III.F.1. (I.A.4.)

List of which calculations are completed at ROHF /3-21G

count	Species	Name	State	Conformation
1	D	Deuterium atom	¹S	K_h
2	H	Hydrogen atom	¹S	K_h
3	H^-	Hydrogen atom anion	²S	K_h
4	H⁺	Hydrogen atom cation		K_h
5	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
6	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
7	He	Helium atom
8	He^-	Helium atom anion	²S	K_h
9	He⁺	Helium atom cation	²S	K_h
10	HeH⁺	Helium hydride cation	¹Σ	C_∞v
11	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
12	Li	Lithium atom	²S	K_h
13	Li⁺	Lithium atom cation	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	Na^-	Sodium atom anion	¹S	K_h
16	K	Potassium atom	²S	K_h
17	K^-	Potassium atom anion	¹S	K_h
18	K⁺	Potassium atom cation	¹S	K_h
19	Cu	Copper atom	²S	K_h
20	Cu^-	Copper atom anion	¹S	K_h
21	Cu⁺	Copper atom cation	¹S	K_h
22	LiH⁺	lithium hydride cation	²Σ	C_∞v
23	NaH⁺	sodium hydride cation	²Σ	C_∞v
24	KH	Potassium hydride	¹Σ	C_∞v
25	KH⁺	Potassium hydrogen cation	²Σ	C_∞v
26	CuH	Copper monohydride	¹Σ	C_∞v
27	Be⁺	Beryllium atom cation	²S	K_h
28	Mg^-	Magnesium atom anion	²P	K_h
29	Mg⁺	Magnesium atom cation	²S	K_h
30	Ca^-	Calcium atom anion	²D	K_h
31	Ca⁺	Calcium atom cation	²S	K_h
32	BeH	beryllium monohydride	²Σ	C_∞v
33	MgH	magnesium monohydride	²Σ	C_∞v
34	CaH	Calcium monohydride	²Σ	C_∞v
35	TiH	Titanium monohydride	⁴Φ	C_∞v
36	ZnH	Zinc monohydride	²Σ	C_∞v
37	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
38	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
39	BeH₂⁺	Beryllium dihydride cation
40	B	Boron atom	²P	K_h
41	B	Boron atom	⁴P	K_h
42	B⁺	Boron atom cation	¹S	K_h
43	Al	Aluminum atom	²P	K_h
44	Al^-	Aluminum atom anion	³P	K_h
45	Al⁺	Aluminum atom cation	¹S	K_h
46	Sc	Scandium atom	²D	K_h
47	Sc⁺	Scandium cation	³D	K_h
48	Ga	Gallium atom	²P
49	Ga^-	Gallium atom anion	³P	O_h
50	Ga⁺	Gallium atom cation	¹S
51	BH	Boron monohydride	³Π	C_∞v
52	BH^-	boron monohydride anion	⁴Σ	C_∞v
53	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
54	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
55	BH₂	boron dihydride	²A₁	C_2v
56	BH₂^-	boron dihydride anion	³B₁	C_2v
57	AlH₂	aluminum dihydride	²A₁	C_2v
58	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
59	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
60	BH₃⁺	boron trihydride cation	²E^'	D_3h
61	BH₃⁺	boron trihydride cation	²B₂	C_2v
62	BH₃⁺	boron trihydride cation		C_2v
63	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
64	AlH₃^-	aluminum trihydride anion		C_3v
65	AlH₃⁺	aluminum trihydride cation	²E	D_3h
66	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
67	BH₄	borohydride	²B₂	C_2v
68	BH₄^-	borohydride anion	¹A₁	T_d
69	C	Carbon atom	³P₀	K_h
70	C^-	Carbon atom anion	²D	K_h
71	C⁺	Carbon atom cation	²P	K_h
72	Si	Silicon atom	³P	K_h
73	Si^-	Silicon atom anion	⁴S	K_h
74	Si⁺	Silicon atom cation	²P	K_h
75	Ge	Germanium atom	³P	K_h
76	Ge^-	Germanium anion	⁴S	K_h
77	Ge⁺	Germanium cation	²P	K_h
78	Sn	Tin atom
79	Sn⁺	Tin cation
80	CH	Methylidyne	²Π_1/2	C_∞v
81	SiH	Silylidyne	²Π	C_∞v
82	SiH^-	silicon monohydride anion	³Σ	C_∞v
83	GeH	germylidene	²Π	C_∞v
84	CH₂	Methylene	³B₁	C_2v
85	CH₂	Methylene	³Σ_G	D_∞h
86	CH₂^-	methylene anion	²B₁	C_2v
87	CH₂⁺	methylene cation	²A₁	C_2v
88	CH₂⁺	methylene cation	²Π	D_∞h
89	SiH₂	silicon dihydride	³B₁	C_2v
90	SiH₂^-	silicon dihydride anion	²B₁	C_2v
91	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
92	GeH₂	germylene	¹A₁	C_2v
93	GeH₂^-	germylene anion	²B₁	C_2v
94	CH₃	Methyl radical	²A₁	D_3h
95	CH₃^-	methyl anion	¹A₁	C_3v
96	CH₃⁺	methyl cation	¹A₁^'	D_3h
97	SiH₃	Silyl radical	²A₁	C_3v
98	SiH₃^-	Silyl anion	¹A₁	C_3v
99	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
100	GeH₃	Germyl radical	²A₁	C_3v
101	GeH₃⁺	germyl cation	¹A₁^'	D_3h
102	N	Nitrogen atom	⁴S	K_h
103	N^-	Nitrogen atom anion	³S	K_h
104	N⁺	Nitrogen atom cation	³P	K_h
105	P	Phosphorus atom	⁴S	K_h
106	P^-	Phosphorus atom anion	³P	K_h
107	P⁺	Phosphorus atom cation	³P	K_h
108	V	Vanadium atom	⁴F	K_h
109	V⁺	Vanadium atom cation	⁵D	K_h
110	As	Arsenic atomic	⁴S	K_h
111	As^-	Arsenic anion	³P	K_h
112	As⁺	Arsenic cation	³P	K_h
113	Sb	Antimony atom
114	NH	Imidogen	³Σ^-	C_∞v
115	PH	phosphorus monohydride	³Σ^-	C_∞v
116	AsH	Arsenic monohydride	³Σ	C_∞v
117	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
118	SbH	Antimony monohydride
119	ND₂	Amidogen-d2	²B₁	C_2v
120	NH₂	Amino radical	²B₁	C_2v
121	NH₂⁺	Amino cation	³B₁	C_2v
122	PH₂	Phosphino radical	²B₁	C_2v
123	PH₂^-	Phosphino anion	¹A₁	C_2v
124	PH₂⁺	Phosphino cation	¹A₁	C_2v
125	AsH₂	Arsenic dihydride	²A₁	C_2v
126	NH₃^-	Ammonia anion	²A₁	C_3v
127	NH₃⁺	ammonia cation	²A₂^"	D_3h
128	PH₃⁺	Phosphine cation	²A₁	C_3v
129	AsH₃⁺	Arsine cation	²A₁	C_3v
130	NH₄	Ammonium radical
131	PH₄	Phosphoranyl radical
132	O	Oxygen atom	³S	K_h
133	O^-	Oxygen atom anion	²P	K_h
134	O⁺	Oxygen atom cation	⁴S	K_h
135	S	Sulfur atom	³P	K_h
136	S^-	Sulfur atom anion	²P	K_h
137	S⁺	Sulfur atom cation	⁴S	K_h
138	Se	Selenium atom	³P	K_h
139	Se^-	Selenium atom anion	²P	K_h
140	Se⁺	Selenium atom cation	⁴S	K_h
141	Te	Tellurium atom
142	Te⁺	Tellurium atom cation
143	DO	Hydroxyl-d	²Π	C_∞v
144	OH	Hydroxyl radical	²Π	C_∞v
145	OH⁺	hydoxyl cation	³Σ	C_∞v
146	DS	Mercapto-d	²Π	C_∞v
147	HS	Mercapto radical	²Π	C_∞v
148	HS^-	mercapto anion	¹Σ	C_∞v
149	HS⁺	sulfur monohydride cation	³Σ	C_∞v
150	CrH	Chromium hydride	⁶Σ	C_∞v
151	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
152	HSe	Selenium monohydride	²Π	C_∞v
153	HSe⁺	selenium monohydride cation	³Σ	C_∞v
154	TeH	Telluryl radical
155	H₂O^-	water anion	²A₁	C_2v
156	H₂O^-	water anion	²A^'	C_s
157	H₂O⁺	water cation	²B₁	C_2v
158	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
159	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
160	H₂Se	Hydrogen selenide	¹A₁	C_2v
161	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
162	H₃S⁺	Sulfonium cation	¹A₁	C_3v
163	F	Fluorine atom	²P	K_h
164	F^-	Fluorine atom anion	¹S	K_h
165	F⁺	Fluorine atom cation	³S	K_h
166	F⁺	Fluorine atom cation	¹D	K_h
167	Cl	Chlorine atom	²P	K_h
168	Cl^-	Chlorine atom anion	¹S	K_h
169	Cl⁺	Chlorine atom cation	³P	K_h
170	Cl⁺	Chlorine atom cation	¹D	K_h
171	Br	Bromine atom	²P	K_h
172	Br^-	Bromine atom anion	¹S	K_h
173	Br⁺	Bromine atom cation	³P	K_h
174	I	Iodine atom	²P	K_h
175	I^-	Iodine atom anion	¹S	K_h
176	I⁺	Iodine atom cation	³P	K_h
177	HF^-	hydrogen fluoride anion	²Σ	C_∞v
178	HF⁺	hydrogen fluoride cation	²Π	C_∞v
179	HCl^-	hydrogen chloride anion	²Σ	C_∞v
180	HCl⁺	hydrogen chloride cation	²Π	C_∞v
181	HBr	hydrogen bromide	¹Σ	C_∞v
182	HBr^-	hydrogen bromide anion	²Σ	C_∞v
183	HBr⁺	hydrogen bromide cation	²Π	C_∞v
184	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
185	Ne	Neon atom
186	Ne^-	Neon atom anion	²S	K_h
187	Ne⁺	Neon atom cation	²P	K_h
188	Ar^-	Argon atom anion	²S	K_h
189	Ar⁺	Argon atom cation	²P	K_h
190	Kr⁺	Krypton cation	²P	K_h
191	NeH	neon hydrogen	²Σ	C_∞v
192	ArH⁺	Argon hydride cation	¹Σ	C_∞v
193	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
194	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
195	NaK⁺	Sodium Potassium diatomic cation		1
196	LiBe	Lithium Beryllium	²Σ	C_∞v
197	LiMg	Lithium magnesium	²Σ	C_∞v
198	NaBe	Sodium Beryllium	²Σ	C_∞v
199	NaMg	Sodium Magnesium	²Σ	C_∞v
200	Be₂	Beryllium diatomic	³Π_g	D_∞h
201	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
202	LiB	Lithium boride	³Π	C_∞v
203	BeB	Beryllium monoboride	²Π	C_∞v
204	B₂	Boron diatomic	³Σ_g	D_∞h
205	B₂	Boron diatomic	⁵Σ_u	D_∞h
206	B₂⁺	Boron diatomic cation	²Π	D_∞h
207	BAl	Boron Aluminum	³Σ	C_∞v
208	BGa	Boron Gallium	³Σ	C_∞v
209	AlGa	Aluminum Gallium	³Σ	C_∞v
210	Ga₂	Gallium diatomic	³P_iu
211	HBBH	Diborane(2)	³Σ_G	D_∞h
212	B₂H₆⁺	Diborane cation
213	LiC	Lithium Carbide	⁴Σ	C_∞v
214	BeC	Beryllium Carbide	³Σ^-	C_∞v
215	BeC	Beryllium Carbide
216	CaC	Calcium monocarbide
217	BC	boron monocarbide	⁴Σ^-	C_∞v
218	BC^-	boron monocarbide anion	³Π_u	C_∞v
219	AlC	Aluminum carbide	⁴Σ	C_∞v
220	BSi	Boron silicide	⁴Σ	C_∞v
221	BSi	Boron silicide	²Σ	C_∞v
222	C₂	Carbon diatomic	³Π_u	D_∞h
223	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
224	SiC	silicon monocarbide	³Σ	C_∞v
225	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
226	SiC⁺	silicon monocarbide cation	²Π	C_∞v
227	Si₂	Silicon diatomic	³Σ_g	D_∞h
228	GeC	Germanium monocarbide	¹Σ	C_∞v
229	SiGe	Silicon Germanium
230	Ge₂	Germanium diatomic	³Σ_g	D_∞h
231	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
232	C₂H	Ethynyl radical	²Σ	C_∞v
233	ZnCH₂	Zinc methylene	³B₁	C_2v
234	ZnCH₂	Zinc methylene	¹A^'	C_s
235	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
236	C₂H₂⁺	acetylene cation
237	CCH₂	vinylidene	¹A₁	C_2v
238	CCH₂	vinylidene	³B₂	C_2v
239	H₂CC^-	vinylidene anion
240	HCCH^-	acetylene anion
241	HCCH^-	acetylene anion
242	CH₃Li	methyl lithium	¹A₁	C_3v
243	ZnCH₃	Zinc monomethyl	²A₁	C_3v
244	C₂H₃	vinyl	²A^'	C_s
245	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
246	C₂H₄^-	Ethylene anion	²B_2g	D_2h
247	C₂H₄^-	Ethylene anion	²A_g	C_2h
248	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
249	C₂H₄⁺	Ethylene cation	²B₃	D₂
250	CH₃CH	methylmethylene	³A^"	C_s
251	C₂H₅	Ethyl radical	²A^'	C_s
252	C₂H₆⁺	ethane cation	²B_g	C_2h
253	C₂H₆⁺	ethane cation	²A_g	C_i
254	LiN	Lithium Nitride	³Σ	C_∞v
255	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
256	LiP	Lithium monophosphide
257	BeN	Beryllium mononitride	⁴Σ	C_∞v
258	BeN	Beryllium mononitride	²Π	C_∞v
259	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
260	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
261	MgN	Magnesium Nitride
262	MgN	Magnesium Nitride
263	BP	Boron monophosphide	³Π	C_∞v
264	AlP	Aluminum monophosphide	³Σ	C_∞v
265	AlP	Aluminum monophosphide	³Π	C_∞v
266	GaN	Gallium mononitride	³Π	C_∞v
267	GaP	Gallium monophosphide	³Σ	C_∞v
268	GaAs	Gallium arsenide	³Π
269	GaAs	Gallium arsenide	¹Σ
270	BN	boron nitride	³Π	C_∞v
271	AlN	Aluminum nitride	³Π_i	C_∞v
272	CN	Cyano radical	²Σ	C_∞v
273	CP	Carbon monophosphide	²Σ	C_∞v
274	SiN	Silicon nitride	²Σ	C_∞v
275	SiP	Silicon monophosphide	²Π	C_∞v
276	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
277	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
278	N₂	Nitrogen diatomic
279	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
280	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
281	HNB	hydrogen nitrogen boron	²Σ	C_∞v
282	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
283	HNC⁺	hydrogen isocyanide cation
284	HCP⁺	Phosphaethyne cation
285	NNH	Dinitrogen monohydride	²A^'	C_s
286	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
287	CNH₂	Aminomethylidyne radical	²B₂	C_2v
288	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
289	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
290	HCNH	methyleneazane	²A^'	CS cis
291	HCNH	methyleneazane	²A^'	CS trans
292	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
293	CH₂NH⁺	Methanimine cation
294	CHNH₂⁺	Aminocarbene cation
295	N₂H₄⁺	hydrazine cation	²A_G	C_2h
296	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
297	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
298	LiO	lithium oxide	²Σ	C_∞v
299	LiO^-	lithium oxide anion	¹Σ	C_∞v
300	LiO^-	lithium oxide anion	³Σ	C_∞v
