxide 1A'Cs
1148 C2H2O Oxirene 1A1C2v
1149 CH2CO Ketene 1A1C2v
1150 CH2CO+ Ketene cation 2B1C2v
1151 HCCOH ethynol 1A'Cs
1152 CH2CS Thioketene   
1153 Be(OH)2 Beryllium hydroxide   
1154 Be(OH)2 Beryllium hydroxide   
1155 Mg(OH)2 Magnesium dihydroxide 1AgC2h
1156 Mg(OH)2 Magnesium dihydroxide 1AC2
1157 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
1158 NH2NO Nitrosamide 1AC1
1159 CH2O2 Dioxirane 1A1C2v
1160 H2COO Dioxymethyl radical 2A'Cs
1161 H2COO+ dioxymethyl cation 2A'Cs
1162 HCOOH Formic acid 1A'Cs
1163 HCOOH Formic acid   
1164 H2O3 Hydrogen trioxide 1AC2
1165 HSSSH trisulfane 1AC2
1166 HSSSH trisulfane 1A'Cs
1167 NaOCH3 Sodium methoxide 1A1C3v
1168 CH2BOH hydroxy(methylene)borane 1A'Cs
1169 BH3CO Borane carbonyl 1A1C3v
1170 CH3BO Borane, methyloxo- 1A1C3v
1171 CH2CHO Vinyloxy radical 2A"Cs
1172 CH2COH+ ketene, protonated   
1173 CH3CO Acetyl radical 2A'Cs
1174 CH3CO- Acetyl anion 1A'Cs
1175 CH3CO+ acetyl cation 1A1C3v
1176 CH2NOH formaldoxime 1A'Cs
1177 CHONH2 formamide 1A'Planar
1178 CHONH2 formamide 1ANon-Planar
1179 CNOH3 1,2-oxaziridine 1AC1
1180 HOCHNH hydroxymethylimine 1A'CS H all up
1181 HOCHNH hydroxymethylimine 1A'CS OH down
1182 HOCHNH hydroxymethylimine 1A'CS CH up
1183 CHSNH2 thioformamide   
1184 NHCHSH Methanimidothioic acid   
1185 CH2OOH CH2OOH radical 2AC1
1186 CH3OO methylperoxy radical 2A"Cs
1187 CH3OO- methylperoxy anion 1A'Cs
1188 CH3OO- methylperoxy anion 1A'Cs
1189 CH3OO+ methylperoxy cation 1A'Cs
1190 CH3OO+ methylperoxy cation 1A'CS eclipsed
1191 C2H4O Ethylene oxide 1A1C2v
1192 C2H4O+ ethylene oxide cation   
1193 CH2CHOH ethenol 1A'Cs
1194 CH3CHO Acetaldehyde 1A'Cs
1195 CH3CHO+ acetaldehyde cation   
1196 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
1197 C2H4S Thiirane 1A1C2v
1198 CH2CHSH Ethenethiol   
1199 CH3CHS Thioacetaldehyde 1A'C1
1200 H2CONH2+ protonated formamide 1A'Cs
1201 NH2CHOH+ Formamide, O-protonated   
1202 CH2(OH)2 methanediol 1AC2
1203 CH3OOH Methyl peroxide 1AC1
1204 CH3SSH Hydrogen methyl disulfide   
1205 HSCH2SH Methanedithiol   
1206 H2OH2CO water formaldehyde dimer 1AC1
1207 C2H4OH+ ethylene oxide, protonated 1A'Cs
1208 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
1209 CH2CH2OH 2-hydroxy ethyl radical 2AC1
1210 CH3CH2O Ethoxy radical 2A'Cs
1211 CH3CHOH 1-hydroxy-ethyl radical 2AC1
1212 CH3OCH2 methoxymethyl radical 2AC1
1213 NH2CH2OH aminomethanol   
1214 CH3CH2OH Ethanol 1A'Cs
1215 CH3OCH3 Dimethyl ether 1A1C2v
1216 CH3CH2SH ethanethiol 1A'Cs
1217 CH3CH2SH ethanethiol 1AC1
1218 CH3SCH3 Dimethyl sulfide 1A1C2v
1219 CH3SCH3+ dimethyl sulfide cation   
1220 CH3SeCH3 dimethylselenide 1A1C2v
1221 CH3OHH2O methanol water dimer 1A'C1
1222 H2OCH3OH water methanol dimer 1AC1
1223 CuF2 Copper difluoride 2ΠgD∞h
1224 ZnF2 Zinc difluoride 1ΣGD∞h
1225 ZnF2 Zinc difluoride 1A1C2v
1226 CNF iso cyanogen fluoride 1ΣC∞v
1227 FCN Cyanogen fluoride 1ΣC∞v
1228 ClCN chlorocyanogen 1ΣC∞v
1229 BrCN Cyanogen bromide 1ΣC∞v
1230 FBO Boron monofluoride monoxide   
1231 BeF2 Beryllium fluoride 1ΣgD∞h
1232 MgF2 Magnesium fluoride 1ΣgD∞h
1233 BeCl2 Beryllium chloride 1ΣgD∞h
1234 MgCl2 Magnesium dichloride 1ΣgC2v
1235 CaCl2 Calcium Chloride 1ΣgD∞h
1236 ZnCl2 Zinc dichloride 1ΣGD∞h
1237 ZnCl2 Zinc dichloride 1A1C2v
1238 BeBr2 Beryllium bromide   
1239 CaBr2 Calcium dibromide   
1240 CaF2 Calcium difluoride 1ΣgC2v
1241 FCO Carbonyl fluoride 2A'Cs
1242 FCO+ Carbonyl fluoride cation 1ΣC∞v
1243 ClCO carbonyl monochloride 2A'Cs
1244 ClCO carbonyl monochloride 2ΣC∞v
1245 BF2 Boron difluoride radical 2A1C2v
1246 FNO Nitrosyl fluoride 1A'Cs
1247 ClNO Nitrosyl chloride 1A'Cs
1248 FSN Thiazyl fluoride 1A'Cs
1249 OPCl Phosphorus oxychloride   
1250 BrNO Nitrosyl bromide 1A'Cs
1251 CF2 Difluoromethylene 1A1D∞h
1252 CF2 Difluoromethylene 3B1C2v
1253 CF2- Difluoromethylene anion 2B1C2v
1254 CF2+ Difluoromethylene cation 2A1C2v
1255 CFCl chlorofluoromethylene 1A'Cs
1256 SiF2 Silicon difluoride 1A1C2v
1257 SiF2 Silicon difluoride 3B1C2v
1258 SiF2+ Silicon difluoride cation 2A1C2v
1259 CCl2 dichloromethylene 1A1C2v
1260 CCl2- dichloromethylene anion 2B1C2v
1261 CCl2+ dichloromethylene cation 2A1C2v
1262 SiCl2 Dichlorosilylene 1A1C2v
1263 GeF2 Germanium difluoride 1A1C2v
1264 GeCl2 Germanium dichloride 1A1C2v
1265 CBr2 dibromomethylene 1A1C2v
1266 CBr2 dibromomethylene 3B1C2v
1267 FOO Dioxygen monofluoride radical 2A"Cs
1268 FOO+ Fluorine dioxide cation   
1269 ClOO chloroperoxy radical 2A"Cs
1270 ClOO+ chloroperoxy cation 1A'Cs
1271 OClO Chlorine dioxide 2B1D∞h
1272 OClO- Chlorine dioxide anion 1A'Cs
1273 OClO+ Chlorine dioxide cation 1A1C2v
1274 ClSO Sulfur chloride oxide 2A"Cs
1275 ClS2 Sulfur chloride 2A"Cs
1276 BrOO Bromine dioxide   
1277 OBrO Bromine dioxide radical 2B1C2v
1278 NF2 Difluoroamino radical 2B1C2v
1279 NF2+ Difluoroamino cation 1A1C2v
1280 PF2 Phosphorus difluoride   
1281 PF2+ Phosphorus difluoride cation   
1282 FClO chlorosyl fluoride 1A'Cs
1283 F2O Difluorine monoxide 1A1C2v
1284 ClOF Chlorine hypofluorite 1A'Cs
1285 SF2 sulfur difluoride 1A1C2v
1286 SF2- sulfur difluoride anion 2A'Cs
1287 SF2- sulfur difluoride anion 2ΠD∞h
1288 SF2+ sulfur difluoride cation 2B1C2v
1289 Cl2O Dichlorine monoxide 1A1C2v
1290 SCl2 Sulfur dichloride 1A1C2v
1291 SeF2 Selenium difluoride   
1292 BrOCl Bromine hypochlorite 1A'Cs
1293 SeCl2 Selenium Dichloride   
1294 SBr2 Sulfur dibromide   
1295 SeBr2 Selenium dibromide   
1296 BrOBr Bromine oxide 1A1C2v
1297 F3- trifluoride anion 1ΣgD∞h
1298 F3- trifluoride anion 1ΣC∞v
1299 Cl3- trichloride anion 1ΣgD∞h
1300 Br3- tribromide anion   
1301 SFCl Sulfur chloride fluoride   
1302 HCCF Fluoroacetylene 1ΣC∞v
1303 HCCF+ fluoroacetylene cation 2ΠC∞v
1304 HCCCl Chloroacetylene 1ΣC∞v
1305 HCCBr bromoacetylene 1ΣC∞v
1306 HFCO formyl fluoride 1A'Cs
1307 COHCl Formyl chloride 1A'Cs
1308 COHBr Formyl bromide 1A'Cs
1309 BHF2 Difluoroborane 1A1C2v
1310 BHCl2 Borane, dichloro- 1A1C2v
1311 CHCl2 dichloromethyl radical 2B1C2v
1312 CHF2 difluoromethyl radical 2ACs
1313 CHF2+ difluoromethyl cation   
1314 CHFCl Chlorofluoromethyl radical   
1315 CHFCl+ Chlorofluoromethyl cation   
1316 CHCl2+ dichloromethyl cation   
1317 CHBr2 dibromomethyl radical   
1318 HOClO Chlorous acid 1AC1
1319 HOClO Chlorous acid 1A'Cs
1320 NHF2 difluoramine   
1321 NHCl2 dichloroamine   
1322 CH2F2 Methane, difluoro- 1A1C2v
1323 CH2FCl fluorochloromethane 1A'Cs
1324 SiH2F2 difluorosilane   
1325 CH2Cl2 Methylene chloride 1A1C2v
1326 CH2BrF Methane, bromofluoro- 1A'Cs
