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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 D2 Deuterium diatomic 1ΣgD∞h
4 HD Deuterium hydride 1ΣgD∞h
5 H3+ hydrogen trimer cation 1A1'D3h
6 He Helium atom 1SKh
7 He Helium atom   
8 He- Helium atom anion 2SKh
9 He+ Helium atom cation 2SKh
10 He2+ helium diatomic cation 2ΣuD∞h
11 Li Lithium atom 2SKh
12 Li- Lithium atom anion 1SKh
13 Li+ Lithium atom cation 1SKh
14 Na- Sodium atom anion 1SKh
15 Na+ Sodium atom cation 1SKh
16 K Potassium atom 2SKh
17 K- Potassium atom anion 1SKh
18 K+ Potassium atom cation 1SKh
19 Cu Copper atom 2SKh
20 Cu- Copper atom anion 1SKh
21 Cu+ Copper atom cation 1SKh
22 Be Beryllium atom 1SKh
23 Be- Beryllium atom anion 2PKh
24 Be+ Beryllium atom cation 2SKh
25 Mg Magnesium atom 1SKh
26 Mg- Magnesium atom anion 2PKh
27 Mg+ Magnesium atom cation 2SKh
28 Ca Calcium atom 1SKh
29 Ca- Calcium atom anion 2DKh
30 Ca+ Calcium atom cation 2SKh
31 Zn Zinc atom 1SKh
32 BeH2+ Beryllium dihydride cation 2ΣuD∞h
33 B Boron atom 2PKh
34 B- Boron atom anion 3PKh
35 B+ Boron atom cation 1SKh
36 Al Aluminum atom 2PKh
37 Al- Aluminum atom anion 3PKh
38 Al- Aluminum atom anion 1DKh
39 Al+ Aluminum atom cation 1SKh
40 Sc Scandium atom 2DKh
41 Sc+ Scandium cation 3DKh
42 Ga Gallium atom 2P 
43 Ga- Gallium atom anion 3POh
44 Ga+ Gallium atom cation 1S 
45 GaH Gallium monohydride 1ΣC∞v
46 GaH+ Gallium monohydride cation 2ΣC∞v
47 BH3- boron trihydride anion 2A2"D3h
48 BH3+ boron trihydride cation 2E'D3h
49 BH3+ boron trihydride cation 2B2C2v
50 BH3+ boron trihydride cation  C2v
51 AlH3- aluminum trihydride anion 2A2"D3h
52 AlH3+ aluminum trihydride cation 2ED3h
53 ScH3 Scandium trihydride 1A1'D3h
54 BH4 borohydride 2B2C2v
55 BH4 borohydride 2B2D2d
56 BH4- borohydride anion 1A1Td
57 AlH4- Aluminum tetrahydride anion 1A1Td
58 C Carbon atom 3P0Kh
59 C- Carbon atom anion 4SKh
60 C- Carbon atom anion 2DKh
61 C+ Carbon atom cation 2PKh
62 Si- Silicon atom anion 4SKh
63 Si+ Silicon atom cation 2PKh
64 Ti Titanium atom 3FKh
65 Ge Germanium atom 3PKh
66 Ge- Germanium anion 4SKh
67 Ge+ Germanium cation 2PKh
68 Sn Tin atom   
69 Sn+ Tin cation   
70 SiH Silylidyne 2ΠC∞v
71 GeH germylidene 2ΠC∞v
72 CH2+ methylene cation 2ΠD∞h
73 GeH2 germylene 1A1C2v
74 SiH3 Silyl radical 2A1C3v
75 GeH3 Germyl radical 2A1C3v
76 GeH3+ germyl cation 1A1'D3h
77 CH2D2 methane-d2 1A1C2v
78 CH3D methane-d 1A1C3v
79 CH4- Methane anion 2A1Td
80 CH4- Methane anion 2A1C3v
81 CH4+ Methane cation 2B1C2v
82 CH4+ Methane cation 2T2Td
83 CHD3 methane-d3 1A1C3v
84 SiH4+ Silane cation 2B1C2v
85 SnH4 Stannane   
86 SiH5+ Silane, protonated   
87 N Nitrogen atom 4SKh
88 N- Nitrogen atom anion 3SKh
89 N+ Nitrogen atom cation 3PKh
90 P Phosphorus atom 4SKh
91 P- Phosphorus atom anion 3PKh
92 P+ Phosphorus atom cation 3PKh
93 V Vanadium atom 4FKh
94 V+ Vanadium atom cation 5DKh
95 As Arsenic atomic 4SKh
96 As- Arsenic anion 3PKh
97 As+ Arsenic cation 3PKh
98 Sb Antimony atom   
99 AsH Arsenic monohydride 3ΣC∞v
100 SbH Antimony monohydride   
101 NH2 Amino radical 2B1C2v
102 NH2- amino anion 1A1C2v
103 NH3- Ammonia anion 2A1C3v
104 NH3+ ammonia cation 2A2"D3h
105 AsH3 Arsine 1A1C3v
106 AsH3+ Arsine cation 2A1C3v
107 SbH3 Stibine   
108 AsH4+ Arsonium   
109 NH4 Ammonium radical   
110 NH4+ ammonium cation 1A1Td
111 PH4 Phosphoranyl radical   
112 O Oxygen atom 3SKh
113 O- Oxygen atom anion 2PKh
114 O+ Oxygen atom cation 4SKh
115 S Sulfur atom 3PKh
116 S Sulfur atom   
117 S- Sulfur atom anion 2PKh
118 S+ Sulfur atom cation 4SKh
119 Se Selenium atom 3PKh
120 Se- Selenium atom anion 2PKh
121 Se+ Selenium atom cation 4SKh
122 Te+ Tellurium atom cation   
123 HS+ sulfur monohydride cation 3ΣC∞v
124 HSe Selenium monohydride 2ΠC∞v
125 HSe- selenium monohydride anion 1ΣC∞v
126 HSe+ selenium monohydride cation 3ΣC∞v
127 TeH Telluryl radical   
128 H2O- water anion 2A'Cs
129 HDO Water-d1 1A1C2v
130 H2S- Hydrogen sulfide anion 2B2C2v
131 H2Se Hydrogen selenide 1A1C2v
132 H2Se+ Hydrogen selenide cation 2B1C2v
133 H2Te Hydrogen Telluride   
