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List of which calculations are completed at wB97X-D /cc-pVDZ

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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 3ΠC∞v
90 BH- boron monohydride anion 2ΠC∞v
91 BH- boron monohydride anion 4ΣC∞v
92 BH+ boron monohydride cation 2ΣC∞v
93 AlH aluminum monohydride 1ΣC∞v
94 AlH- aluminum monohydride anion 2ΠC∞v
95 AlH+ aluminum monohydride cation 2ΣC∞v
96 ScH Scandium monohydride 1ΣC∞v
97 ScH+ Scandium monohydride cation 2ΣC∞v
98 GaH Gallium monohydride 1ΣC∞v
99 GaH+ Gallium monohydride cation 2ΣC∞v
100 BH2 boron dihydride 2A1C2v
101 BH2- boron dihydride anion 3B1C2v
102 BH2- boron dihydride anion 1A1C2v
103 BH2+ Boron dihydride cation 1ΣgD∞h
104 AlH2 aluminum dihydride 2A1C2v
105 AlH2- aluminum dihydride anion 1A1C2v
106 AlH2+ aluminum dihydride cation 1ΣgD∞h
107 BH3 boron trihydride 1A1'D3h
108 BH3- boron trihydride anion 2A2"D3h
109 BH3- boron trihydride anion 2A1C3v
110 BH3+ boron trihydride cation 2E'D3h
111 BH3+ boron trihydride cation 2B2C2v
112 BH3+ boron trihydride cation  C2v
113 AlH3 aluminum trihydride 1A1'D3h
114 AlH3- aluminum trihydride anion 2A2"D3h
115 AlH3- aluminum trihydride anion  C3v
116 AlH3+ aluminum trihydride cation 2ED3h
117 AlH3+ aluminum trihydride cation 2A1C2v
118 GaH3 Gallium trihydride 1A1'D3h
119 BH4 borohydride 2B2C2v
120 BH4- borohydride anion 1A1Td
121 AlH4- Aluminum tetrahydride anion 1A1Td
122 C Carbon atom 3P0Kh
123 C Carbon atom 3P1Kh
124 C- Carbon atom anion 4SKh
125 C- Carbon atom anion 2DKh
126 C+ Carbon atom cation 2PKh
127 Si Silicon atom 3PKh
128 Si Silicon atom 1SKh
129 Si- Silicon atom anion 4SKh
130 Si+ Silicon atom cation 2PKh
131 Ti Titanium atom 3FKh
132 Ti- Titanium atom anion 4FKh
133 Ti+ Titanium atom cation 2DKh
134 Ge Germanium atom 3PKh
135 Ge- Germanium anion 4SKh
136 Ge+ Germanium cation 2PKh
137 CH Methylidyne 2Π1/2C∞v
138 CH Methylidyne 4Σ-C∞v
139 CH- methylidyne anion 3ΣC∞v
140 CH+ Methylidyne cation 1ΣC∞v
141 SiH Silylidyne 2ΠC∞v
142 SiH- silicon monohydride anion 3ΣC∞v
143 SiH+ silicon monohydride cation 1ΣC∞v
144 GeH germylidene 2ΠC∞v
145 GeH+ Germaniun monohyrdide cation 1ΣC∞v
146 CH2 Methylene 3B1C2v
147 CH2 Methylene 3ΣGD∞h
148 CH2 Methylene 1A1C2v
149 CH2- methylene anion 2B1C2v
150 CH2+ methylene cation 2A1C2v
151 CH2+ methylene cation 2ΠD∞h
152 SiH2 silicon dihydride 1A1C2v
153 SiH2 silicon dihydride 3B1C2v
154 SiH2- silicon dihydride anion 2B1C2v
155 SiH2+ silicon dihydride cation 2A1C2v
156 GeH2 germylene 1A1C2v
157 GeH2- germylene anion 2B1C2v
158 CH3 Methyl radical 2A1D3h
159 CH3- methyl anion 1A1C3v
160 CH3+ methyl cation 1A1'D3h
161 SiH3 Silyl radical 2A1C3v
162 SiH3- Silyl anion 1A1C3v
163 SiH3+ Silyl cation 1A1'D3h
164 GeH3 Germyl radical 2A1C3v
165 GeH3+ germyl cation 1A1'D3h
166 CD4 methane-d4 1A1Td
167 CH2D2 methane-d2 1A1C2v
168 CH3D methane-d 1A1C3v
169 CH4 Methane 1A1Td
170 CH4- Methane anion 2A1Td
171 CH4- Methane anion 2A1C3v
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 F+ Fluorine atom cation 1DKh
275 Cl Chlorine atom 2PKh
276 Cl- Chlorine atom anion 1SKh
277 Cl- Chlorine atom anion  Kh
278 Cl+ Chlorine atom cation 3PKh
279 Cl+ Chlorine atom cation 1DKh
280 Br Bromine atom 2PKh
281 Br- Bromine atom anion 1SKh
282 Br+ Bromine atom cation 3PKh
283 DF Hydrofluoric acid-d 1ΣC∞v
284 HF Hydrogen fluoride 1ΣC∞v
285 HF- hydrogen fluoride anion 2ΣC∞v
286 HF+ hydrogen fluoride cation 2ΠC∞v
287 DCl Hydrochloric acid-d 1ΣC∞v
288 HCl Hydrogen chloride 1ΣC∞v
289 HCl- hydrogen chloride anion 2ΣC∞v
290 HCl+ hydrogen chloride cation 2ΠC∞v
291 HBr hydrogen bromide 1ΣC∞v
292 HBr- hydrogen bromide anion 2ΣC∞v
293 HBr+ hydrogen bromide cation 2ΠC∞v
294 H2F+ dihydrogen fluoride cation 1A1C2v
295 H2Cl+ dihydrogen monochloride cation 1A1C2v
296 H2Br+ protonated hydrogen bromide 2A1C2v
297 Ne Neon atom 1SKh
298 Ne Neon atom   
299 Ne- Neon atom anion 2SKh
300 Ne+ Neon atom cation 2PKh
301 Ar Argon atom 1SKh
302 Ar- Argon atom anion 2SKh
303 Ar+ Argon atom cation 2PKh
304 Fe Iron atom 5DKh
305 Kr Krypton atom 1SKh
306 Kr+ Krypton cation 2PKh
307 HeLi+ Helium Lithium cation   
308 NeH neon hydrogen 2ΣC∞v
309 NeH+ neon hydrogen cation 1ΣC∞v
310 ArH+ Argon hydride cation 1ΣC∞v
311 KrH+ Protonated Krypton 1ΣC∞v
312 H2Ar H2 Ar dimer 1ΣC∞v
313 Li2 Lithium diatomic 1ΣgD∞v
314 Li2 Lithium diatomic 3ΣuD∞v
315 Li2- lithium diatomic anion 2ΣuD∞h
316 Li2+ lithium diatomic cation 2ΣgD∞h
317 NaLi lithium sodium 1ΣC∞v
318 NaLi- lithium sodium anion 2ΣC∞v
319 NaLi+ lithium sodium cation 2ΣC∞v
320 LiK Lithium Potassium 1ΣC∞v
321 Na2 Sodium diatomic 1ΣgD∞h
322 Na2- sodium diatomic anion 2ΣuD∞h
323 Na2+ sodium diatomic cation 2ΣgD∞h
324 NaK Sodium Potassium 1ΣC∞v
325 K2 Potassium diatomic 1ΣgD∞h
326 Cu2 Copper diatomic 1ΣgD∞h
327 LiBe Lithium Beryllium 2ΣC∞v
328 LiMg Lithium magnesium 2ΣC∞v
329 NaBe Sodium Beryllium 2ΣC∞v
330 NaMg Sodium Magnesium 2ΣC∞v
331 Be2 Beryllium diatomic 1ΣgD∞h
332 Be2 Beryllium diatomic 3ΠgD∞h
333 Be2- Beryllium diatomic anion 2ΠuD∞h
334 Be2+ Beryllium diatomic cation 2ΣuD∞h
335 BeMg Beryllium Magnesium 1ΣC∞v
336 Mg2 Magnesium diatomic 1ΣgD∞h
337 Mg2- magnesium diatomic anion 2ΠUD∞h
338 Mg2+ magnesium diatomic cation 2ΣuD∞h
339 Ca2 Calcium diatomic 1ΣGD∞h
340 LiB Lithium boride 3ΠC∞v
341 LiAl Lithium Aluminum   
342 NaAl Sodium aluminum 1ΣC∞v
343 BeB Beryllium monoboride 2ΠC∞v
344 B2 Boron diatomic 3ΣgD∞h
345 B2 Boron diatomic 1ΣgD∞h
346 B2 Boron diatomic 5ΣuD∞h
347 B2- Boron diatomic anion 4ΣgD∞h
348 B2+ Boron diatomic cation 2ΠD∞h
349 BAl Boron Aluminum 3ΣC∞v
350 Al2 Aluminum diatomic 3ΣgD∞h
351 Al2 Aluminum diatomic 1ΣgD∞h
352 Al2 Aluminum diatomic 5ΣuD∞h
353 Al2- aluminum diatomic anion 4ΣgD∞h
354 Al2+ aluminum diatomic cation 2ΣgD∞h
355 BGa Boron Gallium 3ΣC∞v
356 AlGa Aluminum Gallium 3ΣC∞v
357 AlGa Aluminum Gallium 1ΣC∞v
358 Ga2 Gallium diatomic 3Piu 
359 HBBH Diborane(2) 3ΣGD∞h
360 LiBH4 Lithium borohydride 1A1C3v
361 B2H4 Diborane(4) D2d 1A1D2d
362 HBHHBH Diborane(4) C2V 1A1C2v
363 B2H6 Diborane 1AgD2h
364 B2H6+ Diborane cation   
365 Al2H6 dialane 1AGD2h
366 Ga2H6 digallane 1AGD2h
367 LiC Lithium Carbide 4ΣC∞v
368 BeC Beryllium Carbide 3Σ-C∞v
369 CaC Calcium monocarbide   
370 BC boron monocarbide 4Σ-C∞v
371 BC boron monocarbide 2ΠC∞v
372 BC- boron monocarbide anion 3ΠuC∞v
373 BC- boron monocarbide anion 1Σg+C∞v
374 BC+ boron monocarbide cation 3ΣC∞v
375 BC+ boron monocarbide cation 1ΣC∞v
376 AlC Aluminum carbide 4ΣC∞v
377 BSi Boron silicide 4ΣC∞v
378 BSi Boron silicide 2ΣC∞v
379 C2 Carbon diatomic 1Σg+D∞h
380 C2 Carbon diatomic 3ΠuD∞h
381 C2 Carbon diatomic 1Πu 
382 C2- carbon diatomic anion 2ΣgD∞h
383 C2+ carbon diatomic cation 4ΣgD∞h
384 C2+ carbon diatomic cation 2ΠD∞h
385 SiC silicon monocarbide 3ΣC∞v
386 SiC silicon monocarbide 1ΣC∞v
387 SiC- silicon monocarbide anion 2ΣgC∞v
388 SiC+ silicon monocarbide cation 2ΠC∞v
389 Si2 Silicon diatomic 3ΣgD∞h
390 Si2 Silicon diatomic 1ΣgD∞h
391 Si2- silcon diatomic anion 2ΣgD∞h
392 Si2+ silcon diatomic cation 2ΠD∞h
393 GeC Germanium monocarbide 1ΣC∞v
394 GeC Germanium monocarbide   
395 SiGe Silicon Germanium   
396 Ge2 Germanium diatomic 3ΣgD∞h
397 Ge2 Germanium diatomic 1ΣGD∞h
398 C2H Ethynyl radical 2ΣC∞v
399 C2H- Ethynyl anion 1ΣC∞v
400 C2H+ Ethynyl cation 3ΠC∞v
401 C2H+ Ethynyl cation 1A'Cs
402 C2H+ Ethynyl cation 1ΣC∞v
403 ZnCH2 Zinc methylene 3B1C2v
404 ZnCH2 Zinc methylene 1A1C2v
405 ZnCH2 Zinc methylene 1A'Cs
406 C2H2 Acetylene 1ΣgD∞h
407 C2H2+ acetylene cation 2ΠuD∞h
408 C2H2+ acetylene cation   
409 CCH2 vinylidene 1A1C2v
410 CCH2 vinylidene 3B2C2v
411 H2CC- vinylidene anion   
412 HCCH- acetylene anion   
413 HCCH- acetylene anion   
414 Si2H2 disilyne   
415 Si2H2 disilyne   
416 Si2H2 disilyne   
417 Si2H2 disilyne   
418 CH3Li methyl lithium 1A1C3v
419 CuCH3 monomethyl copper 1A1C3v
420 ZnCH3 Zinc monomethyl 2A1C3v
421 CH2BH methyleneborane 1A1C2v
422 C2H3 vinyl 2A'Cs
423 C2H3- vinyl anion 1A'Cs
424 C2H3+ vinyl cation 1A1C2V bridging H
425 C2H3+ vinyl cation 1A1C2V HCCH2
426 C2H4 Ethylene 1AgD2h
427 C2H4- Ethylene anion 2B2gD2h
428 C2H4- Ethylene anion 2AgC2h
429 C2H4+ Ethylene cation 2B3uD2h
430 C2H4+ Ethylene cation 2B3D2
431 CH3CH methylmethylene 3A"Cs
432 CH2SiH2 silaethylene 1A1C2v
433 Si2H4 Disilene   
434 Si2H4 Disilene   
435 Si2H4 Disilene   
436 CH3BH2 methylborane 1A'Cs
437 C2H5 Ethyl radical 2A'Cs
438 C2H5- Ethyl anion 1A'Cs
439 C2H5+ Ethyl cation 1A1C2v
440 C2H5+ Ethyl cation 1A'Cs
441 C2H6 Ethane 1A1gD3d
442 C2H6 Ethane 1A1'D3h
443 C2H6+ ethane cation 2BgC2h
444 C2H6+ ethane cation 2AgCi
445 C2H6+ ethane cation 2A1gD3d
446 CH3SiH3 methyl silane 1A1C3
447 Si2H6 disilane 1EuD3d
448 GeH3CH3 methyl germane 1A1C3v
449 C2H7+ Ethane, protonated 1AC2
450 C2H7+ Ethane, protonated 1A1gD3d
451 LiN Lithium Nitride 3ΣC∞v
452 LiN Lithium Nitride 1ΣC∞v
453 LiN+ Lithium Nitride cation 4ΣC∞v
454 LiN+ Lithium Nitride cation 2ΠC∞v
455 LiP Lithium monophosphide   
456 LiP Lithium monophosphide   
457 BeN Beryllium mononitride 4ΣC∞v
458 BeN Beryllium mononitride 2ΠC∞v
459 BeN- Beryllium mononitride anion 1ΣC∞v
460 BeN+ Beryllium mononitride cation 3ΣC∞v
461 BeN+ Beryllium mononitride cation 1ΣC∞v
462 MgN Magnesium Nitride   
463 MgN Magnesium Nitride   
464 BN- boron nitride anion 2ΣC∞v
465 AlN- aluminum mononitride anion 2ΣC∞v
466 AlN+ aluminum mononitride cation 2ΠC∞v
467 BP Boron monophosphide 3ΠC∞v
468 BP Boron monophosphide 1ΣC∞v
469 AlP Aluminum monophosphide 3ΣC∞v
470 AlP Aluminum monophosphide 3ΠC∞v
471 GaN Gallium mononitride 3ΠC∞v
472 GaN Gallium mononitride 1ΣC∞v
473 GaP Gallium monophosphide 3ΣC∞v
474 GaP Gallium monophosphide 1ΣC∞v
475 GaAs Gallium arsenide 3Π 
