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

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H- Hydrogen atom anion 2SKh
4 H+ Hydrogen atom cation  Kh
5 D2 Deuterium diatomic 1ΣgD∞h
6 H2 Hydrogen diatomic 1ΣgD∞h
7 HD Deuterium hydride 1ΣgD∞h
8 He Helium atom 1SKh
9 He- Helium atom anion 2SKh
10 He+ Helium atom cation 2SKh
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na- Sodium atom anion 1SKh
16 Na+ Sodium atom cation 1SKh
17 LiH Lithium Hydride 1ΣC∞v
18 NaH sodium hydride 1ΣC∞v
19 Be Beryllium atom 1SKh
20 Be- Beryllium atom anion 2PKh
21 Be+ Beryllium atom cation 2SKh
22 Mg Magnesium atom 1SKh
23 Mg- Magnesium atom anion 2PKh
24 Mg+ Magnesium atom cation 2SKh
25 Ca Calcium atom 1SKh
26 BeH beryllium monohydride 2ΣC∞v
27 MgH magnesium monohydride 2ΣC∞v
28 BeH2 beryllium dihydride 1ΣgD∞h
29 MgH2 magnesium dihydride 1ΣgD∞h
30 B Boron atom 2PKh
31 B- Boron atom anion 3PKh
32 B- Boron atom anion 1DKh
33 B+ Boron atom cation 1SKh
34 Al Aluminum atom 2PKh
35 Al- Aluminum atom anion 3PKh
36 Al+ Aluminum atom cation 1SKh
37 BH Boron monohydride 1ΣC∞v
38 AlH aluminum monohydride 1ΣC∞v
39 BH2 boron dihydride 2A1C2v
40 AlH2 aluminum dihydride 2A1C2v
41 BH3 boron trihydride 1A1'D3h
42 AlH3 aluminum trihydride 1A1'D3h
43 C Carbon atom 3P0Kh
44 C- Carbon atom anion 4SKh
45 C+ Carbon atom cation 2PKh
46 Si Silicon atom 3PKh
47 Si- Silicon atom anion 4SKh
48 Si+ Silicon atom cation 2PKh
49 CH Methylidyne 2Π1/2C∞v
50 SiH Silylidyne 2ΠC∞v
51 CH2 Methylene 3B1C2v
52 SiH2 silicon dihydride 1A1C2v
53 CH3 Methyl radical 2A1D3h
54 SiH3 Silyl radical 2A1C3v
55 CH4 Methane 1A1Td
56 SiH4 Silane 1A1Td
57 N- Nitrogen atom anion 3SKh
58 N+ Nitrogen atom cation 3PKh
59 P Phosphorus atom 4SKh
60 P- Phosphorus atom anion 3PKh
61 P+ Phosphorus atom cation 3PKh
62 As Arsenic atomic 4SKh
63 NH Imidogen 3Σ-C∞v
64 PH phosphorus monohydride 3Σ-C∞v
65 ND2 Amidogen-d2 2B1C2v
66 NH2 Amino radical 2B1C2v
67 PH2 Phosphino radical 2B1C2v
68 ND3 Ammonia-d3 1A1C3v
69 NH3 Ammonia 1A1C3v
70 PH3 Phosphine 1A1C3v
71 O Oxygen atom 3SKh
72 O- Oxygen atom anion 2PKh
73 O+ Oxygen atom cation 4SKh
74 S Sulfur atom 3PKh
75 S- Sulfur atom anion 2PKh
76 S+ Sulfur atom cation 4SKh
77 Se Selenium atom 3PKh
78 Se- Selenium atom anion 2PKh
79 Se+ Selenium atom cation 4SKh
80 DO Hydroxyl-d 2ΠC∞v
81 OH Hydroxyl radical 2ΠC∞v
82 DS Mercapto-d 2ΠC∞v
83 HS Mercapto radical 2ΠC∞v
84 HSe Selenium monohydride 2ΠC∞v
85 D2O Deuterium oxide 1A1C2v
86 H2O Water 1A1C2v
87 HDO Water-d1 1A1C2v
88 D2S Hydrogen sulfide-d2 1A1C2v
89 H2S Hydrogen sulfide 1A1C2v
90 H2Se Hydrogen selenide 1A1C2v
91 F Fluorine atom 2PKh
92 F- Fluorine atom anion 1SKh
93 F+ Fluorine atom cation 3SKh
94 Cl Chlorine atom 2PKh
95 Cl- Chlorine atom anion 1SKh
96 Cl+ Chlorine atom cation 3PKh
97 Br Bromine atom 2PKh
98 Br- Bromine atom anion 1SKh
99 Br+ Bromine atom cation 3PKh
100 DF Hydrofluoric acid-d 1ΣC∞v
101 HF Hydrogen fluoride 1ΣC∞v
102 DCl Hydrochloric acid-d 1ΣC∞v
103 HCl Hydrogen chloride 1ΣC∞v
104 HBr hydrogen bromide 1ΣC∞v
105 Ne Neon atom 1SKh
106 Ne- Neon atom anion 2SKh
107 Ne+ Neon atom cation 2PKh
108 Ar Argon atom 1SKh
109 Ar- Argon atom anion 2SKh
110 Ar+ Argon atom cation 2PKh
111 Li2 Lithium diatomic 1ΣgD∞v
112 Na2 Sodium diatomic 1ΣgD∞h
113 Mg2 Magnesium diatomic 1ΣgD∞h
114 B2 Boron diatomic 3ΣgD∞h
115 Al2 Aluminum diatomic 3ΣgD∞h
116 B2H6 Diborane 1AgD2h
117 C2 Carbon diatomic 1Σg+D∞h
118 Si2 Silicon diatomic 3ΣgD∞h
119 C2H Ethynyl radical 2ΣC∞v
120 C2H2 Acetylene 1ΣgD∞h
121 C2H3 vinyl 2A'Cs
122 C2H4 Ethylene 1AgD2h
123 C2H5 Ethyl radical 2A'Cs
124 C2H6 Ethane 1A1gD3d
125 CH3SiH3 methyl silane 1A1C3
126 Si2H6 disilane 1EuD3d
127 BN boron nitride 3ΠC∞v
128 AlN Aluminum nitride 3ΠiC∞v
129 CN Cyano radical 2ΣC∞v
130 CP Carbon monophosphide 2ΣC∞v
131 SiN Silicon nitride 2ΣC∞v
132 N2 Nitrogen diatomic 1ΣgD∞h
133 PN Phosphorus mononitride 1ΣC∞v
134 P2 Phosphorus diatomic 1ΣgD∞h
135 HNC hydrogen isocyanide 1ΣC∞v
136 HCN Hydrogen cyanide 1ΣC∞v
137 HCP Phosphaethyne 1ΣC∞v
138 HPO Hydrogen phosphorus oxide 1A'Cs
139 N2H2 (E)-diazene 1AgC2h
140 CH2NH Methanimine 1A'Cs
141 CH2PH Phosphaethene 1A'Cs
142 N2H4 Hydrazine 1AC2
143 P2H4 Diphosphine 1AC2
144 CH3NH2 methyl amine 1A'Cs
145 CH3PH2 Methyl phosphine 1A'Cs
146 NH3NH3 Ammonia Dimer 1AgC2h
147 LiO lithium oxide 2ΣC∞v
148 NaO sodium monoxide 2ΣC∞v
149 BeO beryllium oxide 1ΣC∞v
150 BeS beryllium sulfide 1ΣC∞v
151 MgO magnesium oxide 1Σ+C∞v
152 MgS magnesium sulfide 1ΣC∞v
153 BO boron monoxide 2ΣC∞v
154 AlO Aluminum monoxide 2ΣC∞v
155 BS boron sulfide 2ΣC∞v
156 AlS Aluminum sulfide 2ΣC∞v
157 CO Carbon monoxide 1ΣC∞v
158 CS carbon monosulfide 1ΣC∞v
159 SiO Silicon monoxide 1ΣC∞v
160 SiS silicon monosulfide 1ΣC∞v
161 NO Nitric oxide 2ΠC∞v
162 NS Mononitrogen monosulfide 2ΠC∞v
163 PO Phosphorus monoxide 2ΠC∞v
164 PS phosphorus sulfide 2ΣC∞v
165 O2 Oxygen diatomic 3ΣgD∞h
166 SO Sulfur monoxide 3ΣC∞v
167 S2 Sulfur diatomic 3ΣgD∞h
168 SeO Selenium monoxide 3ΣC∞v
169 Se2 Selenium diatomic 3ΣgD∞h
170 LiOH lithium hydroxide 1ΣC∞v
171 NaOH sodium hydroxide 1ΣC∞v
172 BeOH beryllium monohydroxide 2A'Cs
173 MgOH magnesium hydroxide 2A'Cs
174 HBO Boron hydride oxide 1ΣC∞v
175 HBS hydrogen boron sulfide 1ΣC∞v
176 HCO Formyl radical 2A'Cs
177 HNO Nitrosyl hydride 1A'Cs
178 HO2 Hydroperoxy radical 2A"Cs
179 H2CO Formaldehyde 1A1C2v
180 H2CS Thioformaldehyde 1A1C2v
181 H2O2 Hydrogen peroxide 1AC2
182 H2S2 Disulfane 1AC2
183 CH2OH Hydroxymethyl radical 2AC1
184 CH3O Methoxy radical 2A'C1
185 CH3S thiomethoxy 2A'C3v
186 NH2OH hydroxylamine 1A'Cs
187 CH3OH Methyl alcohol 1A'Cs
188 CH3SH Methanethiol 1A'Cs
189 CH3SeH Methane selenol 1A'Cs
190 H2OH2O water dimer 1A'Cs
191 H2ONH3 Water Ammonia Dimer 1A'C1
192 LiF lithium fluoride 1ΣC∞v
193 LiCl lithium chloride 1ΣC∞v
194 NaF sodium fluoride 1ΣC∞v
195 NaCl Sodium Chloride 1ΣC∞v
196 LiBr Lithium Bromide 1ΣC∞v
197 NaBr Sodium Bromide 1ΣC∞v
198 BeF Beryllium monofluoride 2ΣC∞v
199 BeCl beryllium monochloride 2ΣC∞v
200 MgF Magnesium monofluoride 2ΣC∞v
201 MgCl magnesium monochloride 2ΣC∞v
202 BF Boron monofluoride 1ΣC∞v
203 AlF Aluminum monofluoride 1Σ+C∞v
204 BCl boron monochloride 1ΣC∞v
205 CF Fluoromethylidyne 2ΠC∞v
206 CCl carbon monochloride 2ΠC∞v
207 SiF silicon monofluoride 2ΠC∞v
208 SiCl Clorosilylidyne 2ΠC∞v
209 NF nitrogen fluoride 3ΣC∞v
210 PF phosphorus monofluoride 3ΣC∞v
211 PCl phosphorus chloride 3ΣC∞v
212 FO Oxygen monofluoride 2ΠC∞v
213 ClO Monochlorine monoxide 2ΠC∞v
214 SF Monosulfur monofluoride 2ΠC∞v
215 SCl sulfur monochloride 2ΠC∞v
216 BrCl Bromine monochloride 1ΣC∞v
217 F2 Fluorine diatomic 1ΣgD∞h
218 ClF Chlorine monofluoride 1Σ+C∞v
219 Cl2 Chlorine diatomic 1ΣgD∞h
220 BrF Bromine monofluoride 1ΣC∞v
221 Br2 Bromine diatomic 1ΣgD∞h
222 HCF Fluoromethylene 1A'Cs
223 HOF Hypofluorous acid 1A'Cs
224 DOCl Hypochlorous acid-d 1A'Cs
225 HOCl hypochlorous acid 1A'Cs
226 HOBr Hypobromous acid 1A'Cs
227 H2F2 Hydrogen fluoride dimer 1AgCs
228 CH3F Methyl fluoride 1A1C3v
229 CH3Cl Methyl chloride 1A1C3v
230 SiH3F monofluorosilane 1A1C3v
231 SiH3Cl chlorosilane 1A1C1
232 CH3Br methyl bromide 1A1C3v
233 C3 carbon trimer 1ΣgD∞h
234 C3H3 Propargyl radical 2B1Cs
235 CH2CCH2 allene 1A1D2d
236 CH3CCH propyne 1A'C3v
237 C3H5 Allyl radical 2A2C2v
238 C3H6 Cyclopropane 1A1'D3h
239 CH2CHCH3 Propene 1A'Cs
240 C3H7 n-Propyl radical 2A"C1
241 CH3CHCH3 Isopropyl radical 2AC2
242 C3H8 Propane 1A1C2v
243 HN3 hydrogen azide 1A'Cs
244 CH3CN Acetonitrile 1A1C3v
245 CH3NC methyl isocyanide 1A1C3v
246 NHCHNH2 aminomethanimine 1AC1
247 C2H5N Aziridine 1A'C1
248 CH3CH2NH2 Ethylamine 1A'Cs
249 CH3NHCH3 Dimethylamine 1A'Cs
250 Li2O dilithium oxide 1ΣgD∞h
251 BO2 Boron dioxide 2A'D∞h
252 N2O Nitrous oxide 1ΣC∞v
253 CO2 Carbon dioxide 1ΣgD∞h
254 OCS Carbonyl sulfide 1ΣC∞v
255 SiO2 silicon dioxide 1ΣgD∞h
256 CS2 Carbon disulfide 1ΣgD∞h
257 OCSe Carbonyl selenide 1ΣC∞v
258 NO2 Nitrogen dioxide 2A1C2v
259 PO2 Phosphorus dioxide 2A1C2v
260 O3 Ozone 1A1Cs
261 SO2 Sulfur dioxide 1A1C2v
262 SSO Disulfur monoxide 1A'Cs
263 SeO2 Selenium dioxide 1A1C2v
264 HCNO fulminic acid 1ΣC∞v
265 HNCO Isocyanic acid 1A'Cs
266 HOCN cyanic acid 1A'Cs
267 HNO2 Nitrous acid 1A'Cs
268 CH2CO Ketene 1A1C2v
269 HCCOH ethynol 1A'Cs
270 HCOOH Formic acid 1A'Cs
271 CH3CO Acetyl radical 2A'Cs
272 CHONH2 formamide 1A'Planar
273 CH3OO methylperoxy radical 2A"Cs
274 C2H4O Ethylene oxide 1A1C2v
275 CH2CHOH ethenol 1A'Cs
276 CH3CHO Acetaldehyde 1A'Cs
277 C2H4S Thiirane 1A1C2v
278 CH3CHS Thioacetaldehyde 1A'C1
279 CH3OOH Methyl peroxide 1AC1
280 H2OH2CO water formaldehyde dimer 1AC1
281 CH3CH2OH Ethanol 1A'Cs
282 CH3OCH3 Dimethyl ether 1A1C2v
283 CH3CH2SH ethanethiol 1A'Cs
284 CH3SCH3 Dimethyl sulfide 1A1C2v
285 CH3OHH2O methanol water dimer 1A'C1
286 H2OCH3OH water methanol dimer 1AC1
287 FCN Cyanogen fluoride 1ΣC∞v
288 ClCN chlorocyanogen 1ΣC∞v
289 BrCN Cyanogen bromide 1ΣC∞v
290 MgCl2 Magnesium dichloride 1ΣgC2v
291 FNO Nitrosyl fluoride 1A'Cs
292 ClNO Nitrosyl chloride 1A'Cs
293 CF2 Difluoromethylene 1A1D∞h
294 CCl2 dichloromethylene 1A1C2v
295 SiCl2 Dichlorosilylene 1A1C2v
296 FOO Dioxygen monofluoride radical 2A"Cs
297 ClOO chloroperoxy radical 2A"Cs
298 OClO Chlorine dioxide 2B1D∞h
299 ClS2 Sulfur chloride 2A"Cs
300 NF2 Difluoroamino radical 2B1C2v
301 F2O Difluorine monoxide 1A1C2v
302 SF2 sulfur difluoride 1A1C2v
303 Cl2O Dichlorine monoxide 1A1C2v
304 SCl2 Sulfur dichloride 1A1C2v
305 HCCF Fluoroacetylene 1ΣC∞v
306 BHF2 Difluoroborane 1A1C2v
307 BHCl2 Borane, dichloro- 1A1C2v
308 CH2F2 Methane, difluoro- 1A1C2v
309 CH2FCl fluorochloromethane 1A'Cs
310 CH2Cl2 Methylene chloride 1A1C2v
311 CH2Br2 dibromomethane 1A1C2v
312 SiH2Cl2 dichlorosilane 1A1C2v
313 CH2CHF Ethene, fluoro- 1A'Cs
314 C2H3Cl Ethene, chloro- 1A'Cs
315 C2H3Br vinyl bromide 1A'Cs
316 C2H5F fluoroethane 1A'Cs
317 CH3CH2Cl Ethyl chloride 1A'Cs
318 C2H5Br Ethyl bromide 1A'Cs
319 C4 Carbon tetramer 3ΣgD∞h
320 C4H2 Diacetylene 1ΣgD∞h
321 C2H3CCH 1-Buten-3-yne 1A'C1
322 H2CCCCH2 Butatriene 1AgD2h
323 C4H6 1-Methylcyclopropene 1AC1
324 C4H6 Cyclobutene 1A1C2v
325 C4H6 Methylenecyclopropane 1A1C2v
326 CH2CCHCH3 1,2-Butadiene 1A'C1
327 CH2CHCHCH2 1,3-Butadiene 1AgC2h
328 CH3CCCH3 2-Butyne 1A1'D3h
329 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