1327 CH2BrCl Methane, bromochloro- 1A'Cs
1328 CH2Br2 dibromomethane 1A1C2v
1329 SiH2Cl2 dichlorosilane 1A1C2v
1330 CH3MgBr Methyl Magnesium Bromide   
1331 CH2CHF Ethene, fluoro- 1A'Cs
1332 CH2CHF+ fluoroethene cation 2A"Cs
1333 C2H3Cl Ethene, chloro- 1A'Cs
1334 C2H3Br vinyl bromide 1A'Cs
1335 CH2FOH fluoromethanol   
1336 CH3OCl methyl hypochlorite 1A'Cs
1337 CH2CH2Cl 2-chloroethyl radical 2A'Cs
1338 CHClCH3 1-chloroethyl radical 2AC1
1339 C2H5F fluoroethane 1A'Cs
1340 CH3CH2Cl Ethyl chloride 1A'Cs
1341 C2H5Br Ethyl bromide 1A'Cs
1342 KrF2 Krypton difluoride 1ΣGD∞h
1343 B4H10 Tetraborane(10) 1A1C2v
1344 C4 Carbon tetramer 3ΣgD∞h
1345 C4 Carbon tetramer   
1346 C4+ Carbon tetramer cation 2ΠgD∞h
1347 C4H2 Diacetylene 1ΣgD∞h
1348 C4H2+ diacetlyene cation 2ΠgD∞h
1349 C2H3CCH 1-Buten-3-yne 1A'C1
1350 C4H4 cyclobutadiene 1AgD2h
1351 C4H4 cyclobutadiene 1A1gD4h
1352 C4H4 Tetrahedrane   
1353 H2CCCCH2 Butatriene 1AgD2h
1354 C4H6 1-Methylcyclopropene 1AC1
1355 C4H6 Cyclobutene 1A1C2v
1356 C4H6 Methylenecyclopropane 1A1C2v
1357 CH2CCHCH3 1,2-Butadiene 1A'C1
1358 CH2CHCHCH2 1,3-Butadiene 1AgC2h
1359 CH2CHCHCH2 1,3-Butadiene 1AC2
1360 CH3CCCH3 2-Butyne 1A1'D3h
1361 CHCCH2CH3 1-Butyne 1A'Cs
1362 CH3CHCHCH2 methylallyl radical 2A"Cs
1363 C4H8 methylcyclopropane 1A'Cs
1364 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
1365 CH2CHCH2CH3 1-Butene 1AC1
1366 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
1367 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
1368 Al(CH3)3 trimethyl aluminum 1A'C3h
1369 C(CH3)3 Tert-butyl radical 2A"C3v
1370 CH2CH(CH3)2 Isobutyl radical 2A'C1
1371 CH3CHCH2CH3 2-Butyl radical 1AC1
1372 CH3CH(CH3)CH3 Isobutane 1A1C3v
1373 CH3CH2CH2CH3 Butane 1AgAnti
1374 CH3CH2CH2CH3 Butane 1AGauche
1375 SiH(CH3)3 trimethylsilane 1A1C3v
1376 Li3N trilithium nitride 1A'D3h
1377 Li3N trilithium nitride 1A1C3v
1378 C2N2 Cyanogen 1ΣgD∞h
1379 C2N2+ Cyanogen cation 2ΠgD∞h
1380 P4 Phosphorus tetramer 1A1Td
1381 As4 Arsenic tetramer 1A1Td
1382 HCCCN Cyanoacetylene 1ΣC∞v
1383 HCCCN+ Cyanoacetylene cation 2ΠC∞v
1384 H2CNCN cyanamide, methylene   
1385 HNCCNH Ethenediimine   
1386 C3H3N acrylonitrile 1A'Cs
1387 C3H3N+ acrylonitrile cation 2A"Cs
1388 CH3N3 methyl azide 1A'Cs
1389 NH2CCNH2 Diaminoacetylene 1AC2
1390 NH2CH2CN Aminoacetonitrile 1A'Cs
1391 CH3NHN2+ methyl azide, protonated 1AC1
1392 C2H5CN ethyl cyanide 1A'Cs
1393 CH5N3 Guanidine 1AC1
1394 C4H6 Bicyclo[1.1.0]butane 1A1C2v
1395 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
1396 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1AC2
1397 H2NCHCHNH2 diaminoethylene   
1398 CH6N3+ guanidinium 1A1'D3h
1399 CH6N3+ guanidinium 1A1D3
1400 C3H7N Cyclopropylamine 1A'C1
1401 CH7N3 triaminomethane   
1402 C4H8 cyclobutane 1A1D2d
1403 C2H8N2 Ethylenediamine 1AgC2h
1404 CH3NHNHCH3 dimethyl hydrazine 1AC2
1405 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
1406 N(CH3)3 Trimethylamine 1A1C3v
1407 NH2CH2CH2CH3 1-Propanamine 1A'Cs
1408 P(CH3)3 trimethylphosphine 1A1C3v
1409 N(SiH3)3 trisilylamine   
1410 As(CH3)3 trimethyl arsine 1A1C3v
1411 (CH3)3NH+ protonated trimethyl amine   
1412 C3H7NH3+ n-propylamine, protonated 1A'Cs
1413 K2O2 dipotassium dioxide   
1414 C3O Tricarbon monoxide 1ΣC∞v
1415 B2O2 Diboron dioxide 1ΣgD∞h
1416 ONNO NO dimer 1Agtrans C2H
1417 ONNO NO dimer 1A1cis C2V
1418 S2N2 Disulfur dinitride 1AGD2h
1419 CO3 Carbon trioxide 1A1C2v
1420 CO3-- carbonate 1A1'D3h
1421 CS3-- Carbonotrithioate   
1422 NO3 Nitrogen trioxide 2A1'all bonds equal
1423 NO3 Nitrogen trioxide 2B2one short, two long
1424 NO3 Nitrogen trioxide 2B2one long, two short
1425 NO3- nitrate anion 1A1'D3h
1426 NO3+ nitrogen trioxide cation 1A1C2v
1427 NO3+ nitrogen trioxide cation 1A1'D3h
1428 SO3 Sulfur trioxide 1A1'D3h
1429 SO3- Sulfur trioxide anion 2A1pyramidal
1430 SO3- Sulfur trioxide anion 2A2"planar
1431 SO3-- Sulfate dianion   
1432 SO3+ Sulfur trioxide cation 2A2'D3h
1433 SeO3 selenium trioxide 1A1'D3h
1434 SeO3 selenium trioxide 1A1C2v
1435 S4 Sulfur tetramer   
1436 S4 Sulfur tetramer   
1437 S4 Sulfur tetramer   
1438 HCO3- bicarbonate anion 1A'Cs
1439 HNO3 Nitric acid 1A'Cs
1440 HSO3 Hydroxysulfonyl radical 2AC1
1441 NH2NO2 nitramide 1A'Cs
1442 C3H2O Propadienal   
1443 C3H2O Propadienal   
1444 C2H2O2 Ethanedial 1AgC2h
1445 C2H2O2+ Ethanedial cation 2AGC2h
1446 H2CO3 Carbonic acid 1A1C2v
1447 H2NO3+ Nitric Acid, Protonated 1A1C2v
1448 H2SO3 Sulfurous acid 1A'Cs
1449 H2SO3 Sulfurous acid 1A'Cs
1450 C2H3NO Nitrosoethylene   
1451 CH3NCO methylisocyante   
1452 HOCH2CN cyanomethanol   
1453 CH3COO- acetate anion 1A'eclipsed
1454 CH3COO- acetate anion  offset. at
1455 CH3NO2 Methane, nitro- 1A'Cs
1456 CH3ONO Methyl nitrite 1A'C1
1457 NH2COOH Carbamic acid 1A'Cs
1458 NH2COOH Carbamic acid 1AC1
1459 H3BO3 Boric acid 1A'C3h
1460 H3AlO3 Aluminum hydroxide   
1461 H3CO3+ carbonic acid, protonated 1A'C3h
1462 C3H4O 2-Propyn-1-ol 1A'Cs
1463 C3H4O allenol 1A'Cs
1464 C3H4O Cyclopropanone 1A1C2v
1465 C3H4O Methylketene 1A'Cs
1466 CH2CHCHO Acrolein 1A'Cs
1467 CH2CHCHO Acrolein   
1468 NH2CONH2 Urea 1AC2
1469 NH2CONH2 Urea 1A'Cs
1470 NH2CONH2 Urea 1A1C2v
1471 NH2CONH2+ Urea cation 2A2C2
1472 NH2CSNH2 Thiourea 1AC2
1473 C2H4O2 1,3-dioxetane 1AgD2h
1474 C2H4O2 1,3-dioxetane  C2v
1475 CH3COOH Acetic acid 1A'Cs
1476 CH3OCHO methyl formate 1A'Cs
1477 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
1478 NH2COOH2+ Carbamic acid, O-protonated 1AC1
1479 NH3COOH+ protonated Carbamic acid 1A'Cs
1480 H2OHCOOH Water formic acid dimer 1 1AC1
1481 H2OHCOOH Water formic acid dimer 2 1AC1
1482 HCOOHH2O Formic acid water dimer 1AC1
1483 HOCH2OOH hydroxy methyl peroxide 1AC1
1484 CH3COCH2 Acetonyl radical 2A"Cs
1485 CH2C(OH)NH2 1-amino vinyl alchohol   
1486 CH3C(OH)=NH Ethaninidic acid   
1487 CH3CHNOH Acetaldoxime 1A'CS trans
1488 CH3CHNOH Acetaldoxime 1A'CS cis
1489 CH3CONH2 Acetamide 1A'C1
1490 HCONHCH3 N-methylformamide 1A'CS cis
1491 HCONHCH3 N-methylformamide 1A'CS trans
1492 CH3CSNH2 Ethanethioamide   
1493 CH5N2O+ urea, N-protonated 1A'Cs
1494 H2NCOHNH2+ urea, protonated 1A'Cs
1495 C2H5OO ethylperoxy radical 2A'Cs
1496 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
1497 C3H5OH Cyclopropanol 1AC1
1498 C3H6O 2-Propen-1-ol 1AC1
1499 C3H6O 2-Propen-1-ol 1A'Cs
1500 C3H6O Acetone enol 1A'Cs
1501 C3H6O Oxetane 1A1C2v
1502 C3H6O Propylene oxide 1AC1
1503 CH3CH2CHO Propanal 1A'Cs
1504 CH3COCH3 Acetone 1A1C2v
1505 CH3COCH3 Acetone 1AC2
1506 CH3COCH3 Acetone 3A"Cs
