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

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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 He Helium atom 1SKh
8 He- Helium atom anion 2SKh
9 He+ Helium atom cation 2SKh
10 Li Lithium atom 2SKh
11 Li- Lithium atom anion 1SKh
12 Li+ Lithium atom cation 1SKh
13 Na- Sodium atom anion 1SKh
14 Na+ Sodium atom cation 1SKh
15 Be Beryllium atom 1SKh
16 Be- Beryllium atom anion 2PKh
17 Be+ Beryllium atom cation 2SKh
18 Mg- Magnesium atom anion 2PKh
19 Mg+ Magnesium atom cation 2SKh
20 Ca Calcium atom 1SKh
21 B Boron atom 2PKh
22 B- Boron atom anion 3PKh
23 B+ Boron atom cation 1SKh
24 Al Aluminum atom 2PKh
25 Al- Aluminum atom anion 3PKh
26 Al+ Aluminum atom cation 1SKh
27 BH Boron monohydride 1ΣC∞v
28 AlH aluminum monohydride 1ΣC∞v
29 BH2 boron dihydride 2A1C2v
30 AlH2 aluminum dihydride 2A1C2v
31 BH3 boron trihydride 1A1'D3h
32 AlH3 aluminum trihydride 1A1'D3h
33 C Carbon atom 3P0Kh
34 C- Carbon atom anion 4SKh
35 C+ Carbon atom cation 2PKh
36 Si Silicon atom 3PKh
37 Si- Silicon atom anion 4SKh
38 Si+ Silicon atom cation 2PKh
39 CH Methylidyne 2Π1/2C∞v
40 SiH Silylidyne 2ΠC∞v
41 CH2 Methylene 3B1C2v
42 SiH2 silicon dihydride 1A1C2v
43 CH3 Methyl radical 2A1D3h
44 SiH3 Silyl radical 2A1C3v
45 CH4 Methane 1A1Td
46 SiH4 Silane 1A1Td
47 N- Nitrogen atom anion 3SKh
48 N+ Nitrogen atom cation 3PKh
49 P Phosphorus atom 4SKh
50 P- Phosphorus atom anion 3PKh
51 P+ Phosphorus atom cation 3PKh
52 As Arsenic atomic 4SKh
53 NH Imidogen 3Σ-C∞v
54 PH phosphorus monohydride 3Σ-C∞v
55 ND2 Amidogen-d2 2B1C2v
56 NH2 Amino radical 2B1C2v
57 PH2 Phosphino radical 2B1C2v
58 ND3 Ammonia-d3 1A1C3v
59 NH3 Ammonia 1A1C3v
60 PH3 Phosphine 1A1C3v
61 O Oxygen atom 3SKh
62 O- Oxygen atom anion 2PKh
63 O+ Oxygen atom cation 4SKh
64 S Sulfur atom 3PKh
65 S- Sulfur atom anion 2PKh
66 S+ Sulfur atom cation 4SKh
67 Se Selenium atom 3PKh
68 Se- Selenium atom anion 2PKh
69 Se+ Selenium atom cation 4SKh
70 DO Hydroxyl-d 2ΠC∞v
71 OH Hydroxyl radical 2ΠC∞v
72 DS Mercapto-d 2ΠC∞v
73 HS Mercapto radical 2ΠC∞v
74 D2O Deuterium oxide 1A1C2v
75 H2O Water 1A1C2v
76 HDO Water-d1 1A1C2v
77 D2S Hydrogen sulfide-d2 1A1C2v
78 H2S Hydrogen sulfide 1A1C2v
79 F Fluorine atom 2PKh
80 F- Fluorine atom anion 1SKh
81 F+ Fluorine atom cation 3SKh
82 Cl Chlorine atom 2PKh
83 Cl- Chlorine atom anion 1SKh
84 Cl+ Chlorine atom cation 3PKh
85 Br Bromine atom 2PKh
86 Br- Bromine atom anion 1SKh
87 Br+ Bromine atom cation 3PKh
88 DF Hydrofluoric acid-d 1ΣC∞v
89 HF Hydrogen fluoride 1ΣC∞v
90 DCl Hydrochloric acid-d 1ΣC∞v
91 HCl Hydrogen chloride 1ΣC∞v
92 Ne Neon atom 1SKh
93 Ne- Neon atom anion 2SKh
94 Ne+ Neon atom cation 2PKh
95 Ar Argon atom 1SKh
96 Ar- Argon atom anion 2SKh
97 Ar+ Argon atom cation 2PKh
98 Al2 Aluminum diatomic 3ΣgD∞h
99 B2H6 Diborane 1AgD2h
100 C2 Carbon diatomic 1Σg+D∞h
101 Si2 Silicon diatomic 3ΣgD∞h
102 C2H Ethynyl radical 2ΣC∞v
103 C2H2 Acetylene 1ΣgD∞h
104 C2H3 vinyl 2A'Cs
105 C2H4 Ethylene 1AgD2h
106 C2H5 Ethyl radical 2A'Cs
107 C2H6 Ethane 1A1gD3d
108 CH3SiH3 methyl silane 1A1C3
109 Si2H6 disilane 1EuD3d
110 CN Cyano radical 2ΣC∞v
111 CP Carbon monophosphide 2ΣC∞v
112 SiN Silicon nitride 2ΣC∞v
113 N2 Nitrogen diatomic 1ΣgD∞h
114 PN Phosphorus mononitride 1ΣC∞v
115 P2 Phosphorus diatomic 1ΣgD∞h
116 HCN Hydrogen cyanide 1ΣC∞v
117 HCP Phosphaethyne 1ΣC∞v
118 HPO Hydrogen phosphorus oxide 1A'Cs
119 CH2NH Methanimine 1A'Cs
120 N2H4 Hydrazine 1AC2
121 P2H4 Diphosphine 1AC2
122 CH3NH2 methyl amine 1A'Cs
123 CH3PH2 Methyl phosphine 1A'Cs
124 BO boron monoxide 2ΣC∞v
125 AlO Aluminum monoxide 2ΣC∞v
126 BS boron sulfide 2ΣC∞v
127 AlS Aluminum sulfide 2ΣC∞v
128 CO Carbon monoxide 1ΣC∞v
129 CS carbon monosulfide 1ΣC∞v
130 SiO Silicon monoxide 1ΣC∞v
131 SiS silicon monosulfide 1ΣC∞v
132 NO Nitric oxide 2ΠC∞v
133 NS Mononitrogen monosulfide 2ΠC∞v
134 PO Phosphorus monoxide 2ΠC∞v
135 PS phosphorus sulfide 2ΣC∞v
136 O2 Oxygen diatomic 3ΣgD∞h
137 SO Sulfur monoxide 3ΣC∞v
138 S2 Sulfur diatomic 3ΣgD∞h
139 HBO Boron hydride oxide 1ΣC∞v
140 HBS hydrogen boron sulfide 1ΣC∞v
141 HCO Formyl radical 2A'Cs
142 HNO Nitrosyl hydride 1A'Cs
143 HO2 Hydroperoxy radical 2A"Cs
144 H2CO Formaldehyde 1A1C2v
145 H2CS Thioformaldehyde 1A1C2v
146 H2O2 Hydrogen peroxide 1AC2
147 H2S2 Disulfane 1AC2
148 CH2OH Hydroxymethyl radical 2AC1
149 CH3O Methoxy radical 2A'C1
150 CH3S thiomethoxy 2A'C3v
151 NH2OH hydroxylamine 1A'Cs
152 CH3OH Methyl alcohol 1A'Cs
153 CH3SH Methanethiol 1A'Cs
154 AlF Aluminum monofluoride 1Σ+C∞v
155 BCl boron monochloride 1ΣC∞v
156 CF Fluoromethylidyne 2ΠC∞v
157 CCl carbon monochloride 2ΠC∞v
158 SiF silicon monofluoride 2ΠC∞v
159 SiCl Clorosilylidyne 2ΠC∞v
160 NF nitrogen fluoride 3ΣC∞v
161 PF phosphorus monofluoride 3ΣC∞v
162 PCl phosphorus chloride 3ΣC∞v
163 FO Oxygen monofluoride 2ΠC∞v
164 ClO Monochlorine monoxide 2ΠC∞v
165 SF Monosulfur monofluoride 2ΠC∞v
166 SCl sulfur monochloride 2ΠC∞v
167 F2 Fluorine diatomic 1ΣgD∞h
168 ClF Chlorine monofluoride 1Σ+C∞v
169 Cl2 Chlorine diatomic 1ΣgD∞h
170 HCF Fluoromethylene 1A'Cs
171 HOF Hypofluorous acid 1A'Cs
172 DOCl Hypochlorous acid-d 1A'Cs
173 HOCl hypochlorous acid 1A'Cs
174 H2F2 Hydrogen fluoride dimer 1AgCs
175 CH3F Methyl fluoride 1A1C3v
176 CH3Cl Methyl chloride 1A1C3v
177 SiH3F monofluorosilane 1A1C3v
178 SiH3Cl chlorosilane 1A1C1
179 C3 carbon trimer 1ΣgD∞h
180 C3H3 Propargyl radical 2B1Cs
181 CH2CCH2 allene 1A1D2d
182 CH3CCH propyne 1A'C3v
183 C3H5 Allyl radical 2A2C2v
184 C3H6 Cyclopropane 1A1'D3h
185 CH2CHCH3 Propene 1A'Cs
186 C3H7 n-Propyl radical 2A"C1
187 CH3CHCH3 Isopropyl radical 2AC2
188 C3H8 Propane 1A1C2v
189 CH3CN Acetonitrile 1A1C3v
190 C2H5N Aziridine 1A'C1
191 CH3CH2NH2 Ethylamine 1A'Cs
192 CH3NHCH3 Dimethylamine 1A'Cs
193 BO2 Boron dioxide 2A'D∞h
194 N2O Nitrous oxide 1ΣC∞v
195 CO2 Carbon dioxide 1ΣgD∞h
196 OCS Carbonyl sulfide 1ΣC∞v
197 SiO2 silicon dioxide 1ΣgD∞h
198 CS2 Carbon disulfide 1ΣgD∞h
199 NO2 Nitrogen dioxide 2A1C2v
200 PO2 Phosphorus dioxide 2A1C2v
201 O3 Ozone 1A1Cs
202 SO2 Sulfur dioxide 1A1C2v
203 SSO Disulfur monoxide 1A'Cs
204 HNCO Isocyanic acid 1A'Cs
205 HNO2 Nitrous acid 1A'Cs
206 CH2CO Ketene 1A1C2v
207 HCOOH Formic acid 1A'Cs
208 CH3CO Acetyl radical 2A'Cs
209 CHONH2 formamide 1A'Planar
210 C2H4O Ethylene oxide 1A1C2v
211 CH3CHO Acetaldehyde 1A'Cs
212 C2H4S Thiirane 1A1C2v
213 CH3CHS Thioacetaldehyde 1A'C1
214 CH3CH2OH Ethanol 1A'Cs
215 CH3OCH3 Dimethyl ether 1A1C2v
216 CH3CH2SH ethanethiol 1A'Cs
217 CH3SCH3 Dimethyl sulfide 1A1C2v
218 ClCN chlorocyanogen 1ΣC∞v
219 FNO Nitrosyl fluoride 1A'Cs
220 ClNO Nitrosyl chloride 1A'Cs
221 CF2 Difluoromethylene 1A1D∞h
222 CCl2 dichloromethylene 1A1C2v
223 SiCl2 Dichlorosilylene 1A1C2v
224 FOO Dioxygen monofluoride radical 2A"Cs
225 ClOO chloroperoxy radical 2A"Cs
226 OClO Chlorine dioxide 2B1D∞h
227 ClS2 Sulfur chloride 2A"Cs
228 NF2 Difluoroamino radical 2B1C2v
229 F2O Difluorine monoxide 1A1C2v
230 Cl2O Dichlorine monoxide 1A1C2v
231 BHF2 Difluoroborane 1A1C2v
232 BHCl2 Borane, dichloro- 1A1C2v
233 CH2F2 Methane, difluoro- 1A1C2v
234 CH2Cl2 Methylene chloride 1A1C2v
235 CH2CHF Ethene, fluoro- 1A'Cs
236 C2H3Cl Ethene, chloro- 1A'Cs
237 CH3CH2Cl Ethyl chloride 1A'Cs
238 C4H6 1-Methylcyclopropene 1AC1
239 C4H6 Cyclobutene 1A1C2v
240 C4H6 Methylenecyclopropane 1A1C2v
241 CH2CCHCH3 1,2-Butadiene 1A'C1
242 CH2CHCHCH2 1,3-Butadiene 1AgC2h
243 CH3CCCH3 2-Butyne 1A1'D3h
244 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
245 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
246 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
247 C(CH3)3 Tert-butyl radical 2A"C3v
248 CH2CH(CH3)2 Isobutyl radical 2A'C1
249 CH3CHCH2CH3 2-Butyl radical 1AC1
250 CH3CH(CH3)CH3 Isobutane 1A1C3v
251 CH3CH2CH2CH3 Butane 1AgAnti
252 C2N2 Cyanogen 1ΣgD∞h
253 P4 Phosphorus tetramer 1A1Td
254 C3H3N acrylonitrile 1A'Cs
255 C3H7N Cyclopropylamine 1A'C1
256 C4H8 cyclobutane 1A1D2d
257 C2H8N2 Ethylenediamine 1AgC2h
258 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
259 N(CH3)3 Trimethylamine 1A1C3v
260 NH2CH2CH2CH3 1-Propanamine 1A'Cs
261 B2O2 Diboron dioxide 1ΣgD∞h
262 SO3 Sulfur trioxide 1A1'D3h
263 HNO3 Nitric acid 1A'Cs
264 C2H2O2 Ethanedial 1AgC2h
265 CH3NO2 Methane, nitro- 1A'Cs
266 CH3ONO Methyl nitrite 1A'C1
267 C3H4O Cyclopropanone 1A1C2v
268 NH2CONH2 Urea 1AC2
269 NH2CSNH2 Thiourea 1AC2
270 CH3COOH Acetic acid 1A'Cs
271 CH3OCHO methyl formate 1A'Cs
272 CH3CHNOH Acetaldoxime 1A'CS trans
273 CH3CONH2 Acetamide 1A'C1
274 C3H6O Propylene oxide 1AC1
275 CH3CH2CHO Propanal 1A'Cs
276 CH3COCH3 Acetone 1A1C2v
277 C3H6S Thietane 1A'Cs
278 C3H6S Thiirane, methyl- 1AC1
279 C2H6O2 1,2-Ethanediol 1AgC2h
280 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
281 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
282 CH3SSCH3 Disulfide, dimethyl 1AC2
283 CH3CHOHCH3 Isopropyl alcohol 1AC1
284 CH3OC2H5 Ethane, methoxy- 1A'Cs
285 C3H7SH 1-Propanethiol 1A'Cs
286 CH3CHSHCH3 2-Propanethiol 1A'Cs
287 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
288 ClNO2 Nitryl chloride 1A1C2v
289 N2F2 (Z)-Difluorodiazene 1A1C2v
290 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
291 CF2O Carbonic difluoride 1A1C2v
292 CCl2O Phosgene 1A1C2v
293 BF3 Borane, trifluoro- 1A'D3h
294 AlF3 Aluminum trifluoride 1A1'D3h
295 AlF2Cl Aluminum chloride difluoride 1A1C2v
296 AlFCl2 Aluminum dichloride fluoride 1A1C2v
297 BCl3 Borane, trichloro- 1A1'D3h
298 AlCl3 Aluminum trichloride 1A1'D3h
299 CF3 Trifluoromethyl radical 2A1C3v
300 CCl3 Trichloromethyl radical 2A1C3
301 NF3 Nitrogen trifluoride 1A1C3v
302 PF3 Phosphorus trifluoride 1A1C3v
303 PCl3 Phosphorus trichloride 1A1C3v
304 CHF3 Methane, trifluoro- 1A1C3v
305 CHCl3 Chloroform 1A1C3v
306 SiHCl3 Trichlorosilane 1A1C3v
307 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
308 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
309 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
310 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
311 CH3COF Acetyl fluoride 1A'NULL
312 CH3COCl Acetyl Chloride 1A'Cs
313 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
314 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
315 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