476 GaAs Gallium arsenide 1Σ 
477 BN boron nitride 3ΠC∞v
478 BN boron nitride 1ΣC∞v
479 BN+ boron nitride cation 2ΠC∞v
480 AlN Aluminum nitride 3ΠiC∞v
481 AlN Aluminum nitride 1ΣC∞v
482 CN Cyano radical 2ΣC∞v
483 CN- cyanide anion 1ΣC∞v
484 CN+ Cyano cation 1ΣC∞v
485 CP Carbon monophosphide 2ΣC∞v
486 CP- carbon monophosphide anion 1ΣC∞v
487 CP+ carbon monophosphide cation 3ΣC∞v
488 CP+ carbon monophosphide cation 1ΣC∞v
489 SiN Silicon nitride 2ΣC∞v
490 SiN- silicon mononitride anion 1ΣC∞v
491 SiN+ silicon mononitride cation 3ΠC∞v
492 SiP Silicon monophosphide 2ΠC∞v
493 SiP- Silicon monophosphide anion 1ΣC∞v
494 SiP+ Silicon monophosphide cation 3ΣC∞v
495 SiP+ Silicon monophosphide cation 1ΣC∞v
496 TiN Titanium mononitride 2ΣC∞v
497 N2 Nitrogen diatomic 1ΣgD∞h
498 N2 Nitrogen diatomic   
499 N2- nitrogen diatomic anion 2ΠgD∞h
500 N2+ diatomic nitrogen cation 2ΣgD∞h
501 PN Phosphorus mononitride 1ΣC∞v
502 PN- phosphorus nitride anion 2ΠC∞v
503 PN+ phosphorus nitride cation 2ΠC∞v
504 P2 Phosphorus diatomic 1ΣgD∞h
505 P2- phosphorus diatomic anion 2ΠgD∞h
506 P2+ phosphorus diatomic cation 2ΠUD∞h
507 AsN Arsenic mononitride 1ΣC∞v
508 AsP Arsenic monophosphide 1ΣC∞v
509 As2 Arsenic diatomic 1ΣgD∞h
510 HNB hydrogen nitrogen boron 2ΣC∞v
511 HNC hydrogen isocyanide 1ΣC∞v
512 HCN Hydrogen cyanide 1ΣC∞v
513 HCN- Hydrogen cyanide anion 2A'Cs
514 HCN+ hydrogen cyanide cation 2ΠC∞v
515 HNC+ hydrogen isocyanide cation   
516 HCP Phosphaethyne 1ΣC∞v
517 HCP+ Phosphaethyne cation   
518 NNH Dinitrogen monohydride 2A'Cs
519 NNH+ Dinitrogen monohydride cation 1ΣC∞v
520 HPO Hydrogen phosphorus oxide 1A'Cs
521 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
522 LiNH2 lithium amide   
523 HBNH Boranimine 1ΣC∞v
524 CNH2 Aminomethylidyne radical 2B2C2v
525 CNH2+ N-protonated hydrogen isocyanide 1A1C2v
526 H2CN Dihydrogen cyanide radical 2B2C2v
527 H2CN+ hydrocyanonium cation 1A1C2v
528 HCNH methyleneazane 2A'CS cis
529 HCNH methyleneazane 2A'CS trans
530 HCNH+ N-protonated HCN 1ΣC∞v
531 H2NN Isodiazene   
532 N2H2 (E)-diazene 1AgC2h
533 N2H2 (Z)-Diazene 1A1C2v
534 N2H2+ trans-diazene cation 2AGC2h
535 CH2NH Methanimine 1A'Cs
536 CH2NH+ Methanimine cation   
537 CHNH2 aminomethylene   
538 CHNH2+ Aminocarbene cation   
539 CH2PH Phosphaethene 1A'Cs
540 BH2NH2 Boranamine   
541 CH2NH2+ methyleneamine cation 1A1C2v
542 N2H4 Hydrazine 1AC2
543 N2H4+ hydrazine cation 2AGC2h
544 P2H4 Diphosphine 1AC2
545 CH3NH2 methyl amine 1A'Cs
546 CH3PH2 Methyl phosphine 1A'Cs
547 SiH3NH2 Silane, amino   
548 N2H5+ protonated hydrazine 1A'Cs
549 BH3PH3 borane phosphine   
550 BH3NH3 borane ammonia 1A1C3v
551 CH3NH3 methyl ammonium radical 2A1C3v
552 CH3NH3+ protonated methylamine 1A1C3v
553 CH3PH3+ methyl phosphine, protonated 1A1C3v
554 NH3NH3 Ammonia Dimer 1AgC2h
555 NH3NH3 Ammonia Dimer 1A'Cs
556 N2H7+ ammonia ammonium dimer   
557 LiO lithium oxide 2ΣC∞v
558 LiO- lithium oxide anion 1ΣC∞v
559 LiO- lithium oxide anion 3ΣC∞v
560 LiO+ lithium oxide cation 3ΣC∞v
561 LiO+ lithium oxide cation 1ΣC∞v
562 LiS Lithium monosulfide 2ΠC∞v
563 LiS+ Lithium sulfide cation 3ΣC∞v
564 NaO sodium monoxide 2ΣC∞v
565 NaO- sodium oxide anion 1ΣC∞v
566 NaO+ sodium oxide cation 3ΣC∞v
567 KO Potassium monoxide 2ΣC∞v
568 KO+ Potassium monoxide cation 3ΣC∞v
569 NaS Sodium sulfide 2ΠC∞v
570 CuO Copper Monoxide 2ΠC∞v
571 LiSe Lithium monoselenide   
572 BeO beryllium oxide 1ΣC∞v
573 BeO- Beryllium monoxide anion 2ΣC∞v
574 BeO+ Beryllium monoxide cation 2ΠC∞v
575 BeS beryllium sulfide 1ΣC∞v
576 MgO magnesium oxide 1Σ+C∞v
577 MgO- magnesium oxide anion 2ΣC∞v
578 MgO+ magnesium oxide cation 2ΠC∞v
579 CaO Calcium monoxide 1ΣC∞v
580 MgS magnesium sulfide 1ΣC∞v
581 MgS- magnesium sulfide anion 2ΣC∞v
582 MgS+ magnesium sulfide cation 2ΠC∞v
583 CaS Calcium sulfide 1ΣC∞v
584 ZnO zinc monoxide 1ΣC∞v
585 ZnS Zinc sulfide 1Σ+C∞v
586 ZnS Zinc sulfide 3ΠC∞v
587 BeS- Beryllium monosulfide anion 2ΣC∞v
588 BeS+ Beryllium monosulfide cation 2ΠC∞v
589 BO boron monoxide 2ΣC∞v
590 BO- boron monoxide anion 1ΣC∞v
591 AlO Aluminum monoxide 2ΣC∞v
592 AlO- Aluminum monoxide anion 1ΣC∞v
593 AlO+ aluminum monoxide cation 1ΣC∞v
594 BS boron sulfide 2ΣC∞v
595 BS- boron monosulfide anion 1ΣC∞v
596 BS+ boron monosulfide cation 1ΣC∞v
597 AlS Aluminum sulfide 2ΣC∞v
598 AlS- aluminum monosulfide anion 1ΣC∞v
599 AlS+ aluminum monosulfide cation 1ΣC∞v
600 ScO Scandium monoxide 2ΣC∞v
601 GaO Gallium monoxide 2ΣC∞v
602 GaS Gallium monosulfide   
603 BO+ boron monoxide cation 1ΣC∞v
604 CO Carbon monoxide 1ΣC∞v
605 CO Carbon monoxide 3ΠC∞v
606 CO- carbon monoxide anion 2ΠC∞v
607 CO+ carbon monoxide cation 2ΣC∞v
608 CS carbon monosulfide 1ΣC∞v
609 CS- carbon monosulfide anion 2ΠC∞v
610 CS+ carbon monosulfide cation 2ΣC∞v
611 SiO Silicon monoxide 1ΣC∞v
612 SiO- silicon monoxide anion 2ΠC∞v
613 SiO+ silicon monoxide cation 2ΣC∞v
614 SiS silicon monosulfide 1ΣC∞v
615 SiS- silicon monosulfide anion 2ΠC∞v
616 SiS+ silicon monosulfide cation 2ΣC∞v
617 TiO Titanium monoxide 3ΔC∞v
618 CSe Carbon monoselenide 1ΣC∞v
619 CSe- Carbon monoselenide anion 2ΠC∞v
620 CSe+ Carbon monoselenide cation 2ΣC∞v
621 GeO Germanium monoxide 1ΣC∞v
622 GeO+ Germanium monoxide cation 2ΣC∞v
623 GeS Germanium monosulfide 1ΣC∞v
624 SiSe Silicon Monoselenide   
625 SiSe+ Silicon Monoselenide cation   
626 GeSe Germanium monoselenide   
627 NO Nitric oxide 2ΠC∞v
628 NO- nitric oxide anion 3ΣC∞v
629 NO- nitric oxide anion 1ΔC∞v
630 NO+ nitric oxide cation 1ΣC∞v
631 NS Mononitrogen monosulfide 2ΠC∞v
632 NS- nitrogen sulfide anion 3ΣC∞v
633 NS- nitrogen sulfide anion 1ΣC∞v
634 NS+ nitrogen sulfide cation 1ΣC∞v
635 PO Phosphorus monoxide 2ΠC∞v
636 PO- phosphorus monoxide anion 3ΣC∞v
637 PO+ phosphorus monoxide cation 1ΣC∞v
638 PS phosphorus sulfide 2ΣC∞v
639 PS- phosphorus monosulfide anion 3ΣC∞v
640 PS- phosphorus monosulfide anion 1ΣC∞v
641 PS+ phosphorus monosulfide cation 1ΣC∞v
642 VO Vanadium monoxide 4Σ- 
643 AsO Arsenic monoxide 2ΠC∞v
644 NSe Nitrogen monoselenide 2ΠC∞v
645 AsS Arsenic monosulfide 2ΠC∞v
646 PSe Phosphorus monoselenide 2ΠC∞v
647 AsSe Arsenic monoselenide 2ΠC∞v
648 O2 Oxygen diatomic 3ΣgD∞h
649 O2 Oxygen diatomic 1ΔgD∞h
650 O2 Oxygen diatomic 1Σu-D∞h
651 O2- oxygen diatomic anion 2ΠD∞h
652 O2-- dioxygen dianion   
653 O2+ diatomic oxygen cation 2ΠgD∞h
654 SO Sulfur monoxide 3ΣC∞v
655 SO Sulfur monoxide 1ΣC∞v
656 SO- sulfur monoxide anion 2ΠC∞v
657 SO+ sulfur monoxide cation 2ΠC∞v
658 S2 Sulfur diatomic 3ΣgD∞h
659 S2 Sulfur diatomic 1ΣD∞h
660 S2- sulfur diatomic anion 2ΠD∞h
661 S2+ sulfur diatomic cation 2ΠD∞h
662 SeO Selenium monoxide 3ΣC∞v
663 SeO Selenium monoxide 1?C∞v
664 SeO- selenium monoxide anion 2ΠC∞v
665 SeO+ selenium monoxide cation 2ΠC∞v
666 SeS Selenium monosulfide 3ΣC∞v
667 SeS- selenium monosulfide anion 2ΠC∞v
668 SeS+ selenium monosulfide cation 2ΠC∞v
669 Se2 Selenium diatomic 3ΣgD∞h
670 Se2 Selenium diatomic 1Σg+D∞h
671 Se2- selenium diatomic anion 2ΠD∞h
672 Se2+ selenium diatomic cation 2ΠgD∞h
673 LiOH lithium hydroxide 1ΣC∞v
674 NaOH sodium hydroxide 1ΣC∞v
675 BeOH beryllium monohydroxide 2A'Cs
676 BeOH beryllium monohydroxide 2ΣC∞v
677 MgOH magnesium hydroxide 2A'Cs
678 CaOH Calcium monohydroxide 2Σ+C∞v
679 HBO Boron hydride oxide 1ΣC∞v
680 HBS hydrogen boron sulfide 1ΣC∞v
681 COH Hydroxymethylidyne   
682 COH+ Carbon Monoxide, protonated 1ΣC∞v
683 HCO Formyl radical 2A'Cs
684 HCO- formyl anion 1A'Cs
685 HCO+ Formyl cation 1ΣC∞v
686 HCS Thioformyl radical 2A'Cs
687 HCS Thioformyl radical 2ΠC∞v
688 HCS- Thioformyl anion 1A'Cs
689 HCS- Thioformyl anion 3A"Cs
690 HCS+ Thioformyl cation 1ΣC∞v
691 HNO Nitrosyl hydride 1A'Cs
692 HNO- Nitrosyl hydride anion 2A"Cs
693 HNO+ Nitrosyl hydride cation 2A'Cs
694 NOH Hydroxyimidogen 3A"Cs
695 NOH+ O-protonated nitric oxide 2A'Cs
696 HNS Sulfur imide 1A'Cs
697 HNS- Sulfur imide anion 2ACs
698 HO2 Hydroperoxy radical 2A"Cs
699 HO2 Hydroperoxy radical 2ΠC∞v
700 HO2- Hydroperoxy anion 1A'Cs
701 HO2+ Hydroperoxy cation 3A"Cs
702 HO2+ Hydroperoxy cation 3ΣC∞v
703 HO2+ Hydroperoxy cation 1A'Cs
704 HSO+ Sulfur Monoxide, S-protonated   
705 SOH Sulfur Hydroxide   
706 SOH+ Sulfur Monoxide, protonated   
707 HS2 Thiosulfeno radical 2A"Cs
708 H2CO Formaldehyde 1A1C2v
709 H2CO- formaldehyde anion 2A'Cs
710 H2CO- formaldehyde anion   
711 H2CO+ formaldehyde cation 2B2C2v
712 HOCH hydroxycarbene 1A'CS trans
713 HOCH hydroxycarbene 1A'CS cis
714 H2CS Thioformaldehyde 1A1C2v
715 H2CS- thioformaldehyde anion   
716 H2CS- thioformaldehyde anion   
717 H2CS+ thioformaldehyde cation 2B2C2v
718 H2CSe Selenoformaldehyde   
719 H2NO nitroxide 2B1C2v
720 H2NO nitroxide 2A'Cs
721 H2O2 Hydrogen peroxide 1AC2
722 H2O2 Hydrogen peroxide 1AgC2h
723 H2O2+ Hydrogen peroxide cation 2BgC2h
724 H2O2+ Hydrogen peroxide cation 2A1C2v
725 H2OO water oxide   
726 HOSH hydrogen thioperoxide   
727 H2S2 Disulfane 1AC2
728 H2S2+ hydrogen disulfide cation 2BgC2h
729 H2Se2 hydrogen diselenide   
730 CH2OH Hydroxymethyl radical 2AC1
731 CH2OH+ hydroxymethyl cation 1A'Cs
732 CH3O Methoxy radical 2A'C1
733 CH3O- methoxy anion 1A1C3v
734 CH3O+ Methoxy cation 3A1C3v
735 CH3S thiomethoxy 2A'C3v
736 H2CSH+ Thioformaldehyde, protonated 1A'Cs
737 NH2OH hydroxylamine 1A'Cs
738 NH2OH+ Hydroxylamine cation   
739 NH3O Ammonia Oxide 1A1C3v
740 H2POH Phosphinous acid 1A1'CS trans
741 H2POH Phosphinous acid 1A1'CS cis
742 H3PO Phosphine oxide 1A1C3v
743 NH2SH Thiohydroxylamine   
744 NH2SH Thiohydroxylamine   
745 NH3S sulfidoazane   
746 H3O2+ hydrogen peroxide, protonated 1A'Cs
747 CH3OH Methyl alcohol 1A'Cs
748 CH3OH- Methyl alcohol anion 2A'Cs
749 CH3OH- Methyl alcohol anion 2A'CS eclipsed
750 CH3OH+ Methyl alcohol cation 2A"Cs
751 CH3OH+ Methyl alcohol cation 2AC1