1507 CH3COCH3- acetone anion 2A'Cs
1508 C3H6S Thietane 1A'Cs
1509 C3H6S Thiirane, methyl- 1AC1
1510 CH3CSCH3 Thioacetone 1A1C2v
1511 C2H6O2 1,2-Ethanediol 1AgC2h
1512 CH3OOCH3 dimethylperoxide 1AgC2h
1513 CH3OOCH3 dimethylperoxide 1AC2
1514 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
1515 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
1516 CH3SSCH3 Disulfide, dimethyl 1AC2
1517 HOCH2CH2NH2 monoethanolamine 1A'Cs
1518 HOCH2CH2NH2 monoethanolamine 1AC1 OH out
1519 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
1520 C3H7OH 1-Propanol 1A'Cs
1521 C3H7OH 1-Propanol   
1522 CH3CHOHCH3 Isopropyl alcohol 1AC1
1523 CH3OC2H5 Ethane, methoxy- 1A'Cs
1524 C3H7SH 1-Propanethiol 1A'Cs
1525 CH3CHSHCH3 2-Propanethiol 1A'Cs
1526 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
1527 H2OCH3OCH3 water dimethylether dimer 1AC1
1528 Li2F2 Lithium fluoride dimer   
1529 Na2Cl2 Disodium dichloride 1AgC2h
1530 C2F2 difluoroacetylene 1ΣgD∞h
1531 C2Cl2 dichloroacetylene 1ΣgC2h
1532 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
1533 FNO2 Nitryl fluoride 1A1C2v
1534 FONO Nitrosyl hypofluorite 1A'CS cis
1535 ClNO2 Nitryl chloride 1A1C2v
1536 ClONO chlorine nitrite 1A'CS cis
1537 BrONO Bromine nitrite 1A'CS trans
1538 BrONO Bromine nitrite 1A'CS cis
1539 N2F2 (Z)-Difluorodiazene 1A1C2v
1540 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
1541 CF2O Carbonic difluoride 1A1C2v
1542 CF2O+ Carbonic difluoride cation   
1543 COFCl Carbonic chloride fluoride 1A'Cs
1544 CCl2O Phosgene 1A1C2v
1545 Cl2CS Thiophosgene 1A1C2v
1546 COBr2 Carbonic dibromide 1A1C2v
1547 BF3 Borane, trifluoro- 1A'D3h
1548 BF3- Borane, trifluoro- anion 2A1D3h
1549 BF3- Borane, trifluoro- anion 2A1C3v
1550 BF3+ boron trifluoride cation 2A2'D3h
1551 BF3+ boron trifluoride cation 2B2C2v
1552 BF3+ boron trifluoride cation   
1553 AlF3 Aluminum trifluoride 1A1'D3h
1554 BClF2 Chlorodifluoroborane   
1555 AlF2Cl Aluminum chloride difluoride 1A1C2v
1556 ScF3 Scandium trifluoride 1A1'D3h
1557 AlFCl2 Aluminum dichloride fluoride 1A1C2v
1558 BCl3 Borane, trichloro- 1A1'D3h
1559 BCl3+ Boron Trichloride cation   
1560 GaF3 Gallium trifluoride 1A1'D3h
1561 AlCl3 Aluminum trichloride 1A1'D3h
1562 GaCl3 Gallium trichloride 1A1'D3h
1563 BBr3 Boron tribromide 1A1'D3h
1564 ClO3- chlorate anion 1A1C3v
1565 CF3 Trifluoromethyl radical 2A1C3v
1566 CF3- Trifluoromethyl anion 1A1C3v
1567 CF3+ Trifluoromethyl cation 1A1'D3h
1568 CF2Cl difluorochloromethyl radical   
1569 SiF3 Silicon trifluoride radical 2A1C3v
1570 CFCl2 dichlorofluoromethyl radical   
1571 CCl3 Trichloromethyl radical 2A1C3
1572 CCl3- Trichloromethyl anion 1A1C3v
1573 CCl3+ Trichloromethyl cation 1A1'D3h
1574 SiCl3 trichlorosilyl radical 2A1C3v
1575 SiCl3+ trichlorosilyl cation 1A1'D3h
1576 CBr3 tribromomethyl radical   
1577 FOOF Perfluoroperoxide 1AC2
1578 ClO2F Chloryl fluoride 1A'Cs
1579 F2SO Thionyl Fluoride 1A'Cs
1580 ClOOCl Dichlorine dioxide 1AC2
1581 FSSF Difluorodisulfane 1AC2
1582 S2F2 Thio-thionyl fluoride 1A'Cs
1583 SOCl2 thionyl chloride 1A'Cs
1584 SSCl2 Thiothionyl chloride   
1585 SeOCl2 selenium oxychloride 1A'Cs
1586 NF3 Nitrogen trifluoride 1A1C3v
1587 NF3- Nitrogen trifluoride anion 2A1C3v
1588 NF3- Nitrogen trifluoride anion 2ACs
1589 NF3+ Nitrogen trifluoride cation 2A1C3v
1590 PF3 Phosphorus trifluoride 1A1C3v
1591 NCl3 nitrogen trichloride 1A1C3v
1592 AsF3 Arsenic trifluoride 1A1C3v
1593 PCl3 Phosphorus trichloride 1A1C3v
1594 AsCl3 Arsenous trichloride 1A1C3v
1595 NBr3 Nitrogen Tribromide 1A1C3v
1596 PBr3 Phosphorus tribromide 1A1C3v
1597 ClSSCl Disulfur dichloride 1AC2
1598 SF3 Sulfur trifluoride 2A'Cs
1599 SF3 Sulfur trifluoride 2B1C2v
1600 ClF3 Chlorine trifluoride 1A1'D3h
1601 ClF3 Chlorine trifluoride 1A1C2v
1602 BrF3 Bromine trifluoride 1A1C2v
1603 HClO3 Chloric Acid 1A'Cs
1604 HClO3 Chloric Acid 1AC1
1605 CHF3 Methane, trifluoro- 1A1C3v
1606 CHF2Cl difluorochloromethane 1A'Cs
1607 SiHF3 trifluorosilane   
1608 CHFCl2 fluorodichloromethane 1A'Cs
1609 CDCl3 trichloromethane-d 1A1C3v
1610 CHCl3 Chloroform 1A1C3v
1611 CHBrF2 Methane, bromodifluoro- 1A'Cs
1612 SiHCl3 Trichlorosilane 1A1C3v
1613 CHFClBr fluorochlorobromomethane 1AC1
1614 CHBrCl2 Methane, bromodichloro- 1A'Cs
1615 CHBr2F dibromofluoromethane   
1616 CHClBr2 Methane, dibromochloro- 1A'Cs
1617 CHBr3 bromoform 1A1C3v
1618 NF3H+ protonated nitrogen trifluoride 1A1C3v
1619 AsF3H+ Arsenic trifluoride, protonated   
1620 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
1621 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
1622 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
1623 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
1624 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
1625 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
1626 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
1627 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
1628 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
1629 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
1630 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
1631 CH3COF Acetyl fluoride 1A'NULL
1632 CH2ClCHO chloroacetaldehyde 1AC1 bisecting, trans
1633 CH2ClCHO chloroacetaldehyde 1A'CS eclipsed, cis
1634 CH3COCl Acetyl Chloride 1A'Cs
1635 C2H4F2 1,2-difluoroethane 1AgC2H anti
1636 C2H4F2 1,2-difluoroethane 1AC2 gauche
1637 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
1638 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
1639 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
1640 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
1641 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
1642 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
1643 CH2BrCH2Cl 1-bromo-2-chloroethane   
1644 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
1645 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
1646 CH2CHCH2F Allyl Fluoride   
1647 CH2CHCH2F Allyl Fluoride   
1648 CH3CHCHF trans-1-Fluoro-1-propene   
1649 C3H5Cl 1-Propene, 3-chloro- 1AC1
1650 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
1651 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
1652 CH2FCH2OH 2-fluoroethanol   
1653 CH2ClCH2OH 2-Chloroethanol 1A'Cs
1654 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
1655 CH2FCH2CH3 1-Fluoropropane 1A'Cs
1656 CH2FCH2CH3 1-Fluoropropane   
1657 CH3CHFCH3 2-Fluoropropane 1A'Cs
1658 CH2ClCH2CH3 Propane, 1-chloro- 1A'anti
1659 CH2ClCH2CH3 Propane, 1-chloro- 1Agauche