316 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
317 C5H6 1,3-Cyclopentadiene 1A1C2v
318 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
319 C5H6 3-Penten-1-yne, (E)- 1A'Cs
320 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
321 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
322 C5H6 Cyclopropylacetylene 1A'C1
323 C5H8 1,2-Butadiene, 3-methyl- 1A1C2v
324 C5H8 1,2-Pentadiene 1A'C1
325 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
326 C5H8 1,3-Pentadiene, (E)- 1A'C1
327 C5H8 1,3-Pentadiene, (Z)- 1A'Cs
328 C5H8 1,4-Pentadiene 1AC2
329 C5H8 2,3-Pentadiene 1AC1
330 C5H8 Cyclobutane, methylene- 1A'Cs
331 C5H8 Cyclopentene 1A'Cs
332 C5H10 1-Butene, 2-methyl- 1AC1
333 C5H10 2-Butene, 2-methyl- 1A'Cs
334 C5H10 2-Pentene, (E)- 1A'Cs
335 C5H10 2-Pentene, (Z)- 1AC1
336 C5H10 Cyclopentane 1AC1
337 C5H10 Cyclopropane, 1,1-dimethyl- 1A1C1
338 C5H11 2-Methylbut-2-yl radical 1AC1
339 C5H12 Butane, 2-methyl- 1AC1
340 C5H12 Pentane 1A1C2v
341 C5H12 Propane, 2,2-dimethyl- 1A1Td
342 N2O3 Dinitrogen trioxide 1A'Cs
343 C3H2N2 Malononitrile 1A1Cs
344 C3H4N2 1H-Imidazole 1A'Cs
345 C3H4N2 1H-Pyrazole 1A'Cs
346 C4H5N (E)-2-Butenenitrile 1A'Cs
347 C4H5N (Z)-2-Butenenitrile 1A'Cs
348 C4H5N Cyclopropanecarbonitrile 1A'Cs
349 C4H5N Pyrrole 1A1C2v
350 C3H6N2 3-Aminopropionitrile 1A'Cs
351 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
352 C5H8 Spiropentane 1A1D2d
353 C4H9N Cyclobutylamine 1A'Cs
354 C4H9N Pyrrolidine 1A'Cs
355 C3H10N2 1,2-Diaminopropane 1AC1
356 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
357 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
358 CH3C(NH2)HCH2CH3 2-Butanamine 1AC1
359 C3O2 Carbon suboxide 1ΣGD∞h
360 H2SO4 Sulfuric acid 1AC1
361 C3H3NO Isoxazole 1A'Cs
362 CH3NO3 Methyl nitrate 1A'Cs
363 C4H4O Furan 1A1C2
364 C4H4S Thiophene 1A1C2v
365 C3H4O2 β–Propiolactone 1A'Cs
366 C3H4O2 2-Propenoic acid 1A'Cs
367 CH2CHCONH2 Acrylamide 1ACs
368 CH3OCH2CN Methoxyacetonitrile 1A'Cs
369 CH5N3S Hydrazinecarbothioamide 1AC1
370 C4H6O Cyclobutanone 1A1C2v
371 C4H6O Furan, 2,3-dihydro- 1AC1
372 CH2CHOCHCH2 Vinyl ether 1A1C2v
373 CHOCHCHCH3 2-Butenal 1A'Cs
374 C4H6S Thiophene, 2,3-dihydro- 1AC1
375 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
376 CH2CHSCHCH2 Divinyl sulfide 1AC2v
377 C2H6N2O Urea, methyl- 1AC1
378 C3H6O2 1,3-Dioxolane 1AC2
379 CH3COOCH3 methyl acetate 1A'Cs
380 C2H6O2S Dimethyl sulfone 1A1C2v
381 C3H7NO Propanamide 1A'C1
382 C2H3OC2H5 Ethene, ethoxy- 1AC1
383 C4H8O Cyclobutanol 1A'C1
384 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
385 CH3COCH2CH3 2-Butanone 1A'Cs
386 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
387 CHOCH2CH2CH3 Butanal 1A'Cs
388 C4H8S Thiophene, tetrahydro- 1AC1
389 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
390 C3H8O2 Methane, dimethoxy- 1AC2
391 C3H8O2 Propylene glycol 1AC1
392 C3H8S2 1,3-Propanedithiol 1A1C1
393 C4H10O 2-Butanol, (.+/-.)- 1AC1
394 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
395 C4H10O Ethoxy ethane 1A1C2v
396 C4H10O Propane, 2-methoxy- 1A'Cs
397 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
398 C2H5SC2H5 Diethyl sulfide 1A1C2v
399 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- 1AC1
400 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
401 CH3CH(SH)CH2CH3 2-Butanethiol 1AC1
402 FNO3 Fluorine nitrate 1A'Cs
403 ClFO3 Perchloryl fluoride 1A1Cs
404 SO2Cl2 Sulfuryl chloride 1A1C2v
405 F3NO Nitrogen trifluoride oxide 1A1C3v
406 F3PO Phosphoryl fluoride 1A1C3v
407 Cl3PO Phosphoryl chloride 1A1C3v
408 CF4 Carbon tetrafluoride 1A1Td
409 CF3Cl Methane, chlorotrifluoro- 1A1C3v
410 SiF4 Silicon tetrafluoride 1A1Td
411 CF2Cl2 difluorodichloromethane 1A1C2v
412 CFCl3 Trichloromonofluoromethane 1A1C3v
413 CCl4 Carbon tetrachloride 1A1Td
414 SiCl4 Silane, tetrachloro- 1A1Td
415 CHClCCl2 Trichloroethylene 1A'Cs
416 HSO3F Fluorosulfonic acid 1AC1
417 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
418 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
419 C3H5ClO Oxirane, (chloromethyl)- 1AC1
420 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
421 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
422 CH2CClCH2CH3 1-Butene, 2-chloro- 1A'Cs
423 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
424 CH2CHCHClCH3 1-Butene, 3-chloro- 1AC1
425 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- 1A'Cs
426 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
427 CHClCHCH2CH3 (E)-1-Chloro-1-butene 1AC1
428 CHClCHCH2CH3 (Z)-1-Chloro-1-butene 1A'Cs
429 CH2ClCH2CH2CH3 Butane, 1-chloro- 1A'Cs
430 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
431 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
432 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
433 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
434 C6H6 2,4-Hexadiyne 1A1'D3h
435 C6H6 Benzene 1A1gD6h
436 C6H8 (E)-hexa-1,3,5-triene 1AgCs
437 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
438 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
439 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
440 C6H8 1,4-Cyclohexadiene 1AgC2v
441 C6H8 3-Methylenecyclopentene 1AC1
442 C6H8 Bicyclo[2.1.1]hex-2-ene 1A1C2v
443 C6H8 Bicyclo[2.2.0]hex-1(4)-ene 1AgD2h
444 C6H8 Bicyclo[3.1.0]hex-2-ene 1AC1
445 C6H10 1,3-Hexadiene, (E)- 1A'Cs
446 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
447 C6H10 1,4-Hexadiene, (E)- 1AC1
448 C6H10 1,4-Hexadiene, (Z)- 1AC1
449 C6H10 1-Butyne, 3,3-dimethyl- 1A1C3v
450 C6H10 1-Hexyne 1A'Cs
451 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
452 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
453 C6H10 2-Hexyne 1A'C1
454 C6H10 3-Hexyne 1A1C2v
455 C6H10 Cyclopentene, 1-methyl- 1AC1
456 C6H10 Cyclopentene, 3-methyl- 1AC1
457 C6H10 Cyclopentene, 4-methyl- 1AC1
458 C6H12 (E)-3-methylpent-2-ene 1AC1
459 C6H12 (Z)-3-methylpent-2-ene 1AC1
460 C6H12 3-methylenepentane 1AC1
461 C6H12 Cyclohexane 1A1gChair
462 C6H12 Cyclopentane, methyl- 1AC1
463 C6H12 Ethylcyclobutane 1AC1
464 C6H12 hex-1-ene 1A'Cs
465 C6H14 Butane, 2,2-dimethyl- 1A'C1
466 C6H14 Butane, 2,3-dimethyl- 1AgC2h
467 C6H14 Hexane 1AgC2h
468 C6H14 Pentane, 2-methyl- 1AC1
469 C6H14 Pentane, 3-methyl- 1A'Cs
470 C4N2 2-Butynedinitrile 1ΣgD∞h
471 C3H3N3 1,3,5-Triazine 1A1'D3h
472 CH3N5 5-Aminotetrazole 1AC1
473 C4H4N2 1,3-Diazine 1A1C2v
474 C4H4N2 Pyrazine 1AgD2h
475 C4H4N2 Pyridazine 1A1C2v
476 C4H4N2 Succinonitrile 1AgC2h
477 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
478 C2H4N4 1H-Tetrazole, 5-methyl- 1A'C1
479 C2H4N4 2H-Tetrazole, 2-methyl- 1AC1
480 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
481 C5H5N Pyridine 1A1C2v
482 C6H6 Fulvene 1A1C2v
483 C4H6N2 1H-Imidazole, 2-methyl- 1A'Cs
484 C5H7N (E)-2-Pentenenitrile 1A'Cs
485 C5H7N (E)-3-Pentenenitrile 1AC1
486 C5H7N (Z)-2-Pentenenitrile 1AC1
487 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
488 C5H9N 1,2,3,6-Tetrahydropyridine 1AC1
489 C5H9N Butanenitrile, 2-methyl- 1AC1
490 C5H9N Pentanenitrile 1A'Cs
491 C5H9N Propanenitrile, 2,2-dimethyl- 1A1C1
492 C5H11N Cyclopentanamine 1A'Cs
493 C5H11N Piperidine 1A'NH equatorial
494 C4H12N2 1,2-Butanediamine 1AC1
495 C4H12N2 2-Methyl-1,2-propanediamine 1A'C1
496 N2O4 Dinitrogen tetroxide 1AgD2d
497 C2H3NO3 Oxamic acid 1A'H out
498 C4H4O2 2-Oxetanone, 4-methylene- 1AC1
499 C2H4N2O2 Oxalamide 1AgC2h
500 C3H4O2S 2H-Thiete-1,1-dioxide 1A'C1
501 C3H4S3 1,3-Dithiolane-2-thione 1AC1
502 C4H5NO 3-Methylisoxazole 1AC1
503 C4H5NO Isoxazole, 5-methyl- 1AC1
504 C4H5NS 4-Methylthiazole 1AC1
505 C5H6S Thiophene, 2-methyl- 1A'Cs
506 C5H6S Thiophene, 3-methyl- 1A'Cs
507 C4H6O2 2-Propenoic acid, methyl ester 1AC1
508 C4H6OS Dihydro-2-(3H)-thiophenone 1AC1
509 C4H6OS Dihydro-3-(2H)-thiophenone 1AC1
510 CH6N4S Carbonothioic dihydrazide 1AC2
511 C2H6N2O2 (E)-Azodioxymethane 1AgC2h
512 C2H6N2O2 Dimethylnitroamine 1AC1
513 C3H6O3 1,3,5-Trioxane 1A1C1
514 C3H6S3 Carbonotrithioic acid, dimethyl ester 1A1C1
515 C2H6O3S Sulfurous acid, dimethyl ester 1A'C1
516 C4H7NO 2-Pyrrolidinone 1AC1
517 C4H7NO Methacrylamide 1AC1
518 C4H7NO Oxazole, 4,5-dihydro-2-methyl- 1A'C1
519 CH3CH(CH3)ONO Isopropyl nitrite 1AC1
520 NH2COOC2H5 Urethane 1AC1
521 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
522 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
523 N(CH3)2CONH2 Urea, N,N-dimethyl- 1AC1
524 NH2CONHC2H5 Urea, ethyl- 1AC1
525 C4H8O2 1,3-Dioxolane, 2-methyl- 1AC1
526 C4H8O2 1,4-Dioxane 1AgC2h
527 C4H8O2 Ethene, 1,1-dimethoxy- 1A1C2v
528 C4H8OS s-Ethyl thioacetate 1AC1
529 C3H8O3 1,2,3-Propanetriol 1AC1
530 C3H8O2S (Methylsulfonyl)ethane 1AC1
531 C4H9NO Butanamide 1AC1
532 C4H9NO Propanamide, 2-methyl- 1AC1
533 C5H10O 2-Butanone, 3-methyl- 1AC1
534 C5H10O 2H-Pyran, tetrahydro- 1A'C1
535 C5H10O 2-Pentanone 1A'Cs
536 C5H10O 3-Pentanone 1A1C2v
537 C5H10O Cyclopentanol 1AC1
538 C5H10O Oxetane, 3,3-dimethyl- 1A'Cs
539 C5H10S 2H-Thiopyran, tetrahydro- 1A'Cs
540 C5H10S 3-Ethylthio-1-propene 1A'C1
541 C5H10S Cyclopentanethiol 1AC1
542 C5H10S Thiophene, tetrahydro-2-methyl- 1AC1
543 C5H10S Thiophene, tetrahydro-3-methyl- 1AC1
544 C4H10O2 1,1-Dimethoxyethane 1A'Cs
545 C4H10O2 1,3-Butanediol 1AC1
546 C4H10O2 1,4-Butanediol 1AgC2h
547 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
548 C4H10OS Diethyl sulfoxide 1AC1
549 C4H10S2 1,4-Butanedithiol 1AgC2h
550 C4H11NO Diethylhydroxylamine 1A'Cs
551 C5H12O 1-Butanol, 2-methyl- 1AC1
552 C5H12O 1-Butanol, 3-methyl- 1A'Cs
553 C5H12O 1-Pentanol 1A'Cs
554 C5H12O 2-Butanol, 3-methyl- 1AC1
555 C5H12O 2-Pentanol 1AC1
556 C5H12O Butane, 1-methoxy- 1A'Cs
557 C5H12O Propane, 1-ethoxy- 1A'Cs
558 C5H12O Propane, 2-methoxy-2-methyl- 1A'C1
559 C5H12S 1-Butanethiol, 2-methyl- 1AC1
560 C5H12S 1-Butanethiol, 3-methyl- 1A'C1
561 C5H12S 1-Pentanethiol 1A'C1
562 C5H12S 1-Propanethiol, 2,2-dimethyl- 1A'C1
563 C5H12S 2-Butanethiol, 3-methyl- 1AC1
564 C5H12S Butane, 1-(methylthio)- 1A'Cs
565 C5H12S Ethyl propyl sulfide 1A'Cs
566 C5H12S Propane, 2-(ethylthio)- 1A'C1
567 C5H12S Propane, 2-methyl-2-(methylthio)- 1A'C1
568 CF3CN Acetonitrile, trifluoro- 1A1C3v
569 B2F4 Diboron tetrafluoride 1A1D2d
570 B2Cl4 Diboron tetrachloride 1A1D2
571 C2F4 Tetrafluoroethylene 1AgD2h
572 C2Cl4 Tetrachloroethylene 1AgD2h
573 PF5 Phosphorus pentafluoride 1A1'D3h