330 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
331 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
332 C(CH3)3 Tert-butyl radical 2A"C3v
333 CH2CH(CH3)2 Isobutyl radical 2A'C1
334 CH3CHCH2CH3 2-Butyl radical 1AC1
335 CH3CH(CH3)CH3 Isobutane 1A1C3v
336 CH3CH2CH2CH3 Butane 1AgAnti
337 C2N2 Cyanogen 1ΣgD∞h
338 P4 Phosphorus tetramer 1A1Td
339 HCCCN Cyanoacetylene 1ΣC∞v
340 C3H3N acrylonitrile 1A'Cs
341 C3H7N Cyclopropylamine 1A'C1
342 C4H8 cyclobutane 1A1D2d
343 C2H8N2 Ethylenediamine 1AgC2h
344 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
345 N(CH3)3 Trimethylamine 1A1C3v
346 NH2CH2CH2CH3 1-Propanamine 1A'Cs
347 B2O2 Diboron dioxide 1ΣgD∞h
348 NO3 Nitrogen trioxide 2A1'all bonds equal
349 SO3 Sulfur trioxide 1A1'D3h
350 HNO3 Nitric acid 1A'Cs
351 C2H2O2 Ethanedial 1AgC2h
352 CH3NO2 Methane, nitro- 1A'Cs
353 CH3ONO Methyl nitrite 1A'C1
354 C3H4O 2-Propyn-1-ol 1A'Cs
355 C3H4O allenol 1A'Cs
356 C3H4O Cyclopropanone 1A1C2v
357 C3H4O Methylketene 1A'Cs
358 CH2CHCHO Acrolein 1A'Cs
359 NH2CONH2 Urea 1AC2
360 NH2CSNH2 Thiourea 1AC2
361 CH3COOH Acetic acid 1A'Cs
362 CH3OCHO methyl formate 1A'Cs
363 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
364 H2OHCOOH Water formic acid dimer 1 1AC1
365 H2OHCOOH Water formic acid dimer 2 1AC1
366 HCOOHH2O Formic acid water dimer 1AC1
367 CH3CHNOH Acetaldoxime 1A'CS trans
368 CH3CONH2 Acetamide 1A'C1
369 C3H6O Propylene oxide 1AC1
370 CH3CH2CHO Propanal 1A'Cs
371 CH3COCH3 Acetone 1A1C2v
372 C3H6S Thietane 1A'Cs
373 C3H6S Thiirane, methyl- 1AC1
374 C2H6O2 1,2-Ethanediol 1AgC2h
375 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
376 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
377 CH3SSCH3 Disulfide, dimethyl 1AC2
378 CH3CHOHCH3 Isopropyl alcohol 1AC1
379 CH3OC2H5 Ethane, methoxy- 1A'Cs
380 C3H7SH 1-Propanethiol 1A'Cs
381 CH3CHSHCH3 2-Propanethiol 1A'Cs
382 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
383 H2OCH3OCH3 water dimethylether dimer 1AC1
384 Na2Cl2 Disodium dichloride 1AgC2h
385 C2F2 difluoroacetylene 1ΣgD∞h
386 C2Cl2 dichloroacetylene 1ΣgC2h
387 ClNO2 Nitryl chloride 1A1C2v
388 N2F2 (Z)-Difluorodiazene 1A1C2v
389 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
390 CF2O Carbonic difluoride 1A1C2v
391 CCl2O Phosgene 1A1C2v
392 BF3 Borane, trifluoro- 1A'D3h
393 AlF3 Aluminum trifluoride 1A1'D3h
394 AlF2Cl Aluminum chloride difluoride 1A1C2v
395 AlFCl2 Aluminum dichloride fluoride 1A1C2v
396 BCl3 Borane, trichloro- 1A1'D3h
397 AlCl3 Aluminum trichloride 1A1'D3h
398 CF3 Trifluoromethyl radical 2A1C3v
399 CCl3 Trichloromethyl radical 2A1C3
400 SOCl2 thionyl chloride 1A'Cs
401 NF3 Nitrogen trifluoride 1A1C3v
402 PF3 Phosphorus trifluoride 1A1C3v
403 PCl3 Phosphorus trichloride 1A1C3v
404 ClSSCl Disulfur dichloride 1AC2
405 BrF3 Bromine trifluoride 1A1C2v
406 CHF3 Methane, trifluoro- 1A1C3v
407 CHF2Cl difluorochloromethane 1A'Cs
408 CHFCl2 fluorodichloromethane 1A'Cs
409 CHCl3 Chloroform 1A1C3v
410 SiHCl3 Trichlorosilane 1A1C3v
411 CHBr3 bromoform 1A1C3v
412 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
413 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
414 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
415 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
416 CH3COF Acetyl fluoride 1A'NULL
417 CH3COCl Acetyl Chloride 1A'Cs
418 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
419 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
420 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
421 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
422 C3H5Cl 1-Propene, 3-chloro- 1AC1
423 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
424 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
425 C5H6 1,3-Cyclopentadiene 1A1C2v
426 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
427 C5H6 3-Penten-1-yne, (E)- 1A'Cs
428 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
429 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
430 C5H6 Cyclopropylacetylene 1A'C1
431 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
432 C5H8 1,2-Pentadiene 1A'C1
433 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
434 C5H8 1,3-Pentadiene, (E)- 1A'C1
435 C5H8 1,4-Pentadiene 1AC2
436 C5H8 2,3-Pentadiene 1AC1
437 C5H8 Cyclobutane, methylene- 1A'Cs
438 C5H8 Cyclopentene 1A'Cs
439 C5H10 1-Butene, 2-methyl- 1AC1
440 C5H10 2-Butene, 2-methyl- 1A'Cs
441 C5H10 2-Pentene, (E)- 1A'Cs
442 C5H10 2-Pentene, (Z)- 1AC1
443 C5H10 Cyclopentane 1AC1
444 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
445 C3H4N2 1H-Imidazole 1A'Cs
446 C3H4N2 1H-Pyrazole 1A'Cs
447 C4H5N (E)-2-Butenenitrile 1A'Cs
448 C4H5N (Z)-2-Butenenitrile 1A'Cs
449 C4H5N Cyclopropanecarbonitrile 1A'Cs
450 C4H5N Pyrrole 1A1C2v
451 C3H6N2 3-Aminopropionitrile 1A'Cs
452 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
453 C5H8 Spiropentane 1A1D2d
454 C4H9N Cyclobutylamine 1A'Cs
455 C4H9N Pyrrolidine 1A'Cs
456 C3O2 Carbon suboxide 1ΣGD∞h
457 H2SO4 Sulfuric acid 1AC1
458 C3H3NO Isoxazole 1A'Cs
459 CH3NO3 Methyl nitrate 1A'Cs
460 C4H4O Furan 1A1C2
461 C4H4S Thiophene 1A1C2v
462 C3H4O2 β–Propiolactone 1A'Cs
463 C3H4O2 2-Propenoic acid 1A'Cs
464 CH2CHCONH2 Acrylamide 1ACs
465 CH3OCH2CN Methoxyacetonitrile 1A'Cs
466 CH5N3S Hydrazinecarbothioamide 1AC1
467 C4H6O Cyclobutanone 1A1C2v
468 C4H6O Furan, 2,3-dihydro- 1AC1
469 CH2CHOCHCH2 Vinyl ether 1A1C2v
470 CHOCHCHCH3 2-Butenal 1A'Cs
471 C4H6S Thiophene, 2,3-dihydro- 1AC1
472 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
473 CH2CHSCHCH2 Divinyl sulfide 1AC2v
474 C2H6N2O Urea, methyl- 1AC1
475 C3H6O2 1,3-Dioxolane 1AC2
476 CH3COOCH3 methyl acetate 1A'Cs
477 C2H6O2S Dimethyl sulfone 1A1C2v
478 C3H7NO Propanamide 1A'C1
479 C2H3OC2H5 Ethene, ethoxy- 1AC1
480 C4H8O Cyclobutanol 1A'C1
481 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
482 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
483 C4H8S Thiophene, tetrahydro- 1AC1
484 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
485 C3H8O2 Methane, dimethoxy- 1AC2
486 C3H8O2 Propylene glycol 1AC1
487 C3H8S2 1,3-Propanedithiol 1A1C1
488 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
489 FNO3 Fluorine nitrate 1A'Cs
490 ClFO3 Perchloryl fluoride 1A1Cs
491 SO2Cl2 Sulfuryl chloride 1A1C2v
492 F3NO Nitrogen trifluoride oxide 1A1C3v
493 F3PO Phosphoryl fluoride 1A1C3v
494 Cl3PO Phosphoryl chloride 1A1C3v
495 CF4 Carbon tetrafluoride 1A1Td
496 CF3Cl Methane, chlorotrifluoro- 1A1C3v
497 SiF4 Silicon tetrafluoride 1A1Td
498 CF2Cl2 difluorodichloromethane 1A1C2v
499 CFCl3 Trichloromonofluoromethane 1A1C3v
500 CCl4 Carbon tetrachloride 1A1Td
501 SiCl4 Silane, tetrachloro- 1A1Td
502 CHClCCl2 Trichloroethylene 1A'Cs
503 HSO3F Fluorosulfonic acid 1AC1
504 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
505 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
506 C3H5ClO Oxirane, (chloromethyl)- 1AC1
507 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
508 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
509 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
510 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
511 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
512 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
513 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
514 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
515 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
516 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
517 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
518 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
519 C6H5 phenyl 2A1C2v
520 C6H6 2,4-Hexadiyne 1A1'D3h
521 C6H6 Benzene 1A1gD6h
522 C6H8 (E)-hexa-1,3,5-triene 1AgCs
523 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
524 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
525 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
526 C6H8 1,4-Cyclohexadiene 1AgC2v
527 C6H8 3-Methylenecyclopentene 1AC1
528 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
529 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
530 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
531 C6H10 1,3-Hexadiene, (E)- 1A'Cs
532 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
533 C6H10 1,4-Hexadiene, (E)- 1AC1
534 C6H10 1,4-Hexadiene, (Z)- 1AC1
535 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
536 C6H10 1-Hexyne 1A'Cs
537 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
538 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
539 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
540 C6H10 2-Hexyne 1A'C1
541 C6H10 3-Hexyne 1A1C2v
542 C6H10 Cyclopentene, 1-methyl- 1AC1
543 C6H10 Cyclopentene, 3-methyl- 1AC1
544 C6H10 Cyclopentene, 4-methyl- 1AC1
545 C6H12 (E)-3-methylpent-2-ene 1AC1
546 C6H12 (Z)-3-methylpent-2-ene 1AC1
547 C6H12 3-methylenepentane 1AC1
548 C6H12 Cyclohexane 1A1gChair
549 C6H12 Cyclopentane, methyl- 1AC1
550 C6H12 Ethylcyclobutane 1AC1
551 C6H12 hex-1-ene 1A'Cs
552 C6H14 Butane, 2,2-dimethyl- 1A'C1
553 C6H14 Butane, 2,3-dimethyl- 1AgC2h
554 C6H14 Hexane 1AgC2h
555 C6H14 Pentane, 2-methyl- 1AC1
556 C6H14 Pentane, 3-methyl- 1A'Cs
557 C4N2 2-Butynedinitrile 1ΣgD∞h
558 C3H3N3 1,3,5-Triazine 1A1'D3h
559 CH3N5 5-Aminotetrazole 1AC1
560 C4H4N2 1,3-Diazine 1A1C2v
561 C4H4N2 Pyrazine 1AgD2h
562 C4H4N2 Pyridazine 1A1C2v
563 C4H4N2 Succinonitrile 1AgC2h
564 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
565 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
566 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
567 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
568 C5H5N Pyridine 1A1C2v
569 C6H6 Fulvene 1A1C2v
570 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
571 C5H7N (E)-2-Pentenenitrile 1A'Cs
572 C5H7N (E)-3-Pentenenitrile 1AC1
573 C5H7N (Z)-2-Pentenenitrile 1AC1
574 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
575 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
576 C5H9N Butanenitrile, 2-methyl- 1AC1
577 C5H9N Pentanenitrile 1A'Cs
578 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
579 C5H11N Cyclopentanamine 1A'Cs
580 C5H11N Piperidine 1A'NH equatorial
581 C4H12N2 1,2-Butanediamine 1AC1
582 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