1660 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
1661 CH3CH2CH2Br n-propyl bromide 1A'Cs
1662 CH3CHBrCH3 i-propyl bromide 1A'Cs
1663 B5H9 pentaborane9   
1664 C5H4 pentatetraene   
1665 C5H5 cyclopentadienyl radical 2E1"D5h
1666 C5H5 cyclopentadienyl radical 2B1C2v
1667 C5H5- cylopentadienyl anion 1A1'D5h
1668 C5H6 1,3-Cyclopentadiene 1A1C2v
1669 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
1670 C5H6 3-Penten-1-yne, (E)- 1A'Cs
1671 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
1672 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
1673 C5H6 Cyclopropylacetylene 1A'C1
1674 C5H6 Propellane 1A1D3h
1675 C5H7 1,3-pentadienyl radical 2B1C2v
1676 C5H7 cyclopentenyl radical 2A2C2v
1677 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
1678 C5H8 1,2-Pentadiene 1A'C1
1679 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
1680 C5H8 1,3-Pentadiene, (E)- 1A'C1
1681 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
1682 C5H8 1,4-Pentadiene 1AC2
1683 C5H8 1-pentyne 1A'Cs
1684 C5H8 2,3-Pentadiene 1AC1
1685 C5H8 Bicyclo[1.1.1]pentane   
1686 C5H8 Cyclobutane, methylene- 1A'Cs
1687 C5H8 Cyclopentene 1A'Cs
1688 C5H8 Ethenylcyclopropane 1A'Cs
1689 C5H10 1-Butene, 2-methyl- 1AC1
1690 C5H10 2-Butene, 2-methyl- 1A'Cs
1691 C5H10 2-Pentene, (E)- 1A'Cs
1692 C5H10 2-Pentene, (Z)- 1AC1
1693 C5H10 Cyclopentane 1AC1
1694 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
1695 CH2CHCH2CH2CH3 1-pentene 1AC1
1696 CH2CHCH2CH2CH3 1-pentene 1AC1
1697 C5H11 2-Methylbut-2-yl radical 1AC1
1698 C5H12 Butane, 2-methyl- 1AC1
1699 C5H12 Pentane 1A1C2v
1700 C5H12 Propane, 2,2-dimethyl- 1A1Td
1701 Si(CH3)4 tetramethylsilane 1A1Td
1702 N2O3 Dinitrogen trioxide 1A'Cs
1703 C3H2N2 Malononitrile 1A1Cs
1704 CH2N4 1H-Tetrazole 1A'Cs
1705 C3H3N2 imidazolyl radical 2B1C2v
1706 C3H3N2- imidizolyl anion 1A1C2v
1707 C4H4N pyrrolide radical 2A2C2v
1708 C4H4N- pyrrolide anion 1A1C2v
1709 C3H4N2 1H-Imidazole 1A'Cs
1710 C3H4N2 1H-Pyrazole 1A'Cs
1711 C3H4N2 2H-Imidazole 1A1C2v
1712 C3H4N2 4H-Imidazole 1A'Cs
1713 C4H5N (E)-2-Butenenitrile 1A'Cs
1714 C4H5N (Z)-2-Butenenitrile 1A'Cs
1715 C4H5N 2H-pyrrole 1A'Cs
1716 C4H5N 3H-pyrrole 1A'Cs
1717 C4H5N Cyclopropanecarbonitrile 1A'Cs
1718 C4H5N Pyrrole 1A1C2v
1719 C4H6N+ pyrrole, alpha-protonated 1A'Cs
1720 C4H6N+ pyrrole, beta-protonated 1A'Cs
1721 C4H6N+ pyrrole, protonated 1A1C2v
1722 C3H6N2 3-Aminopropionitrile 1A'Cs
1723 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
1724 CH3CH2CH2CN Butanenitrile 1A'Cs
1725 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
1726 C5H8 Spiropentane 1A1D2d
1727 C4H9N Cyclobutylamine 1A'Cs
1728 C4H9N Pyrrolidine 1A'Cs
1729 C3H10N2 1,2-Diaminopropane 1AC1
1730 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
1731 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
1732 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
1733 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
1734 NH(C2H5)2 diethylamine 1A'Cs
1735 NC4H12+ tetramethyl ammonium cation 1A1Td
1736 C3O2 Carbon suboxide 1ΣGD∞h
1737 C3O2 Carbon suboxide 1A1C2v
1738 C3O2+ Carbon suboxide cation 2ΠUD∞h
1739 B2O3 diboron trioxide   
1740 B2O3 diboron trioxide   
1741 MgCO3 Magnesium Carbonate 1A1C2v
1742 BeCO3 Beryllium Carbonate 1A1C2v
1743 CaCO3 Calcium Carbonate 1A1C2v
1744 CaCO3 Calcium Carbonate 1A'Cs
1745 ONONO Nitrosyl nitrite 1A1C2v
1746 PO4--- phosphate 1A1Td
1747 SO4-- sulfate 1A1Td
1748 HOONO2 peroxy nitric acid 1AC1
1749 HSO4- bisulfate anion 1A'Cs
1750 C3H2O2 Propiolic acid 1A'Cs
1751 CHOCOOH oxo acetic acid 1A'Cs
1752 CHOOCHO diformyl ether   
1753 H2SO4 Sulfuric acid 1AC1
1754 H2SeO4 Selenic acid 1AC2
1755 C3H3NO Isoxazole 1A'Cs
1756 C3H3NO Oxazole 1A'Cs
1757 C3H3NS Thiazole   
1758 CH3C(O)OO acetyl peroxy radical 1A'Cs
1759 CH3NO3 Methyl nitrate 1A'Cs
1760 H3PO4 Phosphoric Acid 1AC3
1761 C4H4O Furan 1A1C2
1762 C4H4O+ Furan cation 1A1C2
1763 CH3COCCH 3-butyn-2-one 1A'Cs
1764 C4H4S Thiophene 1A1C2v
1765 C4H4Se selenophene   
1766 C3H4O2 β–Propiolactone 1A'Cs
1767 C3H4O2 2-Propenoic acid 1A'Cs
1768 C3H4O2 Methyl glyoxal 1A'Cs
1769 C3H4O2 propanedial 1AC1
1770 C3H4O2 propenalol 1A'Cs
1771 HOCHCCHOH allenediol 1AC2
1772 C2H4O3 1,2,3-trioxolane 1A'Cs
1773 C2H4O3 trioxolane124 1AC2
1774 HOCH2COOH Hydroxyacetic acid 1ACs
1775 HOCH2COOH Hydroxyacetic acid 1AC1
1776 CH2CHCONH2 Acrylamide 1ACs
1777 CH3OCH2CN Methoxyacetonitrile 1A'Cs
1778 CH3OCH2CN Methoxyacetonitrile 1AC1
1779 CH5N3S Hydrazinecarbothioamide 1AC1
1780 H2NCH2COOH Glycine 1A'Cs
1781 CH3SO2NH2 methanesulfonamide 1A'Cs
1782 C4H6O cis-2-butenal 1ACs
1783 C4H6O Cyclobutanone 1A1C2v
1784 C4H6O Furan, 2,3-dihydro- 1AC1
1785 C4H6O Furan, 2,5-dihydro- 1A1Cs
1786 CH2CHOCHCH2 Vinyl ether 1A1C2v
1787 CH2CHOCHCH2 Vinyl ether 1AC1
1788 CHOCHCHCH3 2-Butenal 1A'Cs
1789 C4H6S Thiophene, 2,3-dihydro- 1AC1
1790 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
1791 CH2CHSCHCH2 Divinyl sulfide 1AC2v
1792 C2H6N2O Urea, methyl- 1AC1
1793 C3H6O2 1,3-Dioxolane 1AC2
1794 C3H6O2 1,3-Dioxolane 1A'Cs
1795 C3H6O2 1,3-Dioxolane 1AC1
1796 CH3CH2COOH Propanoic Acid 1A'Cs
1797 CH3COOCH3 methyl acetate 1A'Cs
1798 HCOOC2H5 Ethyl formate 1A'Cs
1799 C2H6O2S Dimethyl sulfone 1A1C2v
1800 CH3SSSCH3 dimethyl trisulfide 1AC2
1801 C3H7NO dimethylformamide 1A'Cs
1802 C3H7NO dimethylformamide 1AC1
1803 C3H7NO Propanamide 1A'C1
1804 C2H3OC2H5 Ethene, ethoxy- 1AC1
1805 C4H8O Cyclobutanol 1A'C1
1806 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
1807 CH3COCH2CH3 2-Butanone 1A'Cs
1808 CH3COCH2CH3 2-Butanone 1AC1
1809 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
1810 CHOCH2CH2CH3 Butanal 1A'Cs
1811 C4H8S Thiophene, tetrahydro- 1AC1
1812 C3H8O2 1,3-Propanediol 1A1C1
1813 C3H8O2 1,3-Propanediol 1AC1
1814 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
1815 C3H8O2 Methane, dimethoxy- 1AC2
1816 C3H8O2 Methane, dimethoxy- 1A1C2v
1817 C3H8O2 Propylene glycol 1AC1
1818 C3H8S2 1,3-Propanedithiol 1A1C1
1819 C4H10O 1-Butanol 1A'Cs
1820 C4H10O 1-Butanol 1AC1
1821 C4H10O 1-Propanol, 2-methyl- 1AC1
1822 C4H10O 2-Butanol, (.+/-.)- 1AC1
1823 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
1824 C4H10O Ethanol, 1,1-dimethyl- 1AC1
1825 C4H10O Ethoxy ethane 1A1C2v
1826 C4H10O Methyl propyl ether 1AC1
1827 C4H10O Propane, 2-methoxy- 1A'Cs
1828 C4H10O+ 1-Butanol cation 1A'Cs
1829 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
1830 C2H5SC2H5 Diethyl sulfide 1A1C2v
1831 C4H9SH 1-Butanethiol   