301	LiO⁺	lithium oxide cation	³Σ	C_∞v
302	LiS	Lithium monosulfide	²Π	C_∞v
303	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
304	NaO	sodium monoxide	²Σ	C_∞v
305	KO	Potassium monoxide	²Σ	C_∞v
306	KO⁺	Potassium monoxide cation	³Σ	C_∞v
307	NaS	Sodium sulfide	²Π	C_∞v
308	CuO	Copper Monoxide	²Π	C_∞v
309	LiSe	Lithium monoselenide
310	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
311	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
312	BO	boron monoxide	²Σ	C_∞v
313	BO^-	boron monoxide anion	¹Σ	C_∞v
314	AlO	Aluminum monoxide	²Σ	C_∞v
315	BS	boron sulfide	²Σ	C_∞v
316	AlS	Aluminum sulfide	²Σ	C_∞v
317	ScO	Scandium monoxide	²Σ	C_∞v
318	GaO	Gallium monoxide	²Σ	C_∞v
319	GaS	Gallium monosulfide
320	CO	Carbon monoxide	³Π	C_∞v
321	CO^-	carbon monoxide anion	²Π	C_∞v
322	CO⁺	carbon monoxide cation	²Σ	C_∞v
323	TiO	Titanium monoxide	³Δ	C_∞v
324	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
325	SiSe⁺	Silicon Monoselenide cation
326	NO	Nitric oxide	²Π	C_∞v
327	NO^-	nitric oxide anion	³Σ	C_∞v
328	NS	Mononitrogen monosulfide	²Π	C_∞v
329	NS^-	nitrogen sulfide anion	³Σ	C_∞v
330	PO	Phosphorus monoxide	²Π	C_∞v
331	PS	phosphorus sulfide	²Σ	C_∞v
332	VO	Vanadium monoxide	⁴Σ^-
333	AsO	Arsenic monoxide	²Π	C_∞v
334	NSe	Nitrogen monoselenide	²Π	C_∞v
335	AsS	Arsenic monosulfide	²Π	C_∞v
336	PSe	Phosphorus monoselenide	²Π	C_∞v
337	AsSe	Arsenic monoselenide	²Π	C_∞v
338	O₂	Oxygen diatomic	³Σ_g	D_∞h
339	O₂^-	oxygen diatomic anion	²Π	D_∞h
340	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
341	SO	Sulfur monoxide	³Σ	C_∞v
342	SO	Sulfur monoxide	¹Σ	C_∞v
343	SO⁺	sulfur monoxide cation	²Π	C_∞v
344	S₂	Sulfur diatomic	³Σ_g	D_∞h
345	SeO	Selenium monoxide	³Σ	C_∞v
346	TeO	Tellurium monoxide
347	Se₂	Selenium diatomic	³Σ_g	D_∞h
348	Te₂	Tellurium diatomic
349	BeOH	beryllium monohydroxide	²A^'	C_s
350	BeOH	beryllium monohydroxide	²Σ	C_∞v
351	MgOH	magnesium hydroxide	²A^'	C_s
352	COH	Hydroxymethylidyne
353	HCO	Formyl radical	²A^'	C_s
354	HCO^-	formyl anion	¹A^'	C_s
355	HCO⁺	Formyl cation	¹Σ	C_∞v
356	HCS	Thioformyl radical	²A^'	C_s
357	HCS⁺	Thioformyl cation	¹Σ	C_∞v
358	HNO	Nitrosyl hydride	¹A^'	C_s
359	HNO^-	Nitrosyl hydride anion	²A^"	C_s
360	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
361	NOH	Hydroxyimidogen	³A^"	C_s
362	NOH⁺	O-protonated nitric oxide	²A^'	C_s
363	HNS^-	Sulfur imide anion	²A	C_s
364	HO₂	Hydroperoxy radical	²A^"	C_s
365	HO₂^-	Hydroperoxy anion	¹A^'	C_s
366	HO₂⁺	Hydroperoxy cation	³A^"	C_s
367	HO₂⁺	Hydroperoxy cation	³Σ	C_∞v
368	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
369	SOH	Sulfur Hydroxide
370	SOH⁺	Sulfur Monoxide, protonated
371	HS₂	Thiosulfeno radical	²A^"	C_s
372	H₂CO^-	formaldehyde anion	²A^'	C_s
373	H₂CO^-	formaldehyde anion
374	H₂CO⁺	formaldehyde cation	²B₂	C_2v
375	H₂CS^-	thioformaldehyde anion
376	H₂CS^-	thioformaldehyde anion
377	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
378	H₂NO	nitroxide	²B₁	C_2v
379	H₂NO	nitroxide	²A^'	C_s
380	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
381	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
382	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
383	CH₂OH	Hydroxymethyl radical	²A	C₁
384	CH₃O	Methoxy radical	²A^'	C₁
385	CH₃O⁺	Methoxy cation	³A₁	C_3v
386	CH₃S	thiomethoxy	²A^'	C_3v
387	NH₂OH⁺	Hydroxylamine cation
388	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
389	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
390	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
391	CH₃OH⁺	Methyl alcohol cation	²A	C₁
392	CH₃SH⁺	Methanethiol cation	²A^"	C_s
393	NH₂OH₂⁺	protonated hydroxylamine
394	NH₃OH⁺	N-protonated hydroxylamine
395	NaF⁺	sodium fluoride cation	²Σ	C_∞v
396	LiF^-	lithium fluoride anion	²Σ	C_∞v
397	LiF⁺	lithium fluoride cation	²Π	C_∞v
398	BeF	Beryllium monofluoride	²Σ	C_∞v
399	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
400	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
401	BeCl	beryllium monochloride	²Σ	C_∞v
402	MgF	Magnesium monofluoride	²Σ	C_∞v
403	MgCl	magnesium monochloride	²Σ	C_∞v
404	CaCl	calcium monochloride	²Σ	C_∞v
405	TiCl	Titanium Monochloride	⁴Σ	C_∞v
406	ZnF	Zinc monofluoride	²Σ	C_∞v
407	ZnCl	Zinc monochloride	²Σ	C_∞v
408	CaBr	Calcium monobromide
409	GaF	Gallium monofluoride	¹Σ	C_∞v
410	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
411	GaCl	Gallium monochloride	¹Σ_G	C_∞v
412	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
413	CF	Fluoromethylidyne	²Π	C_∞v
414	CF^-	carbon monofluoride anion	³Σ	C_∞v
415	CCl	carbon monochloride	²Π	C_∞v
416	SiF	silicon monofluoride	²Π	C_∞v
417	SiF^-	silicon monofluoride anion	³Σ	C_∞v
418	SiCl	Clorosilylidyne	²Π	C_∞v
419	CBr	Carbon monobromide	²Π	C_∞v
420	GeF	Germanium monofluoride	²Π	C_∞v
421	GeCl	Germanium monochloride	²Π	C_∞v
422	SiBr	Silicon monobromide	²Π	C_∞v
423	SiBr⁺	Silicon monobromide cation
424	NF	nitrogen fluoride	³Σ	C_∞v
425	NCl	nitrogen monochloride	³Σ	C_∞v
426	NCl^-	nitrogen monochloride anion	²Π	C_∞v
427	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
428	AsF	Arsenic monofluoride	³Σ	C_∞v
429	NBr	nitrogen monobromide	³Σ^-	C_∞v
430	AsCl	Arsenic monochloride	³Σ	C_∞v
431	PBr	Phosphorus monobromide
432	FO	Oxygen monofluoride	²Π	C_∞v
433	ClO	Monochlorine monoxide	²Π	C_∞v
434	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
435	SF	Monosulfur monofluoride	²Π	C_∞v
436	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
437	SCl	sulfur monochloride	²Π	C_∞v
438	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
439	BrO	Bromine monoxide	²Π	C_∞v
440	BrO⁺	Bromine monoxide cation
441	SeF	Selenium monofluoride	²Π	C_∞v
442	SBr	Sulfur monobromide radical
443	SBr⁺	Sulfur monobromide cation
444	SeCl	Selenium monochloride	²Π	C_∞v
445	IO	Iodine monoxide
446	SeBr	Selenium monobromide
447	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
448	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
449	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
450	ClF⁺	clorine monofluoride cation	²Π	C_∞v
451	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
452	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
453	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
454	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
455	I₂⁺	Iodine diatomic cation	²Π_g	D_∞v
456	HCF	Fluoromethylene	³A^"	C_s
457	HCCl	Chloromethylene	³A^"	C_s
458	CHBr	bromomethylene	³A^"	C_s
459	HOCl⁺	hypochlorous acid cation
460	HOBr⁺	Hypobromous acid cation	²A^"	C_s
461	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
462	CH₂Br	bromomethyl radical	²A^'	C_s
463	CH₂Br	bromomethyl radical
464	CH₂F	fluoromethyl radical	²A	C_s
465	CH₂Cl	chloromethyl radical	²A^'	C_s
466	CH₂Cl	chloromethyl radical	²B₁	C_2v
467	CH₃F⁺	methyl fluoride cation
468	CH₃Cl⁺	Methyl chloride cation
469	CH₃Br	methyl bromide	¹A₁	C_3v
470	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
471	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
472	Li₃	Lithium trimer	²B₂	C_2v
473	C₃	carbon trimer	¹A₁	C_2v
474	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
475	C₃H₃	cyclopropenyl radical	²A^'	C_s
476	C₃H₃^-	Propargyl anion	¹A^'	C_s
477	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
478	C₃H₅	Allyl radical	²A₂	C_2v
479	C₃H₅	Allyl radical	²A^"	C_s
480	CH₃CHCH	1-propenyl radical	²A^'	C_s
481	C₃H₇	n-Propyl radical	²A^"	C₁
482	CH₃CHCH₃	Isopropyl radical	²A	C₂
483	LiCN	lithium cyanide	¹Σ	C*V LiCN
484	ZnCN	Zinc monocyanide	²Σ	C_∞v
485	ZnNC	Zinc isocyanide	²Σ	C_∞v
486	CNN	Diazocarbene
487	NCN	Cyanoimidogen	³Σ_g	D_∞h
488	N₃	azide radical	²Π_g	D_∞h
489	N₃⁺	azide cation	³Σ_g	D_∞h
490	N₃⁺	azide cation	³Σ	C_∞v
491	HCCN	cyanomethylene	³A^"	C_s
492	HCCN	cyanomethylene	³Σ	C_∞v
493	HCCN	cyanomethylene
494	HN₃	hydrogen azide	¹A^'	C_s
495	HN₃⁺	Hydrazoic acid cation
496	CH₃CN^-	acetonitrile anion	²E	C_3v
497	CH₃CN^-	acetonitrile anion	²A^'	C_s
498	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
499	HCNCH₂⁺	2H-Azirine cation
500	CH₂CHNH	vinylazine	²A^"	CS cis
501	CH₂CHNH	vinylazine	²A^"	CS trans
502	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
503	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
504	LiO₂	Lithium dioxide
505	NaO₂	Sodium superoxide
506	CCO	Dicarbon monoxide	³Σ	C_∞v
507	NCO	isocyanato radical	²Π	C_∞v
508	SCN	thiocyanato radical	²Π	C_∞v
509	BO₂	Boron dioxide	²A^'	D_∞h
510	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
511	N₂O^-	Nitrous oxide anion	²A^'	C_s
512	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
513	CO₂^-	Carbon dioxide anion	²A₁	C_2v
514	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
515	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
516	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
517	CS₂^-	Carbon disulfide anion	²A₁	C_2v
518	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
519	NO₂	Nitrogen dioxide	²A₁	C_2v
520	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
521	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
522	NSO	sulfinyl amidogen
523	PO₂	Phosphorus dioxide	²A₁	C_2v
524	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
525	SNO	Nitrogen oxide sulfide
526	AsO₂	Aresenic dioxide	²A₁	C_2v
527	O₃^-	Ozone anion	²B₁	C_2v
528	O₃⁺	Ozone cation	²A₁	C_2v
529	SO₂	Sulfur dioxide	¹A₁	C_2v
530	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
531	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
532	S₃^-	Sulfur trimer anion	²B₁	C_2v
533	S₃⁺	Sulfur trimer cation	²B₂	C_2v
534	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
535	HCCO	ketenyl radical	²Π	C_∞v
536	HCCO	ketenyl radical	²A^"	C_s
537	HCOO	formate neutral radical	²A^'	C_s
538	HOCO	Hydrocarboxyl radical	¹A^'	cis
539	HOCO	Hydrocarboxyl radical	¹A^'	trans
540	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
541	HNO₂⁺	nitrous acid cation	²A^'	C_s
542	CH₂CO⁺	Ketene cation	²B₁	C_2v
543	CH₂CHO	Vinyloxy radical	²A^"	C_s
544	CH₃CO	Acetyl radical	²A^'	C_s
545	CH₂OOH	CH2OOH radical	²A	C₁
546	CH₃OO	methylperoxy radical	²A^"	C_s
547	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
548	C₂H₄O⁺	ethylene oxide cation
549	CH₃CHO⁺	acetaldehyde cation
550	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
551	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
552	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
553	CH₃CH₂O	Ethoxy radical	²A^'	C_s
554	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
555	CH₃OCH₂	methoxymethyl radical	²A	C₁
556	CH₃CH₂SH	ethanethiol	¹A^'	C_s
557	CH₃SCH₃⁺	dimethyl sulfide cation
558	CuF₂	Copper difluoride	²Π_g	D_∞h
559	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
560	ICN	Cyanogen iodide	¹Σ	C_∞v
561	FCO	Carbonyl fluoride	²A^'	C_s
562	ClCO	carbonyl monochloride	²Σ	C_∞v
563	BF₂	Boron difluoride radical	²A₁	C_2v
564	BrNO	Nitrosyl bromide	¹A^'	C_s
565	CF₂	Difluoromethylene	³B₁	C_2v
566	CF₂^-	Difluoromethylene anion	²B₁	C_2v
567	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
568	SiF₂	Silicon difluoride	¹A₁	C_2v
569	SiF₂	Silicon difluoride	³B₁	C_2v
570	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
571	CCl₂^-	dichloromethylene anion	²B₁	C_2v
572	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
573	CBr₂	dibromomethylene	³B₁	C_2v
574	FOO	Dioxygen monofluoride radical	²A^"	C_s