134 H3O+ hydronium cation 1A1C3v
135 H3S+ Sulfonium cation 1A1C3v
136 H3Se+ Hydrogen Selenide, protonated 1A1C3v
137 F Fluorine atom 2PKh
138 F- Fluorine atom anion 1SKh
139 F+ Fluorine atom cation 3SKh
140 F+ Fluorine atom cation 1DKh
141 Cl Chlorine atom 2PKh
142 Cl- Chlorine atom anion 1SKh
143 Cl+ Chlorine atom cation 3PKh
144 Cl+ Chlorine atom cation 1DKh
145 Br Bromine atom 2PKh
146 Br- Bromine atom anion 1SKh
147 Br+ Bromine atom cation 3PKh
148 DF Hydrofluoric acid-d 1ΣC∞v
149 HF Hydrogen fluoride 1ΣC∞v
150 HF- hydrogen fluoride anion 2ΣC∞v
151 HF+ hydrogen fluoride cation 2ΠC∞v
152 HCl Hydrogen chloride 1ΣC∞v
153 HCl- hydrogen chloride anion 2ΣC∞v
154 HCl+ hydrogen chloride cation 2ΠC∞v
155 HBr hydrogen bromide 1ΣC∞v
156 HBr- hydrogen bromide anion 2ΣC∞v
157 HBr+ hydrogen bromide cation 2ΠC∞v
158 H2F+ dihydrogen fluoride cation 1A1C2v
159 H2Cl+ dihydrogen monochloride cation 1A1C2v
160 H2Br+ protonated hydrogen bromide 2A1C2v
161 Ne Neon atom 1SKh
162 Ne Neon atom   
163 Ne- Neon atom anion 2SKh
164 Ne+ Neon atom cation 2PKh
165 Ar Argon atom 1SKh
166 Ar- Argon atom anion 2SKh
167 Ar+ Argon atom cation 2PKh
168 Kr Krypton atom 1SKh
169 Kr+ Krypton cation 2PKh
170 Xe Xenon atom 1SKh
171 HeLi+ Helium Lithium cation   
172 NeH neon hydrogen 2ΣC∞v
173 ArH+ Argon hydride cation 1ΣC∞v
174 KrH+ Protonated Krypton 1ΣC∞v
175 XeH+ Xenon, protonated 1ΣC∞v
176 H2Ar H2 Ar dimer 1ΣC∞v
177 NaLi lithium sodium 1ΣC∞v
178 Na2 Sodium diatomic 1ΣgD∞h
179 LiAl Lithium Aluminum   
180 AlGa Aluminum Gallium 3ΣC∞v
181 AlGa Aluminum Gallium 1ΣC∞v
182 HBBH Diborane(2) 3ΣGD∞h
183 HBHHBH Diborane(4) C2V 1A1C2v
184 B2H6+ Diborane cation   
185 Ga2H6 digallane 1AGD2h
186 GeC Germanium monocarbide 1ΣC∞v
187 C2H Ethynyl radical 2ΣC∞v
188 C2H Ethynyl radical   
189 C2H+ Ethynyl cation 3ΠC∞v
190 C2H+ Ethynyl cation 1ΣC∞v
191 C2H2+ acetylene cation   
192 HCCH- acetylene anion   
193 Si2H2 disilyne   
194 Si2H2 disilyne   
195 Si2H2 disilyne   
196 Si2H2 disilyne   
197 C2H3+ vinyl cation 1A1C2V bridging H
198 C2H3+ vinyl cation 1A1C2V HCCH2
199 C2H4+ Ethylene cation 2B3uD2h
200 CH2SiH2 silaethylene 1A1C2v
201 Si2H4 Disilene   
202 Si2H4 Disilene   
203 Si2H4 Disilene   
204 C2H5+ Ethyl cation 1A1C2v
205 C2H5+ Ethyl cation 1A'Cs
206 C2H6 Ethane 1A1'D3h
207 LiN Lithium Nitride 3ΣC∞v
208 MgN Magnesium Nitride   
209 GaAs Gallium arsenide 3Π 
210 GaAs Gallium arsenide 1Σ 
211 SiP Silicon monophosphide 2ΠC∞v
212 N2 Nitrogen diatomic   
213 PN Phosphorus mononitride 1ΣC∞v
214 HCN+ hydrogen cyanide cation 2ΠC∞v
215 HCP+ Phosphaethyne cation   
216 LiNH2 lithium amide   
217 HCNH methyleneazane 2A'CS cis
218 H2NN Isodiazene   
219 N2H2 (E)-diazene 1AgC2h
220 CHNH2+ Aminocarbene cation   
221 CH2NH2+ methyleneamine cation 1A1C2v
222 CH3NH2 methyl amine 1A'Cs
223 SiH3NH2 Silane, amino   
224 N2H5+ protonated hydrazine 1A'Cs
225 CH3PH3+ methyl phosphine, protonated 1A1C3v
226 NH3NH3 Ammonia Dimer 1A'Cs
227 N2H7+ ammonia ammonium dimer   
228 LiO+ lithium oxide cation 3ΣC∞v
229 LiS+ Lithium sulfide cation 3ΣC∞v
230 LiSe Lithium monoselenide   
231 BeO+ Beryllium monoxide cation 2ΠC∞v
232 GaO Gallium monoxide 2ΣC∞v
233 GaS Gallium monosulfide   
234 SiO Silicon monoxide 1ΣC∞v
235 SiS silicon monosulfide 1ΣC∞v
236 CSe Carbon monoselenide 1ΣC∞v
237 GeO Germanium monoxide 1ΣC∞v
238 GeSe Germanium monoselenide   
239 PS phosphorus sulfide 2ΣC∞v
240 VO Vanadium monoxide 4Σ- 
241 O2-- dioxygen dianion   
242 SO Sulfur monoxide 3ΣC∞v
243 SeO Selenium monoxide 3ΣC∞v
244 TeO Tellurium monoxide   
245 Se2 Selenium diatomic 3ΣgD∞h
246 Te2 Tellurium diatomic   
247 LiOH lithium hydroxide 1ΣC∞v
248 CaOH Calcium monohydroxide 2Σ+C∞v
249 HBS hydrogen boron sulfide 1ΣC∞v
250 HCO Formyl radical 2A'Cs
251 HCO+ Formyl cation 1ΣC∞v
252 HNO Nitrosyl hydride 1A'Cs
253 HSO+ Sulfur Monoxide, S-protonated   
254 SOH Sulfur Hydroxide   
255 SOH+ Sulfur Monoxide, protonated   
256 H2CO Formaldehyde 1A1C2v
257 H2CO- formaldehyde anion 2A'Cs
258 H2CS Thioformaldehyde 1A1C2v
259 H2CSe Selenoformaldehyde   
260 H2NO nitroxide 2B1C2v
261 H2OO water oxide   
262 H2Se2 hydrogen diselenide   
263 NH2OH hydroxylamine 1A'Cs
264 NH2SH Thiohydroxylamine   
265 H3O2+ hydrogen peroxide, protonated 1A'Cs
266 CH3OH- Methyl alcohol anion 2A'CS eclipsed
267 CH3OH+ Methyl alcohol cation 2A"Cs
268 CH3SH+ Methanethiol cation 2A"Cs
269 SiH3OH silanol   
270 NH2OH2+ protonated hydroxylamine   
271 NH3OH+ N-protonated hydroxylamine   
272 H2OH2O water dimer 1A'Cs
273 CH3OH2+ Methanol, protonated 1A'Cs
274 CH3SH2+ protonated methylsulfide 1A'Cs
275 H5O2+ Dihydroxonium ion 1AC2
276 LiF lithium fluoride 1ΣC∞v
277 LiCl lithium chloride 1ΣC∞v
278 NaF+ sodium fluoride cation 2ΣC∞v
279 LiBr Lithium Bromide 1ΣC∞v
280 LiI Lithium Iodide   
281 NaI Sodium Iodide   
282 LiF+ lithium fluoride cation 2ΠC∞v
283 BF Boron monofluoride 1ΣC∞v
284 AlF Aluminum monofluoride 1Σ+C∞v
285 GaF Gallium monofluoride 1ΣC∞v
286 GaCl Gallium monochloride 1ΣGC∞v
287 AlI Aluminum monoiodide   
288 GaBr Gallium monobromide   
289 CF Fluoromethylidyne 2ΠC∞v
290 SiCl Clorosilylidyne 2ΠC∞v
291 CBr Carbon monobromide 2ΠC∞v
292 GeF Germanium monofluoride 2ΠC∞v
293 GeCl Germanium monochloride 2ΠC∞v
294 GeCl+ Germanium monochloride cation   
295 ClO Monochlorine monoxide 2ΠC∞v
296 ClO+ chlorine monoxide cation 3ΣC∞v
297 SF Monosulfur monofluoride 2ΠC∞v
298 SF+ sulfur monofluoride cation 3ΣC∞v
299 SCl+ sulfur monochloride cation 3ΣgC∞v
300 BrO Bromine monoxide 2ΠC∞v
301 BrO+ Bromine monoxide cation   
302 SBr Sulfur monobromide radical   
303 SBr+ Sulfur monobromide cation   
304 IO Iodine monoxide   
305 SeBr Selenium monobromide   
306 BrCl Bromine monochloride 1ΣC∞v
307 F2 Fluorine diatomic 1ΣgD∞h
308 ClF- clorine monofluoride anion 2ΣC∞v
309 BrF Bromine monofluoride 1ΣC∞v
310 Br2 Bromine diatomic 1ΣgD∞h
311 Br2- bromine diatomic anion 2ΣuD∞h
312 Br2+ bromine diatomic cation 2ΠgD∞h
313 I2+ Iodine diatomic cation 2ΠgD∞v
314 HSiF fluorosilylene   
315 HSiCl Chlorosilylene   
316 HSiBr monobromosilylene   
317 HOF Hypofluorous acid 1A'Cs
318 HOCl hypochlorous acid 1A'Cs
319 HOI Hypoiodous acid   
320 ClFH+ Chlorine fluoride, F-protonated   
321 FClH+ Chlorine fluoride, Cl-protonated   
322 Cl2H+ Chlorine, protonated 1A'Cs
323 CH2Br bromomethyl radical   
324 CH2F+ fluoromethyl cation   
325 CH2Cl+ chloromethyl cation   
326 CH2Cl chloromethyl radical 2A'Cs
327 CH2Cl chloromethyl radical 2B1C2v
328 H2F2 Hydrogen fluoride dimer 1AgCs
329 CH3F+ methyl fluoride cation   
330 CH3F Methyl fluoride 1A1C3v
331 SiH3F monofluorosilane 1A1C3v
332 SiH3Cl chlorosilane 1A1C1
333 CH3Br methyl bromide 1A1C3v
334 GeH3F monofluorogermane   
335 GeH3Cl monochlorogermane   
336 SiH3I Silyl Iodide   
337 NH3Cl+ protonated monochloroammonia   
338 CH3ClH+ methyl chloride, protonated   
339 NH4Cl Ammonium chloride   
340 LiNe+ Lithium Neon cation   
341 Ar2 Argon diatomic 1SgD∞h
342 C3 carbon trimer 1ΣgD∞h
343 C3 carbon trimer 1A1C2v
344 SiC2 Silicon dicarbide   
345 C3H3 cyclopropenyl radical 2A'Cs
346 C3H3+ Propargyl cation 1A1C2v
347 CH2CCH2 allene 1A1D2d
348 CH3CCH propyne 1A'C3v
349 CH3CHCH 1-propenyl radical 2A'Cs
350 Zn(CH3)2 dimethyl zinc 1A1'D3h
351 CH2CHCH3 Propene 1A'Cs
352 C3H7 n-Propyl radical 2A"C1
353 C3H7+ cyclopropane, protonated   
354 CH3CHCH3 Isopropyl radical 2AC2
355 LiCN lithium cyanide 1A'Cs
356 AlCN Aluminum monocyanide   
357 AlNC Aluminum isocyanide   
358 CNN Diazocarbene   
359 HCCN cyanomethylene 3A"Cs
360 HN3 hydrogen azide 1A'Cs
361 HN3+ Hydrazoic acid cation   
362 CH2N2 diazirine 1A1C2v
363 CH2NN diazomethane 1A1C2v
364 NH2CN cyanamide 1A1C2v
365 HNNNH+ 1,2-Triazadienium   
366 NH2NN+ hydrazoic acid, protonated   
367 CH3CN- acetonitrile anion 2EC3v
368 CH3CN- acetonitrile anion 2A'Cs
369 CH3CN+ Acetonitrile cation 2EC3v
370 CH3CN+ Acetonitrile cation 2A"Cs
371 H2CNCH methyleneaminomethylene   
372 HCNCH2+ 2H-Azirine cation   
373 HNCNH2+ diiminomethane, protonated 1A'Cs
374 NCNH3+ Cyanamide, protonated 1A1C3v
375 NH2CNH+ cyanamide, cn protonated   
376 NH3CN+ cyanamide, amine protonated   
377 C2H5NH+ Protonated Aziridine 1A1C2v