1832 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1AC1
1833 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
1834 CH3CH(SH)CH2CH3 2-Butanethiol 1AC1
1835 FNO3 Fluorine nitrate 1A'Cs
1836 ClONO2 Chlorine nitrate 1A'Cs
1837 BrONO2 Bromine nitrate 1A'Cs
1838 TiCl4 Titanium tetrachloride 1A1Td
1839 ClO4- perchlorate anion 1A1Td
1840 BF4- tetrafluoroboron anion 1A1Td
1841 ClFO3 Perchloryl fluoride 1A1Cs
1842 SO2F2 Sulfuryl fluoride 1A1C2v
1843 SO2Cl2 Sulfuryl chloride 1A1C2v
1844 F3NO Nitrogen trifluoride oxide 1A1C3v
1845 F3PO Phosphoryl fluoride 1A1C3v
1846 Cl3PO Phosphoryl chloride 1A1C3v
1847 CF4 Carbon tetrafluoride 1A1Td
1848 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1849 SiF4 Silicon tetrafluoride 1A1Td
1850 CF2Cl2 difluorodichloromethane 1A1C2v
1851 TiF4 Titanium tetrafluoride 1A1Td
1852 CFCl3 Trichloromonofluoromethane 1A1C3v
1853 CF3Br Bromotrifluoromethane 1A1C3v
1854 GeF4 Germanium tetrafluoride 1A1Td
1855 CCl4 Carbon tetrachloride 1A1Td
1856 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
1857 SiCl4 Silane, tetrachloro- 1A1Td
1858 CBrCl2F bromodichlorofluoromethane   
1859 CBrCl3 Methane, bromotrichloro- 1A1C3v
1860 CBr2F2 Methane, dibromodifluoro- 1A'C2v
1861 GeCl4 Germanium Tetrachloride 1A1Td
1862 CBr2ClF dibromochlorofluoromethane   
1863 CBr2Cl2 dibromodichloromethane 1A1C2v
1864 CFBr3 fluorotribromomethane 1A1C3v
1865 CBr3Cl tribromochloromethane 1A1C3v
1866 CBr4 Carbon tetrabromide 1A1Td
1867 SiBr4 Silicon tetrabromide 1A1Td
1868 GeBr4 Germanium tetrabromide   
1869 ClOF3 Chlorine trifluoride oxide 1A'Cs
1870 SF4 Sulfur tetrafluoride 1A1C2v
1871 SeF4 Selenium tetrafluoride   
1872 SCl4 Sulfur tetrachloride   
1873 C2HF3 Trifluoroethylene 1A'Cs
1874 C2HF3+ Trifluoroethylene cation 2A"Cs
1875 CHClCCl2 Trichloroethylene 1A'Cs
1876 CHBrCF2 1-Bromo-2,2-difluoroethylene 1A'Cs
1877 HClO4 perchloric acid 1ACs
1878 HSO3F Fluorosulfonic acid 1AC1
1879 CF3OH trifluoromethanol 1A'Cs
1880 CH2ClCCCl 1,3-dichloropropyne   
1881 CHCl2CCH 3,3-dichloropropyne   
1882 CHCl2CHO dichloroacetaldehyde 1AC1
1883 CHCl2CHO dichloroacetaldehyde   
1884 PF3CH2 phosphorane, trifluoromethylene- 1A'Cs
1885 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
1886 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
1887 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
1888 CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1A'Cs
1889 CH3CFCl2 1,1-Dichloro-1-fluoroethane 1A'Cs
1890 CH2ClCHCl2 1,1,2-trichloroethane 1AC1
1891 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
1892 SiCl3CH3 methyltrichlorosilane 1A1C3v
1893 CH3CBr3 1,1,1-tribromoethane 1A1C3v
1894 SiH3CCl3 (trichloromethyl)silane 1A1C3v
1895 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
1896 C3H5ClO Oxirane, (chloromethyl)- 1AC1
1897 CH2FCH2CH2F 1,3-difluoropropane   
1898 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
1899 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
1900 SiCl2(CH3)2 dichlorodimethylsilane 1A1C2v
1901 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
1902 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
1903 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
1904 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
1905 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1906 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
1907 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
1908 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
1909 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
1910 CH2ClCH2CH2CH3 Butane, 1-chloro- 1A'Cs
1911 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
1912 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
1913 C2H2N2O Furazan   
1914 CF3PH2 phosphine, (trifluoromethyl)- 1A'Cs
1915 NH3BF3 Amminetrifluoroboron 1A1C3v
1916 C6H2 hexatriyne 1ΣgD∞h
1917 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
1918 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
1919 C6H4 Benzyne 1A1C2v
1920 C6H5 phenyl 2A1C2v
1921 C6H5- phenyl anion 1A1C2v
1922 C6H6 Prismane   
1923 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1924 C6H6 2,4-Hexadiyne 1A1'D3h
1925 C6H6 2,4-Hexadiyne 1A1GD3d
1926 C6H6 Benzene 1A1gD6h
1927 C6H6 Benzvalene 1A1C2v
1928 C6H6 Dewar Benzene   
1929 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1930 C6H6 Trimethylenecycopropane 1A'D3h
1931 C6H8 (E)-hexa-1,3,5-triene 1AgCs
1932 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1933 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
1934 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
1935 C6H8 1,3-Cyclohexadiene 1AC2
1936 C6H8 1,4-Cyclohexadiene 1AgC2v
1937 C6H8 3-Methylenecyclopentene 1AC1
1938 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
1939 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
1940 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
1941 C6H10 1,3-Hexadiene, (E)- 1A'Cs
1942 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
1943 C6H10 1,4-Hexadiene, (E)- 1AC1
1944 C6H10 1,4-Hexadiene, (Z)- 1AC1
1945 C6H10 1,5-Hexadiene 1AgC2
1946 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
1947 C6H10 1-Hexyne 1A'Cs
1948 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
1949 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
1950 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
1951 C6H10 2-Hexyne 1A'C1
1952 C6H10 3-Hexyne 1A1C2v
1953 C6H10 cyclohexene 1AC2
1954 C6H10 Cyclopentene, 1-methyl- 1AC1
1955 C6H10 Cyclopentene, 3-methyl- 1AC1
1956 C6H10 Cyclopentene, 4-methyl- 1AC1
1957 C4H6(CH3)2 1,1-dimethylcyclobutane 1A'Cs
1958 C6H12 (1R,2R)-1,2-dimethylcyclobutane 1ACs
1959 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1AgC2h
1960 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1A'Cs
1961 C6H12 (E)-2-Hexene 1A'Cs
1962 C6H12 (E)-2-Hexene 1AC1
1963 C6H12 (E)-3-methylpent-2-ene 1AC1
1964 C6H12 (E)-hex-3-ene 1AGCi
1965 C6H12 (Z)-3-methylpent-2-ene 1AC1
1966 C6H12 (Z)-hex-2-ene 1AC1
1967 C6H12 (Z)-hex-2-ene 1AC1
1968 C6H12 (Z)-hex-3-ene 1AC2
1969 C6H12 2,3-dimethylbut-1-ene 1A'C2
1970 C6H12 3-methylenepentane 1AC1
1971 C6H12 cis-1,2-dimethylcyclobutane 1A'Cs
1972 C6H12 cis-1,2-dimethylcyclobutane 1AC1
1973 C6H12 cis-1,3-dimethylcyclobutane 1A1C2v
1974 C6H12 Cyclohexane 1A1gChair
1975 C6H12 Cyclohexane 1Atwist boat
1976 C6H12 Cyclopentane, methyl- 1AC1
1977 C6H12 Ethylcyclobutane 1AC1
1978 C6H12 hex-1-ene 1A'Cs
1979 C6H14 Butane, 2,2-dimethyl- 1A'C1
1980 C6H14 Butane, 2,3-dimethyl- 1AgC2h
1981 C6H14 Hexane 1AgC2h