583 N2O4 Dinitrogen tetroxide 1AgD2d
584 C2H3NO3 Oxamic acid 1A'H out
585 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
586 C2H4N2O2 Oxalamide 1AgC2h
587 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
588 C3H4S3 1,3-Dithiolane-2-thione 1AC1
589 C4H5NO 3-Methylisoxazole 1AC1
590 C4H5NO Isoxazole, 5-methyl- 1AC1
591 C4H5NS 4-Methylthiazole 1AC1
592 C5H6S Thiophene, 2-methyl- 1A'Cs
593 C5H6S Thiophene, 3-methyl- 1A'Cs
594 C4H6O2 2-Propenoic acid, methyl ester 1AC1
595 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
596 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
597 CH6N4S Carbonothioic dihydrazide 1AC2
598 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
599 C2H6N2O2 Dimethylnitroamine 1AC1
600 C3H6O3 1,3,5-Trioxane 1A1C1
601 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
602 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
603 C4H7NO 2-Pyrrolidinone 1AC1
604 C4H7NO Methacrylamide 1AC1
605 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
606 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
607 NH2COOC2H5 Urethane 1AC1
608 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
609 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
610 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
611 NH2CONHC2H5 Urea, ethyl- 1AC1
612 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
613 C4H8O2 1,4-Dioxane 1AgC2h
614 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
615 C4H8OS s-Ethyl thioacetate 1AC1
616 C3H8O3 1,2,3-Propanetriol 1AC1
617 C3H8O2S (Methylsulfonyl)ethane 1AC1
618 C4H9NO Butanamide 1AC1
619 C4H9NO Propanamide, 2-methyl- 1AC1
620 C5H10O 2-Butanone, 3-methyl- 1AC1
621 C5H10O 2H-Pyran, tetrahydro- 1A'C1
622 C5H10O 2-Pentanone 1A'Cs
623 C5H10O 3-Pentanone 1A1C2v
624 C5H10O Cyclopentanol 1AC1
625 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
626 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
627 C5H10S 3-Ethylthio-1-propene 1A'C1
628 C5H10S Cyclopentanethiol 1AC1
629 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
630 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
631 C4H10O2 1,1-Dimethoxyethane 1A'Cs
632 C4H10O2 1,3-Butanediol 1AC1
633 C4H10O2 1,4-Butanediol 1AgC2h
634 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
635 C4H10OS Diethyl sulfoxide 1AC1
636 C4H10S2 1,4-Butanedithiol 1AgC2h
637 C4H11NO Diethylhydroxylamine 1A'Cs
638 C5H12O 1-Butanol, 2-methyl- 1AC1
639 C5H12O 1-Butanol, 3-methyl- 1A'Cs
640 C5H12O 1-Pentanol 1A'Cs
641 C5H12O 2-Butanol, 3-methyl- 1AC1
642 C5H12O 2-Pentanol 1AC1
643 C5H12O Butane, 1-methoxy- 1A'Cs
644 C5H12O Propane, 1-ethoxy- 1A'Cs
645 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
646 C5H12S 1-Butanethiol, 2-methyl- 1AC1
647 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
648 C5H12S 1-Pentanethiol 1A'C1
649 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
650 C5H12S 2-Butanethiol, 3-methyl- 1AC1
651 C5H12S Butane, 1-(methylthio)- 1A'Cs
652 C5H12S Ethyl propyl sulfide 1A'Cs
653 C5H12S Propane, 2-(ethylthio)- 1A'C1
654 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
655 CF3CN Acetonitrile, trifluoro- 1A1C3v
656 B2F4 Diboron tetrafluoride 1A1D2d
657 B2Cl4 Diboron tetrachloride 1A1D2
658 C2F4 Tetrafluoroethylene 1AgD2h
659 C2Cl4 Tetrachloroethylene 1AgD2h
660 PF5 Phosphorus pentafluoride 1A1'D3h
661 PCl5 Phosphorus pentachloride 1A1'C4v
662 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
663 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
664 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
665 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
666 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
667 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
668 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
669 C5H11Cl Pentane, 1-chloro- 1A'Cs
670 SF6 Sulfur Hexafluoride 1A1GOh

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H2- hydrogen diatomic anion h2-  
4 H2+ Hydrogen cation h2+  
5 H3+ hydrogen trimer cation h3+  
6 HeH Helium hydride heh  
7 HeH+ Helium hydride cation heh+  
8 He2+ helium diatomic cation he2+  
9 K Potassium atom k  
10 K- Potassium atom anion k-  
11 K+ Potassium atom cation k+  
12 Cu Copper atom cu  
13 Cu- Copper atom anion cu-  
14 Cu+ Copper atom cation cu+  
15 LiH- lithium hydride anion lih-  
16 LiH+ lithium hydride cation lih+  
17 NaH- sodium hydride anion nah-  
18 NaH+ sodium hydride cation nah+  
19 KH Potassium hydride kh  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Ca- Calcium atom anion ca-  
23 Ca+ Calcium atom cation ca+  
24 Zn Zinc atom zn  
25 Zn- Zinc atom anion zn-  
26 Zn+ Zinc atom cation zn+  
27 BeH- berylium monohydride anion beh-  
28 BeH+ beryllium monohydride cation beh+  
29 MgH- magnesium monohydride anion mgh-  
30 MgH+ magnesium monohydride cation mgh+  
31 CaH Calcium monohydride cah  
32 CaH+ Calcium monohydride cation cah+  
33 TiH Titanium monohydride tih  
34 ZnH Zinc monohydride znh  
35 ZnH+ Zinc, protonated znh+  
36 BeH2+ Beryllium dihydride cation beh2+  
37 CaH2 Calcium Hydride cah2  
38 ZnH2 Zinc hydride znh2  
39 Sc Scandium atom sc  
40 Sc+ Scandium cation sc+  
41 Ga Gallium atom ga  
42 Ga- Gallium atom anion ga-  
43 Ga+ Gallium atom cation ga+  
44 BH- boron monohydride anion bh-  
45 BH+ boron monohydride cation bh+  
46 AlH- aluminum monohydride anion alh-  
47 AlH+ aluminum monohydride cation alh+  
48 ScH Scandium monohydride sch  
49 ScH+ Scandium monohydride cation sch+  
50 GaH Gallium monohydride gah  
51 GaH+ Gallium monohydride cation gah+  
52 BH2- boron dihydride anion bh2-  
53 BH2+ Boron dihydride cation bh2+  
54 AlH2- aluminum dihydride anion alh2-  
55 AlH2+ aluminum dihydride cation alh2+  
56 BH3- boron trihydride anion bh3-  
57 BH3+ boron trihydride cation bh3+  
58 AlH3- aluminum trihydride anion alh3-  
59 AlH3+ aluminum trihydride cation alh3+  
60 ScH3 Scandium trihydride sch3  
61 GaH3 Gallium trihydride gah3  
62 BH4 borohydride bh4  
63 BH4- borohydride anion bh4-  
64 AlH4- Aluminum tetrahydride anion alh4-  
65 Ti Titanium atom ti  
66 Ti- Titanium atom anion ti-  
67 Ti+ Titanium atom cation ti+  
68 Ge Germanium atom ge  
69 Ge- Germanium anion ge-  
70 Ge+ Germanium cation ge+  
71 Sn Tin atom sn  
72 Sn+ Tin cation sn+  
73 CH- methylidyne anion ch-  
74 CH+ Methylidyne cation ch+  
75 SiH- silicon monohydride anion sih-  
76 SiH+ silicon monohydride cation sih+  
77 GeH germylidene geh  
78 GeH+ Germaniun monohyrdide cation geh+  
79 CH2- methylene anion ch2-  
80 CH2+ methylene cation ch2+  
81 SiH2- silicon dihydride anion sih2-  
82 SiH2+ silicon dihydride cation sih2+  
83 GeH2 germylene geh2  
84 GeH2- germylene anion geh2-  
85 CH3- methyl anion ch3-  
86 CH3+ methyl cation ch3+  
87 SiH3- Silyl anion sih3-  
88 SiH3+ Silyl cation sih3+  
89 GeH3 Germyl radical geh3  
90 GeH3+ germyl cation geh3+  
91 CD4 methane-d4 cd4  
92 CH2D2 methane-d2 ch2d2  
93 CH3D methane-d ch3d  
94 CH4- Methane anion ch4-  
95 CH4+ Methane cation ch4+  
96 CHD3 methane-d3 chd3  
97 SiH2D2 silane-d2 sih2d2  
98 SiH4+ Silane cation sih4+  
99 GeH4 Germane geh4  
100 SnH4 Stannane snh4  
101 SiH5+ Silane, protonated sih5+  
102 N Nitrogen atom n  
103 V Vanadium atom v  
104 V+ Vanadium atom cation v+  
105 As- Arsenic anion as-  
106 As+ Arsenic cation as+  
107 Sb Antimony atom sb  
108 NH- Imidogen anion nh-  
109 NH+ imidogen cation nh+  
110 PH- phosphorus monohydride anion ph-  
111 PH+ phosphorus monohydride cation ph+  
112 AsH Arsenic monohydride ash  
113 AsH+ Arsenic monohydride cation ash+  
114 SbH Antimony monohydride sbh  
115 NH2- amino anion nh2-  
116 NH2+ Amino cation nh2+  
117 PH2- Phosphino anion ph2-  
118 PH2+ Phosphino cation ph2+  
119 AsH2 Arsenic dihydride ash2  
120 AsH2+ Arsenic dihydride cation ash2+  
121 NH3- Ammonia anion nh3-  
122 NH3+ ammonia cation nh3+  
123 PH3+ Phosphine cation ph3+  
124 AsH3 Arsine ash3  
125 AsH3+ Arsine cation ash3+  
126 SbH3 Stibine sbh3  
127 AsH4+ Arsonium ash4+  
128 NH4 Ammonium radical nh4  
129 NH4+ ammonium cation nh4+  
130 PH4 Phosphoranyl radical ph4  
131 PH4+ phosphonium cation ph4+  
132 Cr Chromium atom cr  
133 Te Tellurium atom te  
134 Te+ Tellurium atom cation te+  
135 OH- hydroxide anion oh-  
136 OH+ hydoxyl cation oh+  
137 HS- mercapto anion sh-  
138 HS+ sulfur monohydride cation sh+  
139 CrH Chromium hydride crh  
140 CrH+ Chromium hydride cation crh+  
141 HSe- selenium monohydride anion hse-  
142 HSe+ selenium monohydride cation hse+  
143 TeH Telluryl radical teh  
144 H2O- water anion h2o-  
145 H2O+ water cation h2o+  
146 H2S- Hydrogen sulfide anion h2s-  
147 H2S+ Hydrogen sulfide cation h2s+  
148 H2Se+ Hydrogen selenide cation h2se+  
149 H2Te Hydrogen Telluride h2te  
150 H3O+ hydronium cation h3o+  
151 H3S+ Sulfonium cation h3s+  
152 H3Se+ Hydrogen Selenide, protonated h3se+  
153 Mn Manganese atom mn  
154 I Iodine atom iodine  
155 I- Iodine atom anion iodine-  
156 I+ Iodine atom cation iodine+  
157 HF- hydrogen fluoride anion hf-  
158 HF+ hydrogen fluoride cation hf+  
159 HCl- hydrogen chloride anion hcl-  
160 HCl+ hydrogen chloride cation hcl+  
161 HBr- hydrogen bromide anion hbr-  
162 HBr+ hydrogen bromide cation hbr+  
163 HI Hydrogen iodide hi  
164 HI+ Hydrogen iodide cation hi+  
165 H2F+ dihydrogen fluoride cation h2f+  
166 H2Cl+ dihydrogen monochloride cation h2cl+  
167 H2Br+ protonated hydrogen bromide h2br+  
168 H2I+ Iodonium h2i+  
169 Fe Iron atom fe  
170 Kr Krypton atom kr  
171 Kr+ Krypton cation kr+  
172 Xe Xenon atom xe  
173 HeLi+ Helium Lithium cation heli+  
174 NeH neon hydrogen neh  
175 NeH+ neon hydrogen cation neh+  
176 ArH+ Argon hydride cation arh+  
177 KrH+ Protonated Krypton krh+  
178 XeH+ Xenon, protonated xeh+  
179 H2Ar H2 Ar dimer h2ar  
180 Co Cobalt atom cobalt  
181 Ni Nickel atom ni  
182 Li2- lithium diatomic anion li2-  
183 Li2+ lithium diatomic cation li2+  
184 NaLi lithium sodium lina  
185 NaLi- lithium sodium anion lina-  
186 NaLi+ lithium sodium cation lina+  
187 LiK Lithium Potassium lik  
188 Na2- sodium diatomic anion na2-  
189 Na2+ sodium diatomic cation na2+  
190 NaK Sodium Potassium nak  
191 NaK+ Sodium Potassium diatomic cation nak+  
192 K2 Potassium diatomic k2  
193 Cu2 Copper diatomic cu2  
194 LiBe Lithium Beryllium libe  
195 LiMg Lithium magnesium limg  
196 NaBe Sodium Beryllium nabe  
197 NaMg Sodium Magnesium namg  
198 Be2 Beryllium diatomic be2  
199 Be2- Beryllium diatomic anion be2-  
200 Be2+ Beryllium diatomic cation be2+  
201 BeMg Beryllium Magnesium bemg  
202 Mg2- magnesium diatomic anion mg2-  
203 Mg2+ magnesium diatomic cation mg2+  
204 Ca2 Calcium diatomic ca2  
205 LiB Lithium boride lib  
206 LiAl Lithium Aluminum lial  
207 NaAl Sodium aluminum naal  
208 BeB Beryllium monoboride beb  
209 B2- Boron diatomic anion b2-  
210 B2+ Boron diatomic cation b2+  
211 BAl Boron Aluminum bal  
212 Al2- aluminum diatomic anion al2-  
213 Al2+ aluminum diatomic cation al2+  
214 BGa Boron Gallium bga  
215 AlGa Aluminum Gallium alga  
216 Ga2 Gallium diatomic ga2  
217 HBBH Diborane(2) hbbh  
218 LiBH4 Lithium borohydride libh4  
219 B2H4 Diborane(4) D2d b2h4  
220 HBHHBH Diborane(4) C2V hbhhbh  
221 B2H6+ Diborane cation b2h6  
222 Al2H6 dialane al2h6  
223 Ga2H6 digallane ga2h6  
224 LiC Lithium Carbide lic  
225 BeC Beryllium Carbide bec  
226 CaC Calcium monocarbide cac  
227 BC boron monocarbide bc  
228 BC- boron monocarbide anion bc-  
229 BC+ boron monocarbide cation bc+  
230 AlC Aluminum carbide alc  
231 BSi Boron silicide bsi  
232 C2- carbon diatomic anion c2-  
233 C2+ carbon diatomic cation c2+  
234 SiC silicon monocarbide sic  
235 SiC- silicon monocarbide anion sic-  
236 SiC+ silicon monocarbide cation sic+  
237 Si2- silcon diatomic anion si2-  
238 Si2+ silcon diatomic cation si2+  
239 GeC Germanium monocarbide gec  
240 SiGe Silicon Germanium sige  
241 Ge2 Germanium diatomic ge2  
242 C2H- Ethynyl anion c2h-  
243 C2H+ Ethynyl cation c2h+  
244 ZnCH2 Zinc methylene znch2  
245 C2H2+ acetylene cation c2h2+  
246 CCH2 vinylidene vinylidene  
247 H2CC- vinylidene anion h2cc-  
248 HCCH- acetylene anion c2h2-  
249 Si2H2 disilyne si2h2  
250 CH3Li methyl lithium ch3li  
251 CuCH3 monomethyl copper cuch3  
252 ZnCH3 Zinc monomethyl znch3  
253 CH2BH methyleneborane ch2bh  
254 C2H3- vinyl anion c2h3-  
255 C2H3+ vinyl cation c2h3+  
256 C2H4- Ethylene anion c2h4-  
257 C2H4+ Ethylene cation c2h4+  
258 CH3CH methylmethylene ch3ch  
259 CH2SiH2 silaethylene ch2sih2  
260 Si2H4 Disilene si2h4  
261 CH3BH2 methylborane ch3bh2  
262 C2H5- Ethyl anion c2h5-  
263 C2H5+ Ethyl cation c2h5+  
264 C2H6+ ethane cation c2h6+  
265 GeH3CH3 methyl germane geh3ch3  
266 C2H7+ Ethane, protonated c2h7+  
267 LiN Lithium Nitride lin  
268 LiN+ Lithium Nitride cation lin+  
269 LiP Lithium monophosphide lip  
270 BeN Beryllium mononitride ben  
271 BeN- Beryllium mononitride anion ben-  
272 BeN+ Beryllium mononitride cation ben+  
273 MgN Magnesium Nitride mgn  
274 BN- boron nitride anion bn-  
275 AlN- aluminum mononitride anion aln-  
276 AlN+ aluminum mononitride cation aln+  
277 BP Boron monophosphide bp  
278 AlP Aluminum monophosphide alp  
279 GaN Gallium mononitride gan  
280 GaP Gallium monophosphide gap  
281 GaAs Gallium arsenide gaas  
282 BN+ boron nitride cation bn+  
283 CN- cyanide anion cn-  
284 CN+ Cyano cation cn+  
285 CP- carbon monophosphide anion cp-  
286 CP+ carbon monophosphide cation cp+  
287 SiN- silicon mononitride anion sin-  
288 SiN+ silicon mononitride cation sin+  
289 SiP Silicon monophosphide sip  
290 SiP- Silicon monophosphide anion sip-  
291 SiP+ Silicon monophosphide cation sip+  
292 TiN Titanium mononitride tin  
293 N2- nitrogen diatomic anion n2-  
294 N2+ diatomic nitrogen cation n2+  
295 PN- phosphorus nitride anion pn-  
296 PN+ phosphorus nitride cation pn+  
297 P2- phosphorus diatomic anion p2-  
298 P2+ phosphorus diatomic cation p2+  
299 AsN Arsenic mononitride asn  
300 AsP Arsenic monophosphide asp  
301 SbN Antimony nitride sbn  
302 As2 Arsenic diatomic as2  
303 HNB hydrogen nitrogen boron hnb  
304 HCN- Hydrogen cyanide anion hcn-  
305 HCN+ hydrogen cyanide cation hcn+  
306 HNC+ hydrogen isocyanide cation hnc+  
307 HCP+ Phosphaethyne cation hcp+  
308 NNH Dinitrogen monohydride nnh  
309 NNH+ Dinitrogen monohydride cation nnh+  
310 HPO+ Hydrogen phosphorus oxide cation hpo+  
311 LiNH2 lithium amide linh2  
312 HBNH Boranimine hbnh  
313 CNH2 Aminomethylidyne radical cnh2  
314 CNH2+ N-protonated hydrogen isocyanide cnh2+  
315 H2CN Dihydrogen cyanide radical h2cn  
316 H2CN+ hydrocyanonium cation h2cn+  
317 HCNH methyleneazane hcnh  
318 HCNH+ N-protonated HCN hcnh+  
319 H2NN Isodiazene h2nn  
320 N2H2 (Z)-Diazene n2h2z  
321 N2H2+ trans-diazene cation n2h2+  
322 CH2NH+ Methanimine cation ch2nh+  
323 CHNH2 aminomethylene chnh2  
324 CHNH2+ Aminocarbene cation chnh2+  
325 BH2NH2 Boranamine bh2nh2  
326 CH2NH2+ methyleneamine cation ch2nh2+  
327 N2H4+ hydrazine cation n2h4+  
328 CH3NH2+ methyl amine cation ch3nh2+  
329 SiH3NH2 Silane, amino sih3nh2  
330 N2H5+ protonated hydrazine n2h5+  
331 BH3PH3 borane phosphine bh3ph3  
332 BH3NH3 borane ammonia bh3nh3  
333 CH3NH3 methyl ammonium radical ch3nh3  
334 CH3NH3+ protonated methylamine ch3nh3+  
335 CH3PH3+ methyl phosphine, protonated ch3ph3+  
336 N2H7+ ammonia ammonium dimer n2h7+  
337 LiO- lithium oxide anion lio-  
338 LiO+ lithium oxide cation lio+  
339 LiS Lithium monosulfide lis  
340 LiS+ Lithium sulfide cation lis+  
341 NaO- sodium oxide anion nao-  
342 NaO+ sodium oxide cation nao+  
343 KO Potassium monoxide ko  
344 KO+ Potassium monoxide cation ko+  
345 NaS Sodium sulfide nas  
346 CuO Copper Monoxide cuo  
347 LiSe Lithium monoselenide lise  
348 BeO- Beryllium monoxide anion beo-  
349 BeO+ Beryllium monoxide cation beo+  
350 MgO- magnesium oxide anion mgo-  
351 MgO+ magnesium oxide cation mgo+  
352 CaO Calcium monoxide cao  
353 MgS- magnesium sulfide anion mgs-  
354 MgS+ magnesium sulfide cation mgs+  
355 CaS Calcium sulfide cas  
356 ZnO zinc monoxide zno  
357 ZnS Zinc sulfide zns  
358 BeS- Beryllium monosulfide anion bes-  
359 BeS+ Beryllium monosulfide cation bes+  
360 BO- boron monoxide anion bo-  
361 AlO- Aluminum monoxide anion alo-  
362 AlO+ aluminum monoxide cation alo+  
363 BS- boron monosulfide anion bs-  
364 BS+ boron monosulfide cation bs+  
365 AlS- aluminum monosulfide anion als-  
366 AlS+ aluminum monosulfide cation als+  
367 ScO Scandium monoxide sco  
368 GaO Gallium monoxide gao  
369 GaS Gallium monosulfide gas  
370 BO+ boron monoxide cation bo+  
371 CO- carbon monoxide anion co-  
372 CO+ carbon monoxide cation co+  
373 CS- carbon monosulfide anion cs-  
374 CS+ carbon monosulfide cation cs+  
375 SiO- silicon monoxide anion sio-  
376 SiO+ silicon monoxide cation sio+  
377 SiS- silicon monosulfide anion sis-  
378 SiS+ silicon monosulfide cation sis+  
379 TiO Titanium monoxide tio  
380 CSe Carbon monoselenide cse  
381 CSe- Carbon monoselenide anion cse-  
382 CSe+ Carbon monoselenide cation cse+  
383 GeO Germanium monoxide geo  
384 GeO+ Germanium monoxide cation geo+  
385 GeS Germanium monosulfide ges  
386 SiSe Silicon Monoselenide sise  
387 SiSe+ Silicon Monoselenide cation sise+  
388 GeSe Germanium monoselenide gese  
389 NO- nitric oxide anion no-  
390 NO+ nitric oxide cation no+  
391 NS- nitrogen sulfide anion ns-  
392 NS+ nitrogen sulfide cation ns+  
393 PO- phosphorus monoxide anion po-  
394 PO+ phosphorus monoxide cation po+  
395 PS- phosphorus monosulfide anion ps-  
396 PS+ phosphorus monosulfide cation ps+  
397 VO Vanadium monoxide vo  
398 AsO Arsenic monoxide aso  
399 NSe Nitrogen monoselenide nse  
400 AsS Arsenic monosulfide ass  
401 PSe Phosphorus monoselenide pse  
402 AsSe Arsenic monoselenide asse  
403 O2- oxygen diatomic anion o2-  
404 O2-- dioxygen dianion o2--  
405 O2+ diatomic oxygen cation o2+  
406 SO- sulfur monoxide anion so-  
407 SO+ sulfur monoxide cation so+  
408 S2- sulfur diatomic anion s2-  
409 S2+ sulfur diatomic cation s2+  
410 SeO- selenium monoxide anion seo-  
411 SeO+ selenium monoxide cation seo+  
412 SeS Selenium monosulfide ses  
413 SeS- selenium monosulfide anion ses-  
414 SeS+ selenium monosulfide cation ses+  
415 TeO Tellurium monoxide teo  
416 Se2- selenium diatomic anion se2-  
417 Se2+ selenium diatomic cation se2+  
418 Te2 Tellurium diatomic te2  
419 KOH Potassium hydroxide koh  
420 CaOH Calcium monohydroxide caoh  
421 COH Hydroxymethylidyne coh  
422 COH+ Carbon Monoxide, protonated coh+  
423 HCO- formyl anion hco-  
424 HCO+ Formyl cation hco+  
425 HCS Thioformyl radical hcs  
426 HCS- Thioformyl anion hcs-  
427 HCS+ Thioformyl cation hcs+  
428 HNO- Nitrosyl hydride anion hno-  
429 HNO+ Nitrosyl hydride cation hno+  
430 NOH Hydroxyimidogen noh  
431 NOH+ O-protonated nitric oxide noh+  
432 HNS Sulfur imide hns  
433 HNS- Sulfur imide anion hns-  
434 HO2- Hydroperoxy anion ho2-  
435 HO2+ Hydroperoxy cation ho2+  
436 HSO+ Sulfur Monoxide, S-protonated HSO+  
437 SOH Sulfur Hydroxide soh  
438 SOH+ Sulfur Monoxide, protonated soh+  
439 HS2 Thiosulfeno radical hs2  
440 H2CO- formaldehyde anion h2co-  
441 H2CO+ formaldehyde cation h2co+  
442 HOCH hydroxycarbene hoch  
443 H2CS- thioformaldehyde anion h2cs-  
444 H2CS+ thioformaldehyde cation h2cs+  
445 H2CSe Selenoformaldehyde h2cse  
446 H2NO nitroxide h2no  
447 H2O2+ Hydrogen peroxide cation h2o2+  
448 H2OO water oxide h2oo  
449 HOSH hydrogen thioperoxide hosh  
450 H2S2+ hydrogen disulfide cation h2s2+  
451 H2Se2 hydrogen diselenide h2se2  
452 CH2OH+ hydroxymethyl cation ch2oh+  
453 CH3O- methoxy anion ch3o-  
454 CH3O+ Methoxy cation ch3o+  
455 H2CSH+ Thioformaldehyde, protonated h2csh+  
456 NH2OH+ Hydroxylamine cation nh2oh+  
457 NH3O Ammonia Oxide nh3o  
458 H2POH Phosphinous acid h2poh  
459 H3PO Phosphine oxide h3po  
460 NH2SH Thiohydroxylamine nh2sh  
461 NH3S sulfidoazane nh3s  
462 H3O2+ hydrogen peroxide, protonated h3o2+  
463 CH3OH- Methyl alcohol anion ch3oh-  
464 CH3OH+ Methyl alcohol cation ch3oh+  
465 CH3SH+ Methanethiol cation ch3sh+  
466 SiH3OH silanol sih3oh  
467 NH2OH2+ protonated hydroxylamine nh2oh2+  
468 NH3OH+ N-protonated hydroxylamine nh3oh+  
469 CH3OH2+ Methanol, protonated ch3oh2+  
470 CH3SH2+ protonated methylsulfide ch3sh2+  
471 H5O2+ Dihydroxonium ion h5o2+  
472 LiCl- lithium chloride anion licl-  
473 LiCl+ lithium chloride cation licl+  
474 NaF- sodium fluoride anion naf-  
475 NaF+ sodium fluoride cation naf+  
476 KF Potassium Fluoride kf  
477 NaCl- sodium chloride anion nacl-  
478 NaCl+ sodium chloride cation nacl+  
479 KCl Potassium Chloride kcl  
480 CuF Copper monofluoride cuf  
481 LiBr- lithium bromide anion libr-  
482 LiBr+ lithium bromide cation libr+  
483 CuCl Copper monochloride cucl  
484 NaBr- sodium bromide anion nabr-  
485 NaBr+ sodium bromide cation nabr+  
486 KBr Potassium Bromide kbr  
487 LiI Lithium Iodide lii  
488 NaI Sodium Iodide nai  
489 KI Potassium Iodide ki  
490 LiF- lithium fluoride anion lif-  
491 LiF+ lithium fluoride cation lif+  
492 BeF- Beryllium monofluoride anion bef-  
493 BeF+ Beryllium monofluoride cation bef+  
494 MgF- magnesium fluoride anion mgf-  
495 MgF+ magnesium fluoride cation mgf+  
496 CaF Calcium monofluoride caf  
497 MgCl- magnesium monochloride anion mgcl-  
498 MgCl+ magnesium monochloride cation mgcl+  
499 CaCl calcium monochloride cacl  
500 TiCl Titanium Monochloride ticl  
501 ZnF Zinc monofluoride znf  
502 ZnF- Zinc monofluoride anion znf-  
503 ZnF+ Zinc monofluoride cation znf+  
504 ZnCl Zinc monochloride zncl  
505 CaBr Calcium monobromide cabr  
506 BeCl- beryllium monochloride anion becl-  
507 BeCl+ beryllium monochloride cation becl+  
508 BF- Boron monofluoride anion bf-  
509 BF+ Boron monofluoride cation bf+  
510 AlF- Aluminum monofluoride anion alf-  
511 AlF+ Aluminum monofluoride cation alf+  
512 BCl- boron monochloride anion bcl-  
513 BCl+ boron monochloride cation bcl+  
514 AlCl Aluminum monochloride alcl  
515 AlCl- aluminum monochloride anion alcl-  
516 AlCl+ aluminum monochloride cation alcl+  
517 ScF Scandium monofluoride scf  
518 BBr Boron monobromide bbr  
519 GaF Gallium monofluoride gaf  
520 GaF+ Gallium monofluoride cation gaf+  
521 AlBr Aluminum monobromide albr  
522 GaCl Gallium monochloride gacl  
523 GaCl+ Gallium monochloride cation gacl+  
524 AlI Aluminum monoiodide ali  
525 GaBr Gallium monobromide gabr  
526 CF- carbon monofluoride anion cf-  
527 CF+ carbon monofluoride cation cf+  
528 CCl- carbon monochloride anion ccl-  
529 CCl+ carbon monochloride cation ccl+  
530 SiF- silicon monofluoride anion sif-  
531 SiF+ silicon monofluoride cation sif+  
532 SiCl- silicon monochloride anion sicl-  
533 SiCl+ silicon monochloride cation sicl+  
534 CBr Carbon monobromide cbr  
535 GeF Germanium monofluoride gef  
536 GeF+ Germanium monofluoride cation gef+  
537 GeCl Germanium monochloride gecl  
538 GeCl+ Germanium monochloride cation gecl+  
539 SiBr Silicon monobromide sibr  
540 SiBr+ Silicon monobromide cation sibr+  
541 NF- nitrogen monofluorine anion nf-  
542 NF+ nitrogen monofluoirde cation nf+  
543 NCl nitrogen monochloride ncl  
544 NCl- nitrogen monochloride anion ncl-  
545 NCl+ nitrogen monochloride cation ncl+  
546 PF- phosphorus monofluoride anion pf-  
547 PF+ phosphorus monofluoride cation pf+  
548 PCl- phosphorus monochloride anion pcl-  
549 PCl+ phosphorus monochloride cation pcl+  
550 AsF Arsenic monofluoride asf  
551 NBr nitrogen monobromide nbr  
552 AsCl Arsenic monochloride ascl  
553 PBr Phosphorus monobromide pbr  
554 SbF Antimony monofluoride sbf  
555 SbCl Antimony monochloride sbcl  
556 FO- flourine oxide anion fo-  
557 FO+ fluorine monoxide cation fo+  
558 ClO- chlorine monoxide anion clo-  
559 ClO+ chlorine monoxide cation clo+  
560 SF- sulfur monofluoride anion sf-  
561 SF+ sulfur monofluoride cation sf+  
562 SCl- sulfur monochloride anion scl-  
563 SCl+ sulfur monochloride cation scl+  
564 BrO Bromine monoxide bro  
565 BrO- Bromine monoxide anion bro-  
566 BrO+ Bromine monoxide cation bro+  
567 SeF Selenium monofluoride sef  
568 SBr Sulfur monobromide radical sbr  
569 SBr+ Sulfur monobromide cation sbr+  
570 SeCl Selenium monochloride secl  
571 IO Iodine monoxide io  
572 SeBr Selenium monobromide sebr  
573 F2- flourine diatomic anion f2-  
574 F2+ flourine diatomic cation f2+  
575 ClF- clorine monofluoride anion clf-  
576 ClF+ clorine monofluoride cation clf+  
577 Cl2- chlorine diatomic anion cl2-  
578 Cl2+ chlorine diatomic cation cl2+  
579 BrF- bromine fluoride anion brf-  
580 BrF+ bromine fluoride cation brf+  
581 BrCl- bromine chloride anion brcl-  
582 BrCl+ bromine chloride cation brcl+  
583 IF Iodine monofluoride if  
584 Br2- bromine diatomic anion br2-  
585 Br2+ bromine diatomic cation br2+  
586 ICl Iodine monochloride icl  
587 IBr Iodine monobromide ibr  
588 I2 Iodine diatomic i2  
589 I2+ Iodine diatomic cation i2+  
590 HCCl Chloromethylene hccl  
591 HSiF fluorosilylene hsif  
592 HSiCl Chlorosilylene hsicl  
593 HSiBr monobromosilylene hsibr  
594 CHBr bromomethylene chbr  
595 HOCl+ hypochlorous acid cation hocl+  
596 HOBr+ Hypobromous acid cation hobr+  
597 HOI Hypoiodous acid hoi  
598 F2H+ Fluorine, protonated f2h+  
599 FHF Hydrogen difluoride fhf  
600 FHF- Hydrogen difluoride anion fhf-  
601 ClFH+ Chlorine fluoride, F-protonated clfh+  
602 FClH+ Chlorine fluoride, Cl-protonated fclh+  
603 Cl2H+ Chlorine, protonated cl2h+  
604 CH2Br bromomethyl radical ch2br  
605 CH2F fluoromethyl radical ch2f  
606 CH2F+ fluoromethyl cation ch2f+  
607 CH2Cl+ chloromethyl cation ch2cl+  
608 CH2Cl chloromethyl radical ch2cl  
609 NH2F monofluoroamine nh2f  
610 NH2Cl chloramine nh2cl  
611 CH3F+ methyl fluoride cation ch3f+  
612 CD3F methylfluoride-d3 cd3f  
613 CD3Cl methyl chloride d3 cd3cl  
614 CH3Cl+ Methyl chloride cation ch3cl+  
615 GeH3F monofluorogermane geh3f  
616 GeH3Cl monochlorogermane geh3cl  
617 SiH3Br bromosilane sih3br  
618 CH3I methyl iodide ch3i  
619 SiH3I Silyl Iodide sih3i  
620 NH3Cl+ protonated monochloroammonia nh3cl+  
621 CH3ClH+ methyl chloride, protonated ch3clh+  
622 NH4Cl Ammonium chloride nh4cl  
623 LiNe+ Lithium Neon cation line+  
624 Ne2 Neon diatomic ne2  
625 Ne2+ Neon diatomic cation ne2+  
626 Ar2 Argon diatomic ar2  
627 Ar2+ Argon diatomic cation ar2+  
628 Li3 Lithium trimer li3  
629 Li3+ Lithium trimer cation li3+  
630 C3+ carbon trimer cation c3+  
631 SiC2 Silicon dicarbide sic2  
632 C3H3 cyclopropenyl radical cpr  
633 C3H3- Propargyl anion c3h3-  
634 C3H3+ cyclopropenyl cation cpr+  
635 C3H3+ Propargyl cation c3h3+  
636 C3H4 cyclopropene cprop  
637 C3H5+ Allyl cation allyl+  
638 CH3CHCH 1-propenyl radical ch3chch  
639 Zn(CH3)2 dimethyl zinc dmz  
640 C3H7+ cyclopropane, protonated c3h7+  
641 CH3CHCH3+ Isopropyl cation prop2yl+  
642 SiH2(CH3)2 dimethylsilane dms  
643 Si3H8 trisilane si3h8  
644 LiCN lithium cyanide licn  
645 NaCN Sodium Cyanide nacn  
646 KCN Potassium cyanide kcn  
647 CuCN Copper cyanide cucn  
648 ZnCN Zinc monocyanide zncn  
649 ZnNC Zinc isocyanide znnc  
650 AlCN Aluminum monocyanide alcn  
651 AlNC Aluminum isocyanide alnc  
652 CN2 3H-Diazirin-3-ylidene cn2  
653 CNN Diazocarbene cnn  
654 NCN Cyanoimidogen ncn  
655 N3 azide radical n3  
656 N3- azide anion n3-  
657 N3+ azide cation n3+  
658 HCCN cyanomethylene hccn  
659 HCNN diazomethyl radical hcnn  
660 HN3+ Hydrazoic acid cation hn3+  
661 HNCNH diiminomethane hncnh  
662 CH2N2 diazirine ch2n2  
663 CH2NN diazomethane ch2nn  
664 NH2CN cyanamide cyanamide  
665 HNNNH+ 1,2-Triazadienium n2h3+  
666 NH2NN+ hydrazoic acid, protonated nh2nn+  
667 CH3CN- acetonitrile anion ch3cn-  
668 CH3CN+ Acetonitrile cation ch3cn+  
669 CHNCH2 2H-Azirine c157164  
670 CHNHCH 1H-Azirine chnhch  
671 H2CCNH Ethenimine ch2cnh  
672 H2CNCH methyleneaminomethylene ch2nch  
673 HCCNH2 Ethynamine hccnh2  
674 HCNCH2+ 2H-Azirine cation hcnch2+  
675 HNCNH2+ diiminomethane, protonated hncnh2+  
676 NCNH3+ Cyanamide, protonated ncnh3+  
677 NH2CNH+ cyanamide, cn protonated nh2cnh+  
678 NH3CN+ cyanamide, amine protonated nh3cn+  
679 CH2CHNH vinylazine ch2chnh  
680 CH3CHN methylmethaniminyl radical ch3chn  
681 CH2CHNH2 aminoethene aminoethene  
682 CH2NCH3 N-methylmethanimine nmm  
683 CH3CHNH ethanimine ethanimine  
684 NH2BHNH2 diaminoborane nh2bhnh2  
685 C2H5NH+ Protonated Aziridine c2h5nh+  
686 C2H6N+ aziridine, protonated c2h6n+  
687 NH2CH2NH2 diaminomethane nh2ch2nh2  
688 CH3PHCH3 dimethylphosphine ch3phch3  
689 NH2CH2NH3+ diaminoethane, protonated pdam  
690 (CH3)2NH2+ dimethylammonium cation dmam  
691 CH3CH2NH3+ ethylamine, protonated pea  
692 Li2O+ dilithium oxide cation li2o+  
693 Li2S dilithium sulfide li2s  
694 Na2O disodium monoxide na2o  
695 Na2S Sodium sulfide na2s  
696 LiO2 Lithium dioxide lio2  
697 NaO2 Sodium superoxide nao2  
698 CCO Dicarbon monoxide cco  
699 CNO- fulminate cno-  
700 NCO isocyanato radical nco  
701 NCO- cyanate nco-  
702 SCN thiocyanato radical scn  
703 SCN- thiocyanide anion scn-  
704 BO2- Boron dioxide anion bo2-  
705 BO2+ Boron dioxide cation bo2+  
706 N2O- Nitrous oxide anion n2o-  
707 N2O+ Nitrous oxide cation n2o+  
708 NNS Nitrogen sulfide nns  
709 PPO Phosphorus oxide phosphide ppo  
710 CO2- Carbon dioxide anion co2-  
711 CO2+ Carbon dioxide cation co2+  
712 OCS+ Carbonyl sulfide cation cos+  
713 CS2- Carbon disulfide anion cs2-  
714 CS2+ Carbon disulfide cation cs2+  
715 TiO2 Titanium dioxide tio2  
716 SiS2 Silicon disulfide sis2  
717 GeO2 Germanium dioxide geo2  
718 SCSe Carbon sulfide selenide scse  
719 GeS2 Germanium disulfide ges2  
720 CSe2 Carbon diselenide cse2  
721 SCTe Carbon sulfide Telluride scte  
722 NO2- Nitrogen dioxide anion no2-  
723 NO2+ Nitrogen dioxide cation no2+  
724 NSO sulfinyl amidogen NSO  
725 PO2- Phosphorus dioxide anion po2-  
726 PO2+ Phosphorus dioxide cation po2+  
727 SNO Nitrogen oxide sulfide sno  
728 AsO2 Aresenic dioxide aso2  
729 O3- Ozone anion o3-  
730 O3+ Ozone cation o3+  
731 SO2- Sulfur dioxide anion so2-  
732 SO2+ Sulfur dioxide cation so2+  
733 S3 Sulfur trimer s3  
734 S3- Sulfur trimer anion s3-  
735 S3+ Sulfur trimer cation s3+  
736 SeO2+ Selenium dioxide cation seo2+  
737 TeO2 Tellurium Dioxide teo2  
738 HCCO ketenyl radical ketenyl  
739 CS2H+ Carbon disulfide, protonated cs2h+  
740 HNCS Isothiocyanic acid hncs  
741 HSCN thiocyanic acid hscn  
742 HCO2- formate anion hco2-  
743 HNNO nitrosoazane hnno  
744 HNNO+ Nitrous oxide, N-protonated hnno+  
745 NNOH+ Nitrous Oxide, O-protonated nnoh+  
746 HCOO formate neutral radical hcoo  
747 HOCO Hydrocarboxyl radical hoco  
748 HOCO+ Hydrocarboxyl cation hoco+  
749 HNO2+ nitrous acid cation hno2+  
750 O3H+ protonated ozone o3h+  
751 SO2H+ protonated sulfur dioxide so2h+  
752 C2H2O Oxirene oxirene  
753 CH2CO+ Ketene cation ch2co+  
754 CH2CS Thioketene ch2cs  
755 Be(OH)2 Beryllium hydroxide beo2h2  
756 Mg(OH)2 Magnesium dihydroxide h2mgo2  
757 NH2NO Nitrosamide nh2no  
758 CH2O2 Dioxirane diox  
759 H2COO Dioxymethyl radical h2coo  
760 H2COO+ dioxymethyl cation h2coo+  
761 H2O3 Hydrogen trioxide h2o3  
762 HSSSH trisulfane hsssh  
763 NaOCH3 Sodium methoxide naoch3  
764 CH2BOH hydroxy(methylene)borane ch2boh  
765 BH3CO Borane carbonyl bh3co  
766 CH3BO Borane, methyloxo- ch3bo  
767 CH2CHO Vinyloxy radical ch2cho  
768 CH2COH+ ketene, protonated ch2coh+  
769 CH3CO- Acetyl anion ch3co-  
770 CH3CO+ acetyl cation ch3co+  
771 CH2NOH formaldoxime ch2noh  
772 CH3NO nitrosomethane ch3no  
773 CNOH3 1,2-oxaziridine cnoh3  
774 HOCHNH hydroxymethylimine hochnh  
775 CHSNH2 thioformamide chsnh2  
776 NHCHSH Methanimidothioic acid nhchsh  
777 CH2OOH CH2OOH radical ch2ooh  
778 CH3OO- methylperoxy anion ch3oo-  
779 CH3OO+ methylperoxy cation ch3oo+  
780 C2H4O+ ethylene oxide cation c2h4o+  
781 CH3CHO+ acetaldehyde cation ch3cho+  
782 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
783 CH2CHSH Ethenethiol ch2chsh  
784 H2CONH2+ protonated formamide h2conh2+  
785 NH2CHOH+ Formamide, O-protonated nh2choh+  
786 NH3CHO+ Formamide, N-Protonated nh3cho+  
787 CH2(OH)2 methanediol ch2o2h2  
788 CH3SSH Hydrogen methyl disulfide ch3ssh  
789 HSCH2SH Methanedithiol ch4s2  
790 C2H4OH+ ethylene oxide, protonated c2h4oh+  
791 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
792 CH3CH2O Ethoxy radical ethoxy  
793 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
794 CH3CHOH+ acetaldehyde, protonated ch3choh+  
795 CH3OCH2 methoxymethyl radical ch3och2  
796 NH2CH2OH aminomethanol nh2ch2oh  
797 CH3SCH3+ dimethyl sulfide cation mesme+  
798 CH3SeCH3 dimethylselenide dmse  
799 CuF2 Copper difluoride cuf2  
800 ZnF2 Zinc difluoride znf2  
801 CNF iso cyanogen fluoride cnf  
802 ICN Cyanogen iodide icn  
803 FBO Boron monofluoride monoxide fbo  
804 BeF2 Beryllium fluoride bef2  
805 MgF2 Magnesium fluoride mgf2  
806 BeCl2 Beryllium chloride becl2  
807 CaCl2 Calcium Chloride cacl2  
808 ZnCl2 Zinc dichloride zncl2  
809 BeBr2 Beryllium bromide bebr2  
810 CaBr2 Calcium dibromide cabr2  
811 CaF2 Calcium difluoride caf2  
812 FCO Carbonyl fluoride fco  
813 FCO+ Carbonyl fluoride cation fco+  
814 ClCO carbonyl monochloride clco  
815 BF2 Boron difluoride radical bf2  
816 FNS Thionitrosyl fluoride fns  
817 FSN Thiazyl fluoride fsn  
818 OPCl Phosphorus oxychloride opcl  
819 BrNO Nitrosyl bromide brno  
820 INO Nitrosyl iodide ino  
821 CF2- Difluoromethylene anion cf2-  
822 CF2+ Difluoromethylene cation cf2+  
823 CFCl chlorofluoromethylene cfcl  
824 SiF2 Silicon difluoride sif2  
825 SiF2+ Silicon difluoride cation sif2+  
826 CCl2- dichloromethylene anion ccl2-  
827 CCl2+ dichloromethylene cation ccl2+  
828 GeF2 Germanium difluoride gef2  
829 GeCl2 Germanium dichloride gecl2  
830 CBr2 dibromomethylene cbr2  
831 FOO+ Fluorine dioxide cation foo+  
832 ClOO+ chloroperoxy cation cloo+  
833 OClO- Chlorine dioxide anion oclo-  
834 OClO+ Chlorine dioxide cation oclo+  
835 ClSO Sulfur chloride oxide clso  
836 BrOO Bromine dioxide broo  
837 OBrO Bromine dioxide radical obro  
838 NF2+ Difluoroamino cation nf2+  
839 PF2 Phosphorus difluoride pf2  
840 PF2+ Phosphorus difluoride cation pf2+  
841 FClO chlorosyl fluoride fclo  
842 ClOF Chlorine hypofluorite clof  
843 SF2- sulfur difluoride anion sf2-  
844 SF2+ sulfur difluoride cation sf2+  
845 SeF2 Selenium difluoride sef2  
846 BrOCl Bromine hypochlorite brocl  
847 SeCl2 Selenium Dichloride secl2  
848 SBr2 Sulfur dibromide sbr2  
849 SeBr2 Selenium dibromide sebr2  
850 BrOBr Bromine oxide brobr  
851 F3- trifluoride anion f3-  
852 Cl3- trichloride anion cl3-  
853 Br3- tribromide anion br3-  
854 I3- triiodide i3-  
855 SFCl Sulfur chloride fluoride sfcl  
856 HCCF+ fluoroacetylene cation hccf+  
857 HCCCl Chloroacetylene hcccl  
858 HCCBr bromoacetylene hccbr  
859 HFCO formyl fluoride hfco  
860 HFCO+ formyl fluoride cation hfco+  
861 COHCl Formyl chloride cohcl  
862 COHBr Formyl bromide cohbr  
863 CHCl2 dichloromethyl radical chcl2  
864 CHF2 difluoromethyl radical chf2  
865 CHF2+ difluoromethyl cation chf2+  
866 CHFCl Chlorofluoromethyl radical chfcl  
867 CHFCl+ Chlorofluoromethyl cation chfcl+  
868 CHCl2+ dichloromethyl cation chcl2+  
869 CHBr2 dibromomethyl radical chbr2  
870 HOClO Chlorous acid hoclo  
871 NHF2 difluoramine nhf2  
872 NHCl2 dichloroamine nhcl2  
873 SiH2F2 difluorosilane sih2f2  
874 CH2BrF Methane, bromofluoro- ch2fbr  
875 CH2BrCl Methane, bromochloro- ch2clbr  
876 CH2FI fluoroiodomethane ch2fi  
877 CH2ClI chloroiodomethane ch2cli  
878 CH2BrI bromoiodomethane ch2bri  
879 CH2I2 Diiodomethane ch2i2  
880 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
881 CH2CHF+ fluoroethene cation ch2chf+  
882 C2H3I Vinyl iodide c2h3i  
883 CH2FOH fluoromethanol ch2foh  
884 CH3OCl methyl hypochlorite ch3ocl  
885 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
886 CHClCH3 1-chloroethyl radical chclch3  
887 CH3SiFH2 fluoromethylsilane ch3sifh2  
888 C2H5I Ethyl iodide c2h5i  
889 KrF2 Krypton difluoride krf2  
890 XeF2 Xenon difluoride xef2  
891 B4H10 Tetraborane(10) b4h10  
892 C4+ Carbon tetramer cation c4+  
893 C4H2+ diacetlyene cation c4h2+  
894 C4H4 cyclobutadiene cbd  
895 C4H4 Tetrahedrane c4h4  
896 CHCCH2CH3 1-Butyne c107006  
897 CH3CHCHCH2 methylallyl radical c4h7  
898 C4H8 methylcyclopropane mcp  
899 CH2CHCH2CH3 1-Butene bute1  
900 B(CH3)3 trimethylborane bme3  
901 Al(CH3)3 trimethyl aluminum tma  
902 SiH(CH3)3 trimethylsilane trimsi  
903 Li3N trilithium nitride li3n  
904 C2N2+ Cyanogen cation c2n2+  
905 As4 Arsenic tetramer as4  
906 HCCCN+ Cyanoacetylene cation hcccn+  
907 H2CNCN cyanamide, methylene ch2ncn  
908 HNCCNH Ethenediimine hnccnh  
909 C3H3N+ acrylonitrile cation ch2chcn+  
910 CH3N3 methyl azide ch3n3  
911 NH2CCNH2 Diaminoacetylene daa  
912 NH2CH2CN Aminoacetonitrile aan  
913 CH3NHN2+ methyl azide, protonated ch3nhn2+  
914 C2H5CN ethyl cyanide c2h5cn  
915 CH5N3 Guanidine guanidine  
916 C4H6 Bicyclo[1.1.0]butane c157335  
917 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
918 H2NCHCHNH2 diaminoethylene dae  
919 CH6N3+ guanidinium ch6n3+  
920 CH7N3 triaminomethane tam  
921 C3H7N Azetidine azet  
922 CH3NHNHCH3 dimethyl hydrazine dmh  
923 P(CH3)3 trimethylphosphine tmp  
924 N(SiH3)3 trisilylamine tsa  
925 As(CH3)3 trimethyl arsine tmas  
926 (CH3)3NH+ protonated trimethyl amine ptma  
927 C3H7NH3+ n-propylamine, protonated c3h7nh2  
928 Li2O2 dilithium dioxide li2o2  
929 Na2O2 disodium dioxide na2o2  
930 K2O2 dipotassium dioxide k2o2  
931 C3O Tricarbon monoxide c3o  
932 ONNO NO dimer onno  
933 S2N2 Disulfur dinitride s2n2  
934 CO3 Carbon trioxide co3  
935 CO3-- carbonate co3--  
936 CS3-- Carbonotrithioate cs3--  
937 NO3- nitrate anion no3-  
938 NO3+ nitrogen trioxide cation no3+  
939 SO3- Sulfur trioxide anion so3-  
940 SO3-- Sulfate dianion so3--  
941 SO3+ Sulfur trioxide cation so3+  
942 SeO3 selenium trioxide seo3  
943 S4 Sulfur tetramer s4  
944 TeO3 Tellurium trioxide teo3  
945 HCO3- bicarbonate anion hco3-  
946 HSO3 Hydroxysulfonyl radical hso3  
947 NH2NO2 nitramide nh2no2  
948 C2H2CO cyclopropenone c2h2co  
949 C3H2O Propadienal c3h2o  
950 HCCCHO 2-propynal hcccho  
951 C2H2O2+ Ethanedial cation c2h2o2+  
952 H2CO3 Carbonic acid h2co3  
953 H2CS3 thiocarbonic acid h2cs3  
954 H2NO3+ Nitric Acid, Protonated h2no3+  
955 H2SO3 Sulfurous acid h2so3  
956 C2H3NO Nitrosoethylene c2h3no  
957 CH3NCO methylisocyante ch3nco  
958 HOCH2CN cyanomethanol hoch2cn  
959 CH3COO- acetate anion ch3coo-  
960 NH2COOH Carbamic acid nh2cooh  
961 H3BO3 Boric acid h3bo3  
962 H3AlO3 Aluminum hydroxide h3alo3  
963 H3CO3+ carbonic acid, protonated h3co3+  
964 NH2CONH2+ Urea cation urea+  
965 C2H4O2 1,3-dioxetane c2h4o2  
966 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
967 NH3COOH+ protonated Carbamic acid nh3cooh+  
968 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
969 CH3COCH2 Acetonyl radical ch3coch2  
970 CH2C(OH)NH2 1-amino vinyl alchohol ava  
971 CH3C(OH)=NH Ethaninidic acid eia  
972 HCONHCH3 N-methylformamide nmfa  
973 CH3CSNH2 Ethanethioamide ch3csnh2  
974 CH5N2O+ urea, N-protonated ch4n2o+  
975 H2NCOHNH2+ urea, protonated ureah+  
976 C2H5OO ethylperoxy radical c2h5oo  
977 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
978 C3H5OH Cyclopropanol cproh  
979 C3H6O 2-Propen-1-ol c107186  
980 C3H6O Acetone enol enol  
981 C3H6O Oxetane oxetane  
982 CH3COCH3- acetone anion ch3coch3-  
983 CH3CSCH3 Thioacetone ch3csch3  
984 CH3OOCH3 dimethylperoxide dmp  
985 CH3COHCH3+ acetone, protonated acetoneh+  
986 HOCH2CH2NH2 monoethanolamine mea  
987 C3H7OH 1-Propanol proh  
988 Li2F2 Lithium fluoride dimer li2f2  
989 Na2F2 Sodium Fluoride Dimer na2f2  
990 C2Cl2+ dichloroacetylene cation c2cl2+  
991 FNO2 Nitryl fluoride fno2  
992 FONO Nitrosyl hypofluorite fono  
993 ClONO chlorine nitrite clono  
994 BrONO Bromine nitrite brono  
995 CF2O+ Carbonic difluoride cation f2co+  
996 COFCl Carbonic chloride fluoride cofcl  
997 Cl2CS Thiophosgene cl2cs  
998 COBr2 Carbonic dibromide cobr2  
999 BF3- Borane, trifluoro- anion bf3-  
1000 BF3+ boron trifluoride cation bf3+  
1001 BClF2 Chlorodifluoroborane bclf2  
1002 ScF3 Scandium trifluoride ScF3  
1003 BCl3+ Boron Trichloride cation bcl3+  
1004 GaF3 Gallium trifluoride gaf3  
1005 GaCl3 Gallium trichloride gacl3  
1006 BBr3 Boron tribromide bbr3  
1007 AlBr3 Aluminum Bromide albr3  
1008 ClO3 Chlorine trioxide clo3  
1009 ClO3- chlorate anion clo3-  
1010 BrO3- Bromate anion bro3-  
1011 CF3- Trifluoromethyl anion cf3-  
1012 CF3+ Trifluoromethyl cation cf3+  
1013 CF2Cl difluorochloromethyl radical cf2cl  
1014 SiF3 Silicon trifluoride radical sif3  
1015 SiF3+ Silicon trifluoride cation sif3+  
1016 CFCl2 dichlorofluoromethyl radical cfcl2  
1017 CCl3- Trichloromethyl anion ccl3-  
1018 CCl3+ Trichloromethyl cation ccl3+  
1019 SiCl3 trichlorosilyl radical sicl3  
1020 SiCl3+ trichlorosilyl cation sicl3+  
1021 CBr3 tribromomethyl radical cbr3  
1022 FOOF Perfluoroperoxide foof  
1023 ClO2F Chloryl fluoride clo2f  
1024 F2SO Thionyl Fluoride f2so  
1025 ClOOCl Dichlorine dioxide cloocl  
1026 FSSF Difluorodisulfane fssf  
1027 S2F2 Thio-thionyl fluoride s2f2  
1028 SSCl2 Thiothionyl chloride sscl2  
1029 SeOCl2 selenium oxychloride seocl2  
1030 NF3- Nitrogen trifluoride anion nf3-  
1031 NF3+ Nitrogen trifluoride cation nf3+  
1032 NCl3 nitrogen trichloride ncl3  
1033 AsF3 Arsenic trifluoride asf3  
1034 SbF3 Antimony Trifluoride sbf3  
1035 AsCl3 Arsenous trichloride ascl3  
1036 SbCl3 Antimony Trichloride sbcl3  
1037 NBr3 Nitrogen Tribromide nbr3  
1038 PBr3 Phosphorus tribromide pbr3  
1039 AsBr3 Arsenic tribromide asbr3  
1040 NI3 Nitrogen triiodide ni3  
1041 PI3 Phosphorus triiodide pi3  
1042 SF3 Sulfur trifluoride sf3  
1043 ClF3 Chlorine trifluoride clf3  
1044 IF3 iodone trifluoride if3  
1045 HClO3 Chloric Acid hclo3  
1046 SiHF3 trifluorosilane sihf3  
1047 CDCl3 trichloromethane-d cdcl3  
1048 CHBrF2 Methane, bromodifluoro- chbrf2  
1049 CHFClBr fluorochlorobromomethane chfclbr  
1050 CHBrCl2 Methane, bromodichloro- chbrcl2  
1051 CHF2I difluoroiodomethane chf2i  
1052 CHBr2F dibromofluoromethane chbr2f  
1053 CHFClI fluorochloroiodomethane chfcli  
1054 CHCl2I dichloroiodomethane chcl2i  
1055 CHClBr2 Methane, dibromochloro- chclbr2  
1056 CHI3 Iodoform chi3  
1057 NF3H+ protonated nitrogen trifluoride nf3h+  
1058 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1059 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1060 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1061 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1062 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1063 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1064 C2H2Br2 1,1-dibromoethene c2h2br2  
1065 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1066 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1067 CH2FCHO Fluoroacetaldehyde ch2fcho  
1068 CH2ClCHO chloroacetaldehyde ch2clcho  
1069 C2H4F2 1,2-difluoroethane c2h4f2  
1070 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1071 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1072 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1073 CH2CFCH3 2-fluoropropene 2fpro  
1074 CH2CHCH2F Allyl Fluoride allylf  
1075 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1076 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1077 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1078 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1079 CH2FCH2CH3 1-Fluoropropane prf1  
1080 CH3CHFCH3 2-Fluoropropane prf2  
1081 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1082 CH3CHClCH3 Propane, 2-chloro- prcl2  
1083 CH3CH2CH2Br n-propyl bromide prbr  
1084 CH3CHBrCH3 i-propyl bromide iprbr  
1085 C3H9O+ trimethyl oxonium cation c3h9o+  
1086 B5H9 pentaborane9 b5h9  
1087 C5H4 pentatetraene ptrene  
1088 C5H5 cyclopentadienyl radical c5h5  
1089 C5H5- cylopentadienyl anion c5h5-  
1090 C5H6 Propellane propellane  
1091 C5H7 1,3-pentadienyl radical pdyl  
1092 C5H7 cyclopentenyl radical cpyl  
1093 C5H8 1,3-Pentadiene, (Z)- c1574410  
1094 C5H8 1-pentyne a1pentyne  
1095 C5H8 Bicyclo[1.1.1]pentane bcp  
1096 C5H8 Ethenylcyclopropane c693867  
1097 CH3CCCH2CH3 2-Pentyne 2pentyne  
1098 CH2CHCH2CH2CH3 1-pentene pentene  
1099 C5H12 Pentane pentane  
1100 C5H12 Propane, 2,2-dimethyl- neopentane  
1101 Si(CH3)4 tetramethylsilane tms  
1102 N2O3 Dinitrogen trioxide n2o3  
1103 CH2N4 1H-Tetrazole 1htz  
1104 C3H3N2 imidazolyl radical im  
1105 C3H3N2- imidizolyl anion im-  
1106 C2H3N3 1H-1,2,4-Triazole c288880  
1107 C4H4N pyrrolide radical c4h4n  
1108 C4H4N- pyrrolide anion c4h4n-  
1109 C3H4N2 2H-Imidazole imid2h  
1110 C3H4N2 4H-Imidazole imid4h  
1111 C4H5N 2H-pyrrole pyrrole2  
1112 C4H5N 3H-pyrrole pyrrole3  
1113 CH2CHCH2CN Allylcyanide ch2chch2cn  
1114 C4H6N+ pyrrole, alpha-protonated appyr  
1115 C4H6N+ pyrrole, beta-protonated bppyr  
1116 C4H6N+ pyrrole, protonated ppyr  
1117 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1118 CH3CH2CH2CN Butanenitrile c109740  
1119 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1120 NH(C2H5)2 diethylamine dea  
1121 NC4H12+ tetramethyl ammonium cation nc4h12+  
1122 C3O2+ Carbon suboxide cation c3o2+  
1123 B2O3 diboron trioxide b2o3  
1124 MgCO3 Magnesium Carbonate mgco3  
1125 BeCO3 Beryllium Carbonate beco3  
1126 CaCO3 Calcium Carbonate caco3  
1127 ONONO Nitrosyl nitrite onono  
1128 PO4--- phosphate po4---  
1129 SO4-- sulfate so4--  
1130 HOONO2 peroxy nitric acid hoono2  
1131 HSO4- bisulfate anion hso4-  
1132 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1133 C3H2O2 Propiolic acid c3h2o2  
1134 CHOCOOH oxo acetic acid oaa  
1135 CHOOCHO diformyl ether choocho  
1136 H2SeO4 Selenic acid h2seo4  
1137 C3H3NO Oxazole oxazole  
1138 C3H3NS Thiazole thiazole  
1139 CH3C(O)OO acetyl peroxy radical ch3coo2  
1140 H3PO4 Phosphoric Acid h3po4  
1141 C4H4O+ Furan cation furan+  
1142 CH3COCCH 3-butyn-2-one c1423605  
1143 C4H4Se selenophene c4h4se  
1144 C3H4O2 Methyl glyoxal megly  
1145 C3H4O2 propanedial propanedial  
1146 C3H4O2 propenalol propenalol  
1147 HOCHCCHOH allenediol aldiol  
1148 C2H4O3 1,2,3-trioxolane c2h4o3  
1149 C2H4O3 trioxolane124 triox  
1150 HOCH2COOH Hydroxyacetic acid hac  
1151 H2NCH2COOH Glycine glycine  
1152 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1153 C4H6O cis-2-butenal butenal2c  
1154 C4H6O Furan, 2,5-dihydro- furan25h  
1155 CH3CH2COOH Propanoic Acid propanoic  
1156 HCOOC2H5 Ethyl formate faee  
1157 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1158 C3H7NO dimethylformamide dmf  
1159 C4H8O Furan, tetrahydro- thf  
1160 CH3COCH2CH3 2-Butanone buta2one  
1161 C3H8O2 1,3-Propanediol c504632  
1162 C4H10O 1-Butanol butanol1  
1163 C4H10O 1-Propanol, 2-methyl- c78831  
1164 C4H10O Ethoxy ethane etoet  
1165 C4H10O Methyl propyl ether meopr  
1166 C4H10O+ 1-Butanol cation butanol1+  
1167 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1168 C2H5SC2H5 Diethyl sulfide etset  
1169 C4H9SH 1-Butanethiol bush  
1170 ClONO2 Chlorine nitrate clono2  
1171 BrONO2 Bromine nitrate brono2  
1172 TiCl4 Titanium tetrachloride ticl4  
1173 ClO4- perchlorate anion clo4-  
1174 BF4- tetrafluoroboron anion bf4-  
1175 SO2F2 Sulfuryl fluoride so2f2  
1176 TiF4 Titanium tetrafluoride tif4  
1177 CF3Br Bromotrifluoromethane cf3br  
1178 GeF4 Germanium tetrafluoride gef4  
1179 CCl4+ Carbon tetrachloride cation ccl4+  
1180 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1181 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1182 CF3I trifluoroiodomethane cf3i  
1183 CBrCl3 Methane, bromotrichloro- cbrcl3  
1184 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1185 GeCl4 Germanium Tetrachloride gecl4  
1186 CBr2ClF dibromochlorofluoromethane cbr2clf  
1187 CBr2Cl2 dibromodichloromethane cbr2cl2  
1188 CCl3I trichloroiodomethane ccl3i  
1189 CFBr3 fluorotribromomethane cfbr3  
1190 CFClBrI fluorochlorobromoiodomethane cfclbri  
1191 CBr3Cl tribromochloromethane cbr3cl  
1192 CF2I2 difluorodiiodomethane cf2i2  
1193 CBr4 Carbon tetrabromide cbr4  
1194 CCl2I2 dichlorodiiodomethane ccl2i2  
1195 SiBr4 Silicon tetrabromide sibr4  
1196 CBr3I tribromoiododmethane cbr3i  
1197 GeBr4 Germanium tetrabromide gebr4  
1198 CI4 tetraiodomethane ci4  
1199 SiI4 silicon tetraiodide sii4  
1200 ClOF3 Chlorine trifluoride oxide clof3  
1201 SF4 Sulfur tetrafluoride sf4  
1202 SeF4 Selenium tetrafluoride sef4  
1203 SCl4 Sulfur tetrachloride scl4  
1204 C2HF3 Trifluoroethylene c2hf3  
1205 C2HF3+ Trifluoroethylene cation c2hf3+  
1206 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1207 HClO4 perchloric acid hclo4  
1208 CF3OH trifluoromethanol cf3oh  
1209 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1210 CHClCCHCl 1,3-dichloroallene chclcchcl  
1211 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1212 CHCl2CHO dichloroacetaldehyde chcl2cho  
1213 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1214 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1215 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1216 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1217 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1218 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1219 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1220 NH3BCl3 Amminetrichloroboron nh3bcl3  
1221 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1222 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1223 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1224 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1225 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1226 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1227 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1228 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1229 C4H9F 1-fluorobutane butaf1  
1230 CH3CHFCH2CH3 2-fluorobutane butaf2  
1231 XeF4 Xenon tetrafluoride xef4  
1232 C2H2N2O Furazan furazan  
1233 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1234 NH3BF3 Amminetrifluoroboron nh3bf3  
1235 C6H2 hexatriyne c6h2  
1236 C6H4 Benzyne benzyne  
1237 C6H5- phenyl anion phenyl-  
1238 C6H6 Prismane prismane  
1239 C6H6 1,2,4,5-Hexatetraene ht1245  
1240 C6H6 3,4-Dimethylenecyclobutene cb34m  
1241 C6H6 Benzvalene bv  
1242 C6H6 Dewar Benzene dewar  
1243 C6H6 Hexa-1,5-diene-3-yne hdy153  
1244 C6H6 Trimethylenecycopropane tmcp  
1245 C6H6+ Benzene cation c6h6+  
1246 C6H7+ benzene, protonated c6h7+  
1247 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1248 C6H10 1,5-Hexadiene c592427  
1249 C6H10 cyclohexene cyclohexene  
1250 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1251 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1252 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1253 C6H12 (E)-2-Hexene e2hexene  
1254 C6H12 (E)-hex-3-ene e3hexene  
1255 C6H12 (Z)-hex-2-ene z2hexene  
1256 C6H12 (Z)-hex-3-ene z3hexene  
1257 C6H12 2,3-dimethylbut-1-ene c563780  
1258 C6H12 2,3-dimethyl-but-2-ene tmeet  
1259 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1260 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1261 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1262 C4H2N2 Fumaronitrile c4h2n2  
1263 C2H2N4 sym-tetrazine ttz  
1264 C5H5N E-2,4-pentadienenitrile bdcn  
1265 B3N3H6 borazine borazine  
1266 C5H6N+ Pyridinium c5h6n  
1267 C5H7N Cyclobutanecarbonitrile c4426113  
1268 C6H10 Bicyclo[3.1.0]hexane c285585  
1269 Li2CO3 Lithium Carbonate li2co3  
1270 Na2CO3 Sodium Carbonate na2co3  
1271 C2O4-- oxalate anion c2o4  
1272 MgSO4 Magnesium Sulfate mgso4  
1273 C3H2O3 vinylene carbonate vica  
1274 C2H2O4 Oxalic Acid oxalic  
1275 C4H4O2 2(5H)-Furanone furanone  
1276 C2H4N2S2 Ethanedithioamide c79403  
1277 C2H4CO3 Ethylene carbonate etco3  
1278 C2H4O4 Formic acid dimer fadimer  
1279 C2H5NO3 Nitric acid, ethyl ester c625581  
1280 C5H6O 2H-Pyran pyran2  
1281 C5H6O 2-methylfuran furan2m  
1282 C5H6O 3-Methylfuran furan3m  
1283 C5H6O Pentadienal pdal  
1284 C4H6O2 γ–Butyrolactone c96480  
1285 C4H6O2 2,3-Butanedione c431038  
1286 C4H6O2 Crotonic Acid crot  
1287 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1288 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1289 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1290 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1291 C4H6OS Vinyl sulfoxide c1115157  
1292 C3H6S3 1,3,5-Trithiane c3h6s3  
1293 C4H7NO Ethoxyacetonitrile etoaccn  
1294 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1295 C3H7ONO Propyl nitrite prono  
1296 CH3CH(NH2)COOH Alanine alanine  
1297 CH3NHCH2COOH Sarcosine sarcosine  
1298 NH2CH2CH2COOH β–alanine betaalanine  
1299 C5H8O Cyclopentanone c120923  
1300 C5H8O Methyl cyclopropyl ketone c765435  
1301 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1302 C4H8O2 1,3-Dioxane dioxan13  
1303 C4H8O2 Ethyl acetate c141786  
1304 C5H10O 2-methylbutyraldehyde 2meba  
1305 C5H10O Pentanal pal  
1306 C5H12O 3-Pentanol pentan3ol  
1307 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1308 C4F2 difluorobutadiyne c4f2  
1309 ClCOClCO Oxalyl chloride oxcl  
1310 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1311 C2F4+ Tetrafluoroethylene cation c2f4+  
1312 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1313 CF2CCl2 difluorodichloroethylene cf2ccl2  
1314 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1315 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1316 C2FCl3 fluorotrichloroethene c2fcl3  
1317 C2Br4 tetrabromoethene c2br4  
1318 CF3OF Trifluoromethylhypofluorite cf3of  
1319 SiF5- silicon pentafluoride anion sif5-  
1320 SOF4 Sulfur tetrafluoride oxide sof4  
1321 AsF5 Arsenic pentafluoride asf5  
1322 SF5 Sulfur pentafluoride sf5  
1323 SF5+ pentafluoro sulfur cation sf5+  
1324 SbCl5 Antimony pentachloride sbcl5  
1325 BrF5 bromine pentafluoride brf5  
1326 ClF5 chlorinepentafluoride clf5  
1327 IF5 pentafluoroiodine if5  
1328 CF3CHO trifluoroacetaldehyde cf3cho  
1329 CCl3CHO trichloroacetaldehyde ccl3cho  
1330 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1331 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1332 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1333 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1334 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1335 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1336 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1337 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1338 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1339 CF3COOH trifluoroacetic acid cf3cooh  
1340 C4H3ClO Furan, 2-chloro fur2cl  
1341 C4H3ClO Furan,3-chloro fur3cl  
1342 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1343 C4H8O2 Butanoic acid bua  
1344 C6H5CH2 benzyl radical benzyl  
1345 C7H7 cycloheptatrienyl radical c7h7  
1346 C7H7+ cycloheptatrienyl cation c7h7+  
1347 C6H5CH3 toluene toluene  
1348 C7H8 cycloheptatriene cht  
1349 C7H8 Norbornadiene norbor  
1350 C7H8 Quadricyclane qucy  
1351 C7H12 Norbornane nor  
1352 C7H14 cycloheptane c7h14  
1353 C7H16 2-methylhexane 2mhex  
1354 C7H16 3-methylhexane hex3m  
1355 C7H16 heptane heptane  
1356 CH(CN)3 tricyanomethane mecn3  
1357 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1358 C6H7N 2-Methylpyridine mp  
1359 C6H5NH2 aniline aniline  
1360 C6H13N 2-Methylpiperidine pip2m  
1361 C6H13N cyclohexanamine cham  
1362 C6H15N triethylamine tea  
1363 N2O5 Dinitrogen pentoxide n2o5  
1364 C4H2O3 Maleic Anhydride malan  
1365 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1366 C5H4O2 furfural furfural  
1367 C6H5O phenoxy radical phenoxy  
1368 C5H5NO 2(1H)-Pyridinone c72762006  
1369 C5H5NO 2(3H)-Pyridinone c9000048  
1370 C5H5NO 2(5H)-Pyridinone c9000037  
1371 C5H5NO 2-Pyridinol c109104  
1372 C5H5NO 3(2H)-Pyridinone c9000004  
1373 C5H5NO 3(4H)-Pyridinone c9000026  
1374 C5H5NO 3(6H)-Pyridinone c9000015  
1375 C5H5NO 3-Pyridinol c109002  
1376 C5H5NO 4(1H)-Pryidinone c9000060  
1377 C5H5NO 4(3H)-Pryidinone c9000059  
1378 C5H5NO 4-Pyridinol c626642  
1379 C6H5OH phenol phenol  
1380 C6H6O 2,4-Cyclohexadienone c24599573  
1381 C6H6O 2,5-Cyclohexadienone c5664335  
1382 C6H5SH Benzenethiol phsh  
1383 HO2CCHNH2CH2OH Serine serine  
1384 C5H8O2 Acetylacetone acac  
1385 C4H8O2S Sulfolane sulfolane  
1386 C7H10 Norbornene norbornene  
1387 CH(C2H3)3 trivinyl methane tvm  
1388 C6H10O cyclohexanone chexo  
1389 C6H12O hexanal c6h12o  
1390 C6H12O Oxepane oxepane  
1391 C3H7OC3H7 di-n-propyl ether propr  
1392 F2CCCF2 tetrafluoroallene pfa  
1393 CF3COO- trifluoro acetate anion cf3coo-  
1394 CF3COF trifluoroacetyl fluoride cf3cof  
1395 CF3COCl trifluoroacetyl chloride cf3cocl  
1396 PF6 Hexafluorophosphate neutral pf6  
1397 PF6- Hexafluorophosphate ion pf6-  
1398 SeF6 Selenium hexafluoride sef6  
1399 SF5Cl sulfur chloropentafluoride sf5cl  
1400 CF3CHF2 pentafluoroethane cf3chf2  
1401 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1402 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1403 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1404 CCl3CHCl2 pentachloroethane ccl3chcl2  
1405 C6H5F Fluorobenzene bzf  
1406 C6H5Cl chlorobenzene bzcl  
1407 C6H5Br bromobenzene bzbr  
1408 C8H6 Calicene calicene  
1409 C6H5CCH phenylacetylene phac  
1410 C8H6 benzocyclobutadiene bcbd  
1411 C8H6 Pentalene pentalene  
1412 C6H5CHCH2 Styrene styrene  
1413 C8H8 cubane cubane  
1414 C8H8 cyclooctatetraene cot  
1415 C6H5CH2CH3 Ethylbenzene etbz  
1416 CH3C6H4CH3 meta-xylene mxylene  
1417 CH3C6H4CH3 paraxylene pxylene  
1418 C8H14 Bicyclo[2.2.2]octane bico222  
1419 C8H16 cyclooctane cyclooct  
1420 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1421 C8H18 Octane c8h18  
1422 C6H5CN phenyl cyanide phcn  
1423 C6H12N2 Triethylenediamine ted  
1424 C4O4-- squarate dianion c4o4--  
1425 S4N4 Tetrasulfur tetranitride s4n4  
1426 S8 Octasulfur s8  
1427 C6H4O2 parabenzoquinone pbq  
1428 C4H4N2O2 Uracil uracil  
1429 C6H5CHO benzaldehyde benzal  
1430 C6H5OCH3 Anisole anisole  
1431 C5H9NO2 Proline proline  
1432 C6H12O2 Methyl pivalate c598981  
1433 C6H12O2 Hexanoic acid hexa  
1434 C4F4 tetrafluorcyclobutadiene c4f4  
1435 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1436 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1437 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1438 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1439 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1440 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1441 C2F6 hexafluoroethane c2f6  
1442 C2Cl6 hexachloroethane c2cl6  
1443 IF7 Iodine heptafluoride if7  
1444 C6H4F2 metadifluorobenzene mdfb  
1445 C6H4F2 orthodifluorobenzene odfb  
1446 C6H4F2 1,4-difluorobenzene pdfb  
1447 C6H4Cl2 1,2-dichlorobenzene dcb12  
1448 C6H4Cl2 1,3-dichlorobenzene dcb13  
1449 C6H4Cl2 1,4-dichlorobenzene dcb14  
1450 C6H5NO nitrosobenzene bzno  
1451 C9H8 Indene indene  
1452 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1453 C9H12 n-propyl benzene prbz  
1454 C9H20 Nonane nonane  
1455 C(CN)4 tetracyanomethane c5n4  
1456 C5H4N4 purine purine  
1457 C8H7N Indole indole  
1458 C3H3N3O3 cyanuric acid cyanuric  
1459 C6H5NO2 Nitrobenzene c6h5no2  
1460 C6H5COOH benzoic acid benzo  
1461 CH3COC6H5 acetophenone acph  
1462 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1463 C3F6 hexafluoropropene c3f6  
1464 C6H3F3 Benzene trifluoride 123 bzf3a  
1465 C8H18O 1-Octanol octanol  
1466 C10H8 Azulene azu  
1467 C10H8 naphthalene naph  
1468 C10H10 bullvalene bullv  
1469 C10H16 adamantane adamantane  
1470 C6N4 Tetracyanoethylene tcne  
1471 C6N4- tetracyanoethylene anion tcne-  
1472 C10H22 Decane decane  
1473 C4F6 perfluorobutadiene c4f6  
1474 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1475 C3F8 perfluoropropane c3f8  
1476 Fe(CO)5 Iron pentacarbonyl ipc  
1477 Fe(C5H5)2 ferrocene fecp2  
1478 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1479 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1480 C12H8 Acenaphthylene acenaph  
1481 C12H8 biphenylene biph  
1482 C12H10 biphenyl biphenyl  
1483 C12H10 Heptalene heptalene  
1484 C6H12O6 Inositol inositol  
1485 C6F6 hexafluorobenzene c6f6  
1486 S2F10 disulphur decafluoride s2f10  
1487 C13H10 Fluorene fluorene  
1488 C14H10 Anthracene anth  
1489 C14H10 Phenanthrene phenanthrene  
1490 C14H14 Bibenzyl bibenzyl  
1491 C12H10N2 azobenzene azobenzene  
1492 C6H5COC6H5 benzophenone benzophenone  
1493 C16H10 Pyrene pyrene  
1494 C18H12 Tetracene tetracene  
1495 C19H16 Triphenylmethane tpm  
1496 C24H12 Coronene coronene  
1497 C60 Buckminsterfullerene c60