378 C2H6N+ aziridine, protonated 1A1C2v
379 CH3CH2NH2 Ethylamine   
380 (CH3)2NH2+ dimethylammonium cation 1A1C2v
381 CH3CH2NH3+ ethylamine, protonated 1A'Cs
382 Na2S Sodium sulfide   
383 LiO2 Lithium dioxide   
384 NaO2 Sodium superoxide   
385 BO2+ Boron dioxide cation 3ΣgD∞h
386 N2O Nitrous oxide 1ΣC∞v
387 CO2- Carbon dioxide anion 2ΠuD∞h
388 SiO2 silicon dioxide 1ΣgD∞h
389 CS2 Carbon disulfide 1ΣgD∞h
390 CS2- Carbon disulfide anion 2A1C2v
391 GeO2 Germanium dioxide 1ΣgD∞h
392 SCTe Carbon sulfide Telluride   
393 NSO sulfinyl amidogen   
394 SO2 Sulfur dioxide 1A1C2v
395 SSO Disulfur monoxide 1A'Cs
396 S3+ Sulfur trimer cation 2B2C2v
397 TeO2 Tellurium Dioxide   
398 HCCO ketenyl radical 2ΠC∞v
399 HCCO ketenyl radical 2A"Cs
400 HCNO fulminic acid 1ΣC∞v
401 HCO2- formate anion 1A1C2v
402 O3H+ protonated ozone 1A'Cs
403 SO2H+ protonated sulfur dioxide 1A'Cs
404 C2H2O Oxirene 1A1C2v
405 CH2CS Thioketene   
406 Be(OH)2 Beryllium hydroxide   
407 Be(OH)2 Beryllium hydroxide   
408 HCOOH Formic acid   
409 H2O3 Hydrogen trioxide 1AC2
410 BH3CO Borane carbonyl 1A1C3v
411 CHONH2 formamide 1A'Planar
412 CH3OO+ methylperoxy cation 1A'Cs
413 C2H4O Ethylene oxide 1A1C2v
414 H2CONH2+ protonated formamide 1A'Cs
415 NH2CHOH+ Formamide, O-protonated   
416 CH3SSH Hydrogen methyl disulfide   
417 HSCH2SH Methanedithiol   
418 C2H4OH+ ethylene oxide, protonated 1A'Cs
419 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
420 CH3CH2SH ethanethiol 1A'Cs
421 CH3CH2SH ethanethiol 1AC1
422 CH3SCH3 Dimethyl sulfide 1A1C2v
423 CH3SCH3+ dimethyl sulfide cation   
424 CH3OHH2O methanol water dimer 1A'C1
425 CuF2 Copper difluoride 2ΠgD∞h
426 BrCN Cyanogen bromide 1ΣC∞v
427 ICN Cyanogen iodide 1ΣC∞v
428 FBO Boron monofluoride monoxide   
429 BeBr2 Beryllium bromide   
430 CaBr2 Calcium dibromide   
431 FNO Nitrosyl fluoride 1A'Cs
432 ClNO Nitrosyl chloride 1A'Cs
433 FSN Thiazyl fluoride 1A'Cs
434 CF2 Difluoromethylene 1A1D∞h
435 SiF2 Silicon difluoride 1A1C2v
436 GeCl2 Germanium dichloride 1A1C2v
437 FOO+ Fluorine dioxide cation   
438 OClO Chlorine dioxide 2B1D∞h
439 BrOO Bromine dioxide   
440 PF2 Phosphorus difluoride   
441 PF2+ Phosphorus difluoride cation   
442 SF2 sulfur difluoride 1A1C2v
443 SF2- sulfur difluoride anion 2ΠD∞h
444 Cl2O Dichlorine monoxide 1A1C2v
445 SeF2 Selenium difluoride   
446 SeCl2 Selenium Dichloride   
447 SBr2 Sulfur dibromide   
448 SeBr2 Selenium dibromide   
449 F3- trifluoride anion 1ΣgD∞h
450 F3- trifluoride anion 1ΣC∞v
451 Cl3- trichloride anion 1ΣgD∞h
452 Br3- tribromide anion   
453 I3- triiodide   
454 HCCF Fluoroacetylene 1ΣC∞v
455 CHF2 difluoromethyl radical 2ACs
456 CHF2+ difluoromethyl cation   
457 CHFCl Chlorofluoromethyl radical   
458 CHFCl+ Chlorofluoromethyl cation   
459 CHCl2+ dichloromethyl cation   
460 CHBr2 dibromomethyl radical   
461 CH2F2 Methane, difluoro- 1A1C2v
462 SiH2F2 difluorosilane   
463 CH2Cl2 Methylene chloride 1A1C2v
464 CH2BrCl Methane, bromochloro- 1A'Cs
465 CH2FI fluoroiodomethane   
466 CH2Br2 dibromomethane 1A1C2v
467 CH2ClI chloroiodomethane   
468 CH2I2 Diiodomethane   
469 SiH2Cl2 dichlorosilane 1A1C2v
470 CH3MgBr Methyl Magnesium Bromide   
471 CH2CHF Ethene, fluoro- 1A'Cs
472 CH2CHF+ fluoroethene cation 2A"Cs
473 C2H3I Vinyl iodide   
474 CH2FOH fluoromethanol   
475 CH2CH2Cl 2-chloroethyl radical 2A'Cs
476 C2H5Br Ethyl bromide 1A'Cs
477 C2H5I Ethyl iodide   
478 XeF2 Xenon difluoride   
479 C4 Carbon tetramer 3ΣgD∞h
480 C4 Carbon tetramer   
481 C4+ Carbon tetramer cation 2ΠgD∞h
482 C4H2+ diacetlyene cation   
483 C4H4 Tetrahedrane   
484 C4H6 1-Methylcyclopropene 1AC1
485 C(CH3)3 Tert-butyl radical 2A"C3v
486 CH3CH2CH2CH3 Butane 1AGauche
487 As4 Arsenic tetramer 1A1Td
488 HCCCN+ Cyanoacetylene cation 2ΠC∞v
489 H2CNCN cyanamide, methylene   
490 HNCCNH Ethenediimine   
491 C3H3N+ acrylonitrile cation 2A"Cs
492 NH2CCNH2 Diaminoacetylene 1A1D2d
493 CH3NHN2+ methyl azide, protonated 1AC1
494 C2H5CN ethyl cyanide 1A'Cs
495 CH3NNCH3 (Z)-1,2-Dimethyldiazene 1A1C2v
496 H2NCHCHNH2 diaminoethylene   