575	FOO⁺	Fluorine dioxide cation
576	ClOO	chloroperoxy radical	²A^"	C_s
577	ClOO⁺	chloroperoxy cation	¹A^'	C_s
578	OClO	Chlorine dioxide	²B₁	D_∞h
579	OClO^-	Chlorine dioxide anion	¹A^'	C_s
580	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
581	ClSO	Sulfur chloride oxide	²A^"	C_s
582	ClS₂	Sulfur chloride	²A^"	C_s
583	BrOO	Bromine dioxide
584	OBrO	Bromine dioxide radical	²B₁	C_2v
585	NF₂	Difluoroamino radical	²B₁	C_2v
586	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
587	PF₂	Phosphorus difluoride
588	SF₂^-	sulfur difluoride anion	²A^'	C_s
589	SF₂^-	sulfur difluoride anion	²Π	D_∞h
590	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
591	BrOCl	Bromine hypochlorite	¹A^'	C_s
592	BrOBr	Bromine oxide	¹A₁	C_2v
593	I₃^-	triiodide
594	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
595	HFCO⁺	formyl fluoride cation	²A^'	C_s
596	COHCl	Formyl chloride	¹A^'	C_s
597	COHBr	Formyl bromide	¹A^'	C_s
598	CHCl₂	dichloromethyl radical	²B₁	C_2v
599	CHCl₂	dichloromethyl radical	²A^'	C_s
600	CHF₂	difluoromethyl radical	²A	C_s
601	CHFCl	Chlorofluoromethyl radical
602	CHBr₂	dibromomethyl radical
603	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
604	CH₃OCl	methyl hypochlorite	¹A^'	C_s
605	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
606	CHClCH₃	1-chloroethyl radical	²A	C₁
607	C₄	Carbon tetramer	³Σ_g	D_∞h
608	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
609	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
610	C(CH₃)₃	Tert-butyl radical	²A^"	C_3v
611	CH₂CH(CH₃)₂	Isobutyl radical	²A^'	C₁
612	CH₃CHCH₂CH₃	2-Butyl radical	¹A	C₁
613	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
614	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
615	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
616	NH₂CCNH₂	Diaminoacetylene	¹A₁	D_2d
617	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
618	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
619	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
620	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
621	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
622	HSO₃	Hydroxysulfonyl radical	²A	C₁
623	C₂H₂O₂	Ethanedial	¹A_g	C_2h
624	CH₃COCH₂	Acetonyl radical	²A^"	C_s
625	C₂H₅OO	ethylperoxy radical	²A^'	C_s
626	CH₃COCH₃^-	acetone anion	²A^'	C_s
627	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
628	BrONO	Bromine nitrite	¹A^'	CS trans
629	CF₂O⁺	Carbonic difluoride cation
630	COFCl	Carbonic chloride fluoride	¹A^'	C_s
631	COBr₂	Carbonic dibromide	¹A₁	C_2v
632	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
633	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
634	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
635	BF₃⁺	boron trifluoride cation	²B₂	C_2v
636	BF₃⁺	boron trifluoride cation
637	BCl₃⁺	Boron Trichloride cation
638	CF₃	Trifluoromethyl radical	²A₁	C_3v
639	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
640	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
641	CF₂Cl	difluorochloromethyl radical
642	SiF₃	Silicon trifluoride radical	²A₁	C_3v
643	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
644	CFCl₂	dichlorofluoromethyl radical
645	CCl₃	Trichloromethyl radical	²A₁	C₃
646	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
647	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
648	CBr₃	tribromomethyl radical
649	NF₃	Nitrogen trifluoride	¹A₁	C_3v
650	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
651	NF₃^-	Nitrogen trifluoride anion	²A	C_s
652	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
653	SF₃	Sulfur trifluoride	²A^'	C_s
654	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
655	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
656	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
657	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
658	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
659	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
660	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
661	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
662	C₅H₇	cyclopentenyl radical	²A₂	C_2v
663	C₅H₁₁	2-Methylbut-2-yl radical	¹A	C₁
664	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
665	C₄H₄N	pyrrolide radical	²A₂	C_2v
666	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
667	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
668	CBr₄	Carbon tetrabromide	¹A₁	T_d
669	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
670	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
671	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
672	XeF₄	Xenon tetrafluoride
673	C₆H₅	phenyl	²A₁	C_2v
674	SF₅	Sulfur pentafluoride	²A₁	C_4v
675	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
676	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
677	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
678	C₆H₅CH₂	benzyl radical	²B₁	C_s
679	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
680	C₆H₁₃N	cyclohexanamine	¹A	C₁
681	C₆H₅O	phenoxy radical	²B₁	C_2v
682	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
683	C₆H₁₂O₂	Methyl pivalate	¹A	C₁
684	C₆H₁₂O₂	Hexanoic acid	¹A₁	C_s
685	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
686	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h

Species NOT done yet

count	Species	Name	file name
1	D^-	Deuterium atom anion	d-
2	D⁺	Deuterium atom cation	d+
3	D₂	Deuterium diatomic	d2
4	H₂	Hydrogen diatomic	h2
5	HD	Deuterium hydride	hd
6	H₃⁺	hydrogen trimer cation	h3+
7	He	Helium atom	he
8	HeH	Helium hydride	heh
9	Li^-	Lithium atom anion	li-
10	Na⁺	Sodium atom cation	na+
11	LiH	Lithium Hydride	lih
12	LiH^-	lithium hydride anion	lih-
13	NaH	sodium hydride	nah
14	NaH^-	sodium hydride anion	nah-
15	Be	Beryllium atom	be
16	Be^-	Beryllium atom anion	be-
17	Mg	Magnesium atom	mg
18	Ca	Calcium atom	ca
19	Zn	Zinc atom	zn
20	Zn^-	Zinc atom anion	zn-
21	Zn⁺	Zinc atom cation	zn+
22	BeH^-	berylium monohydride anion	beh-
23	BeH⁺	beryllium monohydride cation	beh+
24	MgH^-	magnesium monohydride anion	mgh-
25	MgH⁺	magnesium monohydride cation	mgh+
26	CaH⁺	Calcium monohydride cation	cah+
27	ZnH⁺	Zinc, protonated	znh+
28	BeH₂	beryllium dihydride	beh2
29	MgH₂	magnesium dihydride	mgh2
30	CaH₂	Calcium Hydride	cah2
31	ZnH₂	Zinc hydride	znh2
32	B^-	Boron atom anion	b-
33	BH	Boron monohydride	bh
34	BH^-	boron monohydride anion	bh-
35	BH⁺	boron monohydride cation	bh+
36	AlH	aluminum monohydride	alh
37	AlH^-	aluminum monohydride anion	alh-
38	AlH⁺	aluminum monohydride cation	alh+
39	ScH	Scandium monohydride	sch
40	GaH	Gallium monohydride	gah
41	BH₂⁺	Boron dihydride cation	bh2+
42	BH₃	boron trihydride	bh3
43	BH₃^-	boron trihydride anion	bh3-
44	AlH₃	aluminum trihydride	alh3
45	ScH₃	Scandium trihydride	sch3
46	GaH₃	Gallium trihydride	gah3
47	AlH₄^-	Aluminum tetrahydride anion	alh4-
48	C^-	Carbon atom anion	c-
49	Ti	Titanium atom	ti
50	Ti^-	Titanium atom anion	ti-
51	Ti⁺	Titanium atom cation	ti+
52	CH^-	methylidyne anion	ch-
53	CH⁺	Methylidyne cation	ch+
54	SiH⁺	silicon monohydride cation	sih+
55	GeH⁺	Germaniun monohyrdide cation	geh+
56	SiH₂	silicon dihydride	sih2
57	CD₄	methane-d4	cd4
58	CH₂D₂	methane-d2	ch2d2
59	CH₃D	methane-d	ch3d
60	CH₄	Methane	ch4
61	CH₄^-	Methane anion	ch4-
62	CH₄⁺	Methane cation	ch4+
63	CHD₃	methane-d3	chd3
64	SiH₂D₂	silane-d2	sih2d2
65	SiH₄	Silane	sih4
66	SiH₄⁺	Silane cation	sih4+
67	GeH₄	Germane	geh4
68	SnH₄	Stannane	snh4
69	SiH₅⁺	Silane, protonated	sih5+
70	NH^-	Imidogen anion	nh-
71	NH⁺	imidogen cation	nh+
72	PH^-	phosphorus monohydride anion	ph-
73	PH⁺	phosphorus monohydride cation	ph+
74	NH₂^-	amino anion	nh2-
75	AsH₂⁺	Arsenic dihydride cation	ash2+
76	ND₃	Ammonia-d3	nd3
77	NH₃	Ammonia	nh3
78	PH₃	Phosphine	ph3
79	AsH₃	Arsine	ash3
80	SbH₃	Stibine	sbh3
81	AsH₄⁺	Arsonium	ash4+
82	NH₄⁺	ammonium cation	nh4+
83	PH₄⁺	phosphonium cation	ph4+
84	Cr	Chromium atom	cr
85	OH^-	hydroxide anion	oh-
86	HSe^-	selenium monohydride anion	hse-
87	D₂O	Deuterium oxide	d2o
88	H₂O	Water	h2o
89	HDO	Water-d1	hdo
90	D₂S	Hydrogen sulfide-d2	d2s
91	H₂S	Hydrogen sulfide	h2s
92	H₂Te	Hydrogen Telluride	h2te
93	H₃O⁺	hydronium cation	h3o+
94	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
95	Mn	Manganese atom	mn
96	DF	Hydrofluoric acid-d	df
97	HF	Hydrogen fluoride	hf
98	DCl	Hydrochloric acid-d	dcl
99	HCl	Hydrogen chloride	hcl
100	HI	Hydrogen iodide	hi
101	HI⁺	Hydrogen iodide cation	hi+
102	H₂F⁺	dihydrogen fluoride cation	h2f+
103	H₂Br⁺	protonated hydrogen bromide	h2br+
104	H₂I⁺	Iodonium	h2i+
105	Ne	Neon atom	ne
106	Ar	Argon atom	ar
107	Fe	Iron atom	fe
108	Kr	Krypton atom	kr
109	Xe	Xenon atom	xe
110	HeLi⁺	Helium Lithium cation	heli+
111	NeH⁺	neon hydrogen cation	neh+
112	KrH⁺	Protonated Krypton	krh+
113	XeH⁺	Xenon, protonated	xeh+
114	H₂Ar	H2 Ar dimer	h2ar
115	Co	Cobalt atom	cobalt
116	Ni	Nickel atom	ni
117	Li₂	Lithium diatomic	li2
118	Li₂^-	lithium diatomic anion	li2-
119	Li₂⁺	lithium diatomic cation	li2+
120	NaLi	lithium sodium	lina
121	NaLi^-	lithium sodium anion	lina-
122	NaLi⁺	lithium sodium cation	lina+
123	LiK	Lithium Potassium	lik
124	Na₂	Sodium diatomic	na2
125	NaK	Sodium Potassium	nak
126	K₂	Potassium diatomic	k2
127	Cu₂	Copper diatomic	cu2
128	Be₂	Beryllium diatomic	be2
129	Be₂⁺	Beryllium diatomic cation	be2+
130	BeMg	Beryllium Magnesium	bemg
131	Mg₂	Magnesium diatomic	mg2
132	Mg₂^-	magnesium diatomic anion	mg2-
133	Mg₂⁺	magnesium diatomic cation	mg2+
134	Ca₂	Calcium diatomic	ca2
135	LiAl	Lithium Aluminum	lial
136	NaAl	Sodium aluminum	naal
137	B₂^-	Boron diatomic anion	b2-
138	Al₂	Aluminum diatomic	al2
139	Al₂^-	aluminum diatomic anion	al2-
140	Al₂⁺	aluminum diatomic cation	al2+
141	LiBH₄	Lithium borohydride	libh4
142	B₂H₄	Diborane(4) D2d	b2h4
143	HBHHBH	Diborane(4) C2V	hbhhbh
144	B₂H₆	Diborane	b2h6
145	Al₂H₆	dialane	al2h6
146	Ga₂H₆	digallane	ga2h6
147	BC⁺	boron monocarbide cation	bc+
148	C₂	Carbon diatomic	c2
149	C₂^-	carbon diatomic anion	c2-
150	Si₂^-	silcon diatomic anion	si2-
151	Si₂⁺	silcon diatomic cation	si2+
152	C₂H^-	Ethynyl anion	c2h-
153	C₂H⁺	Ethynyl cation	c2h+
154	C₂H₂	Acetylene	c2h2
155	Si₂H₂	disilyne	si2h2
156	CuCH₃	monomethyl copper	cuch3
157	CH₂BH	methyleneborane	ch2bh
158	C₂H₃^-	vinyl anion	c2h3-
159	C₂H₄	Ethylene	c2h4
160	CH₂SiH₂	silaethylene	ch2sih2
161	Si₂H₄	Disilene	si2h4
162	CH₃BH₂	methylborane	ch3bh2
163	C₂H₅^-	Ethyl anion	c2h5-
164	C₂H₅⁺	Ethyl cation	c2h5+
165	C₂H₆	Ethane	c2h6
166	CH₃SiH₃	methyl silane	ch3sih3
167	Si₂H₆	disilane	si2h6
168	GeH₃CH₃	methyl germane	geh3ch3
169	C₂H₇⁺	Ethane, protonated	c2h7+
170	BeN⁺	Beryllium mononitride cation	ben+
171	BN^-	boron nitride anion	bn-
172	AlN^-	aluminum mononitride anion	aln-
173	AlN⁺	aluminum mononitride cation	aln+
174	BN⁺	boron nitride cation	bn+
175	CN^-	cyanide anion	cn-
176	CN⁺	Cyano cation	cn+
177	CP^-	carbon monophosphide anion	cp-
178	CP⁺	carbon monophosphide cation	cp+
179	SiN^-	silicon mononitride anion	sin-
180	SiN⁺	silicon mononitride cation	sin+
181	TiN	Titanium mononitride	tin
182	N₂	Nitrogen diatomic	n2
183	PN	Phosphorus mononitride	pn
184	PN^-	phosphorus nitride anion	pn-
185	PN⁺	phosphorus nitride cation	pn+
186	P₂	Phosphorus diatomic	p2
187	P₂^-	phosphorus diatomic anion	p2-