752 CH3SH Methanethiol 1A'Cs
753 CH3SH+ Methanethiol cation 2A"Cs
754 SiH3OH silanol   
755 CH3SeH Methane selenol 1A'Cs
756 NH2OH2+ protonated hydroxylamine   
757 NH3OH+ N-protonated hydroxylamine   
758 H2OH2O water dimer 1A'Cs
759 CH3OH2+ Methanol, protonated 1A'Cs
760 CH3SH2+ protonated methylsulfide 1A'Cs
761 H2ONH3 Water Ammonia Dimer 1A'C1
762 H5O2+ Dihydroxonium ion 1AC2
763 LiF lithium fluoride 1ΣC∞v
764 LiCl lithium chloride 1ΣC∞v
765 LiCl- lithium chloride anion 2ΣC∞v
766 LiCl+ lithium chloride cation 2ΠC∞v
767 NaF sodium fluoride 1ΣC∞v
768 NaF- sodium fluoride anion 2ΣC∞v
769 NaF+ sodium fluoride cation 2ΣC∞v
770 KF Potassium Fluoride 1ΣC∞v
771 NaCl Sodium Chloride 1ΣC∞v
772 NaCl- sodium chloride anion 2ΣC∞v
773 NaCl+ sodium chloride cation 2ΠC∞v
774 KCl Potassium Chloride 1ΣC∞v
775 CuF Copper monofluoride 1ΣC∞v
776 LiBr Lithium Bromide 1ΣC∞v
777 LiBr- lithium bromide anion 2ΣC∞v
778 LiBr+ lithium bromide cation 2ΠC∞v
779 CuCl Copper monochloride 1ΣC∞v
780 NaBr Sodium Bromide 1ΣC∞v
781 NaBr- sodium bromide anion 2ΣC∞v
782 NaBr+ sodium bromide cation 2ΠC∞v
783 KBr Potassium Bromide 1ΣC∞v
784 LiF- lithium fluoride anion 2ΣC∞v
785 LiF+ lithium fluoride cation 2ΠC∞v
786 BeF Beryllium monofluoride 2ΣC∞v
787 BeF- Beryllium monofluoride anion 1ΣC∞v
788 BeF+ Beryllium monofluoride cation 1ΣC∞v
789 BeCl beryllium monochloride 2ΣC∞v
790 MgF Magnesium monofluoride 2ΣC∞v
791 MgF- magnesium fluoride anion 1ΣC∞v
792 MgF+ magnesium fluoride cation 1ΣC∞v
793 CaF Calcium monofluoride 2ΣC∞v
794 MgCl magnesium monochloride 2ΣC∞v
795 MgCl- magnesium monochloride anion 1ΣC∞v
796 MgCl+ magnesium monochloride cation 1ΣC∞v
797 CaCl calcium monochloride 2ΣC∞v
798 TiCl Titanium Monochloride 4ΣC∞v
799 ZnF Zinc monofluoride 2ΣC∞v
800 ZnF- Zinc monofluoride anion 1ΣC∞v
801 ZnCl Zinc monochloride 2ΣC∞v
802 CaBr Calcium monobromide   
803 BeCl- beryllium monochloride anion 1ΣC∞v
804 BeCl+ beryllium monochloride cation 1ΣC∞v
805 BF Boron monofluoride 1ΣC∞v
806 BF- Boron monofluoride anion 2ΠC∞v
807 BF+ Boron monofluoride cation 2ΣC∞v
808 AlF Aluminum monofluoride 1Σ+C∞v
809 AlF- Aluminum monofluoride anion 2ΠC∞v
810 AlF+ Aluminum monofluoride cation 2ΣC∞v
811 BCl boron monochloride 1ΣC∞v
812 BCl- boron monochloride anion 2ΠC∞v
813 BCl+ boron monochloride cation 2ΣC∞v
814 AlCl Aluminum monochloride 1ΣC∞v
815 AlCl- aluminum monochloride anion 2ΠC∞v
816 AlCl+ aluminum monochloride cation 2ΣC∞v
817 ScF Scandium monofluoride 1ΣC∞v
818 ScF Scandium monofluoride 3ΔC∞v
819 BBr Boron monobromide 1ΣC∞v
820 GaF Gallium monofluoride 1ΣC∞v
821 GaF+ Gallium monofluoride cation 2ΣC∞v
822 AlBr Aluminum monobromide   
823 GaCl Gallium monochloride 1ΣGC∞v
824 GaCl+ Gallium monochloride cation 2ΣC∞v
825 GaBr Gallium monobromide   
826 CF Fluoromethylidyne 2ΠC∞v
827 CF- carbon monofluoride anion 3ΣC∞v
828 CF- carbon monofluoride anion 1ΣC∞v
829 CF+ carbon monofluoride cation 1ΣC∞v
830 CCl carbon monochloride 2ΠC∞v
831 CCl- carbon monochloride anion 3ΣC∞v
832 CCl+ carbon monochloride cation 1ΣC∞v
833 SiF silicon monofluoride 2ΠC∞v
834 SiF- silicon monofluoride anion 3ΣC∞v
835 SiF- silicon monofluoride anion 1ΣC∞v
836 SiF+ silicon monofluoride cation 1ΣC∞v
837 SiCl Clorosilylidyne 2ΠC∞v
838 SiCl- silicon monochloride anion 3ΣC∞v
839 SiCl+ silicon monochloride cation 1ΣC∞v
840 CBr Carbon monobromide 2ΠC∞v
841 GeF Germanium monofluoride 2ΠC∞v
842 GeF+ Germanium monofluoride cation 1ΣC∞v
843 GeCl Germanium monochloride 2ΠC∞v
844 GeCl+ Germanium monochloride cation   
845 SiBr Silicon monobromide 2ΠC∞v
846 SiBr+ Silicon monobromide cation   
847 NF nitrogen fluoride 3ΣC∞v
848 NF nitrogen fluoride 1ΣC∞v
849 NF- nitrogen monofluorine anion 2ΠC∞v
850 NF+ nitrogen monofluoirde cation 2ΠC∞v
851 NCl nitrogen monochloride 3ΣC∞v
852 NCl nitrogen monochloride 1ΣC∞v
853 NCl- nitrogen monochloride anion 2ΠC∞v
854 NCl+ nitrogen monochloride cation 2ΠC∞v
855 PF phosphorus monofluoride 3ΣC∞v
856 PF phosphorus monofluoride 1ΔC∞v
857 PF phosphorus monofluoride 1ΣC∞v
858 PF- phosphorus monofluoride anion 2ΠC∞v
859 PF+ phosphorus monofluoride cation 2ΠC∞v
860 PCl phosphorus chloride 3ΣC∞v
861 PCl phosphorus chloride 1ΣC∞v
862 PCl- phosphorus monochloride anion 2ΠC∞v
863 PCl+ phosphorus monochloride cation 2ΠC∞v
864 AsF Arsenic monofluoride 3ΣC∞v
865 AsF Arsenic monofluoride 1ΔC∞v
866 AsF Arsenic monofluoride 1ΣC∞v
867 NBr nitrogen monobromide 3Σ-C∞v
868 AsCl Arsenic monochloride 3ΣC∞v
869 PBr Phosphorus monobromide   
870 FO Oxygen monofluoride 2ΠC∞v
871 FO- flourine oxide anion 1ΣC∞v
872 FO+ fluorine monoxide cation 3ΣC∞v
873 ClO Monochlorine monoxide 2ΠC∞v
874 ClO- chlorine monoxide anion 1ΣC∞v
875 ClO+ chlorine monoxide cation 3ΣC∞v
876 ClO+ chlorine monoxide cation 1ΣC∞v
877 SF Monosulfur monofluoride 2ΠC∞v
878 SF- sulfur monofluoride anion 1ΣC∞v
879 SF+ sulfur monofluoride cation 3ΣC∞v
880 SF+ sulfur monofluoride cation 1ΣC∞v
881 SCl sulfur monochloride 2ΠC∞v
882 SCl- sulfur monochloride anion 1ΣC∞v
883 SCl+ sulfur monochloride cation 3ΣgC∞v
884 SCl+ sulfur monochloride cation 1ΣC∞v
885 BrO Bromine monoxide 2ΠC∞v
886 BrO- Bromine monoxide anion 1ΣC∞v
887 BrO+ Bromine monoxide cation   
888 SeF Selenium monofluoride 2ΠC∞v
889 SBr Sulfur monobromide radical   
890 SBr+ Sulfur monobromide cation   
891 SeCl Selenium monochloride 2ΠC∞v
892 SeBr Selenium monobromide   
893 BrCl Bromine monochloride 1ΣC∞v
894 F2 Fluorine diatomic 1ΣgD∞h
895 F2- flourine diatomic anion 2ΣuD∞h
896 F2+ flourine diatomic cation 2ΠgD∞h
897 ClF Chlorine monofluoride 1Σ+C∞v
898 ClF- clorine monofluoride anion 2ΣC∞v
899 ClF+ clorine monofluoride cation 2ΠC∞v
900 Cl2 Chlorine diatomic 1ΣgD∞h
901 Cl2- chlorine diatomic anion 2ΣuD∞h
902 Cl2+ chlorine diatomic cation 2ΠgD∞h
903 BrF Bromine monofluoride 1ΣC∞v
904 BrF- bromine fluoride anion 2ΣC∞v
905 BrF+ bromine fluoride cation 2ΠC∞v
906 BrCl- bromine chloride anion 2ΣC∞v
907 BrCl+ bromine chloride cation 2ΠC∞v
908 Br2 Bromine diatomic 1ΣgD∞h
909 Br2- bromine diatomic anion 2ΣuD∞h
910 Br2+ bromine diatomic cation 2ΠgD∞h
911 HCF Fluoromethylene 1A'Cs
912 HCF Fluoromethylene 3A"Cs
913 HCCl Chloromethylene 1A'Cs
914 HCCl Chloromethylene 3A"Cs
915 HCCl Chloromethylene 3ΣC∞v
916 HSiF fluorosilylene   
917 HSiCl Chlorosilylene   
918 HSiBr monobromosilylene   
919 CHBr bromomethylene 1A'Cs
920 CHBr bromomethylene 3A"Cs
921 HOF Hypofluorous acid 1A'Cs
922 DOCl Hypochlorous acid-d 1A'Cs
923 HOCl hypochlorous acid 1A'Cs
924 HOCl+ hypochlorous acid cation   
925 HOBr Hypobromous acid 1A'Cs
926 HOBr+ Hypobromous acid cation 2A"Cs
927 F2H+ Fluorine, protonated 1A'Cs
928 FHF Hydrogen difluoride 2ΠD∞h
929 FHF- Hydrogen difluoride anion 1ΣgD∞h
930 ClFH+ Chlorine fluoride, F-protonated   
931 FClH+ Chlorine fluoride, Cl-protonated   
932 Cl2H+ Chlorine, protonated 1A'Cs
933 CH2Br bromomethyl radical 2A'Cs
934 CH2Br bromomethyl radical   
935 CH2F fluoromethyl radical 2ACs
936 CH2F+ fluoromethyl cation   
937 CH2Cl+ chloromethyl cation   
938 CH2Cl chloromethyl radical 2A'Cs
939 CH2Cl chloromethyl radical 2B1C2v
940 NH2F monofluoroamine 1A'Cs
941 NH2Cl chloramine 1A'Cs
942 H2F2 Hydrogen fluoride dimer 1AgCs
943 CH3F+ methyl fluoride cation   
944 CD3F methylfluoride-d3 1A1C3v
945 CH3F Methyl fluoride 1A1C3v
946 CD3Cl methyl chloride d3 1A1C3v
947 CH3Cl Methyl chloride 1A1C3v
948 CH3Cl+ Methyl chloride cation   
949 SiH3F monofluorosilane 1A1C3v
950 SiH3Cl chlorosilane 1A1C1
951 CH3Br methyl bromide 1A1C3v
952 GeH3F monofluorogermane   
953 GeH3Cl monochlorogermane   
954 SiH3Br bromosilane 1A1C3v
955 NH3Cl+ protonated monochloroammonia   
956 CH3ClH+ methyl chloride, protonated   
957 NH4Cl Ammonium chloride   
958 LiNe+ Lithium Neon cation   
959 Ne2 Neon diatomic 1ΣgD∞h
960 Ne2+ Neon diatomic cation 2ΣuD∞h
961 Ar2 Argon diatomic 1SgD∞h
962 Ar2+ Argon diatomic cation 2ΣuD∞h
963 Li3 Lithium trimer 2B2C2v
964 Li3+ Lithium trimer cation 1A1'D3h
965 C3 carbon trimer 1ΣgD∞h
966 C3 carbon trimer 1A1C2v
967 C3+ carbon trimer cation 2ΣuD∞h
968 C3+ carbon trimer cation 2B2C2v
969 SiC2 Silicon dicarbide   
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 C3H7+ cyclopropane, protonated   
989 CH3CHCH3 Isopropyl radical 2AC2
990 CH3CHCH3+ Isopropyl cation 1AC2
991 C3H8 Propane 1A1C2v
992 SiH2(CH3)2 dimethylsilane 1A1C2v
993 Si3H8 trisilane   
994 LiCN lithium cyanide 1ΣC*V LiCN
995 LiCN lithium cyanide 1A'Cs
996 LiCN lithium cyanide 1ΣC*V LiNC
997 NaCN Sodium Cyanide 1ΣC∞v
998 NaCN Sodium Cyanide 1ACs
999 NaCN Sodium Cyanide 1ΣC∞v
1000 CuCN Copper cyanide 1ΣC∞v
1001 CuCN Copper cyanide 3ΠCs
1002 ZnCN Zinc monocyanide 2ΣC∞v
1003 ZnNC Zinc isocyanide 2ΣC∞v
1004 AlCN Aluminum monocyanide   
1005 AlNC Aluminum isocyanide   
1006 CN2 3H-Diazirin-3-ylidene 1A1C2v
1007 CNN Diazocarbene   
1008 NCN Cyanoimidogen 3ΣgD∞h
1009 NCN Cyanoimidogen 1ΣgD∞h
1010 N3 azide radical 2ΠgD∞h
1011 N3- azide anion 1ΣGD∞h
1012 N3+ azide cation 3ΣgD∞h
1013 N3+ azide cation 3ΣC∞v
1014 HCCN cyanomethylene 3A"Cs
1015 HCCN cyanomethylene 3ΣC∞v
1016 HN3 hydrogen azide 1A'Cs
1017 HN3+ Hydrazoic acid cation   
1018 HNCNH diiminomethane 1AC2
1019 CH2N2 diazirine 1A1C2v
1020 CH2NN diazomethane 1A1C2v
1021 NH2CN cyanamide 1A'Cs
1022 NH2CN cyanamide 1A1C2v
1023 HNNNH+ 1,2-Triazadienium   
1024 NH2NN+ hydrazoic acid, protonated   
1025 CH3CN Acetonitrile 1A1C3v
1026 CH3CN- acetonitrile anion 2EC3v
1027 CH3CN- acetonitrile anion 2A'Cs
1028 CH3CN+ Acetonitrile cation 2EC3v
1029 CH3CN+ Acetonitrile cation 2A"Cs
1030 CH3NC methyl isocyanide 1A1C3v
1031 CHNCH2 2H-Azirine   
1032 CHNHCH 1H-Azirine   
1033 H2CCNH Ethenimine   
1034 H2CNCH methyleneaminomethylene   
1035 HCCNH2 Ethynamine   
1036 HCNCH2+ 2H-Azirine cation   