1982 C6H14 Pentane, 2-methyl- 1AC1
1983 C6H14 Pentane, 3-methyl- 1A'Cs
1984 C4N2 2-Butynedinitrile 1ΣgD∞h
1985 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1986 C4H2N2 Fumaronitrile 1AgC2h
1987 C2H2N4 sym-tetrazine 1AgD2h
1988 C3H3N3 1,3,5-Triazine 1A1'D3h
1989 CH3N5 5-Aminotetrazole 1AC1
1990 C4H4N2 1,3-Diazine 1A1C2v
1991 C4H4N2 Pyrazine 1AgD2h
1992 C4H4N2 Pyridazine 1A1C2v
1993 C4H4N2 Succinonitrile 1AgC2h
1994 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
1995 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
1996 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
1997 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
1998 C5H5N Pyridine 1A1C2v
1999 B3N3H6 borazine 1A1'D3h
2000 C6H6 Fulvene 1A1C2v
2001 C5H6N+ Pyridinium 1A1C2v
2002 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
2003 C5H7N (E)-2-Pentenenitrile 1A'Cs
2004 C5H7N (E)-3-Pentenenitrile 1AC1
2005 C5H7N (Z)-2-Pentenenitrile 1AC1
2006 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
2007 C5H7N Cyclobutanecarbonitrile 1A'Cs
2008 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
2009 C5H9N Butanenitrile, 2-methyl- 1AC1
2010 C5H9N Pentanenitrile 1A'Cs
2011 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
2012 C6H10 Bicyclo[3.1.0]hexane 1A'Cs
2013 C5H11N Cyclopentanamine 1A'Cs
2014 C5H11N Piperidine 1A'NH equatorial
2015 C5H11N Piperidine 1A'NH axial
2016 C4H12N2 1,2-Butanediamine 1AC1
2017 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
2018 Li2CO3 Lithium Carbonate 1A1C2v
2019 Na2CO3 Sodium Carbonate 1A1C2v
2020 C2O4-- oxalate anion 1AgD2h
2021 C2O4-- oxalate anion 1A1D2d
2022 MgSO4 Magnesium Sulfate 1A1C2v
2023 N2O4 Dinitrogen tetroxide 1AgD2d
2024 C3H2O3 vinylene carbonate   
2025 C2H2O4 Oxalic Acid 1AgC2h
2026 C2H3NO3 Oxamic acid 1A'H out
2027 C2H3NO3 Oxamic acid 1A'H in
2028 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
2029 C2H4N2O2 Oxalamide 1AgC2h
2030 C2H4N2S2 Ethanedithioamide 1AGC2h
2031 C2H4CO3 Ethylene carbonate 1A1C2v
2032 C2H4CO3 Ethylene carbonate 1AC2
2033 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
2034 C3H4S3 1,3-Dithiolane-2-thione 1AC1
2035 C2H4O4 Formic acid dimer 1AGC2h
2036 C4H5NO 3-Methylisoxazole 1AC1
2037 C4H5NO Isoxazole, 5-methyl- 1AC1
2038 C4H5NS 4-Methylthiazole 1AC1
2039 C2H5NO3 Nitric acid, ethyl ester 1A'C1
2040 C5H6O 2H-Pyran   
2041 C5H6O 2-methylfuran 1AC1
2042 C5H6O 2-methylfuran 1A'Cs
2043 C5H6O 3-Methylfuran 1A'Cs
2044 C5H6O Pentadienal   
2045 C5H6S Thiophene, 2-methyl- 1A'Cs
2046 C5H6S Thiophene, 3-methyl- 1A'Cs
2047 C4H6O2 γ–Butyrolactone 1AC1
2048 C4H6O2 2,3-Butanedione 1AgC2h
2049 C4H6O2 2,3-Butanedione 1AC2
2050 C4H6O2 2,3-Butanedione 1AgCi
2051 C4H6O2 2-Propenoic acid, methyl ester 1AC1
2052 C4H6O2 Crotonic Acid 1A'Cs
2053 C4H6OS 2,3-dihydrothiophene-2-ol 1AC1
2054 C4H6OS 2,5-dihydrothiophene-3-ol 1AC1
2055 C4H6OS 4,5-dihydrothiophene-2-ol 1AC1
2056 C4H6OS 4,5-dihydrothiophene-3-ol 1AC1
2057 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
2058 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
2059 C4H6OS Vinyl sulfoxide 1A'Cs
2060 CH6N4S Carbonothioic dihydrazide 1AC2
2061 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
2062 C2H6N2O2 (E)-Azodioxymethane 1AGCi
2063 C2H6N2O2 Dimethylnitroamine 1AC1
2064 C3H6O3 1,3,5-Trioxane 1A1C1
2065 C3H6S3 1,3,5-Trithiane 1A1C3v
2066 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
2067 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
2068 C4H7NO 2-Pyrrolidinone 1AC1
2069 C4H7NO Ethoxyacetonitrile 1A'Cs
2070 C4H7NO Methacrylamide 1AC1
2071 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
2072 HCONH2CN2H4 formamide aminomethanimine dimer 1AC1
2073 C3H7ONO Propyl nitrite 1A'Cs
2074 C3H7ONO Propyl nitrite 1AC1
2075 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
2076 CH3CH(NH2)COOH Alanine 1AC1
2077 CH3NHCH2COOH Sarcosine 1AC1
2078 NH2CH2CH2COOH β–alanine 1AC1
2079 NH2COOC2H5 Urethane 1AC1
2080 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
2081 C5H8O Cyclopentanone 1AC2
2082 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
2083 C5H8O Methyl cyclopropyl ketone 1A'Cs
2084 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
2085 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
2086 NH2CONHC2H5 Urea, ethyl- 1AC1
2087 C4H8O2 1,3-Dioxane 1A'Cs
2088 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
2089 C4H8O2 1,4-Dioxane 1AgC2h
2090 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
2091 C4H8O2 Ethyl acetate 1A'Cs
2092 C4H8OS s-Ethyl thioacetate 1AC1
2093 C3H8O3 1,2,3-Propanetriol 1AC1
2094 C3H8O2S (Methylsulfonyl)ethane 1AC1
2095 C4H9NO Butanamide 1AC1
2096 C4H9NO Propanamide, 2-methyl- 1AC1
2097 C5H10O 2-Butanone, 3-methyl- 1AC1
2098 C5H10O 2H-Pyran, tetrahydro- 1A'C1
2099 C5H10O 2-methylbutyraldehyde 1AC1
2100 C5H10O 2-Pentanone 1A'Cs
2101 C5H10O 2-Pentanone 1AC1
2102 C5H10O 3-Pentanone 1A1C2v
2103 C5H10O Cyclopentanol 1AC1
2104 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
2105 C5H10O Pentanal 1A'C1
2106 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
2107 C5H10S 3-Ethylthio-1-propene 1A'C1
2108 C5H10S Cyclopentanethiol 1AC1
2109 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
2110 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
2111 C4H10O2 1,1-Dimethoxyethane 1A'Cs
2112 C4H10O2 1,3-Butanediol 1AC1
2113 C4H10O2 1,4-Butanediol 1AgC2h
2114 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
2115 C4H10OS Diethyl sulfoxide 1AC1
2116 C4H10S2 1,4-Butanedithiol 1AgC2h
2117 C4H11NO Diethylhydroxylamine 1A'Cs
2118 C5H12O 1-Butanol, 2-methyl- 1AC1
2119 C5H12O 1-Butanol, 3-methyl- 1A'Cs
2120 C5H12O 1-Pentanol 1A'Cs
2121 C5H12O 2-Butanol, 3-methyl- 1AC1
2122 C5H12O 2-Pentanol 1AC1
2123 C5H12O 3-Pentanol 1AC1
2124 C5H12O Butane, 1-methoxy- 1A'Cs
2125 C5H12O Propane, 1-ethoxy- 1A'Cs
2126 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
2127 C5H12S 1-Butanethiol, 2-methyl- 1AC1
2128 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
2129 C5H12S 1-Pentanethiol 1A'C1
2130 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
2131 C5H12S 2-Butanethiol, 3-methyl- 1AC1
2132 C5H12S Butane, 1-(methylthio)- 1A'Cs
2133 C5H12S Ethyl propyl sulfide 1A'Cs
2134 C5H12S Propane, 2-(ethylthio)- 1A'C1
2135 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
2136 C4F2 difluorobutadiyne   
2137 ClCOClCO Oxalyl chloride 1AGC2h
2138 CF3CN Acetonitrile, trifluoro- 1A1C3v
2139 CF3CN+ Acetonitrile, trifluoro- cation 2A'Cs