188	P₂⁺	phosphorus diatomic cation	p2+
189	AsN	Arsenic mononitride	asn
190	AsP	Arsenic monophosphide	asp
191	SbN	Antimony nitride	sbn
192	As₂	Arsenic diatomic	as2
193	HNC	hydrogen isocyanide	hnc
194	HCN	Hydrogen cyanide	hcn
195	HCN^-	Hydrogen cyanide anion	hcn-
196	HCP	Phosphaethyne	hcp
197	NNH⁺	Dinitrogen monohydride cation	nnh+
198	HPO	Hydrogen phosphorus oxide	hpo
199	LiNH₂	lithium amide	linh2
200	HBNH	Boranimine	hbnh
201	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
202	HCNH⁺	N-protonated HCN	hcnh+
203	H₂NN	Isodiazene	h2nn
204	N₂H₂	(E)-diazene	n2h2
205	N₂H₂	(Z)-Diazene	n2h2z
206	CH₂NH	Methanimine	ch3n
207	CHNH₂	aminomethylene	chnh2
208	CH₂PH	Phosphaethene	ch3p
209	BH₂NH₂	Boranamine	bh2nh2
210	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
211	N₂H₄	Hydrazine	n2h4
212	P₂H₄	Diphosphine	p2h4
213	CH₃NH₂	methyl amine	ch3nh2
214	CH₃PH₂	Methyl phosphine	ch3ph2
215	SiH₃NH₂	Silane, amino	sih3nh2
216	N₂H₅⁺	protonated hydrazine	n2h5+
217	BH₃PH₃	borane phosphine	bh3ph3
218	BH₃NH₃	borane ammonia	bh3nh3
219	CH₃NH₃⁺	protonated methylamine	ch3nh3+
220	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
221	NH₃NH₃	Ammonia Dimer	nh3nh3
222	N₂H₇⁺	ammonia ammonium dimer	n2h7+
223	NaO^-	sodium oxide anion	nao-
224	NaO⁺	sodium oxide cation	nao+
225	BeO	beryllium oxide	beo
226	BeS	beryllium sulfide	bes
227	MgO	magnesium oxide	mgo
228	MgO^-	magnesium oxide anion	mgo-
229	MgO⁺	magnesium oxide cation	mgo+
230	CaO	Calcium monoxide	cao
231	MgS	magnesium sulfide	mgs
232	MgS^-	magnesium sulfide anion	mgs-
233	MgS⁺	magnesium sulfide cation	mgs+
234	CaS	Calcium sulfide	cas
235	ZnO	zinc monoxide	zno
236	ZnS	Zinc sulfide	zns
237	BeS^-	Beryllium monosulfide anion	bes-
238	BeS⁺	Beryllium monosulfide cation	bes+
239	AlO^-	Aluminum monoxide anion	alo-
240	AlO⁺	aluminum monoxide cation	alo+
241	BS^-	boron monosulfide anion	bs-
242	BS⁺	boron monosulfide cation	bs+
243	AlS^-	aluminum monosulfide anion	als-
244	AlS⁺	aluminum monosulfide cation	als+
245	BO⁺	boron monoxide cation	bo+
246	CO	Carbon monoxide	co
247	CS	carbon monosulfide	cs
248	CS^-	carbon monosulfide anion	cs-
249	CS⁺	carbon monosulfide cation	cs+
250	SiO	Silicon monoxide	sio
251	SiO^-	silicon monoxide anion	sio-
252	SiO⁺	silicon monoxide cation	sio+
253	SiS	silicon monosulfide	sis
254	SiS^-	silicon monosulfide anion	sis-
255	SiS⁺	silicon monosulfide cation	sis+
256	CSe	Carbon monoselenide	cse
257	CSe^-	Carbon monoselenide anion	cse-
258	CSe⁺	Carbon monoselenide cation	cse+
259	GeO	Germanium monoxide	geo
260	GeS	Germanium monosulfide	ges
261	SiSe	Silicon Monoselenide	sise
262	GeSe	Germanium monoselenide	gese
263	NO⁺	nitric oxide cation	no+
264	NS⁺	nitrogen sulfide cation	ns+
265	PO^-	phosphorus monoxide anion	po-
266	PO⁺	phosphorus monoxide cation	po+
267	PS^-	phosphorus monosulfide anion	ps-
268	PS⁺	phosphorus monosulfide cation	ps+
269	O₂^--	dioxygen dianion	o2--
270	SO^-	sulfur monoxide anion	so-
271	S₂^-	sulfur diatomic anion	s2-
272	S₂⁺	sulfur diatomic cation	s2+
273	SeO^-	selenium monoxide anion	seo-
274	SeO⁺	selenium monoxide cation	seo+
275	SeS	Selenium monosulfide	ses
276	SeS^-	selenium monosulfide anion	ses-
277	SeS⁺	selenium monosulfide cation	ses+
278	Se₂^-	selenium diatomic anion	se2-
279	Se₂⁺	selenium diatomic cation	se2+
280	LiOH	lithium hydroxide	lioh
281	NaOH	sodium hydroxide	naoh
282	KOH	Potassium hydroxide	koh
283	CaOH	Calcium monohydroxide	caoh
284	HBO	Boron hydride oxide	hbo
285	HBS	hydrogen boron sulfide	hbs
286	COH⁺	Carbon Monoxide, protonated	coh+
287	HCS^-	Thioformyl anion	hcs-
288	HNS	Sulfur imide	hns
289	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
290	H₂CO	Formaldehyde	h2co
291	HOCH	hydroxycarbene	hoch
292	H₂CS	Thioformaldehyde	h2cs
293	H₂CSe	Selenoformaldehyde	h2cse
294	H₂O₂	Hydrogen peroxide	h2o2
295	H₂OO	water oxide	h2oo
296	HOSH	hydrogen thioperoxide	hosh
297	H₂S₂	Disulfane	h2s2
298	H₂Se₂	hydrogen diselenide	h2se2
299	CH₂OH⁺	hydroxymethyl cation	ch2oh+
300	CH₃O^-	methoxy anion	ch3o-
301	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
302	NH₂OH	hydroxylamine	nh2oh
303	NH₃O	Ammonia Oxide	nh3o
304	H₂POH	Phosphinous acid	h2poh
305	H₃PO	Phosphine oxide	h3po
306	NH₂SH	Thiohydroxylamine	nh2sh
307	NH₃S	sulfidoazane	nh3s
308	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
309	CH₃OH	Methyl alcohol	ch3oh
310	CH₃SH	Methanethiol	ch3sh
311	SiH₃OH	silanol	sih3oh
312	CH₃SeH	Methane selenol	ch3seh
313	H₂OH₂O	water dimer	h2oh2o
314	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
315	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
316	H₂ONH₃	Water Ammonia Dimer	h2onh3
317	H₅O₂⁺	Dihydroxonium ion	h5o2+
318	LiF	lithium fluoride	lif
319	LiCl	lithium chloride	licl
320	LiCl^-	lithium chloride anion	licl-
321	LiCl⁺	lithium chloride cation	licl+
322	NaF	sodium fluoride	naf
323	NaF^-	sodium fluoride anion	naf-
324	KF	Potassium Fluoride	kf
325	NaCl	Sodium Chloride	nacl
326	NaCl^-	sodium chloride anion	nacl-
327	NaCl⁺	sodium chloride cation	nacl+
328	KCl	Potassium Chloride	kcl
329	CuF	Copper monofluoride	cuf
330	LiBr	Lithium Bromide	libr
331	LiBr^-	lithium bromide anion	libr-
332	LiBr⁺	lithium bromide cation	libr+
333	CuCl	Copper monochloride	cucl
334	NaBr	Sodium Bromide	nabr
335	NaBr^-	sodium bromide anion	nabr-
336	NaBr⁺	sodium bromide cation	nabr+
337	KBr	Potassium Bromide	kbr
338	LiI	Lithium Iodide	lii
339	NaI	Sodium Iodide	nai
340	KI	Potassium Iodide	ki
341	MgF^-	magnesium fluoride anion	mgf-
342	MgF⁺	magnesium fluoride cation	mgf+
343	CaF	Calcium monofluoride	caf
344	MgCl^-	magnesium monochloride anion	mgcl-
345	MgCl⁺	magnesium monochloride cation	mgcl+
346	ZnF^-	Zinc monofluoride anion	znf-
347	ZnF⁺	Zinc monofluoride cation	znf+
348	BeCl^-	beryllium monochloride anion	becl-
349	BeCl⁺	beryllium monochloride cation	becl+
350	BF	Boron monofluoride	bf
351	BF^-	Boron monofluoride anion	bf-
352	BF⁺	Boron monofluoride cation	bf+
353	AlF	Aluminum monofluoride	alf
354	AlF^-	Aluminum monofluoride anion	alf-
355	AlF⁺	Aluminum monofluoride cation	alf+
356	BCl	boron monochloride	bcl
357	BCl^-	boron monochloride anion	bcl-
358	BCl⁺	boron monochloride cation	bcl+
359	AlCl	Aluminum monochloride	alcl
360	AlCl^-	aluminum monochloride anion	alcl-
361	AlCl⁺	aluminum monochloride cation	alcl+
362	ScF	Scandium monofluoride	scf
363	BBr	Boron monobromide	bbr
364	AlBr	Aluminum monobromide	albr
365	AlI	Aluminum monoiodide	ali
366	GaBr	Gallium monobromide	gabr
367	CF⁺	carbon monofluoride cation	cf+
368	CCl^-	carbon monochloride anion	ccl-
369	CCl⁺	carbon monochloride cation	ccl+
370	SiF⁺	silicon monofluoride cation	sif+
371	SiCl^-	silicon monochloride anion	sicl-
372	SiCl⁺	silicon monochloride cation	sicl+
373	GeF⁺	Germanium monofluoride cation	gef+
374	GeCl⁺	Germanium monochloride cation	gecl+
375	NF^-	nitrogen monofluorine anion	nf-
376	NF⁺	nitrogen monofluoirde cation	nf+
377	PF	phosphorus monofluoride	pf
378	PF^-	phosphorus monofluoride anion	pf-
379	PF⁺	phosphorus monofluoride cation	pf+
380	PCl	phosphorus chloride	pcl
381	PCl^-	phosphorus monochloride anion	pcl-
382	PCl⁺	phosphorus monochloride cation	pcl+
383	SbF	Antimony monofluoride	sbf
384	SbCl	Antimony monochloride	sbcl
385	FO^-	flourine oxide anion	fo-
386	FO⁺	fluorine monoxide cation	fo+
387	ClO^-	chlorine monoxide anion	clo-
388	SF^-	sulfur monofluoride anion	sf-
389	SCl^-	sulfur monochloride anion	scl-
390	BrO^-	Bromine monoxide anion	bro-
391	BrCl	Bromine monochloride	brcl
392	F₂	Fluorine diatomic	f2
393	ClF^-	clorine monofluoride anion	clf-
394	Cl₂	Chlorine diatomic	cl2
395	BrF	Bromine monofluoride	brf
396	BrF^-	bromine fluoride anion	brf-
397	BrF⁺	bromine fluoride cation	brf+
398	BrCl^-	bromine chloride anion	brcl-
399	BrCl⁺	bromine chloride cation	brcl+
400	IF	Iodine monofluoride	if
401	Br₂	Bromine diatomic	br2
402	ICl	Iodine monochloride	icl
403	IBr	Iodine monobromide	ibr
404	I₂	Iodine diatomic	i2
405	HCF	Fluoromethylene	hcf
406	HCCl	Chloromethylene	hccl
407	HSiF	fluorosilylene	hsif
408	HSiCl	Chlorosilylene	hsicl
409	HSiBr	monobromosilylene	hsibr
410	CHBr	bromomethylene	chbr
411	HOF	Hypofluorous acid	hfo
412	DOCl	Hypochlorous acid-d	docl
413	HOCl	hypochlorous acid	hocl
414	HOBr	Hypobromous acid	hobr
415	HOI	Hypoiodous acid	hoi
416	F₂H⁺	Fluorine, protonated	f2h+
417	FHF	Hydrogen difluoride	fhf
418	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
419	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
420	Cl₂H⁺	Chlorine, protonated	cl2h+
421	CH₂F⁺	fluoromethyl cation	ch2f+
422	CH₂Cl⁺	chloromethyl cation	ch2cl+
423	NH₂F	monofluoroamine	nh2f
424	NH₂Cl	chloramine	nh2cl
425	H₂F₂	Hydrogen fluoride dimer	h2f2
426	CD₃F	methylfluoride-d3	cd3f
427	CH₃F	Methyl fluoride	ch3f
428	CD₃Cl	methyl chloride d3	cd3cl
429	CH₃Cl	Methyl chloride	ch3cl
430	SiH₃F	monofluorosilane	sih3f
431	SiH₃Cl	chlorosilane	sih3cl
432	GeH₃F	monofluorogermane	geh3f
433	GeH₃Cl	monochlorogermane	geh3cl
434	SiH₃Br	bromosilane	sih3br
435	CH₃I	methyl iodide	ch3i
436	SiH₃I	Silyl Iodide	sih3i
437	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
438	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
439	NH₄Cl	Ammonium chloride	nh4cl
440	LiNe⁺	Lithium Neon cation	line+
441	Ne₂	Neon diatomic	ne2
442	Ar₂	Argon diatomic	ar2
443	Li₃⁺	Lithium trimer cation	li3+
444	SiC₂	Silicon dicarbide	sic2
445	C₃H₃	Propargyl radical	propargyl
446	C₃H₃⁺	cyclopropenyl cation	cpr+
447	C₃H₄	cyclopropene	cprop
448	CH₂CCH₂	allene	allene
449	CH₃CCH	propyne	propyne
450	C₃H₅⁺	Allyl cation	allyl+
451	Zn(CH₃)₂	dimethyl zinc	dmz
452	C₃H₆	Cyclopropane	c3h6
453	CH₂CHCH₃	Propene	propene
454	C₃H₇⁺	cyclopropane, protonated	c3h7+
455	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
456	C₃H₈	Propane	propane
457	SiH₂(CH₃)₂	dimethylsilane	dms
458	Si₃H₈	trisilane	si3h8
459	NaCN	Sodium Cyanide	nacn
460	KCN	Potassium cyanide	kcn
461	CuCN	Copper cyanide	cucn
462	AlCN	Aluminum monocyanide	alcn
463	AlNC	Aluminum isocyanide	alnc
464	CN₂	3H-Diazirin-3-ylidene	cn2
465	N₃^-	azide anion	n3-
466	HCNN	diazomethyl radical	hcnn
467	HNCNH	diiminomethane	hncnh
468	CH₂N₂	diazirine	ch2n2
469	CH₂NN	diazomethane	ch2nn
470	NH₂CN	cyanamide	cyanamide
471	HNNNH⁺	1,2-Triazadienium	n2h3+
472	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
473	CH₃CN	Acetonitrile	ch3cn
474	CH₃NC	methyl isocyanide	ch3nc
475	CHNCH₂	2H-Azirine	c157164
476	CHNHCH	1H-Azirine	chnhch
477	H₂CCNH	Ethenimine	ch2cnh
478	H₂CNCH	methyleneaminomethylene	ch2nch
479	HCCNH₂	Ethynamine	hccnh2
480	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
481	NCNH₃⁺	Cyanamide, protonated	ncnh3+
482	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
483	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
484	NHCHNH₂	aminomethanimine	cn2h4
485	C₂H₅N	Aziridine	c2h5n
486	CH₂CHNH₂	aminoethene	aminoethene
487	CH₂NCH₃	N-methylmethanimine	nmm
488	CH₃CHNH	ethanimine	ethanimine
489	NH₂BHNH₂	diaminoborane	nh2bhnh2
490	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
491	C₂H₆N⁺	aziridine, protonated	c2h6n+
492	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
493	CH₃CH₂NH₂	Ethylamine	etam
494	CH₃NHCH₃	Dimethylamine	ch3nhch3
495	CH₃PHCH₃	dimethylphosphine	ch3phch3
496	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