1037 HNCNH2+ diiminomethane, protonated 1A'Cs
1038 NCNH3+ Cyanamide, protonated 1A1C3v
1039 NH2CNH+ cyanamide, cn protonated   
1040 NH3CN+ cyanamide, amine protonated   
1041 CH2CHNH vinylazine 2A"CS cis
1042 CH2CHNH vinylazine 2A"CS trans
1043 CH3CHN methylmethaniminyl radical 2A'Cs
1044 NHCHNH2 aminomethanimine 1AC1
1045 C2H5N Aziridine 1A'C1
1046 CH2CHNH2 aminoethene 1AC1
1047 CH2NCH3 N-methylmethanimine 1A'Cs
1048 CH3CHNH ethanimine 1A'CS NH up
1049 CH3CHNH ethanimine 1A'CS NH down
1050 C2H5NH+ Protonated Aziridine 1A1C2v
1051 C2H6N+ aziridine, protonated 1A1C2v
1052 NH2CH2NH2 diaminomethane 1A1C2v
1053 NH2CH2NH2 diaminomethane 1AC2
1054 CH3CH2NH2 Ethylamine 1A'Cs
1055 CH3CH2NH2 Ethylamine   
1056 CH3NHCH3 Dimethylamine 1A'Cs
1057 CH3PHCH3 dimethylphosphine 1A'Cs
1058 (CH3)2NH2+ dimethylammonium cation 1A1C2v
1059 CH3CH2NH3+ ethylamine, protonated 1A'Cs
1060 Li2O dilithium oxide 1ΣgD∞h
1061 Li2O+ dilithium oxide cation 2ΠD∞h
1062 Li2S dilithium sulfide 1ΣGD∞h
1063 Li2S dilithium sulfide 1A1C2v
1064 Na2O disodium monoxide 1ΣgLinear
1065 Na2O disodium monoxide 1A1C2v
1066 Na2S Sodium sulfide   
1067 Na2S Sodium sulfide   
1068 LiO2 Lithium dioxide   
1069 NaO2 Sodium superoxide   
1070 CCO Dicarbon monoxide 3ΣC∞v
1071 CCO Dicarbon monoxide 1ΠC∞v
1072 CNO- fulminate 1ΣC∞v
1073 NCO isocyanato radical 2ΠC∞v
1074 NCO- cyanate 1ΣC∞v
1075 SCN thiocyanato radical 2ΠC∞v
1076 SCN- thiocyanide anion 1ΣC∞v
1077 BO2 Boron dioxide 2A'D∞h
1078 BO2- Boron dioxide anion 1ΣgD∞h
1079 BO2+ Boron dioxide cation 3ΣgD∞h
1080 BO2+ Boron dioxide cation 1ΠgD∞h
1081 N2O Nitrous oxide 1ΣC∞v
1082 N2O- Nitrous oxide anion 2A'Cs
1083 N2O+ Nitrous oxide cation 2ΠC∞v
1084 NNS Nitrogen sulfide 1ΣC∞v
1085 PPO Phosphorus oxide phosphide 1ΣC∞v
1086 CO2 Carbon dioxide 1ΣgD∞h
1087 CO2- Carbon dioxide anion 2A1C2v
1088 CO2- Carbon dioxide anion 2ΠuD∞h
1089 CO2+ Carbon dioxide cation 2ΠgD∞h
1090 CO2+ Carbon dioxide cation 2ΠC∞v
1091 OCS Carbonyl sulfide 1ΣC∞v
1092 OCS+ Carbonyl sulfide cation 2ΠC∞v
1093 SiO2 silicon dioxide 1ΣgD∞h
1094 CS2 Carbon disulfide 1ΣgD∞h
1095 CS2- Carbon disulfide anion 2A1C2v
1096 CS2+ Carbon disulfide cation 2ΠD∞h
1097 TiO2 Titanium dioxide 1A1C2v
1098 SiS2 Silicon disulfide 1ΣGD∞h
1099 GeO2 Germanium dioxide 1ΣgD∞h
1100 OCSe Carbonyl selenide 1ΣC∞v
1101 SCSe Carbon sulfide selenide   
1102 GeS2 Germanium disulfide 1ΣGD∞h
1103 CSe2 Carbon diselenide 1A1D∞h
1104 NO2 Nitrogen dioxide 2A1C2v
1105 NO2- Nitrogen dioxide anion 1A1C2v
1106 NO2+ Nitrogen dioxide cation 1ΣGD∞h
1107 NSO sulfinyl amidogen   
1108 PO2 Phosphorus dioxide 2A1C2v
1109 PO2- Phosphorus dioxide anion 1A1C2v
1110 PO2+ Phosphorus dioxide cation 1ΣGD∞h
1111 SNO Nitrogen oxide sulfide   
1112 AsO2 Aresenic dioxide 2A1C2v
1113 O3 Ozone 1A1Cs
1114 O3- Ozone anion 2B1C2v
1115 O3- Ozone anion  Cs
1116 O3+ Ozone cation 2A1C2v
1117 SO2 Sulfur dioxide 1A1C2v
1118 SO2- Sulfur dioxide anion 2B1C2v
1119 SO2+ Sulfur dioxide cation 2A1C2v
1120 SSO Disulfur monoxide 1A'Cs
1121 S3 Sulfur trimer 1A1C2v
1122 S3 Sulfur trimer   
1123 S3- Sulfur trimer anion 2B1C2v
1124 S3+ Sulfur trimer cation 2B2C2v
1125 SeO2 Selenium dioxide 1A1C2v
1126 SeO2+ Selenium dioxide cation 2A1C2v
1127 HCCO ketenyl radical 2ΠC∞v
1128 HCCO ketenyl radical 2A"Cs
1129 HCNO fulminic acid 1ΣC∞v
1130 HCNO fulminic acid 1A'Cs
1131 HNCO Isocyanic acid 1A'Cs
1132 HOCN cyanic acid 1A'Cs
1133 HNCS Isothiocyanic acid   
1134 HSCN thiocyanic acid 1A'Cs
1135 HCO2- formate anion 1A1C2v
1136 HNNO+ Nitrous oxide, N-protonated 1A'Cs
1137 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
1138 HCOO formate neutral radical 2A'Cs
1139 HOCO Hydrocarboxyl radical 1A'cis
1140 HOCO Hydrocarboxyl radical 1A'trans
1141 HOCO+ Hydrocarboxyl cation 1A'Cs
1142 HNO2 Nitrous acid 1A'Cs
1143 HNO2+ nitrous acid cation 2A'Cs
1144 O3H+ protonated ozone 1A'Cs
1145 O3H+ protonated ozone   
1146 SO2H+ protonated sulfur dioxide 1A'Cs
1147 C2H2O Oxirene 1A1C2v
1148 CH2CO Ketene 1A1C2v
1149 CH2CO+ Ketene cation 2B1C2v
1150 HCCOH ethynol 1A'Cs
1151 CH2CS Thioketene   
1152 Be(OH)2 Beryllium hydroxide   
1153 Be(OH)2 Beryllium hydroxide   
1154 Mg(OH)2 Magnesium dihydroxide 1AgC2h
1155 Mg(OH)2 Magnesium dihydroxide 1AC2
1156 Mg(OH)2 Magnesium dihydroxide 1ΣgD∞h
1157 NH2NO Nitrosamide 1AC1
1158 CH2O2 Dioxirane 1A1C2v
1159 H2COO Dioxymethyl radical 2A'Cs
1160 H2COO+ dioxymethyl cation 2A'Cs
1161 HCOOH Formic acid 1A'Cs
1162 HCOOH Formic acid   
1163 H2O3 Hydrogen trioxide 1AC2
1164 HSSSH trisulfane 1AC2
1165 HSSSH trisulfane 1A'Cs
1166 NaOCH3 Sodium methoxide 1A1C3v
1167 CH2BOH hydroxy(methylene)borane 1A'Cs
1168 BH3CO Borane carbonyl 1A1C3v
1169 CH3BO Borane, methyloxo- 1A1C3v
1170 CH2CHO Vinyloxy radical 2A"Cs
1171 CH2COH+ ketene, protonated   
1172 CH3CO Acetyl radical 2A'Cs
1173 CH3CO- Acetyl anion 1A'Cs
1174 CH3CO+ acetyl cation 1A1C3v
1175 CH2NOH formaldoxime 1A'Cs
1176 CH3NO nitrosomethane 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 CH3CHOH+ acetaldehyde, protonated 1A'Cs
1213 CH3OCH2 methoxymethyl radical 2AC1
1214 NH2CH2OH aminomethanol   
1215 CH3CH2OH Ethanol 1A'Cs
1216 CH3OCH3 Dimethyl ether 1A1C2v
1217 CH3CH2SH ethanethiol 1A'Cs
1218 CH3CH2SH ethanethiol 1AC1
1219 CH3SCH3 Dimethyl sulfide 1A1C2v
1220 CH3SCH3+ dimethyl sulfide cation   
1221 CH3SeCH3 dimethylselenide 1A1C2v
1222 CH3OHH2O methanol water dimer 1A'C1
1223 H2OCH3OH water methanol dimer 1AC1
1224 CuF2 Copper difluoride 2ΠgD∞h
1225 ZnF2 Zinc difluoride 1ΣGD∞h
1226 ZnF2 Zinc difluoride 1A1C2v
1227 CNF iso cyanogen fluoride 1ΣC∞v
1228 FCN Cyanogen fluoride 1ΣC∞v
1229 ClCN chlorocyanogen 1ΣC∞v
1230 BrCN Cyanogen bromide 1ΣC∞v
1231 FBO Boron monofluoride monoxide   
1232 BeF2 Beryllium fluoride 1ΣgD∞h
1233 MgF2 Magnesium fluoride 1ΣgD∞h
1234 BeCl2 Beryllium chloride 1ΣgD∞h
1235 MgCl2 Magnesium dichloride 1ΣgC2v
1236 CaCl2 Calcium Chloride 1ΣgD∞h
1237 ZnCl2 Zinc dichloride 1ΣGD∞h
1238 ZnCl2 Zinc dichloride 1A1C2v
1239 BeBr2 Beryllium bromide   
1240 CaBr2 Calcium dibromide   
1241 CaF2 Calcium difluoride 1ΣgC2v
1242 FCO Carbonyl fluoride 2A'Cs
1243 FCO+ Carbonyl fluoride cation 1ΣC∞v
1244 ClCO carbonyl monochloride 2A'Cs
1245 ClCO carbonyl monochloride 2ΣC∞v
1246 BF2 Boron difluoride radical 2A1C2v
1247 FNO Nitrosyl fluoride 1A'Cs
1248 ClNO Nitrosyl chloride 1A'Cs
1249 FNS Thionitrosyl fluoride 1A'Cs
1250 FSN Thiazyl fluoride 1A'Cs
1251 OPCl Phosphorus oxychloride   
1252 BrNO Nitrosyl bromide 1A'Cs
1253 CF2 Difluoromethylene 1A1D∞h
1254 CF2 Difluoromethylene 3B1C2v
1255 CF2- Difluoromethylene anion 2B1C2v
1256 CF2+ Difluoromethylene cation 2A1C2v
1257 CFCl chlorofluoromethylene 1A'Cs
1258 SiF2 Silicon difluoride 1A1C2v
1259 SiF2 Silicon difluoride 3B1C2v
1260 SiF2+ Silicon difluoride cation 2A1C2v
1261 CCl2 dichloromethylene 1A1C2v
1262 CCl2- dichloromethylene anion 2B1C2v
1263 CCl2+ dichloromethylene cation 2A1C2v
1264 SiCl2 Dichlorosilylene 1A1C2v
1265 GeF2 Germanium difluoride 1A1C2v
1266 GeCl2 Germanium dichloride 1A1C2v
1267 CBr2 dibromomethylene 1A1C2v
1268 CBr2 dibromomethylene 3B1C2v
1269 FOO Dioxygen monofluoride radical 2A"Cs
1270 FOO+ Fluorine dioxide cation   
1271 ClOO chloroperoxy radical 2A"Cs
1272 ClOO+ chloroperoxy cation 1A'Cs
1273 OClO Chlorine dioxide 2B1D∞h
1274 OClO- Chlorine dioxide anion 1A'Cs
1275 OClO+ Chlorine dioxide cation 1A1C2v
1276 ClSO Sulfur chloride oxide 2A"Cs
1277 ClS2 Sulfur chloride 2A"Cs
1278 BrOO Bromine dioxide   
1279 OBrO Bromine dioxide radical 2B1C2v
1280 NF2 Difluoroamino radical 2B1C2v
1281 NF2+ Difluoroamino cation 1A1C2v
1282 PF2 Phosphorus difluoride   
1283 PF2+ Phosphorus difluoride cation   
1284 FClO chlorosyl fluoride 1A'Cs
1285 F2O Difluorine monoxide 1A1C2v
1286 ClOF Chlorine hypofluorite 1A'Cs
1287 SF2 sulfur difluoride 1A1C2v
1288 SF2- sulfur difluoride anion 2A'Cs
1289 SF2- sulfur difluoride anion 2ΠD∞h
1290 SF2+ sulfur difluoride cation 2B1C2v
1291 Cl2O Dichlorine monoxide 1A1C2v
1292 SCl2 Sulfur dichloride 1A1C2v
1293 SeF2 Selenium difluoride   
1294 BrOCl Bromine hypochlorite 1A'Cs
1295 SeCl2 Selenium Dichloride   
1296 SBr2 Sulfur dibromide   
1297 SeBr2 Selenium dibromide   
1298 BrOBr Bromine oxide 1A1C2v
1299 F3- trifluoride anion 1ΣgD∞h
1300 F3- trifluoride anion 1ΣC∞v
1301 Cl3- trichloride anion 1ΣgD∞h
1302 Br3- tribromide anion   
1303 SFCl Sulfur chloride fluoride   
1304 HCCF Fluoroacetylene 1ΣC∞v
1305 HCCF+ fluoroacetylene cation 2ΠC∞v
1306 HCCCl Chloroacetylene 1ΣC∞v
1307 HCCBr bromoacetylene 1ΣC∞v
1308 HFCO formyl fluoride 1A'Cs
1309 COHCl Formyl chloride 1A'Cs
1310 COHBr Formyl bromide 1A'Cs
1311 BHF2 Difluoroborane 1A1C2v
1312 BHCl2 Borane, dichloro- 1A1C2v
1313 CHCl2 dichloromethyl radical 2B1C2v
1314 CHCl2 dichloromethyl radical 2A'Cs
1315 CHF2 difluoromethyl radical 2ACs
1316 CHF2+ difluoromethyl cation   
1317 CHFCl Chlorofluoromethyl radical   
1318 CHFCl+ Chlorofluoromethyl cation   
1319 CHCl2+ dichloromethyl cation   
1320 CHBr2 dibromomethyl radical   
1321 HOClO Chlorous acid 1AC1
1322 HOClO Chlorous acid 1A'Cs
1323 NHF2 difluoramine   
1324 NHCl2 dichloroamine   
1325 CH2F2 Methane, difluoro- 1A1C2v
1326 CH2FCl fluorochloromethane 1A'Cs
1327 SiH2F2 difluorosilane   
1328 CH2Cl2 Methylene chloride 1A1C2v
1329 CH2BrF Methane, bromofluoro- 1A'Cs
1330 CH2BrCl Methane, bromochloro- 1A'Cs
1331 CH2Br2 dibromomethane 1A1C2v
1332 SiH2Cl2 dichlorosilane 1A1C2v
1333 CH3MgBr Methyl Magnesium Bromide   
1334 CH2CHF Ethene, fluoro- 1A'Cs
1335 CH2CHF+ fluoroethene cation 2A"Cs
1336 C2H3Cl Ethene, chloro- 1A'Cs
1337 C2H3Br vinyl bromide 1A'Cs
1338 CH2FOH fluoromethanol   
1339 CH3OCl methyl hypochlorite 1A'Cs
1340 CH2CH2Cl 2-chloroethyl radical 2A'Cs
1341 CHClCH3 1-chloroethyl radical 2AC1
1342 C2H5F fluoroethane 1A'Cs