2140 B2F4 Diboron tetrafluoride 1AGD2h
2141 B2F4 Diboron tetrafluoride 1A1D2d
2142 B2F4 Diboron tetrafluoride 1AD2
2143 B2Cl4 Diboron tetrachloride 1A1D2
2144 B2Cl4 Diboron tetrachloride 1AC1
2145 C2F4 Tetrafluoroethylene 1AgD2h
2146 C2F4+ Tetrafluoroethylene cation 2B3uD2h
2147 C2ClF3 Ethene, chlorotrifluoro-   
2148 CF2CCl2 difluorodichloroethylene 1A1C2v
2149 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
2150 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
2151 C2Cl4 Tetrachloroethylene 1AgD2h
2152 C2Br4 tetrabromoethene   
2153 CF3OF Trifluoromethylhypofluorite 1A'Cs
2154 SiF5- silicon pentafluoride anion   
2155 SOF4 Sulfur tetrafluoride oxide 1A1C2v
2156 PF5 Phosphorus pentafluoride 1A1'D3h
2157 AsF5 Arsenic pentafluoride 1A1'D3h
2158 PCl5 Phosphorus pentachloride 1A1'C4v
2159 SF5 Sulfur pentafluoride 2A1C4v
2160 SF5 Sulfur pentafluoride 2A'Cs
2161 SF5+ pentafluoro sulfur cation 1A1'D3h
2162 BrF5 bromine pentafluoride 1A1C4v
2163 ClF5 chlorinepentafluoride 1A1C4v
2164 ClF5 chlorinepentafluoride 1A1'D3h
2165 CF3CHO trifluoroacetaldehyde 1A'Cs
2166 CCl3CHO trichloroacetaldehyde 1A'Cs
2167 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
2168 CF3CH2F 1,1,1,2-tetrafluoroethane 1A'Cs
2169 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
2170 CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1A'Cs
2171 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
2172 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
2173 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
2174 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
2175 CF3COOH trifluoroacetic acid 1A'Cs
2176 C4H3ClO Furan, 2-chloro 1A'Cs
2177 C4H3ClO Furan,3-chloro 1A'Cs
2178 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
2179 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
2180 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
2181 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
2182 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
2183 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- 1AC2
2184 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
2185 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
2186 C5H11Cl Pentane, 1-chloro- 1A'Cs
2187 C4H8O2 Butanoic acid 1AC1
2188 C6H5CH2 benzyl radical 2B1Cs
2189 C7H7 cycloheptatrienyl radical 2A2C2v
2190 C7H7 cycloheptatrienyl radical 2A"Cs
2191 C7H7+ cycloheptatrienyl cation 1A1'D7h
2192 C6H5CH3 toluene 1A'Cs
2193 C7H8 Norbornadiene 1A1C2v
2194 C7H12 Norbornane 1A1C2v
2195 C7H14 cycloheptane 1AC2
2196 C7H16 2-methylhexane 1AC1
2197 C7H16 3-methylhexane 1AC1
2198 C7H16 heptane 1A1C2v
2199 CH(CN)3 tricyanomethane   
2200 HN=C=C(CN)2 Dicyanoketenimine   
2201 C6H7N 2-Methylpyridine 1A'Cs
2202 C6H5NH2 aniline 1A'Cs
2203 C6H13N 2-Methylpiperidine 1AC1
2204 C6H13N cyclohexanamine 1AC1
2205 C6H15N triethylamine 1AC3
2206 N2O5 Dinitrogen pentoxide 1A'Cs
2207 N2O5 Dinitrogen pentoxide  C2
2208 C4H2O3 Maleic Anhydride 1A1C2v
2209 C5H4O2 4-Cyclopentene-1,3-dione 1A1C2v
2210 C5H4O2 furfural 1A'OCCO cis
2211 C5H4O2 furfural 1A'OCCO trans
2212 C6H5O phenoxy radical 2B1C2v
2213 C5H5NO 2(1H)-Pyridinone 1A'Cs
2214 C5H5NO 2(3H)-Pyridinone 1ACs
2215 C5H5NO 2(5H)-Pyridinone 1A'Cs
2216 C5H5NO 2-Pyridinol 1A'Cs
2217 C5H5NO 3(2H)-Pyridinone 1A'Cs
2218 C5H5NO 3(4H)-Pyridinone 1A'C1
2219 C5H5NO 3(6H)-Pyridinone 1A'Cs
2220 C5H5NO 3-Pyridinol 1A'Cs
2221 C5H5NO 4(1H)-Pryidinone 1A'Cs
2222 C5H5NO 4(3H)-Pryidinone 1A'Cs
2223 C5H5NO 4-Pyridinol 1A'Cs
2224 C6H5OH phenol 1A'Cs
2225 C6H6O 2,4-Cyclohexadienone 1ACs
2226 C6H6O 2,5-Cyclohexadienone 1A1C2v
2227 HO2CCHNH2CH2OH Serine 1AC1
2228 C7H10 Norbornene   
2229 C6H10O cyclohexanone 1A'Cs
2230 C6H12O hexanal 1A'Cs
2231 C6H12O Oxepane   
2232 C3H7OC3H7 di-n-propyl ether 1A1C2v
2233 C3H7OC3H7 di-n-propyl ether 1AC2
2234 F2CCCF2 tetrafluoroallene   
2235 CF3COO- trifluoro acetate anion 1A'Cs
2236 CF3COF trifluoroacetyl fluoride 1A'Cs
2237 CF3COCl trifluoroacetyl chloride 1A'Cs
2238 PF6 Hexafluorophosphate neutral 2B2C2v
2239 PF6- Hexafluorophosphate ion 1A1GOh
2240 SF6 Sulfur Hexafluoride 1A1GOh
2241 SeF6 Selenium hexafluoride 1A1GOh
2242 SF5Cl sulfur chloropentafluoride 1A1C4v
2243 CF3CHF2 pentafluoroethane 1A'Cs
2244 CF3CHFCl 1,1,1,2-tetrafluorochloroethane 1AC1
2245 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane 1A'Cs
2246 C6H5F Fluorobenzene 1A1C2v
2247 C6H5Cl chlorobenzene 1A1C2v
2248 C6H5Br bromobenzene 1A1C2v
2249 C8H6 Calicene 1A1C2v
2250 C6H5CCH phenylacetylene 1A1C2v
2251 C8H6 benzocyclobutadiene 1A1C2v
2252 C8H6 Pentalene 1AgC2h
2253 C6H5CHCH2 Styrene 1A'Cs
2254 C8H8 cubane 1A1GOh
2255 C8H8 cyclooctatetraene 1A1D2d
2256 C6H5CH2CH3 Ethylbenzene 1A'Cs
2257 CH3C6H4CH3 meta-xylene 1A'Cs
2258 CH3C6H4CH3 paraxylene 1AgC2h
2259 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
2260 C8H14 Bicyclo[2.2.2]octane 1A1D3
2261 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
2262 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3
2263 C8H18 Octane 1AGC2h
2264 C6H5CN phenyl cyanide 1A1C2v
2265 C6H12N2 Triethylenediamine 1A1'D3h
2266 C6H12N2 Triethylenediamine 1A1D3
2267 S4N4 Tetrasulfur tetranitride   
2268 S8 Octasulfur 1A1D4d
2269 C6H4O2 parabenzoquinone 1AgD2h
2270 C4H4N2O2 Uracil 1A'Cs
2271 C6H5CHO benzaldehyde 1A'Cs
2272 C6H5OCH3 Anisole 1A'Cs
2273 C5H9NO2 Proline 1AC1
2274 C6H12O2 Methyl pivalate 1AC1
2275 C6H12O2 Hexanoic acid 1A1Cs
2276 C4F4 tetrafluorcyclobutadiene 1A1GD4h
2277 C4F4 tetrafluorcyclobutadiene 1AGC2h
2278 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
2279 CF3CF2Cl pentafluorochloroethane 1A'Cs
2280 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1AgC2h
2281 CF3CFCl2 1,1-Dichlorotetrafluoroethane 1A'Cs
2282 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- 1AC1
2283 C2F6 hexafluoroethane 1A1gD3d
2284 C2Cl6 hexachloroethane 1A1gD3d
2285 C6H4F2 orthodifluorobenzene 1A1C2v
2286 C6H4F2 1,4-difluorobenzene 1AgD2h
2287 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
2288 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
2289 C6H4Cl2 1,4-dichlorobenzene   
2290 C6H5NO nitrosobenzene 1A'Cs
2291 C9H8 Indene 1A'Cs
2292 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
2293 C9H12 n-propyl benzene 1A'Cs
2294 C9H20 Nonane 1A1C2v
2295 C(CN)4 tetracyanomethane 1A1Td
2296 C5H4N4 purine 1ACs
2297 C8H7N Indole 1A'Cs
2298 C3H3N3O3 cyanuric acid 1A1'D3h
2299 C6H5NO2 Nitrobenzene 1A1C2v
2300 C6H5COOH benzoic acid 1A'Cs
2301 CH3COC6H5 acetophenone 1AC1
2302 CH3COC6H5 acetophenone 1A'Cs