497 CH6N3+ guanidinium 1A1'D3h
498 CH6N3+ guanidinium 1A1D3
499 N(SiH3)3 trisilylamine   
500 (CH3)3NH+ protonated trimethyl amine   
501 C3H7NH3+ n-propylamine, protonated 1A'Cs
502 Na2O2 disodium dioxide   
503 K2O2 dipotassium dioxide   
504 ONNO NO dimer 1Agtrans C2H
505 CS3-- Carbonotrithioate   
506 NO3+ nitrogen trioxide cation 1A1'D3h
507 SO3 Sulfur trioxide 1A1'D3h
508 SO3- Sulfur trioxide anion 2A2"planar
509 SO3-- Sulfate dianion   
510 SO3+ Sulfur trioxide cation 2A2'D3h
511 S4 Sulfur tetramer   
512 S4 Sulfur tetramer   
513 S4 Sulfur tetramer   
514 TeO3 Tellurium trioxide   
515 HNO3 Nitric acid 1A'Cs
516 C3H2O Propadienal   
517 C3H2O Propadienal   
518 C2H2O2 Ethanedial 1AgC2h
519 C2H2O2+ Ethanedial cation 2AGC2h
520 H2CO3 Carbonic acid   
521 H2NO3+ Nitric Acid, Protonated 1A1C2v
522 H2SO3 Sulfurous acid 1A'Cs
523 CH3NCO methylisocyante   
524 CH3COO- acetate anion 1A'eclipsed
525 CH3NO2 Methane, nitro- 1A'Cs
526 NH2COOH Carbamic acid 1A'Cs
527 H3CO3+ carbonic acid, protonated 1A'C3h
528 C3H4O 2-Propyn-1-ol 1A'Cs
529 C3H4O allenol 1A'Cs
530 CH2CHCHO Acrolein 1A'Cs
531 CH2CHCHO Acrolein   
532 NH2CONH2 Urea 1A'Cs
533 NH2CONH2 Urea 1A1C2v
534 NH2CONH2+ Urea cation 2A2C2
535 CH3COOH Acetic acid 1A'Cs
536 CH3OCHO methyl formate 1A'Cs
537 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
538 NH2COOH2+ Carbamic acid, O-protonated 1AC1
539 NH3COOH+ protonated Carbamic acid 1A'Cs
540 CH2C(OH)NH2 1-amino vinyl alchohol   
541 CH3C(OH)=NH Ethaninidic acid   
542 CH3CSNH2 Ethanethioamide   
543 CH5N2O+ urea, N-protonated 1A'Cs
544 H2NCOHNH2+ urea, protonated 1A'Cs
545 C2H5OO ethylperoxy radical 2A'Cs
546 C3H6O Acetone enol 1A'Cs
547 CH3CH2CHO Propanal 1A'Cs
548 CH3COCH3 Acetone 1A1C2v
549 CH3COCH3- acetone anion 2A'Cs
550 CH3CSCH3 Thioacetone 1A1C2v
551 C2H6O2 1,2-Ethanediol 1AgC2h
552 CH3OOCH3 dimethylperoxide 1AgC2h
553 C3H7OH 1-Propanol   
554 Li2F2 Lithium fluoride dimer   
555 C2Cl2 dichloroacetylene 1ΣgC2h
556 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
557 CF2O Carbonic difluoride 1A1C2v
558 CF2O+ Carbonic difluoride cation   
559 BF3+ boron trifluoride cation   
560 BClF2 Chlorodifluoroborane   
561 BCl3+ Boron Trichloride cation   
562 GaF3 Gallium trifluoride 1A1'D3h
563 GaCl3 Gallium trichloride 1A1'D3h
564 ClO3- chlorate anion 1A1C3v
565 CF3+ Trifluoromethyl cation 1A1'D3h
566 CF2Cl difluorochloromethyl radical   
567 SiF3+ Silicon trifluoride cation 1A1'D3h
568 CFCl2 dichlorofluoromethyl radical   
569 CBr3 tribromomethyl radical   
570 NF3 Nitrogen trifluoride 1A1C3v
571 NF3- Nitrogen trifluoride anion 2A1C3v
572 SbF3 Antimony Trifluoride   
573 SbCl3 Antimony Trichloride   
574 NBr3 Nitrogen Tribromide 1A1C3v
575 NI3 Nitrogen triiodide   
576 PI3 Phosphorus triiodide   
577 IF3 iodone trifluoride   
578 HClO3 Chloric Acid 1A'Cs
579 HClO3 Chloric Acid 1AC1
580 CHF3 Methane, trifluoro- 1A1C3v
581 SiHF3 trifluorosilane   
582 CHBrCl2 Methane, bromodichloro- 1A'Cs
583 CHF2I difluoroiodomethane   
584 CHBr2F dibromofluoromethane   
585 CHFClI fluorochloroiodomethane   
586 NF3H+ protonated nitrogen trifluoride 1A1C3v
587 AsF3H+ Arsenic trifluoride, protonated   
588 C2H4F2 1,2-difluoroethane 1AgC2H anti
589 C2H4F2 1,2-difluoroethane 1AC2 gauche
590 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
591 CH2BrCH2Cl 1-bromo-2-chloroethane   
592 CH2BrCH2Cl 1-bromo-2-chloroethane   
593 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
594 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
595 CH2CHCH2F Allyl Fluoride   
596 CH2CHCH2F Allyl Fluoride   
597 CH3CHCHF trans-1-Fluoro-1-propene   
598 C3H5Cl 1-chloro-1-propene(E) 1A'Cs
599 C3H5Cl 1-chloro-1-propene(Z) 1A'Cs
600 CH2FCH2OH 2-fluoroethanol   
601 CH2ClCH2OH 2-Chloroethanol 1A'Cs
602 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
603 CH2FCH2CH3 1-Fluoropropane   
604 B5H9 pentaborane9   
605 C5H5 cyclopentadienyl radical 2B1C2v
606 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
607 C5H8 Bicyclo[1.1.1]pentane   
608 C5H10 Cyclopentane 1AC1
609 N2O3 Dinitrogen trioxide 1A'Cs
610 C4H5N Pyrrole 1A1C2v
611 C4H6N+ pyrrole, alpha-protonated 1A'Cs
612 C4H6N+ pyrrole, beta-protonated 1A'Cs
613 C4H6N+ pyrrole, protonated 1A1C2v
614 NC4H12+ tetramethyl ammonium cation 1A1Td
615 B2O3 diboron trioxide   
616 B2O3 diboron trioxide   
617 PO4--- phosphate 1A1Td
618 SO4-- sulfate 1A1Td
619 HSO4- bisulfate anion 1A'Cs
620 CHOOCHO diformyl ether   
621 C3H3NO Isoxazole 1A'Cs
622 C3H3NS Thiazole   
623 H3PO4 Phosphoric Acid 1AC3
624 C3H4O2 Methyl glyoxal 1A'Cs
625 C2H4O3 trioxolane124 1AC2
626 CH3SO2NH2 methanesulfonamide 1A'Cs
627 C3H6O2 1,3-Dioxolane 1AC2
628 CH3CH2COOH Propanoic Acid 1A'Cs
629 CH3COOCH3 methyl acetate 1A'Cs
630 HCOOC2H5 Ethyl formate 1A'Cs
631 C2H6O2S Dimethyl sulfone 1A1C2v
632 CH3SSSCH3 dimethyl trisulfide 1AC2
633 C3H7NO dimethylformamide 1A'CS methyls geared
634 CH3COCH2CH3 2-Butanone 1A'Cs
635 C4H8S Thiophene, tetrahydro- 1AC1
636 C3H8O2 Methane, dimethoxy- 1A1C2v
637 C4H10O Methyl propyl ether 1AC1
638 C4H9SH 1-Butanethiol   
639 ClO4- perchlorate anion 1A1Td
640 BF4- tetrafluoroboron anion 1A1Td
641 CF3Cl Methane, chlorotrifluoro- 1A1C3v
642 CF2Cl2 difluorodichloromethane 1A1C2v
643 CF3Br Bromotrifluoromethane 1A1C3v
644 GeF4 Germanium tetrafluoride 1A1Td
645 CBr2ClF dibromochlorofluoromethane   
646 CCl3I trichloroiodomethane   
647 CFClBrI fluorochlorobromoiodomethane   
648 CF2I2 difluorodiiodomethane   
649 CBr4 Carbon tetrabromide 1A1Td
650 CCl2I2 dichlorodiiodomethane   
651 CI4 tetraiodomethane   
652 SiI4 silicon tetraiodide   
653 SF4 Sulfur tetrafluoride 1A1C2v
654 SeF4 Selenium tetrafluoride   
655 SCl4 Sulfur tetrachloride   
656 HClO4 perchloric acid 1ACs
657 CHCl2CHO dichloroacetaldehyde   
658 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
659 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
660 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
661 CH2FCH2CH2F 1,3-difluoropropane   
662 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
663 CH2ClCHCHCH3 2-Butene, 1-chloro- 1A'Cs
664 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- 1A'Cs
665 C2H2N2O Furazan   
666 C6H6 Dewar Benzene   
667 C6H7+ benzene, protonated 1A1C2v
668 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
669 C6H10 3-Hexyne 1A1C2v
670 C6H10 Cyclopentene, 1-methyl- 1AC1
671 C6H12 (E)-2-Hexene 1A'Cs
672 C6H12 (E)-2-Hexene 1A'Cs
673 C6H12 (E)-hex-3-ene 1AGCi
674 C6H12 2,3-dimethylbut-1-ene 1A'C2
675 C2H4N4 1H-Tetrazole, 1-methyl- 1A'Cs
676 C5H6N+ Pyridinium 1A1C2v
677 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
678 Na2CO3 Sodium Carbonate 1A1C2v
679 C2O4-- oxalate anion 1AgD2h
680 C2O4-- oxalate anion 1A1D2d
681 N2O4 Dinitrogen tetroxide 1AgD2d
682 C3H2O3 vinylene carbonate   
683 C2H3NO3 Oxamic acid 1A'H out
684 C5H6O 2-methylfuran 1A'Cs
685 C4H6O2 γ–Butyrolactone 1AC1
686 C4H6O2 2,3-Butanedione 1AgC2h
687 C4H6O2 2,3-Butanedione 1AgCi
688 C4H6O2 2-Propenoic acid, methyl ester 1AC1
689 CH6N4S Carbonothioic dihydrazide 1AC2
690 C3H6O3 1,3,5-Trioxane 1A1C1
691 C5H8O Furan, 2,3-dihydro-5-methyl- 1AC1
692 C4H8O2 Ethyl acetate 1A'Cs
693 C4H9NO Propanamide, 2-methyl- 1AC1
694 C5H10O 2-Pentanone 1A'Cs
695 C5H10O 3-Pentanone 1A1C2v
696 C5H10S 3-Ethylthio-1-propene 1A'C1
697 C4H10O2 1,1-Dimethoxyethane 1A'Cs
698 C4H10O2 1,4-Butanediol   
699 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
700 C4F2 difluorobutadiyne   
701 ClCOClCO Oxalyl chloride 1AGC2h
702 B2Cl4 Diboron tetrachloride 1A1D2
703 C2ClF3 Ethene, chlorotrifluoro-   
704 C2Cl4 Tetrachloroethylene 1AgD2h
705 C2Br4 tetrabromoethene   
706 SiF5- silicon pentafluoride anion   
707 PF5 Phosphorus pentafluoride 1A1'D3h
708 BrF5 bromine pentafluoride 1A1C4v
709 IF5 pentafluoroiodine   
710 CH2ClCCl3 1,1,1,2-tetrachloroethane   
711 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
712 CF3COOH trifluoroacetic acid 1A'Cs
713 C4H3ClO Furan,3-chloro 1A'Cs
714 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
715 C7H7 cycloheptatrienyl radical 2A2C2v
716 C7H7+ cycloheptatrienyl cation 1A1'D7h
717 C6H5CH3 toluene 1A'Cs
718 C7H16 3-methylhexane   
719 CH(CN)3 tricyanomethane   
720 HN=C=C(CN)2 Dicyanoketenimine   
721 C6H7N 2-Methylpyridine 1A'Cs
722 N2O5 Dinitrogen pentoxide 1A'Cs
723 C5H4O2 4-Cyclopentene-1,3-dione 1A1C2v
724 C5H8O2 Acetylacetone   
725 C6H12O Oxepane   
726 CF3COO- trifluoro acetate anion 1A'Cs
727 PF6 Hexafluorophosphate neutral 2B2C2v
728 SF6 Sulfur Hexafluoride 1A1GOh
729 C8H16 cyclooctane 1A1D4d
730 (CH3)3CC(CH3)3 tetramethylbutane 1A1D3d
731 C6H5CHO benzaldehyde 1A'Cs
732 C6H12O2 Hexanoic acid 1A1Cs
733 C2Cl6 hexachloroethane 1A1gD3d
734 C6H4F2 1,4-difluorobenzene 1AgD2h
735 C6H5NO nitrosobenzene 1A'Cs
736 CH3COC6H5 acetophenone 1AC1
737 C3F6 hexafluoropropene   
738 C10H8 Azulene 1A1C2v
739 C10H10 bullvalene   
740 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1A'Cs
741 Fe(C5H5)2 ferrocene 1A1'D5h
742 S2F10 disulphur decafluoride   
743 C14H14 Bibenzyl 1AC2
744 C12H10N2 azobenzene 1AGC2h
745 C6H5COC6H5 benzophenone 1AC2

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 H2 Hydrogen diatomic h2  
6 HeH+ Helium hydride cation heh+  
7 Na Sodium atom na  
8 Zn- Zinc atom anion zn-  
9 Zn+ Zinc atom cation zn+  
10 Si Silicon atom si  
11 Ti- Titanium atom anion ti-  
12 Ti+ Titanium atom cation ti+  
13 CH Methylidyne ch  
14 CH+ Methylidyne cation ch+  
15 CH2 Methylene ch2  
16 CH4 Methane ch4  
17 Cr Chromium atom cr  
18 Te Tellurium atom te  
19 OH Hydroxyl radical oh  
20 Mn Manganese atom mn  
21 I Iodine atom iodine  
22 I- Iodine atom anion iodine-  
23 I+ Iodine atom cation iodine+  
24 HI Hydrogen iodide hi  
25 HI+ Hydrogen iodide cation hi+  
26 H2I+ Iodonium h2i+  
27 Fe Iron atom fe  
28 NeH+ neon hydrogen cation neh+  
29 Co Cobalt atom cobalt  
30 Ni Nickel atom ni  
31 Li2 Lithium diatomic li2  
32 LiBe Lithium Beryllium libe  
33 C2H2 Acetylene c2h2  
34 CCH2 vinylidene vinylidene  
35 C2H4 Ethylene c2h4  
36 C2H5 Ethyl radical c2h5  
37 C2H6+ ethane cation c2h6+  
38 C2H7+ Ethane, protonated c2h7+  
39 PN+ phosphorus nitride cation pn+  
40 SbN Antimony nitride sbn  
41 PO- phosphorus monoxide anion po-  
42 HNS Sulfur imide hns  
43 H2ONH3 Water Ammonia Dimer h2onh3  
44 KI Potassium Iodide ki  
45 ZnF+ Zinc monofluoride cation znf+  
46 SbF Antimony monofluoride sbf  
47 SbCl Antimony monochloride sbcl  
48 IF Iodine monofluoride if  
49 ICl Iodine monochloride icl  
50 IBr Iodine monobromide ibr  
51 I2 Iodine diatomic i2  
52 CHBr bromomethylene chbr  
53 FHF Hydrogen difluoride fhf  
54 CH3Cl+ Methyl chloride cation ch3cl+  
55 CH3I methyl iodide ch3i  
56 C3H3- Propargyl anion c3h3-  
57 CuCN Copper cyanide cucn  
58 N3- azide anion n3-  
59 HCNN diazomethyl radical hcnn  
60 NH2BHNH2 diaminoborane nh2bhnh2  
61 NH2CH2NH3+ diaminoethane, protonated pdam  
62 Li2O+ dilithium oxide cation li2o+  
63 SCN- thiocyanide anion scn-  
64 CS2H+ Carbon disulfide, protonated cs2h+  
65 HNNO nitrosoazane hnno  
66 Mg(OH)2 Magnesium dihydroxide h2mgo2  
67 NH3CHO+ Formamide, N-Protonated nh3cho+  
68 BrNO Nitrosyl bromide brno  
69 ClS2 Sulfur chloride cls2  
70 BrOCl Bromine hypochlorite brocl  
71 BrOBr Bromine oxide brobr  
72 COHCl Formyl chloride cohcl  
73 CH2BrI bromoiodomethane ch2bri  
74 CH3SiFH2 fluoromethylsilane ch3sifh2  
75 B(CH3)3 trimethylborane bme3  
76 C3H7N Azetidine azet  
77 Li2O2 dilithium dioxide li2o2  
78 CO3-- carbonate co3--  
79 HCO3- bicarbonate anion hco3-  
80 C2H2CO cyclopropenone c2h2co  
81 HCCCHO 2-propynal hcccho  
82 H2CS3 thiocarbonic acid h2cs3  
83 C2H3NO Nitrosoethylene c2h3no  
84 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
85 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
86 HCOOHH2O Formic acid water dimer hcoohh2o  
87 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
88 CH3SOCH3 Dimethyl sulfoxide dmso  
89 CH3COHCH3+ acetone, protonated acetoneh+  
90 H2OCH3OCH3 water dimethylether dimer h2och3och3  
91 Na2F2 Sodium Fluoride Dimer na2f2  
92 COFCl Carbonic chloride fluoride cofcl  
93 COBr2 Carbonic dibromide cobr2  
94 AlBr3 Aluminum Bromide albr3  
95 ClO3 Chlorine trioxide clo3  