1343 CH3CH2Cl Ethyl chloride 1A'Cs
1344 C2H5Br Ethyl bromide 1A'Cs
1345 KrF2 Krypton difluoride 1ΣGD∞h
1346 C4 Carbon tetramer 3ΣgD∞h
1347 C4 Carbon tetramer   
1348 C4+ Carbon tetramer cation 2ΠgD∞h
1349 C4H2 Diacetylene 1ΣgD∞h
1350 C4H2+ diacetlyene cation 2ΠgD∞h
1351 C2H3CCH 1-Buten-3-yne 1A'C1
1352 C4H4 cyclobutadiene 1AgD2h
1353 C4H4 cyclobutadiene 1A1gD4h
1354 C4H4 Tetrahedrane   
1355 H2CCCCH2 Butatriene 1AgD2h
1356 C4H6 1-Methylcyclopropene 1AC1
1357 C4H6 Cyclobutene 1A1C2v
1358 C4H6 Methylenecyclopropane 1A1C2v
1359 CH2CCHCH3 1,2-Butadiene 1A'C1
1360 CH2CHCHCH2 1,3-Butadiene 1AgC2h
1361 CH2CHCHCH2 1,3-Butadiene 1AC2
1362 CH3CCCH3 2-Butyne 1A1'D3h
1363 CHCCH2CH3 1-Butyne 1A'Cs
1364 CH3CHCHCH2 methylallyl radical 2A"Cs
1365 C4H8 methylcyclopropane 1A'Cs
1366 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
1367 CH2CHCH2CH3 1-Butene 1AC1
1368 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
1369 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
1370 Al(CH3)3 trimethyl aluminum 1A'C3h
1371 C(CH3)3 Tert-butyl radical 2A"C3v
1372 CH2CH(CH3)2 Isobutyl radical 2A'C1
1373 CH3CHCH2CH3 2-Butyl radical 1AC1
1374 CH3CH(CH3)CH3 Isobutane 1A1C3v
1375 CH3CH2CH2CH3 Butane 1AgAnti
1376 CH3CH2CH2CH3 Butane 1AGauche
1377 SiH(CH3)3 trimethylsilane 1A1C3v
1378 Li3N trilithium nitride 1A'D3h
1379 Li3N trilithium nitride 1A1C3v
1380 C2N2 Cyanogen 1ΣgD∞h
1381 C2N2+ Cyanogen cation 2ΠgD∞h
1382 P4 Phosphorus tetramer 1A1Td
1383 As4 Arsenic tetramer 1A1Td
1384 HCCCN Cyanoacetylene 1ΣC∞v
1385 HCCCN+ Cyanoacetylene cation 2ΠC∞v
1386 H2CNCN cyanamide, methylene   
1387 HNCCNH Ethenediimine   
1388 C3H3N acrylonitrile 1A'Cs
1389 C3H3N+ acrylonitrile cation 2A"Cs
1390 CH3N3 methyl azide 1A'Cs
1391 NH2CCNH2 Diaminoacetylene 1AC2
1392 NH2CH2CN Aminoacetonitrile 1A'Cs
1393 CH3NHN2+ methyl azide, protonated 1AC1
1394 C2H5CN ethyl cyanide 1A'Cs
1395 CH5N3 Guanidine 1AC1
1396 C4H6 Bicyclo[1.1.0]butane 1A1C2v
1397 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
1398 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1AC2
1399 H2NCHCHNH2 diaminoethylene   
1400 CH6N3+ guanidinium 1A1'D3h
1401 CH6N3+ guanidinium 1A1D3
1402 C3H7N Cyclopropylamine 1A'C1
1403 CH7N3 triaminomethane   
1404 C4H8 cyclobutane 1A1D2d
1405 C2H8N2 Ethylenediamine 1AgC2h
1406 CH3NHNHCH3 dimethyl hydrazine 1AC2
1407 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
1408 N(CH3)3 Trimethylamine 1A1C3v
1409 NH2CH2CH2CH3 1-Propanamine 1A'Cs
1410 N(SiH3)3 trisilylamine   
1411 As(CH3)3 trimethyl arsine 1A1C3v
1412 (CH3)3NH+ protonated trimethyl amine   
1413 C3H7NH3+ n-propylamine, protonated 1A'Cs
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 CH2C(OH)NH2 1-amino vinyl alchohol   
1485 CH3C(OH)=NH Ethaninidic acid   
1486 CH3CHNOH Acetaldoxime 1A'CS trans
1487 CH3CHNOH Acetaldoxime 1A'CS cis
1488 CH3CONH2 Acetamide 1A'C1
1489 HCONHCH3 N-methylformamide 1A'CS cis
1490 HCONHCH3 N-methylformamide 1A'CS trans
1491 CH3CSNH2 Ethanethioamide   
1492 CH5N2O+ urea, N-protonated 1A'Cs
1493 H2NCOHNH2+ urea, protonated 1A'Cs
1494 C2H5OO ethylperoxy radical 2A'Cs
1495 CH3NNCH3 (E)-1,2-Dimethyldiazene 1AGC2h
1496 C3H5OH Cyclopropanol 1AC1
1497 C3H6O 2-Propen-1-ol 1AC1
1498 C3H6O 2-Propen-1-ol 1A'Cs
1499 C3H6O Acetone enol 1A'Cs
1500 C3H6O Oxetane 1A1C2v
1501 C3H6O Propylene oxide 1AC1
1502 CH3CH2CHO Propanal 1A'Cs
1503 CH3COCH3 Acetone 1A1C2v
1504 CH3COCH3 Acetone 1AC2
1505 CH3COCH3 Acetone 3A"Cs
1506 CH3COCH3- acetone anion 2A'Cs
1507 C3H6S Thietane 1A'Cs
1508 C3H6S Thiirane, methyl- 1AC1
1509 CH3CSCH3 Thioacetone 1A1C2v
1510 C2H6O2 1,2-Ethanediol 1AgC2h
1511 CH3OOCH3 dimethylperoxide 1AgC2h
1512 CH3OOCH3 dimethylperoxide 1AC2
1513 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
1514 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
1515 CH3SSCH3 Disulfide, dimethyl 1AC2
1516 HOCH2CH2NH2 monoethanolamine 1A'Cs
1517 HOCH2CH2NH2 monoethanolamine 1AC1 OH out
1518 HOCH2CH2NH2 monoethanolamine 1AC1 OH in
1519 C3H7OH 1-Propanol 1A'Cs
1520 C3H7OH 1-Propanol   
1521 CH3CHOHCH3 Isopropyl alcohol 1AC1
1522 CH3OC2H5 Ethane, methoxy- 1A'Cs
1523 C3H7SH 1-Propanethiol 1A'Cs
1524 CH3CHSHCH3 2-Propanethiol 1A'Cs
1525 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
1526 H2OCH3OCH3 water dimethylether dimer 1AC1
1527 Li2F2 Lithium fluoride dimer   
1528 Na2Cl2 Disodium dichloride 1AgC2h
1529 C2F2 difluoroacetylene 1ΣgD∞h
1530 C2Cl2 dichloroacetylene 1ΣgC2h
1531 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
1532 FNO2 Nitryl fluoride 1A1C2v
1533 FONO Nitrosyl hypofluorite 1A'CS cis
1534 ClNO2 Nitryl chloride 1A1C2v
1535 ClONO chlorine nitrite 1A'CS cis
1536 BrONO Bromine nitrite 1A'CS trans
1537 BrONO Bromine nitrite 1A'CS cis
1538 N2F2 (Z)-Difluorodiazene 1A1C2v
1539 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
1540 CF2O Carbonic difluoride 1A1C2v
1541 CF2O+ Carbonic difluoride cation   
1542 COFCl Carbonic chloride fluoride 1A'Cs
1543 CCl2O Phosgene 1A1C2v
1544 Cl2CS Thiophosgene 1A1C2v
1545 COBr2 Carbonic dibromide 1A1C2v
1546 BF3 Borane, trifluoro- 1A'D3h
1547 BF3- Borane, trifluoro- anion 2A1D3h
1548 BF3- Borane, trifluoro- anion 2A1C3v
1549 BF3+ boron trifluoride cation 2A2'D3h
1550 BF3+ boron trifluoride cation 2B2C2v
1551 BF3+ boron trifluoride cation   
1552 AlF3 Aluminum trifluoride 1A1'D3h
1553 BClF2 Chlorodifluoroborane   
1554 AlF2Cl Aluminum chloride difluoride 1A1C2v
1555 ScF3 Scandium trifluoride 1A1'D3h
1556 AlFCl2 Aluminum dichloride fluoride 1A1C2v
1557 BCl3 Borane, trichloro- 1A1'D3h
1558 BCl3+ Boron Trichloride cation   
1559 GaF3 Gallium trifluoride 1A1'D3h
1560 AlCl3 Aluminum trichloride 1A1'D3h
1561 GaCl3 Gallium trichloride 1A1'D3h
1562 BBr3 Boron tribromide 1A1'D3h
1563 ClO3- chlorate anion 1A1C3v
1564 CF3 Trifluoromethyl radical 2A1C3v
1565 CF3- Trifluoromethyl anion 1A1C3v
1566 CF3+ Trifluoromethyl cation 1A1'D3h
1567 CF2Cl difluorochloromethyl radical   
1568 SiF3 Silicon trifluoride radical 2A1C3v
1569 SiF3+ Silicon trifluoride cation 1A1'D3h
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 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
1640 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
1641 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
1642 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AC2
1643 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
1644 CH2BrCH2Cl 1-bromo-2-chloroethane   
1645 CH2BrCH2Cl 1-bromo-2-chloroethane   
1646 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
1647 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
1648 CH2CHCH2F Allyl Fluoride   
1649 CH2CHCH2F Allyl Fluoride   
1650 CH3CHCHF trans-1-Fluoro-1-propene   
1651 C3H5Cl 1-Propene, 3-chloro- 1AC1
1652 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
1653 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
1654 CH2FCH2OH 2-fluoroethanol   
1655 CH2ClCH2OH 2-Chloroethanol 1A'Cs
1656 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
1657 CH2FCH2CH3 1-Fluoropropane 1A'Cs
1658 CH2FCH2CH3 1-Fluoropropane   
1659 CH3CHFCH3 2-Fluoropropane 1A'Cs
1660 CH2ClCH2CH3 Propane, 1-chloro- 1A'anti
1661 CH2ClCH2CH3 Propane, 1-chloro- 1Agauche
1662 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
1663 CH3CH2CH2Br n-propyl bromide 1A'Cs
1664 CH3CHBrCH3 i-propyl bromide 1A'Cs
1665 B5H9 pentaborane9   
1666 C5H4 pentatetraene   
1667 C5H5 cyclopentadienyl radical 2E1"D5h
1668 C5H5 cyclopentadienyl radical 2B1C2v
1669 C5H5- cylopentadienyl anion 1A1'D5h
1670 C5H6 1,3-Cyclopentadiene 1A1C2v
1671 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
1672 C5H6 3-Penten-1-yne, (E)- 1A'Cs
1673 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
1674 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
1675 C5H6 Cyclopropylacetylene 1A'C1
1676 C5H6 Propellane 1A1D3h
1677 C5H7 1,3-pentadienyl radical 2B1C2v
1678 C5H7 cyclopentenyl radical 2A2C2v
1679 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
1680 C5H8 1,2-Pentadiene 1A'C1
1681 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
1682 C5H8 1,3-Pentadiene, (E)- 1A'C1
1683 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
1684 C5H8 1,4-Pentadiene 1AC2
1685 C5H8 1-pentyne 1A'Cs
1686 C5H8 2,3-Pentadiene 1AC1
1687 C5H8 Bicyclo[1.1.1]pentane   
1688 C5H8 Cyclobutane, methylene- 1A'Cs
1689 C5H8 Cyclopentene 1A'Cs
1690 C5H8 Ethenylcyclopropane 1A'Cs
1691 C5H10 1-Butene, 2-methyl- 1AC1
1692 C5H10 2-Butene, 2-methyl- 1A'Cs
1693 C5H10 2-Pentene, (E)- 1A'Cs
1694 C5H10 2-Pentene, (Z)- 1AC1
1695 C5H10 Cyclopentane 1AC1
1696 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
1697 CH2CHCH2CH2CH3 1-pentene 1AC1
1698 CH2CHCH2CH2CH3 1-pentene 1AC1
1699 C5H11 2-Methylbut-2-yl radical 1AC1
1700 C5H12 Butane, 2-methyl- 1AC1
1701 C5H12 Pentane 1A1C2v
1702 C5H12 Propane, 2,2-dimethyl- 1A1Td
1703 Si(CH3)4 tetramethylsilane 1A1Td
1704 N2O3 Dinitrogen trioxide 1A'Cs
1705 C3H2N2 Malononitrile 1A1Cs
1706 CH2N4 1H-Tetrazole 1A'Cs
1707 C3H3N2 imidazolyl radical 2B1C2v
1708 C3H3N2- imidizolyl anion 1A1C2v
1709 C4H4N pyrrolide radical 2A2C2v
1710 C4H4N- pyrrolide anion 1A1C2v
1711 C3H4N2 1H-Imidazole 1A'Cs
1712 C3H4N2 1H-Pyrazole 1A'Cs
1713 C3H4N2 2H-Imidazole 1A1C2v
1714 C3H4N2 4H-Imidazole 1A'Cs
1715 C4H5N (E)-2-Butenenitrile 1A'Cs
1716 C4H5N (Z)-2-Butenenitrile 1A'Cs
1717 C4H5N 2H-pyrrole 1A'Cs
1718 C4H5N 3H-pyrrole 1A'Cs
1719 C4H5N Cyclopropanecarbonitrile 1A'Cs
1720 C4H5N Pyrrole 1A1C2v
1721 C4H6N+ pyrrole, alpha-protonated 1A'Cs
1722 C4H6N+ pyrrole, beta-protonated 1A'Cs
1723 C4H6N+ pyrrole, protonated 1A1C2v
1724 C3H6N2 3-Aminopropionitrile 1A'Cs
1725 CH3CH(CH3)CN Propanenitrile, 2-methyl- 1A'Cs
1726 CH3CH2CH2CN Butanenitrile 1A'Cs