497	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
498	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
499	Li₂O	dilithium oxide	li2o
500	Li₂S	dilithium sulfide	li2s
501	Na₂O	disodium monoxide	na2o
502	Na₂S	Sodium sulfide	na2s
503	CNO^-	fulminate	cno-
504	NCO^-	cyanate	nco-
505	SCN^-	thiocyanide anion	scn-
506	BO₂^-	Boron dioxide anion	bo2-
507	N₂O	Nitrous oxide	n2o
508	NNS	Nitrogen sulfide	nns
509	PPO	Phosphorus oxide phosphide	ppo
510	CO₂	Carbon dioxide	co2
511	OCS	Carbonyl sulfide	cos
512	SiO₂	silicon dioxide	sio2
513	CS₂	Carbon disulfide	cs2
514	TiO₂	Titanium dioxide	tio2
515	SiS₂	Silicon disulfide	sis2
516	GeO₂	Germanium dioxide	geo2
517	OCSe	Carbonyl selenide	ocse
518	SCSe	Carbon sulfide selenide	scse
519	GeS₂	Germanium disulfide	ges2
520	CSe₂	Carbon diselenide	cse2
521	SCTe	Carbon sulfide Telluride	scte
522	PO₂^-	Phosphorus dioxide anion	po2-
523	O₃	Ozone	o3
524	SSO	Disulfur monoxide	sso
525	S₃	Sulfur trimer	s3
526	SeO₂	Selenium dioxide	seo2
527	TeO₂	Tellurium Dioxide	teo2
528	CS₂H⁺	Carbon disulfide, protonated	cs2h+
529	HCNO	fulminic acid	hcno
530	HNCO	Isocyanic acid	hnco
531	HOCN	cyanic acid	hocn
532	HNCS	Isothiocyanic acid	hncs
533	HSCN	thiocyanic acid	hscn
534	HCO₂^-	formate anion	hco2-
535	HNNO	nitrosoazane	hnno
536	HNNO⁺	Nitrous oxide, N-protonated	hnno+
537	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
538	HNO₂	Nitrous acid	hno2
539	O₃H⁺	protonated ozone	o3h+
540	SO₂H⁺	protonated sulfur dioxide	so2h+
541	C₂H₂O	Oxirene	oxirene
542	CH₂CO	Ketene	ch2co
543	HCCOH	ethynol	hccoh
544	CH₂CS	Thioketene	ch2cs
545	Be(OH)₂	Beryllium hydroxide	beo2h2
546	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
547	NH₂NO	Nitrosamide	nh2no
548	CH₂O₂	Dioxirane	diox
549	H₂COO	Dioxymethyl radical	h2coo
550	H₂COO⁺	dioxymethyl cation	h2coo+
551	HCOOH	Formic acid	ch2o2
552	H₂O₃	Hydrogen trioxide	h2o3
553	HSSSH	trisulfane	hsssh
554	NaOCH₃	Sodium methoxide	naoch3
555	CH₂BOH	hydroxy(methylene)borane	ch2boh
556	BH₃CO	Borane carbonyl	bh3co
557	CH₃BO	Borane, methyloxo-	ch3bo
558	CH₂COH⁺	ketene, protonated	ch2coh+
559	CH₃CO^-	Acetyl anion	ch3co-
560	CH₃CO⁺	acetyl cation	ch3co+
561	CH₂NOH	formaldoxime	ch2noh
562	CH₃NO	nitrosomethane	ch3no
563	CHONH₂	formamide	formamide
564	CNOH₃	1,2-oxaziridine	cnoh3
565	HOCHNH	hydroxymethylimine	hochnh
566	CHSNH₂	thioformamide	chsnh2
567	NHCHSH	Methanimidothioic acid	nhchsh
568	CH₃OO^-	methylperoxy anion	ch3oo-
569	C₂H₄O	Ethylene oxide	c2h4o
570	CH₂CHOH	ethenol	ch2choh
571	CH₃CHO	Acetaldehyde	ch3cho
572	C₂H₄S	Thiirane	thiirane
573	CH₂CHSH	Ethenethiol	ch2chsh
574	CH₃CHS	Thioacetaldehyde	ch3chs
575	H₂CONH₂⁺	protonated formamide	h2conh2+
576	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
577	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
578	CH₂(OH)₂	methanediol	ch2o2h2
579	CH₃OOH	Methyl peroxide	ch3ooh
580	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
581	HSCH₂SH	Methanedithiol	ch4s2
582	H₂OH₂CO	water formaldehyde dimer	h2oh2co
583	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
584	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
585	NH₂CH₂OH	aminomethanol	nh2ch2oh
586	CH₃CH₂OH	Ethanol	etoh
587	CH₃OCH₃	Dimethyl ether	meome
588	CH₃SCH₃	Dimethyl sulfide	mesme
589	CH₃SeCH₃	dimethylselenide	dmse
590	CH₃OHH₂O	methanol water dimer	ch3ohh2o
591	H₂OCH₃OH	water methanol dimer	h2och3oh
592	CNF	iso cyanogen fluoride	cnf
593	FCN	Cyanogen fluoride	fcn
594	ClCN	chlorocyanogen	clcn
595	BrCN	Cyanogen bromide	brcn
596	FBO	Boron monofluoride monoxide	fbo
597	BeF₂	Beryllium fluoride	bef2
598	MgF₂	Magnesium fluoride	mgf2
599	BeCl₂	Beryllium chloride	becl2
600	MgCl₂	Magnesium dichloride	mgcl2
601	CaCl₂	Calcium Chloride	cacl2
602	ZnCl₂	Zinc dichloride	zncl2
603	BeBr₂	Beryllium bromide	bebr2
604	CaBr₂	Calcium dibromide	cabr2
605	CaF₂	Calcium difluoride	caf2
606	FCO⁺	Carbonyl fluoride cation	fco+
607	FNO	Nitrosyl fluoride	fno
608	ClNO	Nitrosyl chloride	clno
609	FNS	Thionitrosyl fluoride	fns
610	FSN	Thiazyl fluoride	fsn
611	OPCl	Phosphorus oxychloride	opcl
612	INO	Nitrosyl iodide	ino
613	CF₂	Difluoromethylene	cf2
614	CFCl	chlorofluoromethylene	cfcl
615	CCl₂	dichloromethylene	ccl2
616	SiCl₂	Dichlorosilylene	sicl2
617	GeF₂	Germanium difluoride	gef2
618	GeCl₂	Germanium dichloride	gecl2
619	CBr₂	dibromomethylene	cbr2
620	PF₂⁺	Phosphorus difluoride cation	pf2+
621	FClO	chlorosyl fluoride	fclo
622	F₂O	Difluorine monoxide	f2o
623	ClOF	Chlorine hypofluorite	clof
624	SF₂	sulfur difluoride	sf2
625	Cl₂O	Dichlorine monoxide	cl2o
626	SCl₂	Sulfur dichloride	scl2
627	SeF₂	Selenium difluoride	sef2
628	SeCl₂	Selenium Dichloride	secl2
629	SBr₂	Sulfur dibromide	sbr2
630	SeBr₂	Selenium dibromide	sebr2
631	F₃^-	trifluoride anion	f3-
632	Cl₃^-	trichloride anion	cl3-
633	Br₃^-	tribromide anion	br3-
634	SFCl	Sulfur chloride fluoride	sfcl
635	HCCF	Fluoroacetylene	hccf
636	HCCCl	Chloroacetylene	hcccl
637	HCCBr	bromoacetylene	hccbr
638	HFCO	formyl fluoride	hfco
639	BHF₂	Difluoroborane	bhf2
640	BHCl₂	Borane, dichloro-	bhcl2
641	CHF₂⁺	difluoromethyl cation	chf2+
642	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
643	CHCl₂⁺	dichloromethyl cation	chcl2+
644	HOClO	Chlorous acid	hoclo
645	NHF₂	difluoramine	nhf2
646	NHCl₂	dichloroamine	nhcl2
647	CH₂F₂	Methane, difluoro-	ch2f2
648	CH₂FCl	fluorochloromethane	ch2fcl
649	SiH₂F₂	difluorosilane	sih2f2
650	CH₂Cl₂	Methylene chloride	ch2cl2
651	CH₂BrF	Methane, bromofluoro-	ch2fbr
652	CH₂BrCl	Methane, bromochloro-	ch2clbr
653	CH₂FI	fluoroiodomethane	ch2fi
654	CH₂Br₂	dibromomethane	ch2br2
655	CH₂ClI	chloroiodomethane	ch2cli
656	CH₂BrI	bromoiodomethane	ch2bri
657	CH₂I₂	Diiodomethane	ch2i2
658	SiH₂Cl₂	dichlorosilane	sih2cl2
659	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
660	CH₂CHF⁺	fluoroethene cation	ch2chf+
661	C₂H₃Cl	Ethene, chloro-	ch2chcl
662	C₂H₃Br	vinyl bromide	c2h3br
663	C₂H₃I	Vinyl iodide	c2h3i
664	CH₂FOH	fluoromethanol	ch2foh
665	C₂H₅F	fluoroethane	c2h5f
666	CH₃CH₂Cl	Ethyl chloride	c2h5cl
667	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
668	C₂H₅Br	Ethyl bromide	etbr
669	C₂H₅I	Ethyl iodide	c2h5i
670	KrF₂	Krypton difluoride	krf2
671	XeF₂	Xenon difluoride	xef2
672	B₄H₁₀	Tetraborane(10)	b4h10
673	C₄⁺	Carbon tetramer cation	c4+
674	C₄H₂	Diacetylene	c4h2
675	C₂H₃CCH	1-Buten-3-yne	c2h3cch
676	C₄H₄	cyclobutadiene	cbd
677	C₄H₄	Tetrahedrane	c4h4
678	H₂CCCCH₂	Butatriene	h2cccch2
679	C₄H₆	1-Methylcyclopropene	c3100047
680	C₄H₆	Cyclobutene	c822355
681	C₄H₆	Methylenecyclopropane	c6142730
682	CH₂CCHCH₃	1,2-Butadiene	butad12
683	CH₂CHCHCH₂	1,3-Butadiene	c106990
684	CH₃CCCH₃	2-Butyne	c503173
685	CHCCH₂CH₃	1-Butyne	c107006
686	C₄H₈	methylcyclopropane	mcp
687	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
688	CH₂CHCH₂CH₃	1-Butene	bute1
689	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
690	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
691	B(CH₃)₃	trimethylborane	bme3
692	Al(CH₃)₃	trimethyl aluminum	tma
693	CH₃CH(CH₃)CH₃	Isobutane	isobutane
694	CH₃CH₂CH₂CH₃	Butane	butane
695	SiH(CH₃)₃	trimethylsilane	trimsi
696	Li₃N	trilithium nitride	li3n
697	C₂N₂	Cyanogen	c2n2
698	P₄	Phosphorus tetramer	p4
699	As₄	Arsenic tetramer	as4
700	HCCCN	Cyanoacetylene	hcccn
701	H₂CNCN	cyanamide, methylene	ch2ncn
702	HNCCNH	Ethenediimine	hnccnh
703	C₃H₃N	acrylonitrile	ch2chcn
704	CH₃N₃	methyl azide	ch3n3
705	NH₂CH₂CN	Aminoacetonitrile	aan
706	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
707	C₂H₅CN	ethyl cyanide	c2h5cn
708	CH₅N₃	Guanidine	guanidine
709	C₄H₆	Bicyclo[1.1.0]butane	c157335
710	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
711	H₂NCHCHNH₂	diaminoethylene	dae
712	CH₆N₃⁺	guanidinium	ch6n3+
713	C₃H₇N	Cyclopropylamine	cpram
714	CH₇N₃	triaminomethane	tam
715	C₃H₇N	Azetidine	azet
716	C₄H₈	cyclobutane	cbutane
717	C₂H₈N₂	Ethylenediamine	ethdiam
718	CH₃NHNHCH₃	dimethyl hydrazine	dmh
719	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
720	N(CH₃)₃	Trimethylamine	trimeam
721	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
722	P(CH₃)₃	trimethylphosphine	tmp
723	N(SiH₃)₃	trisilylamine	tsa
724	As(CH₃)₃	trimethyl arsine	tmas
725	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
726	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
727	Li₂O₂	dilithium dioxide	li2o2
728	Na₂O₂	disodium dioxide	na2o2
729	K₂O₂	dipotassium dioxide	k2o2
730	C₃O	Tricarbon monoxide	c3o
731	B₂O₂	Diboron dioxide	b2o2
732	ONNO	NO dimer	onno
733	S₂N₂	Disulfur dinitride	s2n2
734	CO₃	Carbon trioxide	co3
735	CO₃^--	carbonate	co3--
736	CS₃^--	Carbonotrithioate	cs3--
737	NO₃	Nitrogen trioxide	no3
738	NO₃^-	nitrate anion	no3-
739	SO₃	Sulfur trioxide	so3
740	SO₃^--	Sulfate dianion	so3--
741	SeO₃	selenium trioxide	seo3
742	S₄	Sulfur tetramer	s4
743	TeO₃	Tellurium trioxide	teo3
744	HCO₃^-	bicarbonate anion	hco3-
745	HNO₃	Nitric acid	hno3
746	NH₂NO₂	nitramide	nh2no2
747	C₂H₂CO	cyclopropenone	c2h2co
748	C₃H₂O	Propadienal	c3h2o
749	HCCCHO	2-propynal	hcccho
750	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
751	H₂CO₃	Carbonic acid	h2co3
752	H₂CS₃	thiocarbonic acid	h2cs3
753	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
754	H₂SO₃	Sulfurous acid	h2so3
755	C₂H₃NO	Nitrosoethylene	c2h3no
756	CH₃NCO	methylisocyante	ch3nco
757	HOCH₂CN	cyanomethanol	hoch2cn
758	CH₃COO^-	acetate anion	ch3coo-
759	CH₃NO₂	Methane, nitro-	ch3no2
760	CH₃ONO	Methyl nitrite	ch3ono
761	NH₂COOH	Carbamic acid	nh2cooh
762	H₃BO₃	Boric acid	h3bo3
763	H₃AlO₃	Aluminum hydroxide	h3alo3
764	H₃CO₃⁺	carbonic acid, protonated	h3co3+
765	C₃H₄O	2-Propyn-1-ol	c107197
766	C₃H₄O	allenol	c9000071
767	C₃H₄O	Cyclopropanone	cpone
768	C₃H₄O	Methylketene	c6004440
769	CH₂CHCHO	Acrolein	c3h4o
770	NH₂CONH₂	Urea	urea
771	NH₂CONH₂⁺	Urea cation	urea+
772	NH₂CSNH₂	Thiourea	thiourea
773	C₂H₄O₂	1,3-dioxetane	c2h4o2
774	CH₃COOH	Acetic acid	ch3cooh
775	CH₃OCHO	methyl formate	ch3ocho
776	CHOCH₂OH	hydroxy acetaldehyde	haa
777	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
778	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
779	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
780	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
781	HCOOHH₂O	Formic acid water dimer	hcoohh2o
782	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
783	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
784	CH₃C(OH)=NH	Ethaninidic acid	eia
785	CH₃CHNOH	Acetaldoxime	acetaldoxime
786	CH₃CONH₂	Acetamide	acetamide
787	HCONHCH₃	N-methylformamide	nmfa
788	CH₃CSNH₂	Ethanethioamide	ch3csnh2
789	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
790	H₂NCOHNH₂⁺	urea, protonated	ureah+
791	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
792	C₃H₅OH	Cyclopropanol	cproh
793	C₃H₆O	2-Propen-1-ol	c107186
794	C₃H₆O	Acetone enol	enol
795	C₃H₆O	Oxetane	oxetane
796	C₃H₆O	Propylene oxide	prox
797	CH₃CH₂CHO	Propanal	propanal
798	CH₃COCH₃	Acetone	acetone
799	C₃H₆S	Thietane	thietane
800	C₃H₆S	Thiirane, methyl-	methiirane
801	CH₃CSCH₃	Thioacetone	ch3csch3
802	C₂H₆O₂	1,2-Ethanediol	ethdiol
803	CH₃OOCH₃	dimethylperoxide	dmp
804	CH₃SOCH₃	Dimethyl sulfoxide	dmso
805	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
806	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