574 PCl5 Phosphorus pentachloride 1A1'C4v
575 C3H5ClO2 Carbonochloridic acid, ethyl ester 1AC1
576 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
577 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
578 C4H8Cl2 Butane, 1,2-dichloro- 1AC1
579 C4H8Cl2 Butane, 1,3-dichloro- 1AC1
580 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- 1AgCi
581 C4H9ClO 1-Chloro-2-ethoxyethane 1A'Cs
582 C5H11Cl Pentane, 1-chloro- 1A'Cs
583 C2F6 hexafluoroethane 1A1gD3d

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 HD Deuterium hydride hd  
6 H3+ hydrogen trimer cation h3+  
7 HeH Helium hydride heh  
8 HeH+ Helium hydride cation heh+  
9 He2+ helium diatomic cation he2+  
10 Na Sodium atom na  
11 K Potassium atom k  
12 K- Potassium atom anion k-  
13 K+ Potassium atom cation k+  
14 Cu Copper atom cu  
15 Cu- Copper atom anion cu-  
16 Cu+ Copper atom cation cu+  
17 LiH Lithium Hydride lih  
18 LiH- lithium hydride anion lih-  
19 LiH+ lithium hydride cation lih+  
20 NaH sodium hydride nah  
21 NaH- sodium hydride anion nah-  
22 NaH+ sodium hydride cation nah+  
23 KH Potassium hydride kh  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Mg Magnesium atom mg  
27 Ca- Calcium atom anion ca-  
28 Ca+ Calcium atom cation ca+  
29 Zn Zinc atom zn  
30 Zn- Zinc atom anion zn-  
31 Zn+ Zinc atom cation zn+  
32 BeH beryllium monohydride beh  
33 BeH- berylium monohydride anion beh-  
34 BeH+ beryllium monohydride cation beh+  
35 MgH magnesium monohydride mgh  
36 MgH- magnesium monohydride anion mgh-  
37 MgH+ magnesium monohydride cation mgh+  
38 CaH Calcium monohydride cah  
39 CaH+ Calcium monohydride cation cah+  
40 TiH Titanium monohydride tih  
41 ZnH Zinc monohydride znh  
42 ZnH+ Zinc, protonated znh+  
43 BeH2 beryllium dihydride beh2  
44 BeH2+ Beryllium dihydride cation beh2+  
45 MgH2 magnesium dihydride mgh2  
46 CaH2 Calcium Hydride cah2  
47 ZnH2 Zinc hydride znh2  
48 Sc Scandium atom sc  
49 Sc+ Scandium cation sc+  
50 Ga Gallium atom ga  
51 Ga- Gallium atom anion ga-  
52 Ga+ Gallium atom cation ga+  
53 BH- boron monohydride anion bh-  
54 BH+ boron monohydride cation bh+  
55 AlH- aluminum monohydride anion alh-  
56 AlH+ aluminum monohydride cation alh+  
57 ScH Scandium monohydride sch  
58 ScH+ Scandium monohydride cation sch+  
59 GaH Gallium monohydride gah  
60 GaH+ Gallium monohydride cation gah+  
61 BH2- boron dihydride anion bh2-  
62 BH2+ Boron dihydride cation bh2+  
63 AlH2- aluminum dihydride anion alh2-  
64 AlH2+ aluminum dihydride cation alh2+  
65 BH3- boron trihydride anion bh3-  
66 BH3+ boron trihydride cation bh3+  
67 AlH3- aluminum trihydride anion alh3-  
68 AlH3+ aluminum trihydride cation alh3+  
69 ScH3 Scandium trihydride sch3  
70 GaH3 Gallium trihydride gah3  
71 BH4 borohydride bh4  
72 BH4- borohydride anion bh4-  
73 AlH4- Aluminum tetrahydride anion alh4-  
74 Ti Titanium atom ti  
75 Ti- Titanium atom anion ti-  
76 Ti+ Titanium atom cation ti+  
77 Ge Germanium atom ge  
78 Ge- Germanium anion ge-  
79 Ge+ Germanium cation ge+  
80 Sn Tin atom sn  
81 Sn+ Tin cation sn+  
82 CH- methylidyne anion ch-  
83 CH+ Methylidyne cation ch+  
84 SiH- silicon monohydride anion sih-  
85 SiH+ silicon monohydride cation sih+  
86 GeH germylidene geh  
87 GeH+ Germaniun monohyrdide cation geh+  
88 CH2- methylene anion ch2-  
89 CH2+ methylene cation ch2+  
90 SiH2- silicon dihydride anion sih2-  
91 SiH2+ silicon dihydride cation sih2+  
92 GeH2 germylene geh2  
93 GeH2- germylene anion geh2-  
94 CH3- methyl anion ch3-  
95 CH3+ methyl cation ch3+  
96 SiH3- Silyl anion sih3-  
97 SiH3+ Silyl cation sih3+  
98 GeH3 Germyl radical geh3  
99 GeH3+ germyl cation geh3+  
100 CD4 methane-d4 cd4  
101 CH2D2 methane-d2 ch2d2  
102 CH3D methane-d ch3d  
103 CH4- Methane anion ch4-  
104 CH4+ Methane cation ch4+  
105 CHD3 methane-d3 chd3  
106 SiH2D2 silane-d2 sih2d2  
107 SiH4+ Silane cation sih4+  
108 GeH4 Germane geh4  
109 SnH4 Stannane snh4  
110 SiH5+ Silane, protonated sih5+  
111 N Nitrogen atom n  
112 V Vanadium atom v  
113 V+ Vanadium atom cation v+  
114 As- Arsenic anion as-  
115 As+ Arsenic cation as+  
116 Sb Antimony atom sb  
117 NH- Imidogen anion nh-  
118 NH+ imidogen cation nh+  
119 PH- phosphorus monohydride anion ph-  
120 PH+ phosphorus monohydride cation ph+  
121 AsH Arsenic monohydride ash  
122 AsH+ Arsenic monohydride cation ash+  
123 SbH Antimony monohydride sbh  
124 NH2- amino anion nh2-  
125 NH2+ Amino cation nh2+  
126 PH2- Phosphino anion ph2-  
127 PH2+ Phosphino cation ph2+  
128 AsH2 Arsenic dihydride ash2  
129 AsH2+ Arsenic dihydride cation ash2+  
130 NH3- Ammonia anion nh3-  
131 NH3+ ammonia cation nh3+  
132 PH3+ Phosphine cation ph3+  
133 AsH3 Arsine ash3  
134 AsH3+ Arsine cation ash3+  
135 SbH3 Stibine sbh3  
136 AsH4+ Arsonium ash4+  
137 NH4 Ammonium radical nh4  
138 NH4+ ammonium cation nh4+  
139 PH4 Phosphoranyl radical ph4  
140 PH4+ phosphonium cation ph4+  
141 Cr Chromium atom cr  
142 Te Tellurium atom te  
143 Te+ Tellurium atom cation te+  
144 OH- hydroxide anion oh-  
145 OH+ hydoxyl cation oh+  
146 HS- mercapto anion sh-  
147 HS+ sulfur monohydride cation sh+  
148 CrH Chromium hydride crh  
149 CrH+ Chromium hydride cation crh+  
150 HSe Selenium monohydride hse  
151 HSe- selenium monohydride anion hse-  
152 HSe+ selenium monohydride cation hse+  
153 TeH Telluryl radical teh  
154 H2O- water anion h2o-  
155 H2O+ water cation h2o+  
156 H2S- Hydrogen sulfide anion h2s-  
157 H2S+ Hydrogen sulfide cation h2s+  
158 H2Se Hydrogen selenide h2se  
159 H2Se+ Hydrogen selenide cation h2se+  
160 H2Te Hydrogen Telluride h2te  
161 H3O+ hydronium cation h3o+  
162 H3S+ Sulfonium cation h3s+  
163 H3Se+ Hydrogen Selenide, protonated h3se+  
164 Mn Manganese atom mn  
165 I Iodine atom iodine  
166 I- Iodine atom anion iodine-  
167 I+ Iodine atom cation iodine+  
168 HF- hydrogen fluoride anion hf-  
169 HF+ hydrogen fluoride cation hf+  
170 HCl- hydrogen chloride anion hcl-  
171 HCl+ hydrogen chloride cation hcl+  
172 HBr hydrogen bromide hbr  
173 HBr- hydrogen bromide anion hbr-  
174 HBr+ hydrogen bromide cation hbr+  
175 HI Hydrogen iodide hi  
176 HI+ Hydrogen iodide cation hi+  
177 H2F+ dihydrogen fluoride cation h2f+  
178 H2Cl+ dihydrogen monochloride cation h2cl+  
179 H2Br+ protonated hydrogen bromide h2br+  
180 H2I+ Iodonium h2i+  
181 Fe Iron atom fe  
182 Kr Krypton atom kr  
183 Kr+ Krypton cation kr+  
184 Xe Xenon atom xe  
185 HeLi+ Helium Lithium cation heli+  
186 NeH neon hydrogen neh  
187 NeH+ neon hydrogen cation neh+  
188 ArH+ Argon hydride cation arh+  
189 KrH+ Protonated Krypton krh+  
190 XeH+ Xenon, protonated xeh+  
191 H2Ar H2 Ar dimer h2ar  
192 Co Cobalt atom cobalt  
193 Ni Nickel atom ni  
194 Li2 Lithium diatomic li2  
195 Li2- lithium diatomic anion li2-  
196 Li2+ lithium diatomic cation li2+  
197 NaLi lithium sodium lina  
198 NaLi- lithium sodium anion lina-  
199 NaLi+ lithium sodium cation lina+  
200 LiK Lithium Potassium lik  
201 Na2 Sodium diatomic na2  
202 Na2- sodium diatomic anion na2-  
203 Na2+ sodium diatomic cation na2+  
204 NaK Sodium Potassium nak  
205 NaK+ Sodium Potassium diatomic cation nak+  
206 K2 Potassium diatomic k2  
207 Cu2 Copper diatomic cu2  
208 LiBe Lithium Beryllium libe  
209 LiMg Lithium magnesium limg  
210 NaBe Sodium Beryllium nabe  
211 NaMg Sodium Magnesium namg  
212 Be2 Beryllium diatomic be2  
213 Be2- Beryllium diatomic anion be2-  
214 Be2+ Beryllium diatomic cation be2+  
215 BeMg Beryllium Magnesium bemg  
216 Mg2 Magnesium diatomic mg2  
217 Mg2- magnesium diatomic anion mg2-  
218 Mg2+ magnesium diatomic cation mg2+  
219 Ca2 Calcium diatomic ca2  
220 LiB Lithium boride lib  
221 LiAl Lithium Aluminum lial  
222 NaAl Sodium aluminum naal  
223 BeB Beryllium monoboride beb  
224 B2 Boron diatomic b2  
225 B2- Boron diatomic anion b2-  
226 B2+ Boron diatomic cation b2+  
227 BAl Boron Aluminum bal  
228 Al2- aluminum diatomic anion al2-  
229 Al2+ aluminum diatomic cation al2+  
230 BGa Boron Gallium bga  
231 AlGa Aluminum Gallium alga  
232 Ga2 Gallium diatomic ga2  
233 HBBH Diborane(2) hbbh  
234 LiBH4 Lithium borohydride libh4  
235 B2H4 Diborane(4) D2d b2h4  
236 HBHHBH Diborane(4) C2V hbhhbh  
237 B2H6+ Diborane cation b2h6  
238 Al2H6 dialane al2h6  
239 Ga2H6 digallane ga2h6  
240 LiC Lithium Carbide lic  
241 BeC Beryllium Carbide bec  
242 CaC Calcium monocarbide cac  
243 BC boron monocarbide bc  
244 BC- boron monocarbide anion bc-  
245 BC+ boron monocarbide cation bc+  
246 AlC Aluminum carbide alc  
247 BSi Boron silicide bsi  
248 C2- carbon diatomic anion c2-  
249 C2+ carbon diatomic cation c2+  
250 SiC- silicon monocarbide anion sic-  
251 SiC+ silicon monocarbide cation sic+  
252 Si2- silcon diatomic anion si2-  
253 Si2+ silcon diatomic cation si2+  
254 GeC Germanium monocarbide gec  
255 SiGe Silicon Germanium sige  
256 Ge2 Germanium diatomic ge2  
257 C2H- Ethynyl anion c2h-  
258 C2H+ Ethynyl cation c2h+  
259 ZnCH2 Zinc methylene znch2  
260 C2H2+ acetylene cation c2h2+  
261 CCH2 vinylidene vinylidene  
262 H2CC- vinylidene anion h2cc-  
263 HCCH- acetylene anion c2h2-  
264 Si2H2 disilyne si2h2  
265 CH3Li methyl lithium ch3li  
266 CuCH3 monomethyl copper cuch3  
267 ZnCH3 Zinc monomethyl znch3  
268 CH2BH methyleneborane ch2bh  
269 C2H3- vinyl anion c2h3-  
270 C2H3+ vinyl cation c2h3+  
271 C2H4- Ethylene anion c2h4-  
272 C2H4+ Ethylene cation c2h4+  
273 CH3CH methylmethylene ch3ch  
274 CH2SiH2 silaethylene ch2sih2  
275 Si2H4 Disilene si2h4  
276 CH3BH2 methylborane ch3bh2  
277 C2H5- Ethyl anion c2h5-  
278 C2H5+ Ethyl cation c2h5+  
279 C2H6+ ethane cation c2h6+  
280 GeH3CH3 methyl germane geh3ch3  
281 C2H7+ Ethane, protonated c2h7+  
282 LiN Lithium Nitride lin  
283 LiN+ Lithium Nitride cation lin+  
284 LiP Lithium monophosphide lip  
285 BeN Beryllium mononitride ben  
286 BeN- Beryllium mononitride anion ben-  
287 BeN+ Beryllium mononitride cation ben+  
288 MgN Magnesium Nitride mgn  
289 BN- boron nitride anion bn-  
290 AlN- aluminum mononitride anion aln-  
291 AlN+ aluminum mononitride cation aln+  
292 BP Boron monophosphide bp  
293 AlP Aluminum monophosphide alp  
294 GaN Gallium mononitride gan  
295 GaP Gallium monophosphide gap  
296 GaAs Gallium arsenide gaas  
297 BN boron nitride bn  
298 BN+ boron nitride cation bn+  
299 AlN Aluminum nitride aln  
300 CN- cyanide anion cn-  
301 CN+ Cyano cation cn+  
302 CP- carbon monophosphide anion cp-  
303 CP+ carbon monophosphide cation cp+  
304 SiN- silicon mononitride anion sin-  
305 SiN+ silicon mononitride cation sin+  
306 SiP Silicon monophosphide sip  
307 SiP- Silicon monophosphide anion sip-  
308 SiP+ Silicon monophosphide cation sip+  
309 TiN Titanium mononitride tin  
310 N2- nitrogen diatomic anion n2-  
311 N2+ diatomic nitrogen cation n2+  
312 PN- phosphorus nitride anion pn-  
313 PN+ phosphorus nitride cation pn+  
314 P2- phosphorus diatomic anion p2-  
315 P2+ phosphorus diatomic cation p2+  
316 AsN Arsenic mononitride asn  
317 AsP Arsenic monophosphide asp  
318 SbN Antimony nitride sbn  
319 As2 Arsenic diatomic as2  
320 HNB hydrogen nitrogen boron hnb  
321 HNC hydrogen isocyanide hnc  
322 HCN- Hydrogen cyanide anion hcn-  
323 HCN+ hydrogen cyanide cation hcn+  
324 HNC+ hydrogen isocyanide cation hnc+  
325 HCP+ Phosphaethyne cation hcp+  
326 NNH Dinitrogen monohydride nnh  
327 NNH+ Dinitrogen monohydride cation nnh+  
328 HPO+ Hydrogen phosphorus oxide cation hpo+  
329 LiNH2 lithium amide linh2  
330 HBNH Boranimine hbnh  
331 CNH2 Aminomethylidyne radical cnh2  
332 CNH2+ N-protonated hydrogen isocyanide cnh2+  
333 H2CN Dihydrogen cyanide radical h2cn  
334 H2CN+ hydrocyanonium cation h2cn+  
335 HCNH methyleneazane hcnh  
336 HCNH+ N-protonated HCN hcnh+  
337 H2NN Isodiazene h2nn  
338 N2H2 (E)-diazene n2h2  
339 N2H2 (Z)-Diazene n2h2z  
340 N2H2+ trans-diazene cation n2h2+  
341 CH2NH+ Methanimine cation ch2nh+  
342 CHNH2 aminomethylene chnh2  
343 CHNH2+ Aminocarbene cation chnh2+  
344 BH2NH2 Boranamine bh2nh2  
345 CH2NH2+ methyleneamine cation ch2nh2+  
346 N2H4+ hydrazine cation n2h4+  
347 CH3NH2+ methyl amine cation ch3nh2+  
348 SiH3NH2 Silane, amino sih3nh2  
349 N2H5+ protonated hydrazine n2h5+  
350 BH3PH3 borane phosphine bh3ph3  
351 BH3NH3 borane ammonia bh3nh3  
352 CH3NH3 methyl ammonium radical ch3nh3  
353 CH3NH3+ protonated methylamine ch3nh3+  
354 CH3PH3+ methyl phosphine, protonated ch3ph3+  
355 NH3NH3 Ammonia Dimer nh3nh3  
356 N2H7+ ammonia ammonium dimer n2h7+  
357 LiO lithium oxide lio  
358 LiO- lithium oxide anion lio-  
359 LiO+ lithium oxide cation lio+  
360 LiS Lithium monosulfide lis  
361 LiS+ Lithium sulfide cation lis+  
362 NaO sodium monoxide nao  
363 NaO- sodium oxide anion nao-  
364 NaO+ sodium oxide cation nao+  
365 KO Potassium monoxide ko  
366 KO+ Potassium monoxide cation ko+  
367 NaS Sodium sulfide nas  
368 CuO Copper Monoxide cuo  
369 LiSe Lithium monoselenide lise  
370 BeO beryllium oxide beo  
371 BeO- Beryllium monoxide anion beo-  
372 BeO+ Beryllium monoxide cation beo+  
373 BeS beryllium sulfide bes  
374 MgO magnesium oxide mgo  
375 MgO- magnesium oxide anion mgo-  
376 MgO+ magnesium oxide cation mgo+  
377 CaO Calcium monoxide cao  
378 MgS magnesium sulfide mgs  
379 MgS- magnesium sulfide anion mgs-  
380 MgS+ magnesium sulfide cation mgs+  
381 CaS Calcium sulfide cas  
382 ZnO zinc monoxide zno  
383 ZnS Zinc sulfide zns  
384 BeS- Beryllium monosulfide anion bes-  
385 BeS+ Beryllium monosulfide cation bes+  
386 BO- boron monoxide anion bo-  
387 AlO- Aluminum monoxide anion alo-  
388 AlO+ aluminum monoxide cation alo+  
389 BS- boron monosulfide anion bs-  
390 BS+ boron monosulfide cation bs+  
391 AlS- aluminum monosulfide anion als-  
392 AlS+ aluminum monosulfide cation als+  
393 ScO Scandium monoxide sco  
394 GaO Gallium monoxide gao  
395 GaS Gallium monosulfide gas  
396 BO+ boron monoxide cation bo+  
397 CO- carbon monoxide anion co-  
398 CO+ carbon monoxide cation co+  
399 CS- carbon monosulfide anion cs-  
400 CS+ carbon monosulfide cation cs+  
401 SiO- silicon monoxide anion sio-  
402 SiO+ silicon monoxide cation sio+  
403 SiS- silicon monosulfide anion sis-  
404 SiS+ silicon monosulfide cation sis+  
405 TiO Titanium monoxide tio  
406 CSe Carbon monoselenide cse  
407 CSe- Carbon monoselenide anion cse-  
408 CSe+ Carbon monoselenide cation cse+  
409 GeO Germanium monoxide geo  
410 GeO+ Germanium monoxide cation geo+  
411 GeS Germanium monosulfide ges  
412 SiSe Silicon Monoselenide sise  
413 SiSe+ Silicon Monoselenide cation sise+  
414 GeSe Germanium monoselenide gese  
415 NO- nitric oxide anion no-  
416 NO+ nitric oxide cation no+  
417 NS- nitrogen sulfide anion ns-  
418 NS+ nitrogen sulfide cation ns+  
419 PO- phosphorus monoxide anion po-  
420 PO+ phosphorus monoxide cation po+  
421 PS- phosphorus monosulfide anion ps-  
422 PS+ phosphorus monosulfide cation ps+  
423 VO Vanadium monoxide vo  
424 AsO Arsenic monoxide aso  
425 NSe Nitrogen monoselenide nse  
426 AsS Arsenic monosulfide ass  
427 PSe Phosphorus monoselenide pse  
428 AsSe Arsenic monoselenide asse  
429 O2- oxygen diatomic anion o2-  
430 O2-- dioxygen dianion o2--  
431 O2+ diatomic oxygen cation o2+  
432 SO- sulfur monoxide anion so-  
433 SO+ sulfur monoxide cation so+  
434 S2- sulfur diatomic anion s2-  
435 S2+ sulfur diatomic cation s2+  
436 SeO Selenium monoxide seo  
437 SeO- selenium monoxide anion seo-  
438 SeO+ selenium monoxide cation seo+  
439 SeS Selenium monosulfide ses  
440 SeS- selenium monosulfide anion ses-  
441 SeS+ selenium monosulfide cation ses+  
442 TeO Tellurium monoxide teo  
443 Se2 Selenium diatomic se2  
444 Se2- selenium diatomic anion se2-  
445 Se2+ selenium diatomic cation se2+  
446 Te2 Tellurium diatomic te2  
447 LiOH lithium hydroxide lioh  
448 NaOH sodium hydroxide naoh  
449 KOH Potassium hydroxide koh  
450 BeOH beryllium monohydroxide beoh  
451 MgOH magnesium hydroxide mgoh  
452 CaOH Calcium monohydroxide caoh  
453 COH Hydroxymethylidyne coh  
454 COH+ Carbon Monoxide, protonated coh+  
455 HCO- formyl anion hco-  
456 HCO+ Formyl cation hco+  
457 HCS Thioformyl radical hcs  
458 HCS- Thioformyl anion hcs-  
459 HCS+ Thioformyl cation hcs+  
460 HNO- Nitrosyl hydride anion hno-  
461 HNO+ Nitrosyl hydride cation hno+  
462 NOH Hydroxyimidogen noh  
463 NOH+ O-protonated nitric oxide noh+  
464 HNS Sulfur imide hns  
465 HNS- Sulfur imide anion hns-  
466 HO2- Hydroperoxy anion ho2-  
467 HO2+ Hydroperoxy cation ho2+  
468 HSO+ Sulfur Monoxide, S-protonated HSO+  
469 SOH Sulfur Hydroxide soh  
470 SOH+ Sulfur Monoxide, protonated soh+  
471 HS2 Thiosulfeno radical hs2  
472 H2CO- formaldehyde anion h2co-  
473 H2CO+ formaldehyde cation h2co+  
474 HOCH hydroxycarbene hoch  
475 H2CS- thioformaldehyde anion h2cs-  
476 H2CS+ thioformaldehyde cation h2cs+  
477 H2CSe Selenoformaldehyde h2cse  
478 H2NO nitroxide h2no  
479 H2O2+ Hydrogen peroxide cation h2o2+  
480 H2OO water oxide h2oo  
481 HOSH hydrogen thioperoxide hosh  
482 H2S2+ hydrogen disulfide cation h2s2+  
483 H2Se2 hydrogen diselenide h2se2  
484 CH2OH+ hydroxymethyl cation ch2oh+  
485 CH3O- methoxy anion ch3o-  
486 CH3O+ Methoxy cation ch3o+  
487 H2CSH+ Thioformaldehyde, protonated h2csh+  
488 NH2OH+ Hydroxylamine cation nh2oh+  
489 NH3O Ammonia Oxide nh3o  
490 H2POH Phosphinous acid h2poh  
491 H3PO Phosphine oxide h3po  
492 NH2SH Thiohydroxylamine nh2sh  
493 NH3S sulfidoazane nh3s  
494 H3O2+ hydrogen peroxide, protonated h3o2+  
495 CH3OH- Methyl alcohol anion ch3oh-  
496 CH3OH+ Methyl alcohol cation ch3oh+  
497 CH3SH+ Methanethiol cation ch3sh+  
498 SiH3OH silanol sih3oh  
499 CH3SeH Methane selenol ch3seh  
500 NH2OH2+ protonated hydroxylamine nh2oh2+  
501 NH3OH+ N-protonated hydroxylamine nh3oh+  
502 H2OH2O water dimer h2oh2o  
503 CH3OH2+ Methanol, protonated ch3oh2+  
504 CH3SH2+ protonated methylsulfide ch3sh2+  
505 H2ONH3 Water Ammonia Dimer h2onh3  
506 H5O2+ Dihydroxonium ion h5o2+  
507 LiF lithium fluoride lif  
508 LiCl lithium chloride licl  
509 LiCl- lithium chloride anion licl-  
510 LiCl+ lithium chloride cation licl+  
511 NaF sodium fluoride naf  
512 NaF- sodium fluoride anion naf-  
513 NaF+ sodium fluoride cation naf+  
514 KF Potassium Fluoride kf  
515 NaCl Sodium Chloride nacl  
516 NaCl- sodium chloride anion nacl-  
517 NaCl+ sodium chloride cation nacl+  
518 KCl Potassium Chloride kcl  
519 CuF Copper monofluoride cuf  
520 LiBr Lithium Bromide libr  
521 LiBr- lithium bromide anion libr-  
522 LiBr+ lithium bromide cation libr+  
523 CuCl Copper monochloride cucl  
524 NaBr Sodium Bromide nabr  
525 NaBr- sodium bromide anion nabr-  
526 NaBr+ sodium bromide cation nabr+  
527 KBr Potassium Bromide kbr  
528 LiI Lithium Iodide lii  
529 NaI Sodium Iodide nai  
530 KI Potassium Iodide ki  
531 LiF- lithium fluoride anion lif-  
532 LiF+ lithium fluoride cation lif+  
533 BeF Beryllium monofluoride bef  
534 BeF- Beryllium monofluoride anion bef-  
535 BeF+ Beryllium monofluoride cation bef+  
536 BeCl beryllium monochloride becl  
537 MgF Magnesium monofluoride mgf  
538 MgF- magnesium fluoride anion mgf-  
539 MgF+ magnesium fluoride cation mgf+  
540 CaF Calcium monofluoride caf  
541 MgCl magnesium monochloride mgcl  
542 MgCl- magnesium monochloride anion mgcl-  
543 MgCl+ magnesium monochloride cation mgcl+  
544 CaCl calcium monochloride cacl  
545 TiCl Titanium Monochloride ticl  
546 ZnF Zinc monofluoride znf  
547 ZnF- Zinc monofluoride anion znf-  
548 ZnF+ Zinc monofluoride cation znf+  
549 ZnCl Zinc monochloride zncl  
550 CaBr Calcium monobromide cabr  
551 BeCl- beryllium monochloride anion becl-  
552 BeCl+ beryllium monochloride cation becl+  
553 BF- Boron monofluoride anion bf-  
554 BF+ Boron monofluoride cation bf+  
555 AlF- Aluminum monofluoride anion alf-  
556 AlF+ Aluminum monofluoride cation alf+  
557 BCl- boron monochloride anion bcl-  
558 BCl+ boron monochloride cation bcl+  
559 AlCl Aluminum monochloride alcl  
560 AlCl- aluminum monochloride anion alcl-  
561 AlCl+ aluminum monochloride cation alcl+  
562 ScF Scandium monofluoride scf  
563 BBr Boron monobromide bbr  
564 GaF Gallium monofluoride gaf  
565 GaF+ Gallium monofluoride cation gaf+  
566 AlBr Aluminum monobromide albr  
567 GaCl Gallium monochloride gacl  
568 GaCl+ Gallium monochloride cation gacl+  
569 AlI Aluminum monoiodide ali  
570 GaBr Gallium monobromide gabr  
571 CF- carbon monofluoride anion cf-  
572 CF+ carbon monofluoride cation cf+  
573 CCl- carbon monochloride anion ccl-  
574 CCl+ carbon monochloride cation ccl+  
575 SiF- silicon monofluoride anion sif-  
576 SiF+ silicon monofluoride cation sif+  
577 SiCl- silicon monochloride anion sicl-  
578 SiCl+ silicon monochloride cation sicl+  
579 CBr Carbon monobromide cbr  
580 GeF Germanium monofluoride gef  
581 GeF+ Germanium monofluoride cation gef+  
582 GeCl Germanium monochloride gecl  
583 GeCl+ Germanium monochloride cation gecl+  
584 SiBr Silicon monobromide sibr  
585 SiBr+ Silicon monobromide cation sibr+  
586 NF- nitrogen monofluorine anion nf-  
587 NF+ nitrogen monofluoirde cation nf+  
588 NCl nitrogen monochloride ncl  
589 NCl- nitrogen monochloride anion ncl-  
590 NCl+ nitrogen monochloride cation ncl+  
591 PF- phosphorus monofluoride anion pf-  
592 PF+ phosphorus monofluoride cation pf+  
593 PCl- phosphorus monochloride anion pcl-  
594 PCl+ phosphorus monochloride cation pcl+  
595 AsF Arsenic monofluoride asf  
596 NBr nitrogen monobromide nbr  
597 AsCl Arsenic monochloride ascl  
598 PBr Phosphorus monobromide pbr  
599 SbF Antimony monofluoride sbf  
600 SbCl Antimony monochloride sbcl  
601 FO- flourine oxide anion fo-  
602 FO+ fluorine monoxide cation fo+  
603 ClO- chlorine monoxide anion clo-  
604 ClO+ chlorine monoxide cation clo+  
605 SF- sulfur monofluoride anion sf-  
606 SF+ sulfur monofluoride cation sf+  
607 SCl- sulfur monochloride anion scl-  
608 SCl+ sulfur monochloride cation scl+  
609 BrO Bromine monoxide bro  
610 BrO- Bromine monoxide anion bro-  
611 BrO+ Bromine monoxide cation bro+  
612 SeF Selenium monofluoride sef  
613 SBr Sulfur monobromide radical sbr  
614 SBr+ Sulfur monobromide cation sbr+  
615 SeCl Selenium monochloride secl  
616 IO Iodine monoxide io  
617 SeBr Selenium monobromide sebr  
618 BrCl Bromine monochloride brcl  
619 F2- flourine diatomic anion f2-  
620 F2+ flourine diatomic cation f2+  
621 ClF- clorine monofluoride anion clf-  
622 ClF+ clorine monofluoride cation clf+  
623 Cl2- chlorine diatomic anion cl2-  
624 Cl2+ chlorine diatomic cation cl2+  
625 BrF Bromine monofluoride brf  
626 BrF- bromine fluoride anion brf-  
627 BrF+ bromine fluoride cation brf+  
628 BrCl- bromine chloride anion brcl-  
629 BrCl+ bromine chloride cation brcl+  
630 IF Iodine monofluoride if  
631 Br2 Bromine diatomic br2  
632 Br2- bromine diatomic anion br2-  
633 Br2+ bromine diatomic cation br2+  
634 ICl Iodine monochloride icl  
635 IBr Iodine monobromide ibr  
636 I2 Iodine diatomic i2  
637 I2+ Iodine diatomic cation i2+  
638 HCCl Chloromethylene hccl  
639 HSiF fluorosilylene hsif  
640 HSiCl Chlorosilylene hsicl  
641 HSiBr monobromosilylene hsibr  
642 CHBr bromomethylene chbr  
643 HOCl+ hypochlorous acid cation hocl+  
644 HOBr Hypobromous acid hobr  
645 HOBr+ Hypobromous acid cation hobr+  
646 HOI Hypoiodous acid hoi  
647 F2H+ Fluorine, protonated f2h+  
648 FHF Hydrogen difluoride fhf  
649 FHF- Hydrogen difluoride anion fhf-  
650 ClFH+ Chlorine fluoride, F-protonated clfh+  
651 FClH+ Chlorine fluoride, Cl-protonated fclh+  
652 Cl2H+ Chlorine, protonated cl2h+  
653 CH2Br bromomethyl radical ch2br  
654 CH2F fluoromethyl radical ch2f  
655 CH2F+ fluoromethyl cation ch2f+  
656 CH2Cl+ chloromethyl cation ch2cl+  
657 CH2Cl chloromethyl radical ch2cl  
658 NH2F monofluoroamine nh2f  
659 NH2Cl chloramine nh2cl  
660 CH3F+ methyl fluoride cation ch3f+  
661 CD3F methylfluoride-d3 cd3f  
662 CD3Cl methyl chloride d3 cd3cl  
663 CH3Cl+ Methyl chloride cation ch3cl+  
664 CH3Br methyl bromide ch3br  
665 GeH3F monofluorogermane geh3f  
666 GeH3Cl monochlorogermane geh3cl  
667 SiH3Br bromosilane sih3br  
668 CH3I methyl iodide ch3i  
669 SiH3I Silyl Iodide sih3i  
670 NH3Cl+ protonated monochloroammonia nh3cl+  
671 CH3ClH+ methyl chloride, protonated ch3clh+  
672 NH4Cl Ammonium chloride nh4cl  
673 LiNe+ Lithium Neon cation line+  
674 Ne2 Neon diatomic ne2  
675 Ne2+ Neon diatomic cation ne2+  
676 Ar2 Argon diatomic ar2  
677 Ar2+ Argon diatomic cation ar2+  
678 Li3 Lithium trimer li3  
679 Li3+ Lithium trimer cation li3+  
680 C3+ carbon trimer cation c3+  
681 SiC2 Silicon dicarbide sic2  
682 C3H3 cyclopropenyl radical cpr  
683 C3H3- Propargyl anion c3h3-  
684 C3H3+ cyclopropenyl cation cpr+  
685 C3H3+ Propargyl cation c3h3+  
686 C3H4 cyclopropene cprop  
687 C3H5+ Allyl cation allyl+  
688 CH3CHCH 1-propenyl radical ch3chch  
689 Zn(CH3)2 dimethyl zinc dmz  
690 C3H7+ cyclopropane, protonated c3h7+  
691 CH3CHCH3+ Isopropyl cation prop2yl+  
692 SiH2(CH3)2 dimethylsilane dms  
693 Si3H8 trisilane si3h8  
694 LiCN lithium cyanide licn  
695 NaCN Sodium Cyanide nacn  
696 KCN Potassium cyanide kcn  
697 CuCN Copper cyanide cucn  
698 ZnCN Zinc monocyanide zncn  
699 ZnNC Zinc isocyanide znnc  
700 AlCN Aluminum monocyanide alcn  
701 AlNC Aluminum isocyanide alnc  
702 CN2 3H-Diazirin-3-ylidene cn2  
703 CNN Diazocarbene cnn  
704 NCN Cyanoimidogen ncn  
705 N3 azide radical n3  
706 N3- azide anion n3-  
707 N3+ azide cation n3+  
708 HCCN cyanomethylene hccn  
709 HCNN diazomethyl radical hcnn  
710 HN3 hydrogen azide hn3  
711 HN3+ Hydrazoic acid cation hn3+  
712 HNCNH diiminomethane hncnh  
713 CH2N2 diazirine ch2n2  
714 CH2NN diazomethane ch2nn  
715 NH2CN cyanamide cyanamide  
716 HNNNH+ 1,2-Triazadienium n2h3+  
717 NH2NN+ hydrazoic acid, protonated nh2nn+  
718 CH3CN- acetonitrile anion ch3cn-  
719 CH3CN+ Acetonitrile cation ch3cn+  
720 CH3NC methyl isocyanide ch3nc  
721 CHNCH2 2H-Azirine c157164  
722 CHNHCH 1H-Azirine chnhch  
723 H2CCNH Ethenimine ch2cnh  
724 H2CNCH methyleneaminomethylene ch2nch  
725 HCCNH2 Ethynamine hccnh2  
726 HCNCH2+ 2H-Azirine cation hcnch2+  
727 HNCNH2+ diiminomethane, protonated hncnh2+  
728 NCNH3+ Cyanamide, protonated ncnh3+  
729 NH2CNH+ cyanamide, cn protonated nh2cnh+  
730 NH3CN+ cyanamide, amine protonated nh3cn+  
731 CH2CHNH vinylazine ch2chnh  
732 CH3CHN methylmethaniminyl radical ch3chn  
733 NHCHNH2 aminomethanimine cn2h4  
734 CH2CHNH2 aminoethene aminoethene  
735 CH2NCH3 N-methylmethanimine nmm  
736 CH3CHNH ethanimine ethanimine  
737 NH2BHNH2 diaminoborane nh2bhnh2  
738 C2H5NH+ Protonated Aziridine c2h5nh+  
739 C2H6N+ aziridine, protonated c2h6n+  
740 NH2CH2NH2 diaminomethane nh2ch2nh2  
741 CH3PHCH3 dimethylphosphine ch3phch3  
742 NH2CH2NH3+ diaminoethane, protonated pdam  
743 (CH3)2NH2+ dimethylammonium cation dmam  
744 CH3CH2NH3+ ethylamine, protonated pea  
745 Li2O dilithium oxide li2o  
746 Li2O+ dilithium oxide cation li2o+  
747 Li2S dilithium sulfide li2s  
748 Na2O disodium monoxide na2o  
749 Na2S Sodium sulfide na2s  
750 LiO2 Lithium dioxide lio2  
751 NaO2 Sodium superoxide nao2  
752 CCO Dicarbon monoxide cco  
753 CNO- fulminate cno-  
754 NCO isocyanato radical nco  
755 NCO- cyanate nco-  
756 SCN thiocyanato radical scn  
757 SCN- thiocyanide anion scn-  
758 BO2- Boron dioxide anion bo2-  
759 BO2+ Boron dioxide cation bo2+  
760 N2O- Nitrous oxide anion n2o-  
761 N2O+ Nitrous oxide cation n2o+  
762 NNS Nitrogen sulfide nns  
763 PPO Phosphorus oxide phosphide ppo  
764 CO2- Carbon dioxide anion co2-  
765 CO2+ Carbon dioxide cation co2+  
766 OCS+ Carbonyl sulfide cation cos+  
767 CS2- Carbon disulfide anion cs2-  
768 CS2+ Carbon disulfide cation cs2+  
769 TiO2 Titanium dioxide tio2  
770 SiS2 Silicon disulfide sis2  
771 GeO2 Germanium dioxide geo2  
772 OCSe Carbonyl selenide ocse  
773 SCSe Carbon sulfide selenide scse  
774 GeS2 Germanium disulfide ges2  
775 CSe2 Carbon diselenide cse2  
776 SCTe Carbon sulfide Telluride scte  
777 NO2- Nitrogen dioxide anion no2-  
778 NO2+ Nitrogen dioxide cation no2+  
779 NSO sulfinyl amidogen NSO  
780 PO2- Phosphorus dioxide anion po2-  
781 PO2+ Phosphorus dioxide cation po2+  
782 SNO Nitrogen oxide sulfide sno  
783 AsO2 Aresenic dioxide aso2  
784 O3- Ozone anion o3-  
785 O3+ Ozone cation o3+  
786 SO2- Sulfur dioxide anion so2-  
787 SO2+ Sulfur dioxide cation so2+  
788 S3 Sulfur trimer s3  
789 S3- Sulfur trimer anion s3-  
790 S3+ Sulfur trimer cation s3+  
791 SeO2 Selenium dioxide seo2  
792 SeO2+ Selenium dioxide cation seo2+  
793 TeO2 Tellurium Dioxide teo2  
794 HCCO ketenyl radical ketenyl  
795 CS2H+ Carbon disulfide, protonated cs2h+  
796 HCNO fulminic acid hcno  
797 HOCN cyanic acid hocn  
798 HNCS Isothiocyanic acid hncs  
799 HSCN thiocyanic acid hscn  
800 HCO2- formate anion hco2-  
801 HNNO nitrosoazane hnno  
802 HNNO+ Nitrous oxide, N-protonated hnno+  
803 NNOH+ Nitrous Oxide, O-protonated nnoh+  
804 HCOO formate neutral radical hcoo  
805 HOCO Hydrocarboxyl radical hoco  
806 HOCO+ Hydrocarboxyl cation hoco+  
807 HNO2+ nitrous acid cation hno2+  
808 O3H+ protonated ozone o3h+  
809 SO2H+ protonated sulfur dioxide so2h+  
810 C2H2O Oxirene oxirene  
811 CH2CO+ Ketene cation ch2co+  
812 HCCOH ethynol hccoh  
813 CH2CS Thioketene ch2cs  
814 Be(OH)2 Beryllium hydroxide beo2h2  
815 Mg(OH)2 Magnesium dihydroxide h2mgo2  
816 NH2NO Nitrosamide nh2no  
817 CH2O2 Dioxirane diox  
818 H2COO Dioxymethyl radical h2coo  
819 H2COO+ dioxymethyl cation h2coo+  
820 H2O3 Hydrogen trioxide h2o3  
821 HSSSH trisulfane hsssh  
822 NaOCH3 Sodium methoxide naoch3  
823 CH2BOH hydroxy(methylene)borane ch2boh  
824 BH3CO Borane carbonyl bh3co  
825 CH3BO Borane, methyloxo- ch3bo  
826 CH2CHO Vinyloxy radical ch2cho  
827 CH2COH+ ketene, protonated ch2coh+  
828 CH3CO- Acetyl anion ch3co-  
829 CH3CO+ acetyl cation ch3co+  
830 CH2NOH formaldoxime ch2noh  
831 CH3NO nitrosomethane ch3no  
832 CNOH3 1,2-oxaziridine cnoh3  
833 HOCHNH hydroxymethylimine hochnh  
834 CHSNH2 thioformamide chsnh2  
835 NHCHSH Methanimidothioic acid nhchsh  
836 CH2OOH CH2OOH radical ch2ooh  
837 CH3OO methylperoxy radical ch3oo  
838 CH3OO- methylperoxy anion ch3oo-  
839 CH3OO+ methylperoxy cation ch3oo+  
840 C2H4O+ ethylene oxide cation c2h4o+  
841 CH2CHOH ethenol ch2choh  
842 CH3CHO+ acetaldehyde cation ch3cho+  
843 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
844 CH2CHSH Ethenethiol ch2chsh  
845 H2CONH2+ protonated formamide h2conh2+  
846 NH2CHOH+ Formamide, O-protonated nh2choh+  
847 NH3CHO+ Formamide, N-Protonated nh3cho+  
848 CH2(OH)2 methanediol ch2o2h2  
849 CH3OOH Methyl peroxide ch3ooh  
850 CH3SSH Hydrogen methyl disulfide ch3ssh  
851 HSCH2SH Methanedithiol ch4s2  
852 H2OH2CO water formaldehyde dimer h2oh2co  
853 C2H4OH+ ethylene oxide, protonated c2h4oh+  
854 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
855 CH3CH2O Ethoxy radical ethoxy  
856 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
857 CH3CHOH+ acetaldehyde, protonated ch3choh+  
858 CH3OCH2 methoxymethyl radical ch3och2  
859 NH2CH2OH aminomethanol nh2ch2oh  
860 CH3SCH3+ dimethyl sulfide cation mesme+  
861 CH3SeCH3 dimethylselenide dmse  
862 CH3OHH2O methanol water dimer ch3ohh2o  
863 H2OCH3OH water methanol dimer h2och3oh  
864 CuF2 Copper difluoride cuf2  
865 ZnF2 Zinc difluoride znf2  
866 CNF iso cyanogen fluoride cnf  
867 FCN Cyanogen fluoride fcn  
868 BrCN Cyanogen bromide brcn  
869 ICN Cyanogen iodide icn  
870 FBO Boron monofluoride monoxide fbo  
871 BeF2 Beryllium fluoride bef2  
872 MgF2 Magnesium fluoride mgf2  
873 BeCl2 Beryllium chloride becl2  
874 MgCl2 Magnesium dichloride mgcl2  
875 CaCl2 Calcium Chloride cacl2  
876 ZnCl2 Zinc dichloride zncl2  
877 BeBr2 Beryllium bromide bebr2  
878 CaBr2 Calcium dibromide cabr2  
879 CaF2 Calcium difluoride caf2  
880 FCO Carbonyl fluoride fco  
881 FCO+ Carbonyl fluoride cation fco+  
882 ClCO carbonyl monochloride clco  
883 BF2 Boron difluoride radical bf2  
884 FNS Thionitrosyl fluoride fns  
885 FSN Thiazyl fluoride fsn  
886 OPCl Phosphorus oxychloride opcl  
887 BrNO Nitrosyl bromide brno  
888 INO Nitrosyl iodide ino  
889 CF2- Difluoromethylene anion cf2-  
890 CF2+ Difluoromethylene cation cf2+  
891 CFCl chlorofluoromethylene cfcl  
892 SiF2 Silicon difluoride sif2  
893 SiF2+ Silicon difluoride cation sif2+  
894 CCl2- dichloromethylene anion ccl2-  
895 CCl2+ dichloromethylene cation ccl2+  
896 GeF2 Germanium difluoride gef2  
897 GeCl2 Germanium dichloride gecl2  
898 CBr2 dibromomethylene cbr2  
899 FOO+ Fluorine dioxide cation foo+  
900 ClOO+ chloroperoxy cation cloo+  
901 OClO- Chlorine dioxide anion oclo-  
902 OClO+ Chlorine dioxide cation oclo+  
903 ClSO Sulfur chloride oxide clso  
904 BrOO Bromine dioxide broo  
905 OBrO Bromine dioxide radical obro  
906 NF2+ Difluoroamino cation nf2+  
907 PF2 Phosphorus difluoride pf2  
908 PF2+ Phosphorus difluoride cation pf2+  
909 FClO chlorosyl fluoride fclo  
910 ClOF Chlorine hypofluorite clof  
911 SF2 sulfur difluoride sf2  
912 SF2- sulfur difluoride anion sf2-  
913 SF2+ sulfur difluoride cation sf2+  
914 SCl2 Sulfur dichloride scl2  
915 SeF2 Selenium difluoride sef2  
916 BrOCl Bromine hypochlorite brocl  
917 SeCl2 Selenium Dichloride secl2  
918 SBr2 Sulfur dibromide sbr2  
919 SeBr2 Selenium dibromide sebr2  
920 BrOBr Bromine oxide brobr  
921 F3- trifluoride anion f3-  
922 Cl3- trichloride anion cl3-  
923 Br3- tribromide anion br3-  
924 I3- triiodide i3-  
925 SFCl Sulfur chloride fluoride sfcl  
926 HCCF Fluoroacetylene hccf  
927 HCCF+ fluoroacetylene cation hccf+  
928 HCCCl Chloroacetylene hcccl  
929 HCCBr bromoacetylene hccbr  
930 HFCO formyl fluoride hfco  
931 HFCO+ formyl fluoride cation hfco+  
932 COHCl Formyl chloride cohcl  
933 COHBr Formyl bromide cohbr  
934 CHCl2 dichloromethyl radical chcl2  
935 CHF2 difluoromethyl radical chf2  
936 CHF2+ difluoromethyl cation chf2+  
937 CHFCl Chlorofluoromethyl radical chfcl  
938 CHFCl+ Chlorofluoromethyl cation chfcl+  
939 CHCl2+ dichloromethyl cation chcl2+  
940 CHBr2 dibromomethyl radical chbr2  
941 HOClO Chlorous acid hoclo  
942 NHF2 difluoramine nhf2  
943 NHCl2 dichloroamine nhcl2  
944 CH2FCl fluorochloromethane ch2fcl  
945 SiH2F2 difluorosilane sih2f2  
946 CH2BrF Methane, bromofluoro- ch2fbr  
947 CH2BrCl Methane, bromochloro- ch2clbr  
948 CH2FI fluoroiodomethane ch2fi  
949 CH2ClI chloroiodomethane ch2cli  
950 CH2BrI bromoiodomethane ch2bri  
951 CH2I2 Diiodomethane ch2i2  
952 SiH2Cl2 dichlorosilane sih2cl2  
953 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
954 CH2CHF+ fluoroethene cation ch2chf+  
955 C2H3Br vinyl bromide c2h3br  
956 C2H3I Vinyl iodide c2h3i  
957 CH2FOH fluoromethanol ch2foh  
958 CH3OCl methyl hypochlorite ch3ocl  
959 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
960 CHClCH3 1-chloroethyl radical chclch3  
961 C2H5F fluoroethane c2h5f  
962 CH3SiFH2 fluoromethylsilane ch3sifh2  
963 C2H5Br Ethyl bromide etbr  
964 C2H5I Ethyl iodide c2h5i  
965 KrF2 Krypton difluoride krf2  
966 XeF2 Xenon difluoride xef2  
967 B4H10 Tetraborane(10) b4h10  
968 C4 Carbon tetramer c4  
969 C4+ Carbon tetramer cation c4+  
970 C4H2 Diacetylene c4h2  
971 C4H2+ diacetlyene cation c4h2+  
972 C2H3CCH 1-Buten-3-yne c2h3cch  
973 C4H4 cyclobutadiene cbd  
974 C4H4 Tetrahedrane c4h4  
975 H2CCCCH2 Butatriene h2cccch2  
976 CHCCH2CH3 1-Butyne c107006  
977 CH3CHCHCH2 methylallyl radical c4h7  
978 C4H8 methylcyclopropane mcp  
979 CH2CHCH2CH3 1-Butene bute1  
980 B(CH3)3 trimethylborane bme3  
981 Al(CH3)3 trimethyl aluminum tma  
982 SiH(CH3)3 trimethylsilane trimsi  
983 Li3N trilithium nitride li3n  
984 C2N2+ Cyanogen cation c2n2+  
985 As4 Arsenic tetramer as4  
986 HCCCN Cyanoacetylene hcccn  
987 HCCCN+ Cyanoacetylene cation hcccn+  
988 H2CNCN cyanamide, methylene ch2ncn  
989 HNCCNH Ethenediimine hnccnh  
990 C3H3N+ acrylonitrile cation ch2chcn+  
991 CH3N3 methyl azide ch3n3  
992 NH2CCNH2 Diaminoacetylene daa  
993 NH2CH2CN Aminoacetonitrile aan  
994 CH3NHN2+ methyl azide, protonated ch3nhn2+  
995 C2H5CN ethyl cyanide c2h5cn  
996 CH5N3 Guanidine guanidine  
997 C4H6 Bicyclo[1.1.0]butane c157335  
998 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
999 H2NCHCHNH2 diaminoethylene dae  
1000 CH6N3+ guanidinium ch6n3+  
1001 CH7N3 triaminomethane tam  
1002 C3H7N Azetidine azet  
1003 CH3NHNHCH3 dimethyl hydrazine dmh  
1004 P(CH3)3 trimethylphosphine tmp  
1005 N(SiH3)3 trisilylamine tsa  
1006 As(CH3)3 trimethyl arsine tmas  
1007 (CH3)3NH+ protonated trimethyl amine ptma  
1008 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1009 Li2O2 dilithium dioxide li2o2  
1010 Na2O2 disodium dioxide na2o2  
1011 K2O2 dipotassium dioxide k2o2  
1012 C3O Tricarbon monoxide c3o  
1013 ONNO NO dimer onno  
1014 S2N2 Disulfur dinitride s2n2  
1015 CO3 Carbon trioxide co3  
1016 CO3-- carbonate co3--  
1017 CS3-- Carbonotrithioate cs3--  
1018 NO3 Nitrogen trioxide no3  
1019 NO3- nitrate anion no3-  
1020 NO3+ nitrogen trioxide cation no3+  
1021 SO3- Sulfur trioxide anion so3-  
1022 SO3-- Sulfate dianion so3--  
1023 SO3+ Sulfur trioxide cation so3+  
1024 SeO3 selenium trioxide seo3  
1025 S4 Sulfur tetramer s4  
1026 TeO3 Tellurium trioxide teo3  
1027 HCO3- bicarbonate anion hco3-  
1028 HSO3 Hydroxysulfonyl radical hso3  
1029 NH2NO2 nitramide nh2no2  
1030 C2H2CO cyclopropenone c2h2co  
1031 C3H2O Propadienal c3h2o  
1032 HCCCHO 2-propynal hcccho  
1033 C2H2O2+ Ethanedial cation c2h2o2+  
1034 H2CO3 Carbonic acid h2co3  
1035 H2CS3 thiocarbonic acid h2cs3  
1036 H2NO3+ Nitric Acid, Protonated h2no3+  
1037 H2SO3 Sulfurous acid h2so3  
1038 C2H3NO Nitrosoethylene c2h3no  
1039 CH3NCO methylisocyante ch3nco  
1040 HOCH2CN cyanomethanol hoch2cn  
1041 CH3COO- acetate anion ch3coo-  
1042 NH2COOH Carbamic acid nh2cooh  
1043 H3BO3 Boric acid h3bo3  
1044 H3AlO3 Aluminum hydroxide h3alo3  
1045 H3CO3+ carbonic acid, protonated h3co3+  
1046 C3H4O 2-Propyn-1-ol c107197  
1047 C3H4O allenol c9000071  
1048 C3H4O Methylketene c6004440  
1049 CH2CHCHO Acrolein c3h4o  
1050 NH2CONH2+ Urea cation urea+  
1051 C2H4O2 1,3-dioxetane c2h4o2  
1052 CHOCH2OH hydroxy acetaldehyde haa  
1053 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1054 NH3COOH+ protonated Carbamic acid nh3cooh+  
1055 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1056 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1057 HCOOHH2O Formic acid water dimer hcoohh2o  
1058 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1059 CH3COCH2 Acetonyl radical ch3coch2  
1060 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1061 CH3C(OH)=NH Ethaninidic acid eia  
1062 HCONHCH3 N-methylformamide nmfa  
1063 CH3CSNH2 Ethanethioamide ch3csnh2  
1064 CH5N2O+ urea, N-protonated ch4n2o+  
1065 H2NCOHNH2+ urea, protonated ureah+  
1066 C2H5OO ethylperoxy radical c2h5oo  
1067 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1068 C3H5OH Cyclopropanol cproh  
1069 C3H6O 2-Propen-1-ol c107186  
1070 C3H6O Acetone enol enol  
1071 C3H6O Oxetane oxetane  
1072 CH3COCH3- acetone anion ch3coch3-  
1073 CH3CSCH3 Thioacetone ch3csch3  
1074 CH3OOCH3 dimethylperoxide dmp  
1075 CH3COHCH3+ acetone, protonated acetoneh+  
1076 HOCH2CH2NH2 monoethanolamine mea  
1077 C3H7OH 1-Propanol proh  
1078 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1079 Li2F2 Lithium fluoride dimer li2f2  
1080 Na2F2 Sodium Fluoride Dimer na2f2  
1081 Na2Cl2 Disodium dichloride na2cl2  
1082 C2F2 difluoroacetylene c2f2  
1083 C2Cl2 dichloroacetylene c2cl2  
1084 C2Cl2+ dichloroacetylene cation c2cl2+  
1085 FNO2 Nitryl fluoride fno2  
1086 FONO Nitrosyl hypofluorite fono  
1087 ClONO chlorine nitrite clono  
1088 BrONO Bromine nitrite brono  
1089 CF2O+ Carbonic difluoride cation f2co+  
1090 COFCl Carbonic chloride fluoride cofcl  
1091 Cl2CS Thiophosgene cl2cs  
1092 COBr2 Carbonic dibromide cobr2  
1093 BF3- Borane, trifluoro- anion bf3-  
1094 BF3+ boron trifluoride cation bf3+  
1095 BClF2 Chlorodifluoroborane bclf2  
1096 ScF3 Scandium trifluoride ScF3  
1097 BCl3+ Boron Trichloride cation bcl3+  
1098 GaF3 Gallium trifluoride gaf3  
1099 GaCl3 Gallium trichloride gacl3  
1100 BBr3 Boron tribromide bbr3  
1101 AlBr3 Aluminum Bromide albr3  
1102 ClO3 Chlorine trioxide clo3  
1103 ClO3- chlorate anion clo3-  
1104 BrO3- Bromate anion bro3-  
1105 CF3- Trifluoromethyl anion cf3-  
1106 CF3+ Trifluoromethyl cation cf3+  
1107 CF2Cl difluorochloromethyl radical cf2cl  
1108 SiF3 Silicon trifluoride radical sif3  
1109 SiF3+ Silicon trifluoride cation sif3+  
1110 CFCl2 dichlorofluoromethyl radical cfcl2  
1111 CCl3- Trichloromethyl anion ccl3-  
1112 CCl3+ Trichloromethyl cation ccl3+  
1113 SiCl3 trichlorosilyl radical sicl3  
1114 SiCl3+ trichlorosilyl cation sicl3+  
1115 CBr3 tribromomethyl radical cbr3  
1116 FOOF Perfluoroperoxide foof  
1117 ClO2F Chloryl fluoride clo2f  
1118 F2SO Thionyl Fluoride f2so  
1119 ClOOCl Dichlorine dioxide cloocl  
1120 FSSF Difluorodisulfane fssf  
1121 S2F2 Thio-thionyl fluoride s2f2  
1122 SOCl2 thionyl chloride socl2  
1123 SSCl2 Thiothionyl chloride sscl2  
1124 SeOCl2 selenium oxychloride seocl2  
1125 NF3- Nitrogen trifluoride anion nf3-  
1126 NF3+ Nitrogen trifluoride cation nf3+  
1127 NCl3 nitrogen trichloride ncl3  
1128 AsF3 Arsenic trifluoride asf3  
1129 SbF3 Antimony Trifluoride sbf3  
1130 AsCl3 Arsenous trichloride ascl3  
1131 SbCl3 Antimony Trichloride sbcl3  
1132 NBr3 Nitrogen Tribromide nbr3  
1133 PBr3 Phosphorus tribromide pbr3  
1134 AsBr3 Arsenic tribromide asbr3  
1135 NI3 Nitrogen triiodide ni3  
1136 PI3 Phosphorus triiodide pi3  
1137 ClSSCl Disulfur dichloride s2cl2  
1138 SF3 Sulfur trifluoride sf3  
1139 ClF3 Chlorine trifluoride clf3  
1140 BrF3 Bromine trifluoride brf3  
1141 IF3 iodone trifluoride if3  
1142 HClO3 Chloric Acid hclo3  
1143 CHF2Cl difluorochloromethane chf2cl  
1144 SiHF3 trifluorosilane sihf3  
1145 CHFCl2 fluorodichloromethane chfcl2  
1146 CDCl3 trichloromethane-d cdcl3  
1147 CHBrF2 Methane, bromodifluoro- chbrf2  
1148 CHFClBr fluorochlorobromomethane chfclbr  
1149 CHBrCl2 Methane, bromodichloro- chbrcl2  
1150 CHF2I difluoroiodomethane chf2i  
1151 CHBr2F dibromofluoromethane chbr2f  
1152 CHFClI fluorochloroiodomethane chfcli  
1153 CHCl2I dichloroiodomethane chcl2i  
1154 CHClBr2 Methane, dibromochloro- chclbr2  
1155 CHBr3 bromoform chbr3  
1156 CHI3 Iodoform chi3  
1157 NF3H+ protonated nitrogen trifluoride nf3h+  
1158 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1159 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1160 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1161 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1162 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1163 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1164 C2H2Br2 1,1-dibromoethene c2h2br2  
1165 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1166 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1167 CH2FCHO Fluoroacetaldehyde ch2fcho  
1168 CH2ClCHO chloroacetaldehyde ch2clcho  
1169 C2H4F2 1,2-difluoroethane c2h4f2  
1170 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1171 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1172 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1173 CH2CFCH3 2-fluoropropene 2fpro  
1174 CH2CHCH2F Allyl Fluoride allylf  
1175 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1176 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1177 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1178 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1179 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1180 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1181 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1182 CH2FCH2CH3 1-Fluoropropane prf1  
1183 CH3CHFCH3 2-Fluoropropane prf2  
1184 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1185 CH3CHClCH3 Propane, 2-chloro- prcl2  
1186 CH3CH2CH2Br n-propyl bromide prbr  
1187 CH3CHBrCH3 i-propyl bromide iprbr  
1188 C3H9O+ trimethyl oxonium cation c3h9o+  
1189 B5H9 pentaborane9 b5h9  
1190 C5H4 pentatetraene ptrene  
1191 C5H5 cyclopentadienyl radical c5h5  
1192 C5H5- cylopentadienyl anion c5h5-  
1193 C5H6 Propellane propellane  
1194 C5H7 1,3-pentadienyl radical pdyl  
1195 C5H7 cyclopentenyl radical cpyl  
1196 C5H8 1-pentyne a1pentyne  
1197 C5H8 Bicyclo[1.1.1]pentane bcp  
1198 C5H8 Ethenylcyclopropane c693867  
1199 CH3CCCH2CH3 2-Pentyne 2pentyne  
1200 CH2CHCH2CH2CH3 1-pentene pentene  
1201 Si(CH3)4 tetramethylsilane tms  
1202 CH2N4 1H-Tetrazole 1htz  
1203 C3H3N2 imidazolyl radical im  
1204 C3H3N2- imidizolyl anion im-  
1205 C2H3N3 1H-1,2,4-Triazole c288880  
1206 C4H4N pyrrolide radical c4h4n  
1207 C4H4N- pyrrolide anion c4h4n-  
1208 C3H4N2 2H-Imidazole imid2h  
1209 C3H4N2 4H-Imidazole imid4h  
1210 C4H5N 2H-pyrrole pyrrole2  
1211 C4H5N 3H-pyrrole pyrrole3  
1212 CH2CHCH2CN Allylcyanide ch2chch2cn  
1213 C4H6N+ pyrrole, alpha-protonated appyr  
1214 C4H6N+ pyrrole, beta-protonated bppyr  
1215 C4H6N+ pyrrole, protonated ppyr  
1216 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1217 CH3CH2CH2CN Butanenitrile c109740  
1218 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1219 NH(C2H5)2 diethylamine dea  
1220 NC4H12+ tetramethyl ammonium cation nc4h12+  
1221 C3O2+ Carbon suboxide cation c3o2+  
1222 B2O3 diboron trioxide b2o3  
1223 MgCO3 Magnesium Carbonate mgco3  
1224 BeCO3 Beryllium Carbonate beco3  
1225 CaCO3 Calcium Carbonate caco3  
1226 ONONO Nitrosyl nitrite onono  
1227 PO4--- phosphate po4---  
1228 SO4-- sulfate so4--  
1229 HOONO2 peroxy nitric acid hoono2  
1230 HSO4- bisulfate anion hso4-  
1231 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1232 C3H2O2 Propiolic acid c3h2o2  
1233 CHOCOOH oxo acetic acid oaa  
1234 CHOOCHO diformyl ether choocho  
1235 H2SeO4 Selenic acid h2seo4  
1236 C3H3NO Oxazole oxazole  
1237 C3H3NS Thiazole thiazole  
1238 CH3C(O)OO acetyl peroxy radical ch3coo2  
1239 H3PO4 Phosphoric Acid h3po4  
1240 C4H4O+ Furan cation furan+  
1241 CH3COCCH 3-butyn-2-one c1423605  
1242 C4H4Se selenophene c4h4se  
1243 C3H4O2 Methyl glyoxal megly  
1244 C3H4O2 propanedial propanedial  
1245 C3H4O2 propenalol propenalol  
1246 HOCHCCHOH allenediol aldiol  
1247 C2H4O3 1,2,3-trioxolane c2h4o3  
1248 C2H4O3 trioxolane124 triox  
1249 HOCH2COOH Hydroxyacetic acid hac  
1250 H2NCH2COOH Glycine glycine  
1251 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1252 C4H6O cis-2-butenal butenal2c  
1253 C4H6O Furan, 2,5-dihydro- furan25h  
1254 CH3CH2COOH Propanoic Acid propanoic  
1255 HCOOC2H5 Ethyl formate faee  
1256 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1257 C3H7NO dimethylformamide dmf  
1258 C4H8O Furan, tetrahydro- thf  
1259 C3H8O2 1,3-Propanediol c504632  
1260 C4H10O 1-Butanol butanol1  
1261 C4H10O 1-Propanol, 2-methyl- c78831  
1262 C4H10O Methyl propyl ether meopr  
1263 C4H10O+ 1-Butanol cation butanol1+  
1264 C4H9SH 1-Butanethiol bush  
1265 ClONO2 Chlorine nitrate clono2  
1266 BrONO2 Bromine nitrate brono2  
1267 TiCl4 Titanium tetrachloride ticl4  
1268 ClO4- perchlorate anion clo4-  
1269 BF4- tetrafluoroboron anion bf4-  
1270 SO2F2 Sulfuryl fluoride so2f2  
1271 TiF4 Titanium tetrafluoride tif4  
1272 CF3Br Bromotrifluoromethane cf3br  
1273 GeF4 Germanium tetrafluoride gef4  
1274 CCl4+ Carbon tetrachloride cation ccl4+  
1275 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1276 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1277 CF3I trifluoroiodomethane cf3i  
1278 CBrCl3 Methane, bromotrichloro- cbrcl3  
1279 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1280 GeCl4 Germanium Tetrachloride gecl4  
1281 CBr2ClF dibromochlorofluoromethane cbr2clf  
1282 CBr2Cl2 dibromodichloromethane cbr2cl2  
1283 CCl3I trichloroiodomethane ccl3i  
1284 CFBr3 fluorotribromomethane cfbr3  
1285 CFClBrI fluorochlorobromoiodomethane cfclbri  
1286 CBr3Cl tribromochloromethane cbr3cl  
1287 CF2I2 difluorodiiodomethane cf2i2  
1288 CBr4 Carbon tetrabromide cbr4  
1289 CCl2I2 dichlorodiiodomethane ccl2i2  
1290 SiBr4 Silicon tetrabromide sibr4  
1291 CBr3I tribromoiododmethane cbr3i  
1292 GeBr4 Germanium tetrabromide gebr4  
1293 CI4 tetraiodomethane ci4  
1294 SiI4 silicon tetraiodide sii4  
1295 ClOF3 Chlorine trifluoride oxide clof3  
1296 SF4 Sulfur tetrafluoride sf4  
1297 SeF4 Selenium tetrafluoride sef4  
1298 SCl4 Sulfur tetrachloride scl4  
1299 C2HF3 Trifluoroethylene c2hf3  
1300 C2HF3+ Trifluoroethylene cation c2hf3+  
1301 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1302 HClO4 perchloric acid hclo4  
1303 CF3OH trifluoromethanol cf3oh  
1304 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1305 CHClCCHCl 1,3-dichloroallene chclcchcl  
1306 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1307 CHCl2CHO dichloroacetaldehyde chcl2cho  
1308 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1309 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1310 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1311 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1312 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1313 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1314 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1315 NH3BCl3 Amminetrichloroboron nh3bcl3  
1316 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1317 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1318 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1319 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1320 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1321 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1322 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1323 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1324 C4H9F 1-fluorobutane butaf1  
1325 CH3CHFCH2CH3 2-fluorobutane butaf2  
1326 XeF4 Xenon tetrafluoride xef4  
1327 C2H2N2O Furazan furazan  
1328 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1329 NH3BF3 Amminetrifluoroboron nh3bf3  
1330 C6H2 hexatriyne c6h2  
1331 C6H4 Benzyne benzyne  
1332 C6H5- phenyl anion phenyl-  
1333 C6H6 Prismane prismane  
1334 C6H6 1,2,4,5-Hexatetraene ht1245  
1335 C6H6 3,4-Dimethylenecyclobutene cb34m  
1336 C6H6 Benzvalene bv  
1337 C6H6 Dewar Benzene dewar  
1338 C6H6 Hexa-1,5-diene-3-yne hdy153  
1339 C6H6 Trimethylenecycopropane tmcp  
1340 C6H6+ Benzene cation c6h6+  
1341 C6H7+ benzene, protonated c6h7+  