1727 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
1728 C5H8 Spiropentane 1A1D2d
1729 C4H9N Cyclobutylamine 1A'Cs
1730 C4H9N Pyrrolidine 1A'Cs
1731 C3H10N2 1,2-Diaminopropane 1AC1
1732 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
1733 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
1734 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
1735 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
1736 NH(C2H5)2 diethylamine 1A'Cs
1737 NC4H12+ tetramethyl ammonium cation 1A1Td
1738 C3O2 Carbon suboxide 1ΣGD∞h
1739 C3O2 Carbon suboxide 1A1C2v
1740 C3O2+ Carbon suboxide cation 2ΠUD∞h
1741 B2O3 diboron trioxide   
1742 B2O3 diboron trioxide   
1743 MgCO3 Magnesium Carbonate 1A1C2v
1744 BeCO3 Beryllium Carbonate 1A1C2v
1745 CaCO3 Calcium Carbonate 1A1C2v
1746 CaCO3 Calcium Carbonate 1A'Cs
1747 ONONO Nitrosyl nitrite 1A1C2v
1748 PO4--- phosphate 1A1Td
1749 SO4-- sulfate 1A1Td
1750 HOONO2 peroxy nitric acid 1AC1
1751 HSO4- bisulfate anion 1A'Cs
1752 C3H2O2 Propiolic acid 1A'Cs
1753 CHOCOOH oxo acetic acid 1A'Cs
1754 CHOOCHO diformyl ether   
1755 H2SO4 Sulfuric acid 1AC1
1756 H2SeO4 Selenic acid 1AC2
1757 C3H3NO Isoxazole 1A'Cs
1758 C3H3NO Oxazole 1A'Cs
1759 C3H3NS Thiazole   
1760 CH3C(O)OO acetyl peroxy radical 1A'Cs
1761 CH3NO3 Methyl nitrate 1A'Cs
1762 H3PO4 Phosphoric Acid 1AC3
1763 C4H4O Furan 1A1C2
1764 C4H4O+ Furan cation 1A1C2
1765 CH3COCCH 3-butyn-2-one 1A'Cs
1766 C4H4S Thiophene 1A1C2v
1767 C4H4Se selenophene   
1768 C3H4O2 β–Propiolactone 1A'Cs
1769 C3H4O2 2-Propenoic acid 1A'Cs
1770 C3H4O2 Methyl glyoxal 1A'Cs
1771 C3H4O2 propanedial 1AC1
1772 C3H4O2 propenalol 1A'Cs
1773 HOCHCCHOH allenediol 1AC2
1774 C2H4O3 1,2,3-trioxolane 1A'Cs
1775 C2H4O3 trioxolane124 1AC2
1776 HOCH2COOH Hydroxyacetic acid 1ACs
1777 HOCH2COOH Hydroxyacetic acid 1AC1
1778 CH2CHCONH2 Acrylamide 1ACs
1779 CH3OCH2CN Methoxyacetonitrile 1AC1
1780 CH5N3S Hydrazinecarbothioamide 1AC1
1781 H2NCH2COOH Glycine 1A'Cs
1782 CH3SO2NH2 methanesulfonamide 1A'Cs
1783 C4H6O cis-2-butenal 1ACs
1784 C4H6O Cyclobutanone 1A1C2v
1785 C4H6O Furan, 2,3-dihydro- 1AC1
1786 C4H6O Furan, 2,5-dihydro- 1A1Cs
1787 CH2CHOCHCH2 Vinyl ether 1A1C2v
1788 CH2CHOCHCH2 Vinyl ether 1AC1
1789 CHOCHCHCH3 2-Butenal 1A'Cs
1790 C4H6S Thiophene, 2,3-dihydro- 1AC1
1791 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
1792 CH2CHSCHCH2 Divinyl sulfide 1AC2v
1793 CH2CHSCHCH2 Divinyl sulfide   
1794 C2H6N2O Urea, methyl- 1AC1
1795 C3H6O2 1,3-Dioxolane 1AC2
1796 C3H6O2 1,3-Dioxolane 1A'Cs
1797 C3H6O2 1,3-Dioxolane 1AC1
1798 CH3CH2COOH Propanoic Acid 1A'Cs
1799 CH3COOCH3 methyl acetate 1A'Cs
1800 HCOOC2H5 Ethyl formate 1A'Cs
1801 C2H6O2S Dimethyl sulfone 1A1C2v
1802 CH3SSSCH3 dimethyl trisulfide 1AC2
1803 C3H7NO dimethylformamide 1A'Cs
1804 C3H7NO dimethylformamide 1AC1
1805 C3H7NO Propanamide 1A'C1
1806 C2H3OC2H5 Ethene, ethoxy- 1AC1
1807 C4H8O Cyclobutanol 1A'C1
1808 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
1809 CH3COCH2CH3 2-Butanone 1A'Cs
1810 CH3COCH2CH3 2-Butanone 1AC1
1811 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
1812 CHOCH2CH2CH3 Butanal 1A'Cs
1813 C4H8S Thiophene, tetrahydro- 1AC1
1814 C3H8O2 1,3-Propanediol 1A1C1
1815 C3H8O2 1,3-Propanediol 1AC1
1816 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
1817 C3H8O2 Methane, dimethoxy- 1AC2
1818 C3H8O2 Methane, dimethoxy- 1A1C2v
1819 C3H8O2 Propylene glycol 1AC1
1820 C3H8S2 1,3-Propanedithiol 1A1C1
1821 C4H10O 1-Butanol 1A'Cs
1822 C4H10O 1-Butanol 1AC1
1823 C4H10O 1-Propanol, 2-methyl- 1AC1
1824 C4H10O 2-Butanol, (.+/-.)- 1AC1
1825 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
1826 C4H10O Ethanol, 1,1-dimethyl- 1AC1
1827 C4H10O Ethoxy ethane 1A1C2v
1828 C4H10O Methyl propyl ether 1AC1
1829 C4H10O Propane, 2-methoxy- 1A'Cs
1830 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
1831 C2H5SC2H5 Diethyl sulfide 1A1C2v
1832 C4H9SH 1-Butanethiol   
1833 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1AC1
1834 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
1835 CH3CH(SH)CH2CH3 2-Butanethiol 1AC1
1836 FNO3 Fluorine nitrate 1A'Cs
1837 ClONO2 Chlorine nitrate 1A'Cs
1838 BrONO2 Bromine nitrate 1A'Cs
1839 TiCl4 Titanium tetrachloride 1A1Td
1840 ClO4- perchlorate anion 1A1Td
1841 BF4- tetrafluoroboron anion 1A1Td
1842 ClFO3 Perchloryl fluoride 1A1Cs
1843 SO2F2 Sulfuryl fluoride 1A1C2v
1844 SO2Cl2 Sulfuryl chloride 1A1C2v
1845 F3NO Nitrogen trifluoride oxide 1A1C3v
1846 F3PO Phosphoryl fluoride 1A1C3v
1847 Cl3PO Phosphoryl chloride 1A1C3v
1848 CF4 Carbon tetrafluoride 1A1Td
1849 CF3Cl Methane, chlorotrifluoro- 1A1C3v
1850 SiF4 Silicon tetrafluoride 1A1Td
1851 CF2Cl2 difluorodichloromethane 1A1C2v
1852 TiF4 Titanium tetrafluoride 1A1Td
1853 CFCl3 Trichloromonofluoromethane 1A1C3v
1854 CF3Br Bromotrifluoromethane 1A1C3v
1855 GeF4 Germanium tetrafluoride 1A1Td
1856 CCl4 Carbon tetrachloride 1A1Td
1857 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
1858 SiCl4 Silane, tetrachloro- 1A1Td
1859 CBrCl2F bromodichlorofluoromethane   
1860 CBrCl3 Methane, bromotrichloro- 1A1C3v
1861 CBr2F2 Methane, dibromodifluoro- 1A'C2v
1862 GeCl4 Germanium Tetrachloride 1A1Td
1863 CBr2ClF dibromochlorofluoromethane   
1864 CBr2Cl2 dibromodichloromethane 1A1C2v
1865 CFBr3 fluorotribromomethane 1A1C3v
1866 CBr3Cl tribromochloromethane 1A1C3v
1867 CBr4 Carbon tetrabromide 1A1Td
1868 SiBr4 Silicon tetrabromide 1A1Td
1869 GeBr4 Germanium tetrabromide   
1870 ClOF3 Chlorine trifluoride oxide 1A'Cs
1871 SF4 Sulfur tetrafluoride 1A1C2v
1872 SeF4 Selenium tetrafluoride   
1873 SCl4 Sulfur tetrachloride   
1874 C2HF3 Trifluoroethylene 1A'Cs
1875 C2HF3+ Trifluoroethylene cation 2A"Cs
1876 CHClCCl2 Trichloroethylene 1A'Cs
1877 CHBrCF2 1-Bromo-2,2-difluoroethylene 1A'Cs
1878 HClO4 perchloric acid 1ACs
1879 HSO3F Fluorosulfonic acid 1AC1
1880 CF3OH trifluoromethanol 1A'Cs
1881 CH2ClCCCl 1,3-dichloropropyne   
1882 CHCl2CCH 3,3-dichloropropyne   
1883 CHCl2CHO dichloroacetaldehyde 1AC1
1884 CHCl2CHO dichloroacetaldehyde   
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 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
1901 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
1902 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
1903 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
1904 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
1905 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
1906 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
1907 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
1908 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
1909 CH2ClCH2CH2CH3 Butane, 1-chloro- 1A'Cs
1910 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
1911 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
1912 C2H2N2O Furazan   
1913 NH3BF3 Amminetrifluoroboron 1A1C3v
1914 C6H2 hexatriyne 1ΣgD∞h
1915 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
1916 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
1917 C6H4 Benzyne 1A1C2v
1918 C6H5 phenyl 2A1C2v
1919 C6H5- phenyl anion 1A1C2v
1920 C6H6 Prismane   
1921 C6H6 1,2,4,5-Hexatetraene 1AgC2h
1922 C6H6 2,4-Hexadiyne 1A1'D3h
1923 C6H6 2,4-Hexadiyne 1A1GD3d
1924 C6H6 Benzene 1A1gD6h
1925 C6H6 Benzvalene 1A1C2v
1926 C6H6 Dewar Benzene   
1927 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
1928 C6H6 Trimethylenecycopropane 1A'D3h
1929 C6H7+ benzene, protonated 1A1C2v
1930 C6H8 (E)-hexa-1,3,5-triene 1AgCs
1931 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
1932 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
1933 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
1934 C6H8 1,4-Cyclohexadiene 1AgC2v
1935 C6H8 3-Methylenecyclopentene 1AC1
1936 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
1937 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
1938 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
1939 C6H10 1,3-Hexadiene, (E)- 1A'Cs
1940 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
1941 C6H10 1,4-Hexadiene, (E)- 1AC1
1942 C6H10 1,4-Hexadiene, (Z)- 1AC1
1943 C6H10 1,5-Hexadiene 1AgC2
1944 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
1945 C6H10 1-Hexyne 1A'Cs
1946 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
1947 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
1948 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
1949 C6H10 2-Hexyne 1A'C1
1950 C6H10 3-Hexyne 1A1C2v
1951 C6H10 cyclohexene 1AC2
1952 C6H10 Cyclopentene, 1-methyl- 1AC1
1953 C6H10 Cyclopentene, 3-methyl- 1AC1
1954 C6H10 Cyclopentene, 4-methyl- 1AC1
1955 C4H6(CH3)2 1,1-dimethylcyclobutane 1A'Cs
1956 C6H12 (1R,2R)-1,2-dimethylcyclobutane 1ACs
1957 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1AgC2h
1958 C6H12 (1r,3r)-1,3-dimethylcyclobutane 1A'Cs
1959 C6H12 (E)-2-Hexene 1A'Cs
1960 C6H12 (E)-2-Hexene 1AC1
1961 C6H12 (E)-3-methylpent-2-ene 1AC1
1962 C6H12 (E)-hex-3-ene 1AGCi
1963 C6H12 (Z)-3-methylpent-2-ene 1AC1
1964 C6H12 (Z)-hex-2-ene 1AC1
1965 C6H12 (Z)-hex-2-ene 1AC1
1966 C6H12 (Z)-hex-3-ene 1AC2
1967 C6H12 2,3-dimethylbut-1-ene 1A'C2
1968 C6H12 3-methylenepentane 1AC1
1969 C6H12 cis-1,2-dimethylcyclobutane 1A'Cs
1970 C6H12 cis-1,2-dimethylcyclobutane 1AC1
1971 C6H12 cis-1,3-dimethylcyclobutane 1A1C2v
1972 C6H12 Cyclohexane 1A1gChair
1973 C6H12 Cyclohexane 1Atwist boat
1974 C6H12 Cyclopentane, methyl- 1AC1
1975 C6H12 Ethylcyclobutane 1AC1
1976 C6H12 hex-1-ene 1A'Cs
1977 C6H14 Butane, 2,2-dimethyl- 1A'C1
1978 C6H14 Butane, 2,3-dimethyl- 1AgC2h
1979 C6H14 Hexane 1AgC2h
1980 C6H14 Pentane, 2-methyl- 1AC1
1981 C6H14 Pentane, 3-methyl- 1A'Cs
1982 C4N2 2-Butynedinitrile 1ΣgD∞h
1983 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
1984 C4H2N2 Fumaronitrile 1AgC2h
1985 C2H2N4 sym-tetrazine 1AgD2h
1986 C3H3N3 1,3,5-Triazine 1A1'D3h
1987 CH3N5 5-Aminotetrazole 1AC1
1988 C4H4N2 1,3-Diazine 1A1C2v
1989 C4H4N2 Pyrazine 1AgD2h
1990 C4H4N2 Pyridazine 1A1C2v
1991 C4H4N2 Succinonitrile 1AgC2h
1992 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
1993 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
1994 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
1995 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
1996 C5H5N Pyridine 1A1C2v
1997 B3N3H6 borazine 1A1'D3h
1998 C6H6 Fulvene 1A1C2v
1999 C5H6N+ Pyridinium 1A1C2v
2000 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
2001 C5H7N (E)-2-Pentenenitrile 1A'Cs
2002 C5H7N (E)-3-Pentenenitrile 1AC1
2003 C5H7N (Z)-2-Pentenenitrile 1AC1
2004 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
2005 C5H7N Cyclobutanecarbonitrile 1A'Cs
2006 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
2007 C5H9N Butanenitrile, 2-methyl- 1AC1
2008 C5H9N Pentanenitrile 1A'Cs
2009 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
2010 C6H10 Bicyclo[3.1.0]hexane 1A'Cs
2011 C5H11N Cyclopentanamine 1A'Cs
2012 C5H11N Piperidine 1A'NH equatorial
2013 C5H11N Piperidine 1A'NH axial
2014 C4H12N2 1,2-Butanediamine 1AC1
2015 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
2016 Na2CO3 Sodium Carbonate 1A1C2v
2017 C2O4-- oxalate anion 1AgD2h
2018 C2O4-- oxalate anion 1A1D2d
2019 MgSO4 Magnesium Sulfate 1A1C2v
2020 N2O4 Dinitrogen tetroxide 1AgD2d
2021 C3H2O3 vinylene carbonate   
2022 C2H2O4 Oxalic Acid 1AgC2h
2023 C2H3NO3 Oxamic acid 1A'H out
2024 C2H3NO3 Oxamic acid 1A'H in
2025 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
2026 C2H4N2O2 Oxalamide 1AgC2h
2027 C2H4N2S2 Ethanedithioamide 1AGC2h
2028 C2H4CO3 Ethylene carbonate 1A1C2v
2029 C2H4CO3 Ethylene carbonate 1AC2
2030 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
2031 C3H4S3 1,3-Dithiolane-2-thione 1AC1
2032 C2H4O4 Formic acid dimer 1AGC2h
2033 C4H5NO 3-Methylisoxazole 1AC1
2034 C4H5NO Isoxazole, 5-methyl- 1AC1
2035 C4H5NS 4-Methylthiazole 1AC1
2036 C5H6O 2H-Pyran   
2037 C5H6O 2-methylfuran 1AC1
2038 C5H6O 2-methylfuran 1A'Cs
2039 C5H6O 3-Methylfuran 1A'Cs
2040 C5H6O Pentadienal   
2041 C5H6S Thiophene, 2-methyl- 1A'Cs
2042 C5H6S Thiophene, 3-methyl- 1A'Cs
2043 C4H6O2 γ–Butyrolactone 1AC1
2044 C4H6O2 2,3-Butanedione 1AgC2h
2045 C4H6O2 2,3-Butanedione 1AC2
2046 C4H6O2 2,3-Butanedione 1AgCi
2047 C4H6O2 2-Propenoic acid, methyl ester 1AC1
2048 C4H6O2 Crotonic Acid 1A'Cs
2049 C4H6OS 2,3-dihydrothiophene-2-ol 1AC1
2050 C4H6OS 2,5-dihydrothiophene-3-ol 1AC1
2051 C4H6OS 4,5-dihydrothiophene-2-ol 1AC1
2052 C4H6OS 4,5-dihydrothiophene-3-ol 1AC1
2053 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
2054 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
2055 C4H6OS Vinyl sulfoxide 1A'Cs
2056 CH6N4S Carbonothioic dihydrazide 1AC2
2057 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
2058 C2H6N2O2 (E)-Azodioxymethane 1AGCi
2059 C2H6N2O2 Dimethylnitroamine 1AC1
2060 C3H6O3 1,3,5-Trioxane 1A1C1
2061 C3H6S3 1,3,5-Trithiane 1A1C3v
2062 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
2063 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
2064 C4H7NO 2-Pyrrolidinone 1AC1
2065 C4H7NO Ethoxyacetonitrile 1A'Cs
2066 C4H7NO Methacrylamide 1AC1
2067 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
2068 HCONH2CN2H4 formamide aminomethanimine dimer 1AC1
2069 C3H7ONO Propyl nitrite 1A'Cs
2070 C3H7ONO Propyl nitrite 1AC1
2071 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
2072 CH3CH(NH2)COOH Alanine 1AC1
2073 CH3NHCH2COOH Sarcosine 1AC1
2074 NH2CH2CH2COOH β–alanine 1AC1
2075 NH2COOC2H5 Urethane 1AC1
2076 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
2077 C5H8O Cyclopentanone 1AC2
2078 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
2079 C5H8O Methyl cyclopropyl ketone 1A'Cs
2080 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
2081 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
2082 NH2CONHC2H5 Urea, ethyl- 1AC1
2083 C4H8O2 1,3-Dioxane 1A'Cs
2084 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
2085 C4H8O2 1,4-Dioxane 1AgC2h
2086 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
2087 C4H8O2 Ethyl acetate 1A'Cs
2088 C4H8OS s-Ethyl thioacetate 1AC1
2089 C3H8O3 1,2,3-Propanetriol 1AC1
2090 C3H8O2S (Methylsulfonyl)ethane 1AC1
2091 C4H9NO Butanamide 1AC1
2092 C4H9NO Propanamide, 2-methyl- 1AC1
2093 C5H10O 2-Butanone, 3-methyl- 1AC1
2094 C5H10O 2H-Pyran, tetrahydro- 1A'C1
2095 C5H10O 2-methylbutyraldehyde 1AC1
2096 C5H10O 2-Pentanone 1A'Cs
2097 C5H10O 2-Pentanone 1AC1
2098 C5H10O 3-Pentanone 1A1C2v
2099 C5H10O Cyclopentanol 1AC1
2100 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
2101 C5H10O Pentanal 1A'C1
2102 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
2103 C5H10S 3-Ethylthio-1-propene 1A'C1
2104 C5H10S Cyclopentanethiol 1AC1
2105 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
2106 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
2107 C4H10O2 1,1-Dimethoxyethane 1A'Cs
2108 C4H10O2 1,3-Butanediol 1AC1
2109 C4H10O2 1,4-Butanediol 1AgC2h
2110 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
2111 C4H10OS Diethyl sulfoxide 1AC1
2112 C4H10S2 1,4-Butanedithiol 1AgC2h
2113 C4H11NO Diethylhydroxylamine 1A'Cs
2114 C5H12O 1-Butanol, 2-methyl- 1AC1
2115 C5H12O 1-Butanol, 3-methyl- 1A'Cs
2116 C5H12O 1-Pentanol 1A'Cs
2117 C5H12O 2-Butanol, 3-methyl- 1AC1
2118 C5H12O 2-Pentanol 1AC1
2119 C5H12O 3-Pentanol 1AC1
2120 C5H12O Butane, 1-methoxy- 1A'Cs
2121 C5H12O Propane, 1-ethoxy- 1A'Cs
2122 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
2123 C5H12S 1-Butanethiol, 2-methyl- 1AC1
2124 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
2125 C5H12S 1-Pentanethiol 1A'C1
2126 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
2127 C5H12S 2-Butanethiol, 3-methyl- 1AC1
2128 C5H12S Butane, 1-(methylthio)- 1A'Cs
2129 C5H12S Ethyl propyl sulfide 1A'Cs
2130 C5H12S Propane, 2-(ethylthio)- 1A'C1
2131 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
2132 C4F2 difluorobutadiyne   
2133 ClCOClCO Oxalyl chloride 1AGC2h
2134 CF3CN Acetonitrile, trifluoro- 1A1C3v
2135 CF3CN+ Acetonitrile, trifluoro- cation 2A'Cs
2136 B2F4 Diboron tetrafluoride 1AGD2h
2137 B2F4 Diboron tetrafluoride 1A1D2d
2138 B2F4 Diboron tetrafluoride 1AD2
2139 B2Cl4 Diboron tetrachloride 1A1D2
2140 B2Cl4 Diboron tetrachloride 1AC1
2141 C2F4 Tetrafluoroethylene 1AgD2h
2142 C2F4+ Tetrafluoroethylene cation 2B3uD2h
2143 C2ClF3 Ethene, chlorotrifluoro-   
2144 CF2CCl2 difluorodichloroethylene 1A1C2v
2145 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
2146 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
2147 C2Cl4 Tetrachloroethylene 1AgD2h
2148 C2Br4 tetrabromoethene   
2149 CF3OF Trifluoromethylhypofluorite 1A'Cs
2150 SiF5- silicon pentafluoride anion   
2151 SOF4 Sulfur tetrafluoride oxide 1A1C2v
2152 PF5 Phosphorus pentafluoride 1A1'D3h
2153 AsF5 Arsenic pentafluoride 1A1'D3h
2154 PCl5 Phosphorus pentachloride 1A1'C4v
2155 SF5 Sulfur pentafluoride 2A1C4v
2156 SF5 Sulfur pentafluoride 2A'Cs
2157 SF5+ pentafluoro sulfur cation 1A1'D3h
2158 BrF5 bromine pentafluoride 1A1C4v
2159 ClF5 chlorinepentafluoride 1A1C4v
2160 ClF5 chlorinepentafluoride 1A1'D3h
2161 CF3CHO trifluoroacetaldehyde 1A'Cs
2162 CCl3CHO trichloroacetaldehyde 1A'Cs
2163 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
2164 CF3CH2F 1,1,1,2-tetrafluoroethane 1A'Cs
2165 CHF2CHF2 1,1,2,2-tetrafluoroethane 1AGC2h
2166 CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1A'Cs
2167 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
2168 CH2ClCCl3 1,1,1,2-tetrachloroethane   
2169 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
2170 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
2171 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
2172 CF3COOH trifluoroacetic acid 1A'Cs
2173 C4H3ClO Furan, 2-chloro 1A'Cs
2174 C4H3ClO Furan,3-chloro 1A'Cs
2175 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
2176 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
2177 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
2178 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
2179 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
2180 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
2181 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
2182 C5H11Cl Pentane, 1-chloro- 1A'Cs
2183 C4H8O2 Butanoic acid 1AC1
2184 C6H5CH2 benzyl radical 2B1Cs
2185 C7H7 cycloheptatrienyl radical 2A2C2v
2186 C7H7 cycloheptatrienyl radical 2A"Cs
2187 C7H7+ cycloheptatrienyl cation 1A1'D7h
2188 C6H5CH3 toluene 1A'Cs
2189 C7H8 Norbornadiene 1A1C2v
2190 C7H12 Norbornane 1A1C2v
2191 C7H14 cycloheptane 1AC2
2192 C7H16 2-methylhexane 1AC1
2193 C7H16 3-methylhexane 1AC1
2194 C7H16 heptane 1A1C2v
2195 CH(CN)3 tricyanomethane   
2196 HN=C=C(CN)2 Dicyanoketenimine   
2197 C6H7N 2-Methylpyridine 1A'Cs
2198 C6H5NH2 aniline 1A'Cs
2199 C6H13N 2-Methylpiperidine 1AC1
2200 C6H13N cyclohexanamine 1AC1
2201 C6H15N triethylamine 1AC3
2202 N2O5 Dinitrogen pentoxide 1A'Cs
2203 N2O5 Dinitrogen pentoxide  C2
2204 C4H2O3 Maleic Anhydride 1A1C2v
2205 C5H4O2 4-Cyclopentene-1,3-dione 1A1C2v
2206 C5H4O2 furfural 1A'OCCO cis
2207 C5H4O2 furfural 1A'OCCO trans
2208 C6H5O phenoxy radical 2B1C2v
2209 C5H5NO 2(1H)-Pyridinone 1A'Cs
2210 C5H5NO 2(3H)-Pyridinone 1ACs
2211 C5H5NO 2(5H)-Pyridinone 1A'Cs
2212 C5H5NO 2-Pyridinol 1A'Cs
2213 C5H5NO 3(2H)-Pyridinone 1A'Cs
2214 C5H5NO 3(4H)-Pyridinone 1A'C1
2215 C5H5NO 3(6H)-Pyridinone 1A'Cs
2216 C5H5NO 3-Pyridinol 1A'Cs
2217 C5H5NO 4(1H)-Pryidinone 1A'Cs
2218 C5H5NO 4(3H)-Pryidinone 1A'Cs
2219 C5H5NO 4-Pyridinol 1A'Cs
2220 C6H5OH phenol 1A'Cs
2221 C6H6O 2,4-Cyclohexadienone 1ACs
2222 C6H6O 2,5-Cyclohexadienone 1A1C2v
2223 HO2CCHNH2CH2OH Serine 1AC1
2224 C7H10 Norbornene   
2225 C6H10O cyclohexanone 1A'Cs
2226 C6H12O Oxepane   
2227 C3H7OC3H7 di-n-propyl ether 1A1C2v
2228 C3H7OC3H7 di-n-propyl ether 1AC2
2229 F2CCCF2 tetrafluoroallene   
2230 CF3COO- trifluoro acetate anion 1A'Cs
2231 CF3COF trifluoroacetyl fluoride 1A'Cs
2232 CF3COCl trifluoroacetyl chloride 1A'Cs
2233 PF6 Hexafluorophosphate neutral 2B2C2v
2234 PF6- Hexafluorophosphate ion 1A1GOh
2235 SF6 Sulfur Hexafluoride 1A1GOh
2236 SeF6 Selenium hexafluoride 1A1GOh
2237 SF5Cl sulfur chloropentafluoride 1A1C4v
2238 CF3CHF2 pentafluoroethane 1A'Cs
2239 CF3CHFCl 1,1,1,2-tetrafluorochloroethane 1AC1
2240 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane 1A'Cs
2241 C6H5F Fluorobenzene 1A1C2v
2242 C6H5Cl chlorobenzene 1A1C2v
2243 C6H5Br bromobenzene 1A1C2v
2244 C8H6 Calicene 1A1C2v
2245 C6H5CCH phenylacetylene 1A1C2v
2246 C8H6 benzocyclobutadiene 1A1C2v
2247 C8H6 Pentalene 1AgC2h
2248 C6H5CHCH2 Styrene 1A'Cs
2249 C8H8 cubane 1A1GOh
2250 C8H8 cyclooctatetraene 1A1D2d
2251 C6H5CH2CH3 Ethylbenzene 1A'Cs
2252 CH3C6H4CH3 meta-xylene 1A'Cs
2253 CH3C6H4CH3 paraxylene 1AgC2h
2254 C8H14 Bicyclo[2.2.2]octane 1A1'D3h
2255 C8H14 Bicyclo[2.2.2]octane 1A1D3
2256 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
2257 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3
2258 C8H18 Octane 1AGC2h
2259 C6H5CN phenyl cyanide 1A1C2v
2260 C6H12N2 Triethylenediamine 1A1'D3h
2261 C6H12N2 Triethylenediamine 1A1D3
2262 S4N4 Tetrasulfur tetranitride   
2263 S8 Octasulfur 1A1D4d
2264 C6H4O2 parabenzoquinone 1AgD2h
2265 C4H4N2O2 Uracil 1A'Cs
2266 C6H5CHO benzaldehyde 1A'Cs
2267 C6H5OCH3 Anisole 1A'Cs
2268 C6H12O2 Methyl pivalate 1AC1
2269 C6H12O2 Hexanoic acid 1A1Cs
2270 C4F4 tetrafluorcyclobutadiene 1A1GD4h
2271 C4F4 tetrafluorcyclobutadiene 1AGC2h
2272 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
2273 CF3CF2Cl pentafluorochloroethane 1A'Cs
2274 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1AgC2h
2275 CF3CFCl2 1,1-Dichlorotetrafluoroethane 1A'Cs
2276 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- 1AC1
2277 C2F6 hexafluoroethane 1A1gD3d
2278 C2Cl6 hexachloroethane 1A1gD3d
2279 C6H4F2 orthodifluorobenzene 1A1C2v
2280 C6H4F2 1,4-difluorobenzene 1AgD2h
2281 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
2282 C6H4Cl2 1,3-dichlorobenzene 1A1C2v
2283 C6H4Cl2 1,4-dichlorobenzene   
2284 C6H5NO nitrosobenzene 1A'Cs
2285 C9H8 Indene 1A'Cs
2286 C9H8 spiro[4.4]nona-1,3,6,8-tetraene 1A1D2d
2287 C9H12 n-propyl benzene 1A'Cs
2288 C9H20 Nonane 1A1C2v
2289 C(CN)4 tetracyanomethane 1A1Td
2290 C5H4N4 purine 1ACs
2291 C8H7N Indole 1A'Cs
2292 C3H3N3O3 cyanuric acid 1A1'D3h
2293 C6H5NO2 Nitrobenzene 1A1C2v
2294 C6H5COOH benzoic acid 1A'Cs
2295 CH3COC6H5 acetophenone 1AC1
2296 CH3COC6H5 acetophenone 1A'Cs
2297 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1A1'D3h
2298 C3F6 hexafluoropropene   
2299 C6H3F3 Benzene trifluoride 123 1A1C2v
2300 C8H18O 1-Octanol   
2301 C10H8 Azulene 1A1C2v
2302 C10H8 Azulene 1A'Cs
2303 C10H8 naphthalene 1AgD2h
2304 C10H10 bullvalene   
2305 C10H16 adamantane 1A1Td
2306 C6N4 Tetracyanoethylene 1AGD2h
2307 C6N4- tetracyanoethylene anion 2B2GD2h
2308 C4F6 perfluorobutadiene 1AgC2h
2309 C4F6 perfluorobutadiene 1AC2
2310 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1A'Cs
2311 C3F8 perfluoropropane 1A1C2v
2312 Fe(C5H5)2 ferrocene 1A1'D5h
2313 B12H12-- Dodecahydrododecaborate(2-)   
2314 C12H8 Acenaphthylene 1A1C2v
2315 C12H8 biphenylene 1AgD2h
2316 C12H10 biphenyl 1AD2
2317 C12H10 Heptalene 1AC2
2318 C6H12O6 Inositol 1A1GD3d
2319 C6F6 hexafluorobenzene 1A1GD6h
2320 S2F10 disulphur decafluoride   
2321 C13H10 Fluorene   
2322 C14H10 Anthracene 1AgD2h
2323 C14H10 Phenanthrene 1A1C2v
2324 C14H14 Bibenzyl 1AC2
2325 C12H10N2 azobenzene 1AGC2h
2326 C6H5COC6H5 benzophenone 1AC2
2327 C16H10 Pyrene 1AgD2h
2328 C19H16 Triphenylmethane 1AC3
2329 C24H12 Coronene 1A1GD6h
2330 C60 Buckminsterfullerene 1AGIh

Species NOT done yet
count Species Name file name problem
1 ScH3 Scandium trihydride sch3  
2 Sn Tin atom sn  
3 Sn+ Tin cation sn+  
4 SnH4 Stannane snh4  
5 Sb Antimony atom sb  
6 SbH Antimony monohydride sbh  
7 SbH3 Stibine sbh3  
8 Cr Chromium atom cr  
9 Te Tellurium atom te  
10 Te+ Tellurium atom cation te+  
11 TeH Telluryl radical teh  
12 H2Te Hydrogen Telluride h2te  
13 Mn Manganese atom mn  
14 I Iodine atom iodine  
15 I- Iodine atom anion iodine-  
16 I+ Iodine atom cation iodine+  
17 HI Hydrogen iodide hi  
18 HI+ Hydrogen iodide cation hi+  
19 H2I+ Iodonium h2i+  
20 Xe Xenon atom xe  
21 XeH+ Xenon, protonated xeh+  
22 Co Cobalt atom cobalt  
23 Ni Nickel atom ni  
24 NaK+ Sodium Potassium diatomic cation nak+  
25 SbN Antimony nitride sbn  
26 CH3NH2+ methyl amine cation ch3nh2+  
27 TeO Tellurium monoxide teo  
28 Te2 Tellurium diatomic te2  
29 KOH Potassium hydroxide koh  
30 LiI Lithium Iodide lii  
31 NaI Sodium Iodide nai  
32 KI Potassium Iodide ki  
33 ZnF+ Zinc monofluoride cation znf+  
34 AlI Aluminum monoiodide ali  
35 SbF Antimony monofluoride sbf  
36 SbCl Antimony monochloride sbcl  
37 IO Iodine monoxide io  
38 IF Iodine monofluoride if  
39 ICl Iodine monochloride icl  
40 IBr Iodine monobromide ibr  
41 I2 Iodine diatomic i2  
42 I2+ Iodine diatomic cation i2+  
43 HOI Hypoiodous acid hoi  
44 CH3I methyl iodide ch3i  
45 SiH3I Silyl Iodide sih3i  
46 C3H3 cyclopropenyl radical cpr  
47 KCN Potassium cyanide kcn  
48 HCNN diazomethyl radical hcnn  
49 NH2BHNH2 diaminoborane nh2bhnh2  
50 NH2CH2NH3+ diaminoethane, protonated pdam  
51 SCTe Carbon sulfide Telluride scte  
52 TeO2 Tellurium Dioxide teo2  
53 CS2H+ Carbon disulfide, protonated cs2h+  
54 HNNO nitrosoazane hnno  
55 NH3CHO+ Formamide, N-Protonated nh3cho+  
56 ICN Cyanogen iodide icn  
57 INO Nitrosyl iodide ino  
58 I3- triiodide i3-  
59 HFCO+ formyl fluoride cation hfco+  
60 CH2FI fluoroiodomethane ch2fi  
61 CH2ClI chloroiodomethane ch2cli  
62 CH2BrI bromoiodomethane ch2bri  
63 CH2I2 Diiodomethane ch2i2  
64 C2H3I Vinyl iodide c2h3i  
65 CH3SiFH2 fluoromethylsilane ch3sifh2  
66 C2H5I Ethyl iodide c2h5i  
67 XeF2 Xenon difluoride xef2  
68 B4H10 Tetraborane(10) b4h10  
69 B(CH3)3 trimethylborane bme3  
70 C3H7N Azetidine azet  
71 P(CH3)3 trimethylphosphine tmp  
72 Li2O2 dilithium dioxide li2o2  
73 K2O2 dipotassium dioxide k2o2  
74 TeO3 Tellurium trioxide teo3  
75 C2H2CO cyclopropenone c2h2co  
76 HCCCHO 2-propynal hcccho  
77 H2CS3 thiocarbonic acid h2cs3  
78 CH3COCH2 Acetonyl radical ch3coch2  
79 CH3COHCH3+ acetone, protonated acetoneh+  
80 Na2F2 Sodium Fluoride Dimer na2f2  
81 AlBr3 Aluminum Bromide albr3  
82 ClO3 Chlorine trioxide clo3  
83 BrO3- Bromate anion bro3-  
84 SbF3 Antimony Trifluoride sbf3  
85 SbCl3 Antimony Trichloride sbcl3  
86 AsBr3 Arsenic tribromide asbr3  
87 NI3 Nitrogen triiodide ni3  
88 PI3 Phosphorus triiodide pi3  
89 IF3 iodone trifluoride if3  
90 CHF2I difluoroiodomethane chf2i  
91 CHFClI fluorochloroiodomethane chfcli  
92 CHCl2I dichloroiodomethane chcl2i  
93 CHI3 Iodoform chi3  
94 C2H2Br2 1,1-dibromoethene c2h2br2  
95 CH2FCHO Fluoroacetaldehyde ch2fcho  
96 CH2CFCH3 2-fluoropropene 2fpro  
97 C3H9O+ trimethyl oxonium cation c3h9o+  
98 CH3CCCH2CH3 2-Pentyne 2pentyne  
99 C2H3N3 1H-1,2,4-Triazole c288880  
100 CH2CHCH2CN Allylcyanide ch2chch2cn  
101 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
102 C4H8O Furan, tetrahydro- thf  
103 C4H10O+ 1-Butanol cation butanol1+  
104 CCl4+ Carbon tetrachloride cation ccl4+  
105 CF3I trifluoroiodomethane cf3i  
106 CCl3I trichloroiodomethane ccl3i  
107 CFClBrI fluorochlorobromoiodomethane cfclbri  
108 CF2I2 difluorodiiodomethane cf2i2  
109 CCl2I2 dichlorodiiodomethane ccl2i2  
110 CBr3I tribromoiododmethane cbr3i  
111 CI4 tetraiodomethane ci4  
112 SiI4 silicon tetraiodide sii4  
113 CHClCCHCl 1,3-dichloroallene chclcchcl  
114 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
115 NH3BCl3 Amminetrichloroboron nh3bcl3  
116 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
117 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
118 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
119 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
120 C4H9F 1-fluorobutane butaf1  
121 CH3CHFCH2CH3 2-fluorobutane butaf2  
122 XeF4 Xenon tetrafluoride xef4  
123 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
124 C6H6 3,4-Dimethylenecyclobutene cb34m  
125 C6H6+ Benzene cation c6h6+  
126 C6H8 1,3-Cyclohexadiene cyhexadiene13  
127 C6H12 2,3-dimethyl-but-2-ene tmeet  
128 C5H5N E-2,4-pentadienenitrile bdcn  
129 Li2CO3 Lithium Carbonate li2co3  
130 C4H4O2 2(5H)-Furanone furanone  
131 C2H5NO3 Nitric acid, ethyl ester c625581  
132 C5H12S 2-Butanethiol, 2-methyl- c1679090  
133 C2FCl3 fluorotrichloroethene c2fcl3  
134 SbCl5 Antimony pentachloride sbcl5  
135 IF5 pentafluoroiodine if5  
136 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
137 C7H8 cycloheptatriene cht  
138 C7H8 Quadricyclane qucy  
139 C6H5SH Benzenethiol phsh  
140 C5H8O2 Acetylacetone acac  
141 C4H8O2S Sulfolane sulfolane  
142 CH(C2H3)3 trivinyl methane tvm  
143 C6H12O hexanal c6h12o  
144 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
145 CCl3CHCl2 pentachloroethane ccl3chcl2  
146 C8H16 cyclooctane cyclooct  
147 C4O4-- squarate dianion c4o4--  
148 C5H9NO2 Proline proline  
149 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
150 IF7 Iodine heptafluoride if7  
151 C6H4F2 metadifluorobenzene mdfb  
152 C10H22 Decane decane  
153 Fe(CO)5 Iron pentacarbonyl ipc  
154 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
155 C18H12 Tetracene tetracene