807	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
808	HOCH₂CH₂NH₂	monoethanolamine	mea
809	C₃H₇OH	1-Propanol	proh
810	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
811	CH₃OC₂H₅	Ethane, methoxy-	etome
812	C₃H₇SH	1-Propanethiol	prsh
813	CH₃CHSHCH₃	2-Propanethiol	isoprsh
814	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
815	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
816	Li₂F₂	Lithium fluoride dimer	li2f2
817	Na₂F₂	Sodium Fluoride Dimer	na2f2
818	Na₂Cl₂	Disodium dichloride	na2cl2
819	C₂F₂	difluoroacetylene	c2f2
820	C₂Cl₂	dichloroacetylene	c2cl2
821	FNO₂	Nitryl fluoride	fno2
822	FONO	Nitrosyl hypofluorite	fono
823	ClNO₂	Nitryl chloride	clno2
824	ClONO	chlorine nitrite	clono
825	N₂F₂	(Z)-Difluorodiazene	n2f2_z
826	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
827	CF₂O	Carbonic difluoride	f2co
828	CCl₂O	Phosgene	cl2co
829	Cl₂CS	Thiophosgene	cl2cs
830	BF₃	Borane, trifluoro-	bf3
831	AlF₃	Aluminum trifluoride	alf3
832	BClF₂	Chlorodifluoroborane	bclf2
833	AlF₂Cl	Aluminum chloride difluoride	alclf2
834	ScF₃	Scandium trifluoride	ScF3
835	AlFCl₂	Aluminum dichloride fluoride	alcl2f
836	BCl₃	Borane, trichloro-	bcl3
837	GaF₃	Gallium trifluoride	gaf3
838	AlCl₃	Aluminum trichloride	alcl3
839	GaCl₃	Gallium trichloride	gacl3
840	BBr₃	Boron tribromide	bbr3
841	AlBr₃	Aluminum Bromide	albr3
842	ClO₃	Chlorine trioxide	clo3
843	ClO₃^-	chlorate anion	clo3-
844	BrO₃^-	Bromate anion	bro3-
845	SiCl₃	trichlorosilyl radical	sicl3
846	SiCl₃⁺	trichlorosilyl cation	sicl3+
847	FOOF	Perfluoroperoxide	foof
848	ClO₂F	Chloryl fluoride	clo2f
849	F₂SO	Thionyl Fluoride	f2so
850	ClOOCl	Dichlorine dioxide	cloocl
851	FSSF	Difluorodisulfane	fssf
852	S₂F₂	Thio-thionyl fluoride	s2f2
853	SOCl₂	thionyl chloride	socl2
854	SSCl₂	Thiothionyl chloride	sscl2
855	SeOCl₂	selenium oxychloride	seocl2
856	PF₃	Phosphorus trifluoride	pf3
857	NCl₃	nitrogen trichloride	ncl3
858	AsF₃	Arsenic trifluoride	asf3
859	PCl₃	Phosphorus trichloride	pcl3
860	SbF₃	Antimony Trifluoride	sbf3
861	AsCl₃	Arsenous trichloride	ascl3
862	SbCl₃	Antimony Trichloride	sbcl3
863	NBr₃	Nitrogen Tribromide	nbr3
864	PBr₃	Phosphorus tribromide	pbr3
865	AsBr₃	Arsenic tribromide	asbr3
866	NI₃	Nitrogen triiodide	ni3
867	PI₃	Phosphorus triiodide	pi3
868	ClSSCl	Disulfur dichloride	s2cl2
869	ClF₃	Chlorine trifluoride	clf3
870	BrF₃	Bromine trifluoride	brf3
871	IF₃	iodone trifluoride	if3
872	HClO₃	Chloric Acid	hclo3
873	CHF₃	Methane, trifluoro-	chf3
874	CHF₂Cl	difluorochloromethane	chf2cl
875	SiHF₃	trifluorosilane	sihf3
876	CHFCl₂	fluorodichloromethane	chfcl2
877	CDCl₃	trichloromethane-d	cdcl3
878	CHCl₃	Chloroform	chcl3
879	SiHCl₃	Trichlorosilane	sihcl3
880	CHFClBr	fluorochlorobromomethane	chfclbr
881	CHF₂I	difluoroiodomethane	chf2i
882	CHBr₂F	dibromofluoromethane	chbr2f
883	CHFClI	fluorochloroiodomethane	chfcli
884	CHCl₂I	dichloroiodomethane	chcl2i
885	CHBr₃	bromoform	chbr3
886	CHI₃	Iodoform	chi3
887	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
888	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
889	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
890	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
891	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
892	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
893	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
894	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
895	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
896	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
897	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
898	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
899	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
900	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
901	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
902	CH₃COF	Acetyl fluoride	ch3cof
903	CH₃COCl	Acetyl Chloride	ch3cocl
904	C₂H₄F₂	1,2-difluoroethane	c2h4f2
905	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
906	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
907	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
908	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
909	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
910	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
911	CH₂CFCH₃	2-fluoropropene	2fpro
912	CH₂CHCH₂F	Allyl Fluoride	allylf
913	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
914	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
915	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
916	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
917	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
918	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
919	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
920	CH₂FCH₂CH₃	1-Fluoropropane	prf1
921	CH₃CHFCH₃	2-Fluoropropane	prf2
922	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
923	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
924	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
925	B₅H₉	pentaborane9	b5h9
926	C₅H₄	pentatetraene	ptrene
927	C₅H₅^-	cylopentadienyl anion	c5h5-
928	C₅H₆	1,3-Cyclopentadiene	c542927
929	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
930	C₅H₆	3-Penten-1-yne, (E)-	c2004695
931	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
932	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
933	C₅H₆	Cyclopropylacetylene	c6746947
934	C₅H₆	Propellane	propellane
935	C₅H₇	1,3-pentadienyl radical	pdyl
936	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
937	C₅H₈	1,2-Pentadiene	c591957
938	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
939	C₅H₈	1,3-Pentadiene, (E)-	c2004708
940	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
941	C₅H₈	1,4-Pentadiene	c591935
942	C₅H₈	1-pentyne	a1pentyne
943	C₅H₈	2,3-Pentadiene	c591968
944	C₅H₈	Bicyclo[1.1.1]pentane	bcp
945	C₅H₈	Cyclobutane, methylene-	c1120565
946	C₅H₈	Cyclopentene	c142290
947	C₅H₈	Ethenylcyclopropane	c693867
948	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
949	C₅H₁₀	1-Butene, 2-methyl-	c563462
950	C₅H₁₀	2-Butene, 2-methyl-	c513359
951	C₅H₁₀	2-Pentene, (E)-	c646048
952	C₅H₁₀	2-Pentene, (Z)-	c627203
953	C₅H₁₀	Cyclopentane	c287923
954	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
955	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
956	C₅H₁₂	Butane, 2-methyl-	buta2
957	C₅H₁₂	Pentane	pentane
958	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
959	Si(CH₃)₄	tetramethylsilane	tms
960	N₂O₃	Dinitrogen trioxide	n2o3
961	C₃H₂N₂	Malononitrile	c3h2n2
962	CH₂N₄	1H-Tetrazole	1htz
963	C₃H₃N₂^-	imidizolyl anion	im-
964	C₂H₃N₃	1H-1,2,4-Triazole	c288880
965	C₄H₄N^-	pyrrolide anion	c4h4n-
966	C₃H₄N₂	1H-Imidazole	1himidaz
967	C₃H₄N₂	1H-Pyrazole	1hpyraz
968	C₃H₄N₂	2H-Imidazole	imid2h
969	C₃H₄N₂	4H-Imidazole	imid4h
970	C₄H₅N	(E)-2-Butenenitrile	c627269
971	C₄H₅N	(Z)-2-Butenenitrile	c1190767
972	C₄H₅N	2H-pyrrole	pyrrole2
973	C₄H₅N	3H-pyrrole	pyrrole3
974	C₄H₅N	Cyclopropanecarbonitrile	c5500210
975	C₄H₅N	Pyrrole	pyrrole
976	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
977	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
978	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
979	C₄H₆N⁺	pyrrole, protonated	ppyr
980	C₃H₆N₂	3-Aminopropionitrile	c151188
981	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
982	CH₃CH₂CH₂CN	Butanenitrile	c109740
983	C₅H₈	Bicyclo[2.1.0]pentane	c185944
984	C₅H₈	Spiropentane	c157404
985	C₄H₉N	Cyclobutylamine	cbam
986	C₄H₉N	Pyrrolidine	pyrrolidine
987	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
988	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
989	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
990	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
991	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
992	NH(C₂H₅)₂	diethylamine	dea
993	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
994	C₃O₂	Carbon suboxide	c3o2
995	B₂O₃	diboron trioxide	b2o3
996	MgCO₃	Magnesium Carbonate	mgco3
997	BeCO₃	Beryllium Carbonate	beco3
998	CaCO₃	Calcium Carbonate	caco3
999	ONONO	Nitrosyl nitrite	onono
1000	PO₄^---	phosphate	po4---
1001	SO₄^--	sulfate	so4--
1002	HOONO₂	peroxy nitric acid	hoono2
1003	HSO₄^-	bisulfate anion	hso4-
1004	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1005	C₃H₂O₂	Propiolic acid	c3h2o2
1006	CHOCOOH	oxo acetic acid	oaa
1007	CHOOCHO	diformyl ether	choocho
1008	H₂SO₄	Sulfuric acid	h2so4
1009	H₂SeO₄	Selenic acid	h2seo4
1010	C₃H₃NO	Isoxazole	isox
1011	C₃H₃NO	Oxazole	oxazole
1012	C₃H₃NS	Thiazole	thiazole
1013	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1014	CH₃NO₃	Methyl nitrate	ch3no3
1015	H₃PO₄	Phosphoric Acid	h3po4
1016	C₄H₄O	Furan	furan
1017	C₄H₄O⁺	Furan cation	furan+
1018	CH₃COCCH	3-butyn-2-one	c1423605
1019	C₄H₄S	Thiophene	furans
1020	C₄H₄Se	selenophene	c4h4se
1021	C₃H₄O₂	β–Propiolactone	beta
1022	C₃H₄O₂	2-Propenoic acid	propenoic2
1023	C₃H₄O₂	Methyl glyoxal	megly
1024	C₃H₄O₂	propanedial	propanedial
1025	C₃H₄O₂	propenalol	propenalol
1026	HOCHCCHOH	allenediol	aldiol
1027	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1028	C₂H₄O₃	trioxolane124	triox
1029	HOCH₂COOH	Hydroxyacetic acid	hac
1030	CH₂CHCONH₂	Acrylamide	c79061
1031	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1032	CH₅N₃S	Hydrazinecarbothioamide	c79196
1033	H₂NCH₂COOH	Glycine	glycine
1034	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1035	C₄H₆O	cis-2-butenal	butenal2c
1036	C₄H₆O	Cyclobutanone	cbutone
1037	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1038	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1039	CH₂CHOCHCH₂	Vinyl ether	vinylether
1040	CHOCHCHCH₃	2-Butenal	butenal2
1041	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1042	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1043	CH₂CHSCHCH₂	Divinyl sulfide	divis
1044	C₂H₆N₂O	Urea, methyl-	c598505
1045	C₃H₆O₂	1,3-Dioxolane	dioxolane
1046	CH₃CH₂COOH	Propanoic Acid	propanoic
1047	CH₃COOCH₃	methyl acetate	aame
1048	HCOOC₂H₅	Ethyl formate	faee
1049	C₂H₆O₂S	Dimethyl sulfone	c67710
1050	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1051	C₃H₇NO	dimethylformamide	dmf
1052	C₃H₇NO	Propanamide	propanam
1053	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1054	C₄H₈O	Cyclobutanol	c2919235
1055	C₄H₈O	Furan, tetrahydro-	thf
1056	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1057	CH₃COCH₂CH₃	2-Butanone	buta2one
1058	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1059	CHOCH₂CH₂CH₃	Butanal	butanal
1060	C₄H₈S	Thiophene, tetrahydro-	tht
1061	C₃H₈O₂	1,3-Propanediol	c504632
1062	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1063	C₃H₈O₂	Methane, dimethoxy-	c109875
1064	C₃H₈O₂	Propylene glycol	c57556
1065	C₃H₈S₂	1,3-Propanedithiol	c109808
1066	C₄H₁₀O	1-Butanol	butanol1
1067	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1068	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1069	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1070	C₄H₁₀O	Ethoxy ethane	etoet
1071	C₄H₁₀O	Methyl propyl ether	meopr
1072	C₄H₁₀O	Propane, 2-methoxy-	c598538
1073	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1074	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1075	C₂H₅SC₂H₅	Diethyl sulfide	etset