2303 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1A1'D3h
2304 C3F6 hexafluoropropene   
2305 C6H3F3 Benzene trifluoride 123 1A1C2v
2306 C8H18O 1-Octanol   
2307 C10H8 Azulene 1A1C2v
2308 C10H8 Azulene 1A'Cs
2309 C10H8 naphthalene 1AgD2h
2310 C10H10 bullvalene   
2311 C10H16 adamantane 1A1Td
2312 C6N4 Tetracyanoethylene 1AGD2h
2313 C6N4- tetracyanoethylene anion 2B2GD2h
2314 C10H22 Decane 1AGC2h
2315 C4F6 perfluorobutadiene 1AgC2h
2316 C4F6 perfluorobutadiene 1AC2
2317 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1A'Cs
2318 C3F8 perfluoropropane 1A1C2v
2319 Fe(CO)5 Iron pentacarbonyl 1A1C4v
2320 Fe(CO)5 Iron pentacarbonyl 1A1'D3h
2321 Fe(C5H5)2 ferrocene 1A1'D5h
2322 B12H12-- Dodecahydrododecaborate(2-)   
2323 C12H8 Acenaphthylene 1A1C2v
2324 C12H8 biphenylene 1AgD2h
2325 C12H10 biphenyl 1AD2
2326 C12H10 Heptalene 1AC2
2327 C6H12O6 Inositol 1A1GD3d
2328 C6F6 hexafluorobenzene 1A1GD6h
2329 C13H10 Fluorene   
2330 C14H10 Anthracene 1AgD2h
2331 C14H10 Phenanthrene 1A1C2v
2332 C14H14 Bibenzyl 1AC2
2333 C12H10N2 azobenzene 1AGC2h
2334 C6H5COC6H5 benzophenone 1A1C2v
2335 C6H5COC6H5 benzophenone 1AC2
2336 C16H10 Pyrene 1AgD2h
2337 C19H16 Triphenylmethane 1AC3
2338 C24H12 Coronene 1A1GD6h
2339 C60 Buckminsterfullerene 1AGIh

Species NOT done yet
count Species Name file name problem
1 Sn Tin atom sn  
2 Sn+ Tin cation sn+  
3 SnH4 Stannane snh4  
4 Sb Antimony atom sb  
5 SbH Antimony monohydride sbh  
6 SbH3 Stibine sbh3  
7 Cr Chromium atom cr  
8 Te Tellurium atom te  
9 Te+ Tellurium atom cation te+  
10 TeH Telluryl radical teh  
11 H2Te Hydrogen Telluride h2te  
12 Mn Manganese atom mn  
13 I Iodine atom iodine  
14 I- Iodine atom anion iodine-  
15 I+ Iodine atom cation iodine+  
16 HI Hydrogen iodide hi  
17 HI+ Hydrogen iodide cation hi+  
18 H2I+ Iodonium h2i+  
19 Xe Xenon atom xe  
20 XeH+ Xenon, protonated xeh+  
21 Co Cobalt atom cobalt  
22 Ni Nickel atom ni  
23 NaK+ Sodium Potassium diatomic cation nak+  
24 SbN Antimony nitride sbn  
25 TeO Tellurium monoxide teo  
26 Te2 Tellurium diatomic te2  
27 LiI Lithium Iodide lii  
28 NaI Sodium Iodide nai  
29 KI Potassium Iodide ki  
30 ZnF+ Zinc monofluoride cation znf+  
31 AlI Aluminum monoiodide ali  
32 SbF Antimony monofluoride sbf  
33 SbCl Antimony monochloride sbcl  
34 IO Iodine monoxide io  
35 IF Iodine monofluoride if  
36 ICl Iodine monochloride icl  
37 IBr Iodine monobromide ibr  
38 I2 Iodine diatomic i2  
39 I2+ Iodine diatomic cation i2+  
40 HOI Hypoiodous acid hoi  
41 CH3I methyl iodide ch3i  
42 SiH3I Silyl Iodide sih3i  
43 C3H7+ cyclopropane, protonated c3h7+  
44 HCNN diazomethyl radical hcnn  
45 NH2BHNH2 diaminoborane nh2bhnh2  
46 NH2CH2NH3+ diaminoethane, protonated pdam  
47 SCTe Carbon sulfide Telluride scte  
48 TeO2 Tellurium Dioxide teo2  
49 CS2H+ Carbon disulfide, protonated cs2h+  
50 HNNO nitrosoazane hnno  
51 CH3NO nitrosomethane ch3no  
52 NH3CHO+ Formamide, N-Protonated nh3cho+  
53 CH3CHOH+ acetaldehyde, protonated ch3choh+  
54 ICN Cyanogen iodide icn  
55 FNS Thionitrosyl fluoride fns  
56 INO Nitrosyl iodide ino  
57 I3- triiodide i3-  
58 HFCO+ formyl fluoride cation hfco+  
59 CH2FI fluoroiodomethane ch2fi  
60 CH2ClI chloroiodomethane ch2cli  
61 CH2BrI bromoiodomethane ch2bri  
62 CH2I2 Diiodomethane ch2i2  
63 C2H3I Vinyl iodide c2h3i  
64 CH3SiFH2 fluoromethylsilane ch3sifh2  
65 C2H5I Ethyl iodide c2h5i  
66 XeF2 Xenon difluoride xef2  
67 B(CH3)3 trimethylborane bme3  
68 C3H7N Azetidine azet  
69 Li2O2 dilithium dioxide li2o2  
70 TeO3 Tellurium trioxide teo3  
71 C2H2CO cyclopropenone c2h2co  
72 HCCCHO 2-propynal hcccho  
73 H2CS3 thiocarbonic acid h2cs3  
74 CH3COHCH3+ acetone, protonated acetoneh+  
75 Na2F2 Sodium Fluoride Dimer na2f2  
76 AlBr3 Aluminum Bromide albr3  
77 ClO3 Chlorine trioxide clo3  
78 BrO3- Bromate anion bro3-  
79 SiF3+ Silicon trifluoride cation sif3+  
80 SbF3 Antimony Trifluoride sbf3  
81 SbCl3 Antimony Trichloride sbcl3  
82 AsBr3 Arsenic tribromide asbr3  
83 NI3 Nitrogen triiodide ni3  
84 PI3 Phosphorus triiodide pi3  
85 IF3 iodone trifluoride if3  
86 CHF2I difluoroiodomethane chf2i  
87 CHFClI fluorochloroiodomethane chfcli  
88 CHCl2I dichloroiodomethane chcl2i  
89 CHI3 Iodoform chi3  
90 C2H2Br2 1,1-dibromoethene c2h2br2  
91 CH2FCHO Fluoroacetaldehyde ch2fcho  
92 CH2CFCH3 2-fluoropropene 2fpro  
93 C3H9O+ trimethyl oxonium cation c3h9o+  
94 CH3CCCH2CH3 2-Pentyne 2pentyne  
95 C2H3N3 1H-1,2,4-Triazole c288880  
96 CH2CHCH2CN Allylcyanide ch2chch2cn  
97 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
98 C4H8O Furan, tetrahydro- thf  
99 CCl4+ Carbon tetrachloride cation ccl4+  
100 CF3I trifluoroiodomethane cf3i  
101 CCl3I trichloroiodomethane ccl3i  
102 CFClBrI fluorochlorobromoiodomethane cfclbri  
103 CF2I2 difluorodiiodomethane cf2i2  
104 CCl2I2 dichlorodiiodomethane ccl2i2  
105 CBr3I tribromoiododmethane cbr3i  
106 CI4 tetraiodomethane ci4  
107 SiI4 silicon tetraiodide sii4  
108 CHClCCHCl 1,3-dichloroallene chclcchcl  
109 NH3BCl3 Amminetrichloroboron nh3bcl3  
110 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
111 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
112 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
113 C4H9F 1-fluorobutane butaf1  
114 CH3CHFCH2CH3 2-fluorobutane butaf2  
115 XeF4 Xenon tetrafluoride xef4  
116 C6H6 3,4-Dimethylenecyclobutene cb34m  
117 C6H6+ Benzene cation c6h6+  
118 C6H7+ benzene, protonated c6h7+  
119 C6H12 2,3-dimethyl-but-2-ene tmeet  
120 C5H5N E-2,4-pentadienenitrile bdcn  
121 C4H4O2 2(5H)-Furanone furanone  
122 C5H12S 2-Butanethiol, 2-methyl- c1679090  
123 C2FCl3 fluorotrichloroethene c2fcl3  
124 SbCl5 Antimony pentachloride sbcl5  
125 IF5 pentafluoroiodine if5  
126 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
127 C7H8 cycloheptatriene cht  
128 C7H8 Quadricyclane qucy  
129 C6H5SH Benzenethiol phsh  
130 C5H8O2 Acetylacetone acac  
131 C4H8O2S Sulfolane sulfolane  
132 CH(C2H3)3 trivinyl methane tvm  
133 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
134 CCl3CHCl2 pentachloroethane ccl3chcl2  
135 C8H16 cyclooctane cyclooct  
136 C4O4-- squarate dianion c4o4--  
137 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
138 IF7 Iodine heptafluoride if7  
139 C6H4F2 metadifluorobenzene mdfb  
140 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
141 S2F10 disulphur decafluoride s2f10  
142 C18H12 Tetracene tetracene