96 BrO3- Bromate anion bro3-  
97 FOOF Perfluoroperoxide foof  
98 AsBr3 Arsenic tribromide asbr3  
99 CHBrF2 Methane, bromodifluoro- chbrf2  
100 CHCl2I dichloroiodomethane chcl2i  
101 CHI3 Iodoform chi3  
102 C2H2Br2 1,1-dibromoethene c2h2br2  
103 CH2FCHO Fluoroacetaldehyde ch2fcho  
104 CH2CFCH3 2-fluoropropene 2fpro  
105 C3H9O+ trimethyl oxonium cation c3h9o+  
106 C5H8 1,3-Pentadiene, (Z)- c1574410  
107 CH3CCCH2CH3 2-Pentyne 2pentyne  
108 C2H3N3 1H-1,2,4-Triazole c288880  
109 C3H4N2 2H-Imidazole imid2h  
110 C4H5N 2H-pyrrole pyrrole2  
111 C4H5N 3H-pyrrole pyrrole3  
112 CH2CHCH2CN Allylcyanide ch2chch2cn  
113 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
114 C3H2O2 Propiolic acid c3h2o2  
115 CHOCOOH oxo acetic acid oaa  
116 CH3C(O)OO acetyl peroxy radical ch3coo2  
117 C4H8O Furan, tetrahydro- thf  
118 C4H10O+ 1-Butanol cation butanol1+  
119 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
120 CCl4+ Carbon tetrachloride cation ccl4+  
121 CF3I trifluoroiodomethane cf3i  
122 CBrCl3 Methane, bromotrichloro- cbrcl3  
123 CBr2F2 Methane, dibromodifluoro- cbr2f2  
124 CBr3I tribromoiododmethane cbr3i  
125 GeBr4 Germanium tetrabromide gebr4  
126 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
127 CHClCCHCl 1,3-dichloroallene chclcchcl  
128 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
129 NH3BCl3 Amminetrichloroboron nh3bcl3  
130 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
131 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
132 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
133 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
134 C4H9F 1-fluorobutane butaf1  
135 CH3CHFCH2CH3 2-fluorobutane butaf2  
136 XeF4 Xenon tetrafluoride xef4  
137 C6H6 3,4-Dimethylenecyclobutene cb34m  
138 C6H6+ Benzene cation c6h6+  
139 C6H8 1,3-Cyclohexadiene cyhexadiene13  
140 C6H12 2,3-dimethyl-but-2-ene tmeet  
141 C6H14 Butane, 2,2-dimethyl- buta22  
142 C5H5N E-2,4-pentadienenitrile bdcn  
143 C6H10 Bicyclo[3.1.0]hexane c285585  
144 Li2CO3 Lithium Carbonate li2co3  
145 C4H4O2 2(5H)-Furanone furanone  
146 C2H4O4 Formic acid dimer fadimer  
147 C4H6O2 Crotonic Acid crot  
148 C2H6N2O2 (E)-Azodioxymethane c37765154  
149 CH3CH(NH2)COOH Alanine alanine  
150 C5H12S 2-Butanethiol, 2-methyl- c1679090  
151 C2FCl3 fluorotrichloroethene c2fcl3  
152 SbCl5 Antimony pentachloride sbcl5  
153 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
154 C7H8 cycloheptatriene cht  
155 C7H8 Quadricyclane qucy  
156 C6H13N 2-Methylpiperidine pip2m  
157 C6H13N cyclohexanamine cham  
158 C5H5NO 2(1H)-Pyridinone c72762006  
159 C6H5SH Benzenethiol phsh  
160 HO2CCHNH2CH2OH Serine serine  
161 C4H8O2S Sulfolane sulfolane  
162 CH(C2H3)3 trivinyl methane tvm  
163 C6H12O hexanal c6h12o  
164 CF3COCl trifluoroacetyl chloride cf3cocl  
165 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
166 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
167 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
168 CCl3CHCl2 pentachloroethane ccl3chcl2  
169 C6H5CH2CH3 Ethylbenzene etbz  
170 CH3C6H4CH3 paraxylene pxylene  
171 C6H5CN phenyl cyanide phcn  
172 C4O4-- squarate dianion c4o4--  
173 C4H4N2O2 Uracil uracil  
174 C6H12O2 Methyl pivalate c598981  
175 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
176 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
177 IF7 Iodine heptafluoride if7  
178 C6H4F2 metadifluorobenzene mdfb  
179 C6H4F2 orthodifluorobenzene odfb  
180 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
181 C6H3F3 Benzene trifluoride 123 bzf3a  
182 C8H18O 1-Octanol octanol  
183 C4F6 perfluorobutadiene c4f6  
184 Fe(CO)5 Iron pentacarbonyl ipc  
185 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
186 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
187 C12H8 Acenaphthylene acenaph  
188 C13H10 Fluorene fluorene  
189 C14H10 Phenanthrene phenanthrene  
190 C16H10 Pyrene pyrene  
191 C18H12 Tetracene tetracene  
192 C19H16 Triphenylmethane tpm  
193 C24H12 Coronene coronene