1076	C₄H₉SH	1-Butanethiol	bush
1077	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1078	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1079	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1080	FNO₃	Fluorine nitrate	fno3
1081	ClONO₂	Chlorine nitrate	clono2
1082	BrONO₂	Bromine nitrate	brono2
1083	TiCl₄	Titanium tetrachloride	ticl4
1084	ClO₄^-	perchlorate anion	clo4-
1085	BF₄^-	tetrafluoroboron anion	bf4-
1086	ClFO₃	Perchloryl fluoride	clfo3
1087	SO₂F₂	Sulfuryl fluoride	so2f2
1088	SO₂Cl₂	Sulfuryl chloride	so2cl2
1089	F₃NO	Nitrogen trifluoride oxide	f3no
1090	F₃PO	Phosphoryl fluoride	pf3o
1091	Cl₃PO	Phosphoryl chloride	pcl3o
1092	CF₄	Carbon tetrafluoride	cf4
1093	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1094	SiF₄	Silicon tetrafluoride	sif4
1095	CF₂Cl₂	difluorodichloromethane	cf2cl2
1096	TiF₄	Titanium tetrafluoride	tif4
1097	CFCl₃	Trichloromonofluoromethane	cfcl3
1098	CF₃Br	Bromotrifluoromethane	cf3br
1099	GeF₄	Germanium tetrafluoride	gef4
1100	CCl₄	Carbon tetrachloride	ccl4
1101	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1102	SiCl₄	Silane, tetrachloro-	sicl4
1103	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1104	CF₃I	trifluoroiodomethane	cf3i
1105	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1106	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1107	GeCl₄	Germanium Tetrachloride	gecl4
1108	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1109	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1110	CCl₃I	trichloroiodomethane	ccl3i
1111	CFBr₃	fluorotribromomethane	cfbr3
1112	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1113	CBr₃Cl	tribromochloromethane	cbr3cl
1114	CF₂I₂	difluorodiiodomethane	cf2i2
1115	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1116	SiBr₄	Silicon tetrabromide	sibr4
1117	CBr₃I	tribromoiododmethane	cbr3i
1118	GeBr₄	Germanium tetrabromide	gebr4
1119	CI₄	tetraiodomethane	ci4
1120	SiI₄	silicon tetraiodide	sii4
1121	ClOF₃	Chlorine trifluoride oxide	clof3
1122	SF₄	Sulfur tetrafluoride	sf4
1123	SeF₄	Selenium tetrafluoride	sef4
1124	SCl₄	Sulfur tetrachloride	scl4
1125	C₂HF₃	Trifluoroethylene	c2hf3
1126	CHClCCl₂	Trichloroethylene	chclccl2
1127	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1128	HClO₄	perchloric acid	hclo4
1129	HSO₃F	Fluorosulfonic acid	hso3f
1130	CF₃OH	trifluoromethanol	cf3oh
1131	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1132	CHClCCHCl	1,3-dichloroallene	chclcchcl
1133	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1134	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1135	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1136	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1137	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1138	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1139	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1140	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1141	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1142	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1143	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1144	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1145	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1146	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1147	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1148	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1149	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1150	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1151	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1152	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1153	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1154	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1155	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1156	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1157	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1158	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1159	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1160	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1161	C₄H₉F	1-fluorobutane	butaf1
1162	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1163	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1164	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1165	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1166	C₂H₂N₂O	Furazan	furazan
1167	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1168	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1169	C₆H₂	hexatriyne	c6h2
1170	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1171	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1172	C₆H₄	Benzyne	benzyne
1173	C₆H₅^-	phenyl anion	phenyl-
1174	C₆H₆	Prismane	prismane
1175	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1176	C₆H₆	2,4-Hexadiyne	hexadiyne
1177	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1178	C₆H₆	Benzene	benzene
1179	C₆H₆	Benzvalene	bv
1180	C₆H₆	Dewar Benzene	dewar
1181	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1182	C₆H₆	Trimethylenecycopropane	tmcp
1183	C₆H₆⁺	Benzene cation	c6h6+
1184	C₆H₇⁺	benzene, protonated	c6h7+
1185	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1186	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1187	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1188	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1189	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1190	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1191	C₆H₈	3-Methylenecyclopentene	c930267
1192	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1193	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1194	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1195	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1196	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1197	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1198	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1199	C₆H₁₀	1,5-Hexadiene	c592427
1200	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1201	C₆H₁₀	1-Hexyne	hexyne1
1202	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1203	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1204	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1205	C₆H₁₀	2-Hexyne	c764352
1206	C₆H₁₀	3-Hexyne	hexyne3
1207	C₆H₁₀	cyclohexene	cyclohexene
1208	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1209	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1210	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1211	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1212	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1213	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1214	C₆H₁₂	(E)-2-Hexene	e2hexene
1215	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1216	C₆H₁₂	(E)-hex-3-ene	e3hexene
1217	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1218	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1219	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1220	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1221	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1222	C₆H₁₂	3-methylenepentane	c760214
1223	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1224	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1225	C₆H₁₂	Cyclohexane	cyclohexane
1226	C₆H₁₂	Cyclopentane, methyl-	c96377
1227	C₆H₁₂	Ethylcyclobutane	c4806615
1228	C₆H₁₂	hex-1-ene	hexene1
1229	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1230	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1231	C₆H₁₄	Hexane	hexane
1232	C₆H₁₄	Pentane, 2-methyl-	penta2
1233	C₆H₁₄	Pentane, 3-methyl-	penta3
1234	C₄N₂	2-Butynedinitrile	c4n2
1235	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1236	C₄H₂N₂	Fumaronitrile	c4h2n2
1237	C₂H₂N₄	sym-tetrazine	ttz
1238	C₃H₃N₃	1,3,5-Triazine	triazine135
1239	CH₃N₅	5-Aminotetrazole	c4418615
1240	C₄H₄N₂	1,3-Diazine	diazine13
1241	C₄H₄N₂	Pyrazine	pyrazine
1242	C₄H₄N₂	Pyridazine	pyridazine
1243	C₄H₄N₂	Succinonitrile	c110612
1244	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1245	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1246	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1247	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1248	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1249	C₅H₅N	Pyridine	pyridine
1250	B₃N₃H₆	borazine	borazine
1251	C₆H₆	Fulvene	fulvene
1252	C₅H₆N⁺	Pyridinium	c5h6n
1253	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1254	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1255	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1256	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1257	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1258	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1259	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1260	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1261	C₅H₉N	Pentanenitrile	c110598
1262	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1263	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1264	C₅H₁₁N	Cyclopentanamine	cypentam
1265	C₅H₁₁N	Piperidine	piper
1266	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1267	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1268	Li₂CO₃	Lithium Carbonate	li2co3
1269	Na₂CO₃	Sodium Carbonate	na2co3
1270	C₂O₄^--	oxalate anion	c2o4
1271	MgSO₄	Magnesium Sulfate	mgso4
1272	N₂O₄	Dinitrogen tetroxide	n2o4
1273	C₃H₂O₃	vinylene carbonate	vica
1274	C₂H₂O₄	Oxalic Acid	oxalic
1275	C₂H₃NO₃	Oxamic acid	oxamic
1276	C₄H₄O₂	2(5H)-Furanone	furanone
1277	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1278	C₂H₄N₂O₂	Oxalamide	oxalamide
1279	C₂H₄N₂S₂	Ethanedithioamide	c79403
1280	C₂H₄CO₃	Ethylene carbonate	etco3
1281	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1282	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1283	C₂H₄O₄	Formic acid dimer	fadimer
1284	C₄H₅NO	3-Methylisoxazole	isox3m
1285	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1286	C₄H₅NS	4-Methylthiazole	c693958
1287	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1288	C₅H₆O	2H-Pyran	pyran2
1289	C₅H₆O	2-methylfuran	furan2m
1290	C₅H₆O	3-Methylfuran	furan3m
1291	C₅H₆O	Pentadienal	pdal
1292	C₅H₆S	Thiophene, 2-methyl-	c554143
1293	C₅H₆S	Thiophene, 3-methyl-	c616444
1294	C₄H₆O₂	γ–Butyrolactone	c96480
1295	C₄H₆O₂	2,3-Butanedione	c431038
1296	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1297	C₄H₆O₂	Crotonic Acid	crot
1298	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1299	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1300	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1301	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1302	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1303	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1304	C₄H₆OS	Vinyl sulfoxide	c1115157
1305	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1306	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1307	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1308	C₃H₆O₃	1,3,5-Trioxane	trioxane
1309	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1310	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1311	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1312	C₄H₇NO	2-Pyrrolidinone	c616455