1342 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1343 C6H10 1,5-Hexadiene c592427  
1344 C6H10 cyclohexene cyclohexene  
1345 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1346 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1347 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1348 C6H12 (E)-2-Hexene e2hexene  
1349 C6H12 (E)-hex-3-ene e3hexene  
1350 C6H12 (Z)-hex-2-ene z2hexene  
1351 C6H12 (Z)-hex-3-ene z3hexene  
1352 C6H12 2,3-dimethylbut-1-ene c563780  
1353 C6H12 2,3-dimethyl-but-2-ene tmeet  
1354 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1355 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1356 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1357 C4H2N2 Fumaronitrile c4h2n2  
1358 C2H2N4 sym-tetrazine ttz  
1359 C5H5N E-2,4-pentadienenitrile bdcn  
1360 B3N3H6 borazine borazine  
1361 C5H6N+ Pyridinium c5h6n  
1362 C5H7N Cyclobutanecarbonitrile c4426113  
1363 C6H10 Bicyclo[3.1.0]hexane c285585  
1364 Li2CO3 Lithium Carbonate li2co3  
1365 Na2CO3 Sodium Carbonate na2co3  
1366 C2O4-- oxalate anion c2o4  
1367 MgSO4 Magnesium Sulfate mgso4  
1368 C3H2O3 vinylene carbonate vica  
1369 C2H2O4 Oxalic Acid oxalic  
1370 C4H4O2 2(5H)-Furanone furanone  
1371 C2H4N2S2 Ethanedithioamide c79403  
1372 C2H4CO3 Ethylene carbonate etco3  
1373 C2H4O4 Formic acid dimer fadimer  
1374 C2H5NO3 Nitric acid, ethyl ester c625581  
1375 C5H6O 2H-Pyran pyran2  
1376 C5H6O 2-methylfuran furan2m  
1377 C5H6O 3-Methylfuran furan3m  
1378 C5H6O Pentadienal pdal  
1379 C4H6O2 γ–Butyrolactone c96480  
1380 C4H6O2 2,3-Butanedione c431038  
1381 C4H6O2 Crotonic Acid crot  
1382 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1383 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1384 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1385 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1386 C4H6OS Vinyl sulfoxide c1115157  
1387 C3H6S3 1,3,5-Trithiane c3h6s3  
1388 C4H7NO Ethoxyacetonitrile etoaccn  
1389 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1390 C3H7ONO Propyl nitrite prono  
1391 CH3CH(NH2)COOH Alanine alanine  
1392 CH3NHCH2COOH Sarcosine sarcosine  
1393 NH2CH2CH2COOH β–alanine betaalanine  
1394 C5H8O Cyclopentanone c120923  
1395 C5H8O Methyl cyclopropyl ketone c765435  
1396 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1397 C4H8O2 1,3-Dioxane dioxan13  
1398 C4H8O2 Ethyl acetate c141786  
1399 C5H10O 2-methylbutyraldehyde 2meba  
1400 C5H10O Pentanal pal  
1401 C5H12O 3-Pentanol pentan3ol  
1402 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1403 C4F2 difluorobutadiyne c4f2  
1404 ClCOClCO Oxalyl chloride oxcl  
1405 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1406 C2F4+ Tetrafluoroethylene cation c2f4+  
1407 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1408 CF2CCl2 difluorodichloroethylene cf2ccl2  
1409 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1410 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1411 C2FCl3 fluorotrichloroethene c2fcl3  
1412 C2Br4 tetrabromoethene c2br4  
1413 CF3OF Trifluoromethylhypofluorite cf3of  
1414 SiF5- silicon pentafluoride anion sif5-  
1415 SOF4 Sulfur tetrafluoride oxide sof4  
1416 AsF5 Arsenic pentafluoride asf5  
1417 SF5 Sulfur pentafluoride sf5  
1418 SF5+ pentafluoro sulfur cation sf5+  
1419 SbCl5 Antimony pentachloride sbcl5  
1420 BrF5 bromine pentafluoride brf5  
1421 ClF5 chlorinepentafluoride clf5  
1422 IF5 pentafluoroiodine if5  
1423 CF3CHO trifluoroacetaldehyde cf3cho  
1424 CCl3CHO trichloroacetaldehyde ccl3cho  
1425 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1426 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1427 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1428 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1429 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1430 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1431 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1432 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1433 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1434 CF3COOH trifluoroacetic acid cf3cooh  
1435 C4H3ClO Furan, 2-chloro fur2cl  
1436 C4H3ClO Furan,3-chloro fur3cl  
1437 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1438 C4H8O2 Butanoic acid bua  
1439 C6H5CH2 benzyl radical benzyl  
1440 C7H7 cycloheptatrienyl radical c7h7  
1441 C7H7+ cycloheptatrienyl cation c7h7+  
1442 C6H5CH3 toluene toluene  
1443 C7H8 cycloheptatriene cht  
1444 C7H8 Norbornadiene norbor  
1445 C7H8 Quadricyclane qucy  
1446 C7H12 Norbornane nor  
1447 C7H14 cycloheptane c7h14  
1448 C7H16 2-methylhexane 2mhex  
1449 C7H16 3-methylhexane hex3m  
1450 C7H16 heptane heptane  
1451 CH(CN)3 tricyanomethane mecn3  
1452 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1453 C6H7N 2-Methylpyridine mp  
1454 C6H5NH2 aniline aniline  
1455 C6H13N 2-Methylpiperidine pip2m  
1456 C6H13N cyclohexanamine cham  
1457 C6H15N triethylamine tea  
1458 N2O5 Dinitrogen pentoxide n2o5  
1459 C4H2O3 Maleic Anhydride malan  
1460 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1461 C5H4O2 furfural furfural  
1462 C6H5O phenoxy radical phenoxy  
1463 C5H5NO 2(1H)-Pyridinone c72762006  
1464 C5H5NO 2(3H)-Pyridinone c9000048  
1465 C5H5NO 2(5H)-Pyridinone c9000037  
1466 C5H5NO 2-Pyridinol c109104  
1467 C5H5NO 3(2H)-Pyridinone c9000004  
1468 C5H5NO 3(4H)-Pyridinone c9000026  
1469 C5H5NO 3(6H)-Pyridinone c9000015  
1470 C5H5NO 3-Pyridinol c109002  
1471 C5H5NO 4(1H)-Pryidinone c9000060  
1472 C5H5NO 4(3H)-Pryidinone c9000059  
1473 C5H5NO 4-Pyridinol c626642  
1474 C6H5OH phenol phenol  
1475 C6H6O 2,4-Cyclohexadienone c24599573  
1476 C6H6O 2,5-Cyclohexadienone c5664335  
1477 C6H5SH Benzenethiol phsh  
1478 HO2CCHNH2CH2OH Serine serine  
1479 C5H8O2 Acetylacetone acac  
1480 C4H8O2S Sulfolane sulfolane  
1481 C7H10 Norbornene norbornene  
1482 CH(C2H3)3 trivinyl methane tvm  
1483 C6H10O cyclohexanone chexo  
1484 C6H12O hexanal c6h12o  
1485 C6H12O Oxepane oxepane  
1486 C3H7OC3H7 di-n-propyl ether propr  
1487 F2CCCF2 tetrafluoroallene pfa  
1488 CF3COO- trifluoro acetate anion cf3coo-  
1489 CF3COF trifluoroacetyl fluoride cf3cof  
1490 CF3COCl trifluoroacetyl chloride cf3cocl  
1491 PF6 Hexafluorophosphate neutral pf6  
1492 PF6- Hexafluorophosphate ion pf6-  
1493 SF6 Sulfur Hexafluoride sf6  
1494 SeF6 Selenium hexafluoride sef6  
1495 SF5Cl sulfur chloropentafluoride sf5cl  
1496 CF3CHF2 pentafluoroethane cf3chf2  
1497 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1498 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1499 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1500 CCl3CHCl2 pentachloroethane ccl3chcl2  
1501 C6H5F Fluorobenzene bzf  
1502 C6H5Cl chlorobenzene bzcl  
1503 C6H5Br bromobenzene bzbr  
1504 C8H6 Calicene calicene  
1505 C6H5CCH phenylacetylene phac  
1506 C8H6 benzocyclobutadiene bcbd  
1507 C8H6 Pentalene pentalene  
1508 C6H5CHCH2 Styrene styrene  
1509 C8H8 cubane cubane  
1510 C8H8 cyclooctatetraene cot  
1511 C6H5CH2CH3 Ethylbenzene etbz  
1512 CH3C6H4CH3 meta-xylene mxylene  
1513 CH3C6H4CH3 paraxylene pxylene  
1514 C8H14 Bicyclo[2.2.2]octane bico222  
1515 C8H16 cyclooctane cyclooct  
1516 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1517 C8H18 Octane c8h18  
1518 C6H5CN phenyl cyanide phcn  
1519 C6H12N2 Triethylenediamine ted  
1520 C4O4-- squarate dianion c4o4--  
1521 S4N4 Tetrasulfur tetranitride s4n4  
1522 S8 Octasulfur s8  
1523 C6H4O2 parabenzoquinone pbq  
1524 C4H4N2O2 Uracil uracil  
1525 C6H5CHO benzaldehyde benzal  
1526 C6H5OCH3 Anisole anisole  
1527 C5H9NO2 Proline proline  
1528 C6H12O2 Methyl pivalate c598981  
1529 C6H12O2 Hexanoic acid hexa  
1530 C4F4 tetrafluorcyclobutadiene c4f4  
1531 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1532 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1533 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1534 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1535 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1536 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1537 C2Cl6 hexachloroethane c2cl6  
1538 IF7 Iodine heptafluoride if7  
1539 C6H4F2 metadifluorobenzene mdfb  
1540 C6H4F2 orthodifluorobenzene odfb  
1541 C6H4F2 1,4-difluorobenzene pdfb  
1542 C6H4Cl2 1,2-dichlorobenzene dcb12  
1543 C6H4Cl2 1,3-dichlorobenzene dcb13  
1544 C6H4Cl2 1,4-dichlorobenzene dcb14  
1545 C6H5NO nitrosobenzene bzno  
1546 C9H8 Indene indene  
1547 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1548 C9H12 n-propyl benzene prbz  
1549 C9H20 Nonane nonane  
1550 C(CN)4 tetracyanomethane c5n4  
1551 C5H4N4 purine purine  
1552 C8H7N Indole indole  
1553 C3H3N3O3 cyanuric acid cyanuric  
1554 C6H5NO2 Nitrobenzene c6h5no2  
1555 C6H5COOH benzoic acid benzo  
1556 CH3COC6H5 acetophenone acph  
1557 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1558 C3F6 hexafluoropropene c3f6  
1559 C6H3F3 Benzene trifluoride 123 bzf3a  
1560 C8H18O 1-Octanol octanol  
1561 C10H8 Azulene azu  
1562 C10H8 naphthalene naph  
1563 C10H10 bullvalene bullv  
1564 C10H16 adamantane adamantane  
1565 C6N4 Tetracyanoethylene tcne  
1566 C6N4- tetracyanoethylene anion tcne-  
1567 C10H22 Decane decane  
1568 C4F6 perfluorobutadiene c4f6  
1569 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1570 C3F8 perfluoropropane c3f8  
1571 Fe(CO)5 Iron pentacarbonyl ipc  
1572 Fe(C5H5)2 ferrocene fecp2  
1573 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1574 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1575 C12H8 Acenaphthylene acenaph  
1576 C12H8 biphenylene biph  
1577 C12H10 biphenyl biphenyl  
1578 C12H10 Heptalene heptalene  
1579 C6H12O6 Inositol inositol  
1580 C6F6 hexafluorobenzene c6f6  
1581 S2F10 disulphur decafluoride s2f10  
1582 C13H10 Fluorene fluorene  
1583 C14H10 Anthracene anth  
1584 C14H10 Phenanthrene phenanthrene  
1585 C14H14 Bibenzyl bibenzyl  
1586 C12H10N2 azobenzene azobenzene  
1587 C6H5COC6H5 benzophenone benzophenone  
1588 C16H10 Pyrene pyrene  
1589 C18H12 Tetracene tetracene  
1590 C19H16 Triphenylmethane tpm  
1591 C24H12 Coronene coronene  
1592 C60 Buckminsterfullerene c60