1313	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1314	C₄H₇NO	Methacrylamide	c79390
1315	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1316	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1317	C₃H₇ONO	Propyl nitrite	prono
1318	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1319	CH₃CH(NH₂)COOH	Alanine	alanine
1320	CH₃NHCH₂COOH	Sarcosine	sarcosine
1321	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1322	NH₂COOC₂H₅	Urethane	urethane
1323	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1324	C₅H₈O	Cyclopentanone	c120923
1325	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1326	C₅H₈O	Methyl cyclopropyl ketone	c765435
1327	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1328	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1329	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1330	C₄H₈O₂	1,3-Dioxane	dioxan13
1331	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1332	C₄H₈O₂	1,4-Dioxane	dioxan14
1333	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1334	C₄H₈O₂	Ethyl acetate	c141786
1335	C₄H₈OS	s-Ethyl thioacetate	c625605
1336	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1337	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1338	C₄H₉NO	Butanamide	c541355
1339	C₄H₉NO	Propanamide, 2-methyl-	c563837
1340	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1341	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1342	C₅H₁₀O	2-methylbutyraldehyde	2meba
1343	C₅H₁₀O	2-Pentanone	mpk
1344	C₅H₁₀O	3-Pentanone	dek
1345	C₅H₁₀O	Cyclopentanol	c96413
1346	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1347	C₅H₁₀O	Pentanal	pal
1348	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1349	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1350	C₅H₁₀S	Cyclopentanethiol	c1679078
1351	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1352	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1353	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1354	C₄H₁₀O₂	1,3-Butanediol	budiol13
1355	C₄H₁₀O₂	1,4-Butanediol	budiol14
1356	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1357	C₄H₁₀OS	Diethyl sulfoxide	c70291
1358	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1359	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1360	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1361	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1362	C₅H₁₂O	1-Pentanol	pentanol1
1363	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1364	C₅H₁₂O	2-Pentanol	peol2
1365	C₅H₁₂O	3-Pentanol	pentan3ol
1366	C₅H₁₂O	Butane, 1-methoxy-	meobu
1367	C₅H₁₂O	Propane, 1-ethoxy-	proet
1368	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1369	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1370	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1371	C₅H₁₂S	1-Pentanethiol	c110667
1372	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1373	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1374	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1375	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1376	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1377	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1378	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1379	C₄F₂	difluorobutadiyne	c4f2
1380	ClCOClCO	Oxalyl chloride	oxcl
1381	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1382	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1383	B₂F₄	Diboron tetrafluoride	b2f4
1384	B₂Cl₄	Diboron tetrachloride	b2cl4
1385	C₂F₄	Tetrafluoroethylene	c2f4
1386	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1387	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1388	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1389	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1390	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1391	C₂FCl₃	fluorotrichloroethene	c2fcl3
1392	C₂Cl₄	Tetrachloroethylene	c2cl4
1393	C₂Br₄	tetrabromoethene	c2br4
1394	CF₃OF	Trifluoromethylhypofluorite	cf3of
1395	SiF₅^-	silicon pentafluoride anion	sif5-
1396	SOF₄	Sulfur tetrafluoride oxide	sof4
1397	PF₅	Phosphorus pentafluoride	pf5
1398	AsF₅	Arsenic pentafluoride	asf5
1399	PCl₅	Phosphorus pentachloride	pcl5
1400	SF₅⁺	pentafluoro sulfur cation	sf5+
1401	SbCl₅	Antimony pentachloride	sbcl5
1402	BrF₅	bromine pentafluoride	brf5
1403	ClF₅	chlorinepentafluoride	clf5
1404	IF₅	pentafluoroiodine	if5
1405	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1406	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1407	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1408	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1409	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1410	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1411	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1412	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1413	CF₃COOH	trifluoroacetic acid	cf3cooh
1414	C₄H₃ClO	Furan, 2-chloro	fur2cl
1415	C₄H₃ClO	Furan,3-chloro	fur3cl
1416	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1417	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1418	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1419	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1420	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1421	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1422	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1423	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1424	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1425	C₄H₈O₂	Butanoic acid	bua
1426	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1427	C₆H₅CH₃	toluene	toluene
1428	C₇H₈	cycloheptatriene	cht
1429	C₇H₈	Norbornadiene	norbor
1430	C₇H₈	Quadricyclane	qucy
1431	C₇H₁₂	Norbornane	nor
1432	C₇H₁₄	cycloheptane	c7h14
1433	C₇H₁₆	2-methylhexane	2mhex
1434	C₇H₁₆	3-methylhexane	hex3m
1435	C₇H₁₆	heptane	heptane
1436	CH(CN)₃	tricyanomethane	mecn3
1437	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1438	C₆H₇N	2-Methylpyridine	mp
1439	C₆H₅NH₂	aniline	aniline
1440	C₆H₁₃N	2-Methylpiperidine	pip2m
1441	C₆H₁₅N	triethylamine	tea
1442	N₂O₅	Dinitrogen pentoxide	n2o5
1443	C₄H₂O₃	Maleic Anhydride	malan
1444	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1445	C₅H₄O₂	furfural	furfural
1446	C₅H₅NO	2(1H)-Pyridinone	c72762006
1447	C₅H₅NO	2(3H)-Pyridinone	c9000048
1448	C₅H₅NO	2(5H)-Pyridinone	c9000037
1449	C₅H₅NO	2-Pyridinol	c109104
1450	C₅H₅NO	3(2H)-Pyridinone	c9000004
1451	C₅H₅NO	3(4H)-Pyridinone	c9000026
1452	C₅H₅NO	3(6H)-Pyridinone	c9000015
1453	C₅H₅NO	3-Pyridinol	c109002
1454	C₅H₅NO	4(1H)-Pryidinone	c9000060
1455	C₅H₅NO	4(3H)-Pryidinone	c9000059
1456	C₅H₅NO	4-Pyridinol	c626642
1457	C₆H₅OH	phenol	phenol
1458	C₆H₆O	2,4-Cyclohexadienone	c24599573
1459	C₆H₆O	2,5-Cyclohexadienone	c5664335
1460	C₆H₅SH	Benzenethiol	phsh
1461	HO₂CCHNH₂CH₂OH	Serine	serine
1462	C₅H₈O₂	Acetylacetone	acac
1463	C₄H₈O₂S	Sulfolane	sulfolane
1464	C₇H₁₀	Norbornene	norbornene
1465	CH(C₂H₃)₃	trivinyl methane	tvm
1466	C₆H₁₀O	cyclohexanone	chexo
1467	C₆H₁₂O	hexanal	c6h12o
1468	C₆H₁₂O	Oxepane	oxepane
1469	C₃H₇OC₃H₇	di-n-propyl ether	propr
1470	F₂CCCF₂	tetrafluoroallene	pfa
1471	CF₃COO^-	trifluoro acetate anion	cf3coo-
1472	CF₃COF	trifluoroacetyl fluoride	cf3cof
1473	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1474	PF₆^-	Hexafluorophosphate ion	pf6-
1475	SF₆	Sulfur Hexafluoride	sf6
1476	SeF₆	Selenium hexafluoride	sef6
1477	SF₅Cl	sulfur chloropentafluoride	sf5cl
1478	CF₃CHF₂	pentafluoroethane	cf3chf2
1479	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1480	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1481	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1482	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1483	C₆H₅F	Fluorobenzene	bzf
1484	C₆H₅Cl	chlorobenzene	bzcl
1485	C₆H₅Br	bromobenzene	bzbr
1486	C₈H₆	Calicene	calicene
1487	C₆H₅CCH	phenylacetylene	phac
1488	C₈H₆	benzocyclobutadiene	bcbd
1489	C₈H₆	Pentalene	pentalene
1490	C₆H₅CHCH₂	Styrene	styrene
1491	C₈H₈	cubane	cubane
1492	C₈H₈	cyclooctatetraene	cot
1493	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1494	CH₃C₆H₄CH₃	meta-xylene	mxylene
1495	CH₃C₆H₄CH₃	paraxylene	pxylene
1496	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1497	C₈H₁₆	cyclooctane	cyclooct
1498	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1499	C₈H₁₈	Octane	c8h18
1500	C₆H₅CN	phenyl cyanide	phcn
1501	C₆H₁₂N₂	Triethylenediamine	ted
1502	C₄O₄^--	squarate dianion	c4o4--
1503	S₄N₄	Tetrasulfur tetranitride	s4n4
1504	S₈	Octasulfur	s8
1505	C₆H₄O₂	parabenzoquinone	pbq
1506	C₄H₄N₂O₂	Uracil	uracil
1507	C₆H₅CHO	benzaldehyde	benzal
1508	C₆H₅OCH₃	Anisole	anisole
1509	C₅H₉NO₂	Proline	proline
1510	C₄F₄	tetrafluorcyclobutadiene	c4f4
1511	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
1512	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1513	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1514	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1515	C₂F₆	hexafluoroethane	c2f6
1516	C₂Cl₆	hexachloroethane	c2cl6
1517	IF₇	Iodine heptafluoride	if7
1518	C₆H₄F₂	metadifluorobenzene	mdfb
1519	C₆H₄F₂	orthodifluorobenzene	odfb
1520	C₆H₄F₂	1,4-difluorobenzene	pdfb
1521	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
1522	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
1523	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
1524	C₆H₅NO	nitrosobenzene	bzno
1525	C₉H₈	Indene	indene
1526	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
1527	C₉H₁₂	n-propyl benzene	prbz
1528	C₉H₂₀	Nonane	nonane
1529	C(CN)₄	tetracyanomethane	c5n4
1530	C₅H₄N₄	purine	purine
1531	C₈H₇N	Indole	indole
1532	C₃H₃N₃O₃	cyanuric acid	cyanuric
1533	C₆H₅NO₂	Nitrobenzene	c6h5no2
1534	C₆H₅COOH	benzoic acid	benzo
1535	CH₃COC₆H₅	acetophenone	acph
1536	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1537	C₃F₆	hexafluoropropene	c3f6
1538	C₆H₃F₃	Benzene trifluoride 123	bzf3a
1539	C₈H₁₈O	1-Octanol	octanol
1540	C₁₀H₈	Azulene	azu
1541	C₁₀H₈	naphthalene	naph
1542	C₁₀H₁₀	bullvalene	bullv
1543	C₁₀H₁₆	adamantane	adamantane
1544	C₆N₄	Tetracyanoethylene	tcne
1545	C₆N₄^-	tetracyanoethylene anion	tcne-
1546	C₁₀H₂₂	Decane	decane
1547	C₄F₆	perfluorobutadiene	c4f6
1548	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1549	C₃F₈	perfluoropropane	c3f8
1550	Fe(CO)₅	Iron pentacarbonyl	ipc
1551	Fe(C₅H₅)₂	ferrocene	fecp2
1552	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1553	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1554	C₁₂H₈	Acenaphthylene	acenaph
1555	C₁₂H₈	biphenylene	biph
1556	C₁₂H₁₀	biphenyl	biphenyl
1557	C₁₂H₁₀	Heptalene	heptalene
1558	C₆H₁₂O₆	Inositol	inositol
1559	C₆F₆	hexafluorobenzene	c6f6
1560	S₂F₁₀	disulphur decafluoride	s2f10
1561	C₁₃H₁₀	Fluorene	fluorene
1562	C₁₄H₁₀	Anthracene	anth
1563	C₁₄H₁₀	Phenanthrene	phenanthrene
1564	C₁₄H₁₄	Bibenzyl	bibenzyl
1565	C₁₂H₁₀N₂	azobenzene	azobenzene
1566	C₆H₅COC₆H₅	benzophenone	benzophenone
1567	C₁₆H₁₀	Pyrene	pyrene
1568	C₁₈H₁₂	Tetracene	tetracene
1569	C₁₉H₁₆	Triphenylmethane	tpm
1570	C₂₄H₁₂	Coronene	coronene
1571	C₆₀	Buckminsterfullerene	c60

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities