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

List of which calculations are completed at QCISD /cc-pCVDZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H⁺	Hydrogen atom cation		K_h
3	He	Helium atom	¹S	K_h
4	Li	Lithium atom	²S	K_h
5	Na⁺	Sodium atom cation	¹S	K_h
6	K	Potassium atom	²S	K_h
7	Cu	Copper atom	²S	K_h
8	Be	Beryllium atom	¹S	K_h
9	Mg	Magnesium atom	¹S	K_h
10	Ca	Calcium atom	¹S	K_h
11	Zn	Zinc atom	¹S	K_h
12	BeH	beryllium monohydride	²Σ	C_∞v
13	B	Boron atom	²P	K_h
14	Al	Aluminum atom	²P	K_h
15	C	Carbon atom	³P₀	K_h
16	Si	Silicon atom	³P	K_h
17	Ti	Titanium atom	³F	K_h
18	CH₄	Methane	¹A₁	T_d
19	P	Phosphorus atom	⁴S	K_h
20	O	Oxygen atom	³S	K_h
21	S	Sulfur atom	³P	K_h
22	Se	Selenium atom	³P	K_h
23	HS	Mercapto radical	²Π	C_∞v
24	H₂O	Water	¹A₁	C_2v
25	H₂S	Hydrogen sulfide	¹A₁	C_2v
26	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
27	H₃S⁺	Sulfonium cation	¹A₁	C_3v
28	F^-	Fluorine atom anion	¹S	K_h
29	Cl^-	Chlorine atom anion	¹S	K_h
30	HCl	Hydrogen chloride	¹Σ	C_∞v
31	HCl⁺	hydrogen chloride cation	²Π	C_∞v
32	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
33	Ne	Neon atom	¹S	K_h
34	Ar	Argon atom	¹S	K_h
35	Li₂	Lithium diatomic	¹Σ_g	D_∞v
36	Na₂	Sodium diatomic	¹Σ_g	D_∞h
37	LiB	Lithium boride	³Π	C_∞v
38	C₂H₄	Ethylene	¹A_g	D_2h
39	Si₂H₆	disilane	¹E_u	D_3d
40	AlN	Aluminum nitride	³Π_i	C_∞v
41	CN	Cyano radical	²Σ	C_∞v
42	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
43	HCN	Hydrogen cyanide	¹Σ	C_∞v
44	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
45	CaS	Calcium sulfide	¹Σ	C_∞v
46	BO	boron monoxide	²Σ	C_∞v
47	CO	Carbon monoxide	¹Σ	C_∞v
48	CO^-	carbon monoxide anion	²Π	C_∞v
49	CO⁺	carbon monoxide cation	²Σ	C_∞v
50	NO	Nitric oxide	²Π	C_∞v
51	NS	Mononitrogen monosulfide	²Π	C_∞v
52	PO	Phosphorus monoxide	²Π	C_∞v
53	O₂	Oxygen diatomic	³Σ_g	D_∞h
54	SO	Sulfur monoxide	³Σ	C_∞v
55	CH₃SH	Methanethiol	¹A^'	C_s
56	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
57	LiF	lithium fluoride	¹Σ	C_∞v
58	LiCl	lithium chloride	¹Σ	C_∞v
59	NaF	sodium fluoride	¹Σ	C_∞v
60	NaCl	Sodium Chloride	¹Σ	C_∞v
61	NCl	nitrogen monochloride	³Σ	C_∞v
62	ClO	Monochlorine monoxide	²Π	C_∞v
63	SCl	sulfur monochloride	²Π	C_∞v
64	F₂	Fluorine diatomic	¹Σ_g	D_∞h
65	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
66	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
67	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
68	HOCl	hypochlorous acid	¹A^'	C_s
69	CH₃Cl	Methyl chloride	¹A₁	C_3v
70	Si₃H₈	trisilane
71	CO₂	Carbon dioxide	¹Σ_g	D_∞h
72	NSO	sulfinyl amidogen
73	SNO	Nitrogen oxide sulfide
74	BH₃CO	Borane carbonyl	¹A₁	C_3v
75	FNS	Thionitrosyl fluoride	¹A^'	C_s
76	FSN	Thiazyl fluoride	¹A^'	C_s
77	OClO	Chlorine dioxide	²B₁	D_∞h
78	ClSO	Sulfur chloride oxide	²A^"	C_s
79	FClO	chlorosyl fluoride	¹A^'	C_s
80	ClOF	Chlorine hypofluorite	¹A^'	C_s
81	S₂N₂	Disulfur dinitride	¹A_G	D_2h
82	BF₃	Borane, trifluoro-	¹A^'	D_3h
83	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
84	ClO₂F	Chloryl fluoride	¹A^'	C_s
85	HClO₄	perchloric acid	¹A	C_s
86	SiF₅^-	silicon pentafluoride anion

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H^-	Hydrogen atom anion	h-
5	D₂	Deuterium diatomic	d2
6	H₂	Hydrogen diatomic	h2
7	H₂^-	hydrogen diatomic anion	h2-
8	H₂⁺	Hydrogen cation	h2+
9	HD	Deuterium hydride	hd
10	H₃⁺	hydrogen trimer cation	h3+
11	He^-	Helium atom anion	he-
12	He⁺	Helium atom cation	he+
13	HeH	Helium hydride	heh
14	HeH⁺	Helium hydride cation	heh+
15	He₂⁺	helium diatomic cation	he2+
16	Li^-	Lithium atom anion	li-
17	Li⁺	Lithium atom cation	li+
18	Na	Sodium atom	na
19	Na^-	Sodium atom anion	na-
20	K^-	Potassium atom anion	k-
21	K⁺	Potassium atom cation	k+
22	Cu^-	Copper atom anion	cu-
23	Cu⁺	Copper atom cation	cu+
24	LiH	Lithium Hydride	lih
25	LiH^-	lithium hydride anion	lih-
26	LiH⁺	lithium hydride cation	lih+
27	NaH	sodium hydride	nah
28	NaH^-	sodium hydride anion	nah-
29	NaH⁺	sodium hydride cation	nah+
30	KH	Potassium hydride	kh
31	KH⁺	Potassium hydrogen cation	kh+
32	CuH	Copper monohydride	cuh
33	Be^-	Beryllium atom anion	be-
34	Be⁺	Beryllium atom cation	be+
35	Mg^-	Magnesium atom anion	mg-
36	Mg⁺	Magnesium atom cation	mg+
37	Ca^-	Calcium atom anion	ca-
38	Ca⁺	Calcium atom cation	ca+
39	Zn^-	Zinc atom anion	zn-
40	Zn⁺	Zinc atom cation	zn+
41	BeH^-	berylium monohydride anion	beh-
42	BeH⁺	beryllium monohydride cation	beh+
43	MgH	magnesium monohydride	mgh
44	MgH^-	magnesium monohydride anion	mgh-
45	MgH⁺	magnesium monohydride cation	mgh+
46	CaH	Calcium monohydride	cah
47	CaH⁺	Calcium monohydride cation	cah+
48	TiH	Titanium monohydride	tih
49	ZnH	Zinc monohydride	znh
50	ZnH⁺	Zinc, protonated	znh+
51	BeH₂	beryllium dihydride	beh2
52	BeH₂⁺	Beryllium dihydride cation	beh2+
53	MgH₂	magnesium dihydride	mgh2
54	CaH₂	Calcium Hydride	cah2
55	ZnH₂	Zinc hydride	znh2
56	B^-	Boron atom anion	b-
57	B⁺	Boron atom cation	b+
58	Al^-	Aluminum atom anion	al-
59	Al⁺	Aluminum atom cation	al+
60	Sc	Scandium atom	sc
61	Sc⁺	Scandium cation	sc+
62	Ga	Gallium atom	ga
63	Ga^-	Gallium atom anion	ga-
64	Ga⁺	Gallium atom cation	ga+
65	BH	Boron monohydride	bh
66	BH^-	boron monohydride anion	bh-
67	BH⁺	boron monohydride cation	bh+
68	AlH	aluminum monohydride	alh
69	AlH^-	aluminum monohydride anion	alh-
70	AlH⁺	aluminum monohydride cation	alh+
71	ScH	Scandium monohydride	sch
72	ScH⁺	Scandium monohydride cation	sch+
73	GaH	Gallium monohydride	gah
74	GaH⁺	Gallium monohydride cation	gah+
75	BH₂	boron dihydride	bh2
76	BH₂^-	boron dihydride anion	bh2-
77	BH₂⁺	Boron dihydride cation	bh2+
78	AlH₂	aluminum dihydride	alh2
79	AlH₂^-	aluminum dihydride anion	alh2-
80	AlH₂⁺	aluminum dihydride cation	alh2+
81	BH₃	boron trihydride	bh3
82	BH₃^-	boron trihydride anion	bh3-
83	BH₃⁺	boron trihydride cation	bh3+
84	AlH₃	aluminum trihydride	alh3
85	AlH₃^-	aluminum trihydride anion	alh3-
86	AlH₃⁺	aluminum trihydride cation	alh3+
87	ScH₃	Scandium trihydride	sch3
88	GaH₃	Gallium trihydride	gah3
89	BH₄	borohydride	bh4
90	BH₄^-	borohydride anion	bh4-
91	AlH₄^-	Aluminum tetrahydride anion	alh4-
92	C^-	Carbon atom anion	c-
93	C⁺	Carbon atom cation	c+
94	Si^-	Silicon atom anion	si-
95	Si⁺	Silicon atom cation	si+
96	Ti^-	Titanium atom anion	ti-
97	Ti⁺	Titanium atom cation	ti+
98	Ge	Germanium atom	ge
99	Ge^-	Germanium anion	ge-
100	Ge⁺	Germanium cation	ge+
101	Sn	Tin atom	sn
102	Sn⁺	Tin cation	sn+
103	CH	Methylidyne	ch
104	CH^-	methylidyne anion	ch-
105	CH⁺	Methylidyne cation	ch+
106	SiH	Silylidyne	sih
107	SiH^-	silicon monohydride anion	sih-
108	SiH⁺	silicon monohydride cation	sih+
109	GeH	germylidene	geh
110	GeH⁺	Germaniun monohyrdide cation	geh+
111	CH₂	Methylene	ch2
112	CH₂^-	methylene anion	ch2-
113	CH₂⁺	methylene cation	ch2+
114	SiH₂	silicon dihydride	sih2
115	SiH₂^-	silicon dihydride anion	sih2-
116	SiH₂⁺	silicon dihydride cation	sih2+
117	GeH₂	germylene	geh2
118	GeH₂^-	germylene anion	geh2-
119	CH₃	Methyl radical	ch3
120	CH₃^-	methyl anion	ch3-
121	CH₃⁺	methyl cation	ch3+
122	SiH₃	Silyl radical	sih3
123	SiH₃^-	Silyl anion	sih3-
124	SiH₃⁺	Silyl cation	sih3+
125	GeH₃	Germyl radical	geh3
126	GeH₃⁺	germyl cation	geh3+
127	CD₄	methane-d4	cd4
128	CH₂D₂	methane-d2	ch2d2
129	CH₃D	methane-d	ch3d
130	CH₄^-	Methane anion	ch4-
131	CH₄⁺	Methane cation	ch4+
132	CHD₃	methane-d3	chd3
133	SiH₂D₂	silane-d2	sih2d2
134	SiH₄	Silane	sih4
135	SiH₄⁺	Silane cation	sih4+
136	GeH₄	Germane	geh4
137	SnH₄	Stannane	snh4
138	SiH₅⁺	Silane, protonated	sih5+
139	N	Nitrogen atom	n
140	N^-	Nitrogen atom anion	n-
141	N⁺	Nitrogen atom cation	n+
142	P^-	Phosphorus atom anion	p-
143	P⁺	Phosphorus atom cation	p+
144	V	Vanadium atom	v
145	V⁺	Vanadium atom cation	v+
146	As	Arsenic atomic	as
147	As^-	Arsenic anion	as-
148	As⁺	Arsenic cation	as+
149	Sb	Antimony atom	sb
150	NH	Imidogen	nh
151	NH^-	Imidogen anion	nh-
152	NH⁺	imidogen cation	nh+
153	PH	phosphorus monohydride	ph
154	PH^-	phosphorus monohydride anion	ph-
155	PH⁺	phosphorus monohydride cation	ph+
156	AsH	Arsenic monohydride	ash
157	AsH⁺	Arsenic monohydride cation	ash+
158	SbH	Antimony monohydride	sbh
159	ND₂	Amidogen-d2	nd2
160	NH₂	Amino radical	nh2
161	NH₂^-	amino anion	nh2-
162	NH₂⁺	Amino cation	nh2+
163	PH₂	Phosphino radical	ph2
164	PH₂^-	Phosphino anion	ph2-
165	PH₂⁺	Phosphino cation	ph2+
166	AsH₂	Arsenic dihydride	ash2
167	AsH₂⁺	Arsenic dihydride cation	ash2+
168	ND₃	Ammonia-d3	nd3
169	NH₃	Ammonia	nh3
170	NH₃^-	Ammonia anion	nh3-
171	NH₃⁺	ammonia cation	nh3+
172	PH₃	Phosphine	ph3
173	PH₃⁺	Phosphine cation	ph3+
174	AsH₃	Arsine	ash3
175	AsH₃⁺	Arsine cation	ash3+
176	SbH₃	Stibine	sbh3
177	AsH₄⁺	Arsonium	ash4+
178	NH₄	Ammonium radical	nh4
179	NH₄⁺	ammonium cation	nh4+
180	PH₄	Phosphoranyl radical	ph4
181	PH₄⁺	phosphonium cation	ph4+
182	O^-	Oxygen atom anion	o-
183	O⁺	Oxygen atom cation	o+
184	S^-	Sulfur atom anion	s-
185	S⁺	Sulfur atom cation	s+
186	Cr	Chromium atom	cr
187	Se^-	Selenium atom anion	se-
188	Se⁺	Selenium atom cation	se+
189	Te	Tellurium atom	te
190	Te⁺	Tellurium atom cation	te+
191	DO	Hydroxyl-d	od
192	OH	Hydroxyl radical	oh
193	OH^-	hydroxide anion	oh-
194	OH⁺	hydoxyl cation	oh+
195	DS	Mercapto-d	ds
196	HS^-	mercapto anion	sh-
197	HS⁺	sulfur monohydride cation	sh+
198	CrH	Chromium hydride	crh
199	CrH⁺	Chromium hydride cation	crh+
200	HSe	Selenium monohydride	hse
201	HSe^-	selenium monohydride anion	hse-
202	HSe⁺	selenium monohydride cation	hse+
203	TeH	Telluryl radical	teh
204	D₂O	Deuterium oxide	d2o
205	H₂O^-	water anion	h2o-
206	H₂O⁺	water cation	h2o+
207	HDO	Water-d1	hdo
208	D₂S	Hydrogen sulfide-d2	d2s
209	H₂S^-	Hydrogen sulfide anion	h2s-
210	H₂Se	Hydrogen selenide	h2se
211	H₂Se⁺	Hydrogen selenide cation	h2se+
212	H₂Te	Hydrogen Telluride	h2te
213	H₃O⁺	hydronium cation	h3o+
214	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
215	F	Fluorine atom	f
216	F⁺	Fluorine atom cation	f+
217	Cl	Chlorine atom	cl
218	Cl⁺	Chlorine atom cation	cl+
219	Mn	Manganese atom	mn
220	Br	Bromine atom	br
221	Br^-	Bromine atom anion	br-
222	Br⁺	Bromine atom cation	br+
223	I	Iodine atom	iodine
224	I^-	Iodine atom anion	iodine-
225	I⁺	Iodine atom cation	iodine+
226	DF	Hydrofluoric acid-d	df
227	HF	Hydrogen fluoride	hf
228	HF^-	hydrogen fluoride anion	hf-
229	HF⁺	hydrogen fluoride cation	hf+
230	DCl	Hydrochloric acid-d	dcl
231	HCl^-	hydrogen chloride anion	hcl-
232	HBr	hydrogen bromide	hbr
233	HBr^-	hydrogen bromide anion	hbr-
234	HBr⁺	hydrogen bromide cation	hbr+
235	HI	Hydrogen iodide	hi
236	HI⁺	Hydrogen iodide cation	hi+
237	H₂F⁺	dihydrogen fluoride cation	h2f+
238	H₂Br⁺	protonated hydrogen bromide	h2br+
239	H₂I⁺	Iodonium	h2i+
240	Ne^-	Neon atom anion	ne-
241	Ne⁺	Neon atom cation	ne+
242	Ar^-	Argon atom anion	ar-
243	Ar⁺	Argon atom cation	ar+
244	Fe	Iron atom	fe
245	Kr	Krypton atom	kr
246	Kr⁺	Krypton cation	kr+
247	Xe	Xenon atom	xe
248	HeLi⁺	Helium Lithium cation	heli+
249	NeH	neon hydrogen	neh
250	NeH⁺	neon hydrogen cation	neh+
251	ArH⁺	Argon hydride cation	arh+
252	KrH⁺	Protonated Krypton	krh+
253	XeH⁺	Xenon, protonated	xeh+
254	H₂Ar	H2 Ar dimer	h2ar
255	Co	Cobalt atom	cobalt
256	Ni	Nickel atom	ni
257	Li₂^-	lithium diatomic anion	li2-
258	Li₂⁺	lithium diatomic cation	li2+
259	NaLi	lithium sodium	lina
260	NaLi^-	lithium sodium anion	lina-
261	NaLi⁺	lithium sodium cation	lina+
262	LiK	Lithium Potassium	lik
263	Na₂^-	sodium diatomic anion	na2-
264	Na₂⁺	sodium diatomic cation	na2+
265	NaK	Sodium Potassium	nak
266	NaK⁺	Sodium Potassium diatomic cation	nak+
267	K₂	Potassium diatomic	k2
268	Cu₂	Copper diatomic	cu2
269	LiBe	Lithium Beryllium	libe
270	LiMg	Lithium magnesium	limg
271	NaBe	Sodium Beryllium	nabe
272	NaMg	Sodium Magnesium	namg
273	Be₂	Beryllium diatomic	be2
274	Be₂^-	Beryllium diatomic anion	be2-
275	Be₂⁺	Beryllium diatomic cation	be2+
276	BeMg	Beryllium Magnesium	bemg
277	Mg₂	Magnesium diatomic	mg2
278	Mg₂^-	magnesium diatomic anion	mg2-
279	Mg₂⁺	magnesium diatomic cation	mg2+
280	Ca₂	Calcium diatomic	ca2
281	LiAl	Lithium Aluminum	lial
282	NaAl	Sodium aluminum	naal
283	BeB	Beryllium monoboride	beb
284	B₂	Boron diatomic	b2
285	B₂^-	Boron diatomic anion	b2-
286	B₂⁺	Boron diatomic cation	b2+
287	BAl	Boron Aluminum	bal
288	Al₂	Aluminum diatomic	al2
289	Al₂^-	aluminum diatomic anion	al2-
290	Al₂⁺	aluminum diatomic cation	al2+
291	BGa	Boron Gallium	bga
292	AlGa	Aluminum Gallium	alga
293	Ga₂	Gallium diatomic	ga2
294	HBBH	Diborane(2)	hbbh
295	LiBH₄	Lithium borohydride	libh4
296	B₂H₄	Diborane(4) D2d	b2h4
297	HBHHBH	Diborane(4) C2V	hbhhbh
298	B₂H₆	Diborane	b2h6
299	B₂H₆⁺	Diborane cation	b2h6
300	Al₂H₆	dialane	al2h6
301	Ga₂H₆	digallane	ga2h6
302	LiC	Lithium Carbide	lic
303	BeC	Beryllium Carbide	bec
304	CaC	Calcium monocarbide	cac
305	BC	boron monocarbide	bc
306	BC^-	boron monocarbide anion	bc-
307	BC⁺	boron monocarbide cation	bc+
308	AlC	Aluminum carbide	alc
309	BSi	Boron silicide	bsi
310	C₂	Carbon diatomic	c2
311	C₂^-	carbon diatomic anion	c2-
312	C₂⁺	carbon diatomic cation	c2+
313	SiC	silicon monocarbide	sic
314	SiC^-	silicon monocarbide anion	sic-
315	SiC⁺	silicon monocarbide cation	sic+
316	Si₂	Silicon diatomic	si2
317	Si₂^-	silcon diatomic anion	si2-
318	Si₂⁺	silcon diatomic cation	si2+
319	GeC	Germanium monocarbide	gec
320	SiGe	Silicon Germanium	sige
321	Ge₂	Germanium diatomic	ge2
322	C₂H	Ethynyl radical	c2h
323	C₂H^-	Ethynyl anion	c2h-
324	C₂H⁺	Ethynyl cation	c2h+
325	ZnCH₂	Zinc methylene	znch2
326	C₂H₂	Acetylene	c2h2
327	C₂H₂⁺	acetylene cation	c2h2+
328	CCH₂	vinylidene	vinylidene
329	H₂CC^-	vinylidene anion	h2cc-
330	HCCH^-	acetylene anion	c2h2-
331	Si₂H₂	disilyne	si2h2
332	CH₃Li	methyl lithium	ch3li
333	CuCH₃	monomethyl copper	cuch3
334	ZnCH₃	Zinc monomethyl	znch3
335	CH₂BH	methyleneborane	ch2bh
336	C₂H₃	vinyl	c2h3
337	C₂H₃^-	vinyl anion	c2h3-
338	C₂H₃⁺	vinyl cation	c2h3+
339	C₂H₄^-	Ethylene anion	c2h4-
340	C₂H₄⁺	Ethylene cation	c2h4+
341	CH₃CH	methylmethylene	ch3ch
342	CH₂SiH₂	silaethylene	ch2sih2
343	Si₂H₄	Disilene	si2h4
344	CH₃BH₂	methylborane	ch3bh2
345	C₂H₅	Ethyl radical	c2h5
346	C₂H₅^-	Ethyl anion	c2h5-
347	C₂H₅⁺	Ethyl cation	c2h5+
348	C₂H₆	Ethane	c2h6
349	C₂H₆⁺	ethane cation	c2h6+
350	CH₃SiH₃	methyl silane	ch3sih3
351	GeH₃CH₃	methyl germane	geh3ch3
352	C₂H₇⁺	Ethane, protonated	c2h7+
353	LiN	Lithium Nitride	lin
354	LiN⁺	Lithium Nitride cation	lin+
355	LiP	Lithium monophosphide	lip
356	BeN	Beryllium mononitride	ben
357	BeN^-	Beryllium mononitride anion	ben-
358	BeN⁺	Beryllium mononitride cation	ben+
359	MgN	Magnesium Nitride	mgn
360	BN^-	boron nitride anion	bn-
361	AlN^-	aluminum mononitride anion	aln-
362	AlN⁺	aluminum mononitride cation	aln+
363	BP	Boron monophosphide	bp
364	AlP	Aluminum monophosphide	alp
365	GaN	Gallium mononitride	gan
366	GaP	Gallium monophosphide	gap
367	GaAs	Gallium arsenide	gaas
368	BN	boron nitride	bn
369	BN⁺	boron nitride cation	bn+
370	CN^-	cyanide anion	cn-
371	CN⁺	Cyano cation	cn+
372	CP	Carbon monophosphide	cp
373	CP^-	carbon monophosphide anion	cp-
374	CP⁺	carbon monophosphide cation	cp+
375	SiN	Silicon nitride	sin
376	SiN^-	silicon mononitride anion	sin-
377	SiN⁺	silicon mononitride cation	sin+
378	SiP	Silicon monophosphide	sip
379	SiP^-	Silicon monophosphide anion	sip-
380	SiP⁺	Silicon monophosphide cation	sip+
381	TiN	Titanium mononitride	tin
382	N₂^-	nitrogen diatomic anion	n2-
383	N₂⁺	diatomic nitrogen cation	n2+
384	PN	Phosphorus mononitride	pn
385	PN^-	phosphorus nitride anion	pn-
386	PN⁺	phosphorus nitride cation	pn+
387	P₂	Phosphorus diatomic	p2
388	P₂^-	phosphorus diatomic anion	p2-
389	P₂⁺	phosphorus diatomic cation	p2+
390	AsN	Arsenic mononitride	asn
391	AsP	Arsenic monophosphide	asp
392	SbN	Antimony nitride	sbn
393	As₂	Arsenic diatomic	as2
394	HNB	hydrogen nitrogen boron	hnb
395	HNC	hydrogen isocyanide	hnc
396	HCN^-	Hydrogen cyanide anion	hcn-
397	HCN⁺	hydrogen cyanide cation	hcn+
398	HNC⁺	hydrogen isocyanide cation	hnc+
399	HCP	Phosphaethyne	hcp
400	HCP⁺	Phosphaethyne cation	hcp+
401	NNH	Dinitrogen monohydride	nnh
402	HPO	Hydrogen phosphorus oxide	hpo
403	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
404	LiNH₂	lithium amide	linh2
405	HBNH	Boranimine	hbnh
406	CNH₂	Aminomethylidyne radical	cnh2
407	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
408	H₂CN	Dihydrogen cyanide radical	h2cn
409	H₂CN⁺	hydrocyanonium cation	h2cn+
410	HCNH	methyleneazane	hcnh
411	HCNH⁺	N-protonated HCN	hcnh+
412	H₂NN	Isodiazene	h2nn
413	N₂H₂	(E)-diazene	n2h2
414	N₂H₂	(Z)-Diazene	n2h2z
415	N₂H₂⁺	trans-diazene cation	n2h2+
416	CH₂NH	Methanimine	ch3n
417	CH₂NH⁺	Methanimine cation	ch2nh+
418	CHNH₂	aminomethylene	chnh2
419	CHNH₂⁺	Aminocarbene cation	chnh2+
420	CH₂PH	Phosphaethene	ch3p
421	BH₂NH₂	Boranamine	bh2nh2
422	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
423	N₂H₄	Hydrazine	n2h4
424	N₂H₄⁺	hydrazine cation	n2h4+
425	P₂H₄	Diphosphine	p2h4
426	CH₃NH₂	methyl amine	ch3nh2
427	CH₃NH₂⁺	methyl amine cation	ch3nh2+
428	CH₃PH₂	Methyl phosphine	ch3ph2
429	SiH₃NH₂	Silane, amino	sih3nh2
430	N₂H₅⁺	protonated hydrazine	n2h5+
431	BH₃PH₃	borane phosphine	bh3ph3
432	BH₃NH₃	borane ammonia	bh3nh3
433	CH₃NH₃	methyl ammonium radical	ch3nh3
434	CH₃NH₃⁺	protonated methylamine	ch3nh3+
435	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
436	NH₃NH₃	Ammonia Dimer	nh3nh3
437	N₂H₇⁺	ammonia ammonium dimer	n2h7+
438	LiO	lithium oxide	lio
439	LiO^-	lithium oxide anion	lio-
440	LiO⁺	lithium oxide cation	lio+
441	LiS	Lithium monosulfide	lis
442	LiS⁺	Lithium sulfide cation	lis+
443	NaO	sodium monoxide	nao
444	NaO^-	sodium oxide anion	nao-
445	NaO⁺	sodium oxide cation	nao+
446	KO	Potassium monoxide	ko
447	KO⁺	Potassium monoxide cation	ko+
448	NaS	Sodium sulfide	nas
449	CuO	Copper Monoxide	cuo
450	LiSe	Lithium monoselenide	lise
451	BeO	beryllium oxide	beo
452	BeO^-	Beryllium monoxide anion	beo-
453	BeO⁺	Beryllium monoxide cation	beo+
454	BeS	beryllium sulfide	bes
455	MgO	magnesium oxide	mgo
456	MgO^-	magnesium oxide anion	mgo-
457	MgO⁺	magnesium oxide cation	mgo+
458	CaO	Calcium monoxide	cao
459	MgS	magnesium sulfide	mgs
460	MgS^-	magnesium sulfide anion	mgs-
461	MgS⁺	magnesium sulfide cation	mgs+
462	ZnO	zinc monoxide	zno
463	ZnS	Zinc sulfide	zns
464	BeS^-	Beryllium monosulfide anion	bes-
465	BeS⁺	Beryllium monosulfide cation	bes+
466	BO^-	boron monoxide anion	bo-
467	AlO	Aluminum monoxide	alo
468	AlO^-	Aluminum monoxide anion	alo-
469	AlO⁺	aluminum monoxide cation	alo+
470	BS	boron sulfide	bs
471	BS^-	boron monosulfide anion	bs-
472	BS⁺	boron monosulfide cation	bs+
473	AlS	Aluminum sulfide	als
474	AlS^-	aluminum monosulfide anion	als-
475	AlS⁺	aluminum monosulfide cation	als+
476	ScO	Scandium monoxide	sco
477	GaO	Gallium monoxide	gao
478	GaS	Gallium monosulfide	gas
479	BO⁺	boron monoxide cation	bo+
480	CS	carbon monosulfide	cs
481	CS^-	carbon monosulfide anion	cs-
482	CS⁺	carbon monosulfide cation	cs+
483	SiO	Silicon monoxide	sio
484	SiO^-	silicon monoxide anion	sio-
485	SiO⁺	silicon monoxide cation	sio+
486	SiS	silicon monosulfide	sis
487	SiS^-	silicon monosulfide anion	sis-
488	SiS⁺	silicon monosulfide cation	sis+
489	TiO	Titanium monoxide	tio
490	CSe	Carbon monoselenide	cse
491	CSe^-	Carbon monoselenide anion	cse-
492	CSe⁺	Carbon monoselenide cation	cse+
493	GeO	Germanium monoxide	geo
494	GeO⁺	Germanium monoxide cation	geo+
495	GeS	Germanium monosulfide	ges
496	SiSe	Silicon Monoselenide	sise
497	SiSe⁺	Silicon Monoselenide cation	sise+
498	GeSe	Germanium monoselenide	gese
499	NO^-	nitric oxide anion	no-
500	NO⁺	nitric oxide cation	no+
501	NS^-	nitrogen sulfide anion	ns-
502	NS⁺	nitrogen sulfide cation	ns+
503	PO^-	phosphorus monoxide anion	po-
504	PO⁺	phosphorus monoxide cation	po+
505	PS	phosphorus sulfide	ps
506	PS^-	phosphorus monosulfide anion	ps-
507	PS⁺	phosphorus monosulfide cation	ps+
508	VO	Vanadium monoxide	vo
509	AsO	Arsenic monoxide	aso
510	NSe	Nitrogen monoselenide	nse
511	AsS	Arsenic monosulfide	ass
512	PSe	Phosphorus monoselenide	pse
513	AsSe	Arsenic monoselenide	asse
514	O₂^-	oxygen diatomic anion	o2-
515	O₂^--	dioxygen dianion	o2--
516	O₂⁺	diatomic oxygen cation	o2+
517	SO^-	sulfur monoxide anion	so-
518	SO⁺	sulfur monoxide cation	so+
519	S₂	Sulfur diatomic	s2
520	S₂^-	sulfur diatomic anion	s2-
521	S₂⁺	sulfur diatomic cation	s2+
522	SeO	Selenium monoxide	seo
523	SeO^-	selenium monoxide anion	seo-
524	SeO⁺	selenium monoxide cation	seo+
525	SeS	Selenium monosulfide	ses
526	SeS^-	selenium monosulfide anion	ses-
527	SeS⁺	selenium monosulfide cation	ses+
528	TeO	Tellurium monoxide	teo
529	Se₂	Selenium diatomic	se2
530	Se₂^-	selenium diatomic anion	se2-
531	Se₂⁺	selenium diatomic cation	se2+
532	Te₂	Tellurium diatomic	te2
533	LiOH	lithium hydroxide	lioh
534	NaOH	sodium hydroxide	naoh
535	KOH	Potassium hydroxide	koh
536	BeOH	beryllium monohydroxide	beoh
537	MgOH	magnesium hydroxide	mgoh
538	CaOH	Calcium monohydroxide	caoh
539	HBO	Boron hydride oxide	hbo
540	HBS	hydrogen boron sulfide	hbs
541	COH	Hydroxymethylidyne	coh
542	COH⁺	Carbon Monoxide, protonated	coh+
543	HCO	Formyl radical	hco
544	HCO^-	formyl anion	hco-
545	HCO⁺	Formyl cation	hco+
546	HCS	Thioformyl radical	hcs
547	HCS^-	Thioformyl anion	hcs-
548	HCS⁺	Thioformyl cation	hcs+
549	HNO	Nitrosyl hydride	hno
550	HNO^-	Nitrosyl hydride anion	hno-
551	HNO⁺	Nitrosyl hydride cation	hno+
552	NOH	Hydroxyimidogen	noh
553	NOH⁺	O-protonated nitric oxide	noh+
554	HNS	Sulfur imide	hns
555	HNS^-	Sulfur imide anion	hns-
556	HO₂	Hydroperoxy radical	ho2
557	HO₂^-	Hydroperoxy anion	ho2-
558	HO₂⁺	Hydroperoxy cation	ho2+
559	HSO⁺	Sulfur Monoxide, S-protonated	HSO+
560	SOH	Sulfur Hydroxide	soh
561	SOH⁺	Sulfur Monoxide, protonated	soh+
562	HS₂	Thiosulfeno radical	hs2
563	H₂CO	Formaldehyde	h2co
564	H₂CO^-	formaldehyde anion	h2co-
565	H₂CO⁺	formaldehyde cation	h2co+
566	HOCH	hydroxycarbene	hoch
567	H₂CS	Thioformaldehyde	h2cs
568	H₂CS^-	thioformaldehyde anion	h2cs-
569	H₂CS⁺	thioformaldehyde cation	h2cs+
570	H₂CSe	Selenoformaldehyde	h2cse
571	H₂NO	nitroxide	h2no
572	H₂O₂	Hydrogen peroxide	h2o2
573	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
574	H₂OO	water oxide	h2oo
575	HOSH	hydrogen thioperoxide	hosh
576	H₂S₂	Disulfane	h2s2
577	H₂S₂⁺	hydrogen disulfide cation	h2s2+
578	H₂Se₂	hydrogen diselenide	h2se2
579	CH₂OH	Hydroxymethyl radical	ch2oh
580	CH₂OH⁺	hydroxymethyl cation	ch2oh+
581	CH₃O	Methoxy radical	ch3o
582	CH₃O^-	methoxy anion	ch3o-
583	CH₃O⁺	Methoxy cation	ch3o+
584	CH₃S	thiomethoxy	ch3s
585	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
586	NH₂OH	hydroxylamine	nh2oh
587	NH₂OH⁺	Hydroxylamine cation	nh2oh+
588	NH₃O	Ammonia Oxide	nh3o
589	H₂POH	Phosphinous acid	h2poh
590	H₃PO	Phosphine oxide	h3po
591	NH₂SH	Thiohydroxylamine	nh2sh
592	NH₃S	sulfidoazane	nh3s
593	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
594	CH₃OH	Methyl alcohol	ch3oh
595	CH₃OH^-	Methyl alcohol anion	ch3oh-
596	CH₃OH⁺	Methyl alcohol cation	ch3oh+
597	CH₃SH⁺	Methanethiol cation	ch3sh+
598	SiH₃OH	silanol	sih3oh
599	CH₃SeH	Methane selenol	ch3seh
600	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
601	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
602	H₂OH₂O	water dimer	h2oh2o
603	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
604	H₂ONH₃	Water Ammonia Dimer	h2onh3
605	H₅O₂⁺	Dihydroxonium ion	h5o2+
606	LiCl^-	lithium chloride anion	licl-
607	LiCl⁺	lithium chloride cation	licl+
608	NaF^-	sodium fluoride anion	naf-
609	NaF⁺	sodium fluoride cation	naf+
610	KF	Potassium Fluoride	kf
611	NaCl^-	sodium chloride anion	nacl-
612	NaCl⁺	sodium chloride cation	nacl+
613	KCl	Potassium Chloride	kcl
614	CuF	Copper monofluoride	cuf
615	LiBr	Lithium Bromide	libr
616	LiBr^-	lithium bromide anion	libr-
617	LiBr⁺	lithium bromide cation	libr+
618	CuCl	Copper monochloride	cucl
619	NaBr	Sodium Bromide	nabr
620	NaBr^-	sodium bromide anion	nabr-
621	NaBr⁺	sodium bromide cation	nabr+
622	KBr	Potassium Bromide	kbr
623	LiI	Lithium Iodide	lii
624	NaI	Sodium Iodide	nai
625	KI	Potassium Iodide	ki
626	LiF^-	lithium fluoride anion	lif-
627	LiF⁺	lithium fluoride cation	lif+
628	BeF	Beryllium monofluoride	bef
629	BeF^-	Beryllium monofluoride anion	bef-
630	BeF⁺	Beryllium monofluoride cation	bef+
631	BeCl	beryllium monochloride	becl
632	MgF	Magnesium monofluoride	mgf
633	MgF^-	magnesium fluoride anion	mgf-
634	MgF⁺	magnesium fluoride cation	mgf+
635	CaF	Calcium monofluoride	caf
636	MgCl	magnesium monochloride	mgcl
637	MgCl^-	magnesium monochloride anion	mgcl-
638	MgCl⁺	magnesium monochloride cation	mgcl+
639	CaCl	calcium monochloride	cacl
640	TiCl	Titanium Monochloride	ticl
641	ZnF	Zinc monofluoride	znf
642	ZnF^-	Zinc monofluoride anion	znf-
643	ZnF⁺	Zinc monofluoride cation	znf+
644	ZnCl	Zinc monochloride	zncl
645	CaBr	Calcium monobromide	cabr
646	BeCl^-	beryllium monochloride anion	becl-
647	BeCl⁺	beryllium monochloride cation	becl+
648	BF	Boron monofluoride	bf
649	BF^-	Boron monofluoride anion	bf-
650	BF⁺	Boron monofluoride cation	bf+
651	AlF	Aluminum monofluoride	alf
652	AlF^-	Aluminum monofluoride anion	alf-
653	AlF⁺	Aluminum monofluoride cation	alf+
654	BCl	boron monochloride	bcl
655	BCl^-	boron monochloride anion	bcl-
656	BCl⁺	boron monochloride cation	bcl+
657	AlCl	Aluminum monochloride	alcl
658	AlCl^-	aluminum monochloride anion	alcl-
659	AlCl⁺	aluminum monochloride cation	alcl+
660	ScF	Scandium monofluoride	scf
661	BBr	Boron monobromide	bbr
662	GaF	Gallium monofluoride	gaf
663	GaF⁺	Gallium monofluoride cation	gaf+
664	AlBr	Aluminum monobromide	albr
665	GaCl	Gallium monochloride	gacl
666	GaCl⁺	Gallium monochloride cation	gacl+
667	AlI	Aluminum monoiodide	ali
668	GaBr	Gallium monobromide	gabr
669	CF	Fluoromethylidyne	cf
670	CF^-	carbon monofluoride anion	cf-
671	CF⁺	carbon monofluoride cation	cf+
672	CCl	carbon monochloride	ccl
673	CCl^-	carbon monochloride anion	ccl-
674	CCl⁺	carbon monochloride cation	ccl+
675	SiF	silicon monofluoride	sif
676	SiF^-	silicon monofluoride anion	sif-
677	SiF⁺	silicon monofluoride cation	sif+
678	SiCl	Clorosilylidyne	sicl
679	SiCl^-	silicon monochloride anion	sicl-
680	SiCl⁺	silicon monochloride cation	sicl+
681	CBr	Carbon monobromide	cbr
682	GeF	Germanium monofluoride	gef
683	GeF⁺	Germanium monofluoride cation	gef+
684	GeCl	Germanium monochloride	gecl
685	GeCl⁺	Germanium monochloride cation	gecl+
686	SiBr	Silicon monobromide	sibr
687	SiBr⁺	Silicon monobromide cation	sibr+
688	NF	nitrogen fluoride	nf
689	NF^-	nitrogen monofluorine anion	nf-
690	NF⁺	nitrogen monofluoirde cation	nf+
691	NCl^-	nitrogen monochloride anion	ncl-
692	NCl⁺	nitrogen monochloride cation	ncl+
693	PF	phosphorus monofluoride	pf
694	PF^-	phosphorus monofluoride anion	pf-
695	PF⁺	phosphorus monofluoride cation	pf+
696	PCl	phosphorus chloride	pcl
697	PCl^-	phosphorus monochloride anion	pcl-
698	PCl⁺	phosphorus monochloride cation	pcl+
699	AsF	Arsenic monofluoride	asf
700	NBr	nitrogen monobromide	nbr
701	AsCl	Arsenic monochloride	ascl
702	PBr	Phosphorus monobromide	pbr
703	SbF	Antimony monofluoride	sbf
704	SbCl	Antimony monochloride	sbcl
705	FO	Oxygen monofluoride	fo
706	FO^-	flourine oxide anion	fo-
707	FO⁺	fluorine monoxide cation	fo+
708	ClO^-	chlorine monoxide anion	clo-
709	ClO⁺	chlorine monoxide cation	clo+
710	SF	Monosulfur monofluoride	sf
711	SF^-	sulfur monofluoride anion	sf-
712	SF⁺	sulfur monofluoride cation	sf+
713	SCl^-	sulfur monochloride anion	scl-
714	SCl⁺	sulfur monochloride cation	scl+
715	BrO	Bromine monoxide	bro
716	BrO^-	Bromine monoxide anion	bro-
717	BrO⁺	Bromine monoxide cation	bro+
718	SeF	Selenium monofluoride	sef
719	SBr	Sulfur monobromide radical	sbr
720	SBr⁺	Sulfur monobromide cation	sbr+
721	SeCl	Selenium monochloride	secl
722	IO	Iodine monoxide	io
723	SeBr	Selenium monobromide	sebr
724	BrCl	Bromine monochloride	brcl
725	F₂^-	flourine diatomic anion	f2-
726	F₂⁺	flourine diatomic cation	f2+
727	ClF^-	clorine monofluoride anion	clf-
728	ClF⁺	clorine monofluoride cation	clf+
729	Cl₂^-	chlorine diatomic anion	cl2-
730	BrF	Bromine monofluoride	brf
731	BrF^-	bromine fluoride anion	brf-
732	BrF⁺	bromine fluoride cation	brf+
733	BrCl^-	bromine chloride anion	brcl-
734	BrCl⁺	bromine chloride cation	brcl+
735	IF	Iodine monofluoride	if
736	Br₂	Bromine diatomic	br2
737	Br₂^-	bromine diatomic anion	br2-
738	Br₂⁺	bromine diatomic cation	br2+
739	ICl	Iodine monochloride	icl
740	IBr	Iodine monobromide	ibr
741	I₂	Iodine diatomic	i2
742	I₂⁺	Iodine diatomic cation	i2+
743	HCF	Fluoromethylene	hcf
744	HCCl	Chloromethylene	hccl
745	HSiF	fluorosilylene	hsif
746	HSiCl	Chlorosilylene	hsicl
747	HSiBr	monobromosilylene	hsibr
748	CHBr	bromomethylene	chbr
749	HOF	Hypofluorous acid	hfo
750	DOCl	Hypochlorous acid-d	docl
751	HOCl⁺	hypochlorous acid cation	hocl+
752	HOBr	Hypobromous acid	hobr
753	HOBr⁺	Hypobromous acid cation	hobr+
754	HOI	Hypoiodous acid	hoi
755	F₂H⁺	Fluorine, protonated	f2h+
756	FHF	Hydrogen difluoride	fhf
757	FHF^-	Hydrogen difluoride anion	fhf-
758	ClFH⁺	Chlorine fluoride, F-protonated	clfh+
759	FClH⁺	Chlorine fluoride, Cl-protonated	fclh+
760	Cl₂H⁺	Chlorine, protonated	cl2h+
761	CH₂Br	bromomethyl radical	ch2br
762	CH₂F	fluoromethyl radical	ch2f
763	CH₂F⁺	fluoromethyl cation	ch2f+
764	CH₂Cl⁺	chloromethyl cation	ch2cl+
765	CH₂Cl	chloromethyl radical	ch2cl
766	NH₂F	monofluoroamine	nh2f
767	NH₂Cl	chloramine	nh2cl
768	H₂F₂	Hydrogen fluoride dimer	h2f2
769	CH₃F⁺	methyl fluoride cation	ch3f+
770	CD₃F	methylfluoride-d3	cd3f
771	CH₃F	Methyl fluoride	ch3f
772	CD₃Cl	methyl chloride d3	cd3cl
773	CH₃Cl⁺	Methyl chloride cation	ch3cl+
774	SiH₃F	monofluorosilane	sih3f
775	SiH₃Cl	chlorosilane	sih3cl
776	CH₃Br	methyl bromide	ch3br
777	GeH₃F	monofluorogermane	geh3f
778	GeH₃Cl	monochlorogermane	geh3cl
779	SiH₃Br	bromosilane	sih3br
780	CH₃I	methyl iodide	ch3i
781	SiH₃I	Silyl Iodide	sih3i
782	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
783	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
784	NH₄Cl	Ammonium chloride	nh4cl
785	LiNe⁺	Lithium Neon cation	line+
786	Ne₂	Neon diatomic	ne2
787	Ne₂⁺	Neon diatomic cation	ne2+
788	Ar₂	Argon diatomic	ar2
789	Ar₂⁺	Argon diatomic cation	ar2+
790	Li₃	Lithium trimer	li3
791	Li₃⁺	Lithium trimer cation	li3+
792	C₃	carbon trimer	c3
793	C₃⁺	carbon trimer cation	c3+
794	SiC₂	Silicon dicarbide	sic2
795	C₃H₃	cyclopropenyl radical	cpr
796	C₃H₃	Propargyl radical	propargyl
797	C₃H₃^-	Propargyl anion	c3h3-
798	C₃H₃⁺	cyclopropenyl cation	cpr+
799	C₃H₃⁺	Propargyl cation	c3h3+
800	C₃H₄	cyclopropene	cprop
801	CH₂CCH₂	allene	allene
802	CH₃CCH	propyne	propyne
803	C₃H₅	Allyl radical	allyl
804	C₃H₅⁺	Allyl cation	allyl+
805	CH₃CHCH	1-propenyl radical	ch3chch
806	Zn(CH₃)₂	dimethyl zinc	dmz
807	C₃H₆	Cyclopropane	c3h6
808	CH₂CHCH₃	Propene	propene
809	C₃H₇	n-Propyl radical	npropyl
810	C₃H₇⁺	cyclopropane, protonated	c3h7+
811	CH₃CHCH₃	Isopropyl radical	isopropyl
812	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
813	C₃H₈	Propane	propane
814	SiH₂(CH₃)₂	dimethylsilane	dms
815	LiCN	lithium cyanide	licn
816	NaCN	Sodium Cyanide	nacn
817	KCN	Potassium cyanide	kcn
818	CuCN	Copper cyanide	cucn
819	ZnCN	Zinc monocyanide	zncn
820	ZnNC	Zinc isocyanide	znnc
821	AlCN	Aluminum monocyanide	alcn
822	AlNC	Aluminum isocyanide	alnc
823	CN₂	3H-Diazirin-3-ylidene	cn2
824	CNN	Diazocarbene	cnn
825	NCN	Cyanoimidogen	ncn
826	N₃	azide radical	n3
827	N₃^-	azide anion	n3-
828	N₃⁺	azide cation	n3+
829	HCCN	cyanomethylene	hccn
830	HCNN	diazomethyl radical	hcnn
831	HN₃	hydrogen azide	hn3
832	HN₃⁺	Hydrazoic acid cation	hn3+
833	HNCNH	diiminomethane	hncnh
834	CH₂N₂	diazirine	ch2n2
835	CH₂NN	diazomethane	ch2nn
836	NH₂CN	cyanamide	cyanamide
837	HNNNH⁺	1,2-Triazadienium	n2h3+
838	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
839	CH₃CN	Acetonitrile	ch3cn
840	CH₃CN^-	acetonitrile anion	ch3cn-
841	CH₃CN⁺	Acetonitrile cation	ch3cn+
842	CH₃NC	methyl isocyanide	ch3nc
843	CHNCH₂	2H-Azirine	c157164
844	CHNHCH	1H-Azirine	chnhch
845	H₂CCNH	Ethenimine	ch2cnh
846	H₂CNCH	methyleneaminomethylene	ch2nch
847	HCCNH₂	Ethynamine	hccnh2
848	HCNCH₂⁺	2H-Azirine cation	hcnch2+
849	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
850	NCNH₃⁺	Cyanamide, protonated	ncnh3+
851	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
852	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
853	CH₂CHNH	vinylazine	ch2chnh
854	CH₃CHN	methylmethaniminyl radical	ch3chn
855	NHCHNH₂	aminomethanimine	cn2h4
856	C₂H₅N	Aziridine	c2h5n
857	CH₂CHNH₂	aminoethene	aminoethene
858	CH₂NCH₃	N-methylmethanimine	nmm
859	CH₃CHNH	ethanimine	ethanimine
860	NH₂BHNH₂	diaminoborane	nh2bhnh2
861	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
862	C₂H₆N⁺	aziridine, protonated	c2h6n+
863	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
864	CH₃CH₂NH₂	Ethylamine	etam
865	CH₃NHCH₃	Dimethylamine	ch3nhch3
866	CH₃PHCH₃	dimethylphosphine	ch3phch3
867	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
868	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
869	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
870	Li₂O	dilithium oxide	li2o
871	Li₂O⁺	dilithium oxide cation	li2o+
872	Li₂S	dilithium sulfide	li2s
873	Na₂O	disodium monoxide	na2o
874	Na₂S	Sodium sulfide	na2s
875	LiO₂	Lithium dioxide	lio2
876	NaO₂	Sodium superoxide	nao2
877	CCO	Dicarbon monoxide	cco
878	CNO^-	fulminate	cno-
879	NCO	isocyanato radical	nco
880	NCO^-	cyanate	nco-
881	SCN	thiocyanato radical	scn
882	SCN^-	thiocyanide anion	scn-
883	BO₂	Boron dioxide	bo2
884	BO₂^-	Boron dioxide anion	bo2-
885	BO₂⁺	Boron dioxide cation	bo2+
886	N₂O	Nitrous oxide	n2o
887	N₂O^-	Nitrous oxide anion	n2o-
888	N₂O⁺	Nitrous oxide cation	n2o+
889	NNS	Nitrogen sulfide	nns
890	PPO	Phosphorus oxide phosphide	ppo
891	CO₂^-	Carbon dioxide anion	co2-
892	CO₂⁺	Carbon dioxide cation	co2+
893	OCS	Carbonyl sulfide	cos
894	OCS⁺	Carbonyl sulfide cation	cos+
895	SiO₂	silicon dioxide	sio2
896	CS₂	Carbon disulfide	cs2
897	CS₂^-	Carbon disulfide anion	cs2-
898	CS₂⁺	Carbon disulfide cation	cs2+
899	TiO₂	Titanium dioxide	tio2
900	SiS₂	Silicon disulfide	sis2
901	GeO₂	Germanium dioxide	geo2
902	OCSe	Carbonyl selenide	ocse
903	SCSe	Carbon sulfide selenide	scse
904	GeS₂	Germanium disulfide	ges2
905	CSe₂	Carbon diselenide	cse2
906	SCTe	Carbon sulfide Telluride	scte
907	NO₂	Nitrogen dioxide	no2
908	NO₂^-	Nitrogen dioxide anion	no2-
909	NO₂⁺	Nitrogen dioxide cation	no2+
910	PO₂	Phosphorus dioxide	po2
911	PO₂^-	Phosphorus dioxide anion	po2-
912	PO₂⁺	Phosphorus dioxide cation	po2+
913	AsO₂	Aresenic dioxide	aso2
914	O₃	Ozone	o3
915	O₃^-	Ozone anion	o3-
916	O₃⁺	Ozone cation	o3+
917	SO₂	Sulfur dioxide	so2
918	SO₂^-	Sulfur dioxide anion	so2-
919	SO₂⁺	Sulfur dioxide cation	so2+
920	SSO	Disulfur monoxide	sso
921	S₃	Sulfur trimer	s3
922	S₃^-	Sulfur trimer anion	s3-
923	S₃⁺	Sulfur trimer cation	s3+
924	SeO₂	Selenium dioxide	seo2
925	SeO₂⁺	Selenium dioxide cation	seo2+
926	TeO₂	Tellurium Dioxide	teo2
927	HCCO	ketenyl radical	ketenyl
928	CS₂H⁺	Carbon disulfide, protonated	cs2h+
929	HCNO	fulminic acid	hcno
930	HNCO	Isocyanic acid	hnco
931	HOCN	cyanic acid	hocn
932	HNCS	Isothiocyanic acid	hncs
933	HSCN	thiocyanic acid	hscn
934	HCO₂^-	formate anion	hco2-
935	HNNO	nitrosoazane	hnno
936	HNNO⁺	Nitrous oxide, N-protonated	hnno+
937	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
938	HCOO	formate neutral radical	hcoo
939	HOCO	Hydrocarboxyl radical	hoco
940	HOCO⁺	Hydrocarboxyl cation	hoco+
941	HNO₂	Nitrous acid	hno2
942	HNO₂⁺	nitrous acid cation	hno2+
943	O₃H⁺	protonated ozone	o3h+
944	SO₂H⁺	protonated sulfur dioxide	so2h+
945	C₂H₂O	Oxirene	oxirene
946	CH₂CO	Ketene	ch2co
947	CH₂CO⁺	Ketene cation	ch2co+
948	HCCOH	ethynol	hccoh
949	CH₂CS	Thioketene	ch2cs
950	Be(OH)₂	Beryllium hydroxide	beo2h2
951	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
952	NH₂NO	Nitrosamide	nh2no
953	CH₂O₂	Dioxirane	diox
954	H₂COO	Dioxymethyl radical	h2coo
955	H₂COO⁺	dioxymethyl cation	h2coo+
956	HCOOH	Formic acid	ch2o2
957	H₂O₃	Hydrogen trioxide	h2o3
958	HSSSH	trisulfane	hsssh
959	NaOCH₃	Sodium methoxide	naoch3
960	CH₂BOH	hydroxy(methylene)borane	ch2boh
961	CH₃BO	Borane, methyloxo-	ch3bo
962	CH₂CHO	Vinyloxy radical	ch2cho
963	CH₂COH⁺	ketene, protonated	ch2coh+
964	CH₃CO	Acetyl radical	ch3co
965	CH₃CO^-	Acetyl anion	ch3co-
966	CH₃CO⁺	acetyl cation	ch3co+
967	CH₂NOH	formaldoxime	ch2noh
968	CH₃NO	nitrosomethane	ch3no
969	CHONH₂	formamide	formamide
970	CNOH₃	1,2-oxaziridine	cnoh3
971	HOCHNH	hydroxymethylimine	hochnh
972	CHSNH₂	thioformamide	chsnh2
973	NHCHSH	Methanimidothioic acid	nhchsh
974	CH₂OOH	CH2OOH radical	ch2ooh
975	CH₃OO	methylperoxy radical	ch3oo
976	CH₃OO^-	methylperoxy anion	ch3oo-
977	CH₃OO⁺	methylperoxy cation	ch3oo+
978	C₂H₄O	Ethylene oxide	c2h4o
979	C₂H₄O⁺	ethylene oxide cation	c2h4o+
980	CH₂CHOH	ethenol	ch2choh
981	CH₃CHO	Acetaldehyde	ch3cho
982	CH₃CHO⁺	acetaldehyde cation	ch3cho+
983	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-	h2coch2+
984	C₂H₄S	Thiirane	thiirane
985	CH₂CHSH	Ethenethiol	ch2chsh
986	CH₃CHS	Thioacetaldehyde	ch3chs
987	H₂CONH₂⁺	protonated formamide	h2conh2+
988	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
989	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
990	CH₂(OH)₂	methanediol	ch2o2h2
991	CH₃OOH	Methyl peroxide	ch3ooh
992	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
993	HSCH₂SH	Methanedithiol	ch4s2
994	H₂OH₂CO	water formaldehyde dimer	h2oh2co
995	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
996	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
997	CH₃CH₂O	Ethoxy radical	ethoxy
998	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
999	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
1000	CH₃OCH₂	methoxymethyl radical	ch3och2
1001	NH₂CH₂OH	aminomethanol	nh2ch2oh
1002	CH₃CH₂OH	Ethanol	etoh
1003	CH₃OCH₃	Dimethyl ether	meome
1004	CH₃CH₂SH	ethanethiol	etsh
1005	CH₃SCH₃	Dimethyl sulfide	mesme
1006	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
1007	CH₃SeCH₃	dimethylselenide	dmse
1008	CH₃OHH₂O	methanol water dimer	ch3ohh2o
1009	H₂OCH₃OH	water methanol dimer	h2och3oh
1010	CuF₂	Copper difluoride	cuf2
1011	ZnF₂	Zinc difluoride	znf2
1012	CNF	iso cyanogen fluoride	cnf
1013	FCN	Cyanogen fluoride	fcn
1014	ClCN	chlorocyanogen	clcn
1015	BrCN	Cyanogen bromide	brcn
1016	ICN	Cyanogen iodide	icn
1017	FBO	Boron monofluoride monoxide	fbo
1018	BeF₂	Beryllium fluoride	bef2
1019	MgF₂	Magnesium fluoride	mgf2
1020	BeCl₂	Beryllium chloride	becl2
1021	MgCl₂	Magnesium dichloride	mgcl2
1022	CaCl₂	Calcium Chloride	cacl2
1023	ZnCl₂	Zinc dichloride	zncl2
1024	BeBr₂	Beryllium bromide	bebr2
1025	CaBr₂	Calcium dibromide	cabr2
1026	CaF₂	Calcium difluoride	caf2
1027	FCO	Carbonyl fluoride	fco
1028	FCO⁺	Carbonyl fluoride cation	fco+
1029	ClCO	carbonyl monochloride	clco
1030	BF₂	Boron difluoride radical	bf2
1031	FNO	Nitrosyl fluoride	fno
1032	ClNO	Nitrosyl chloride	clno
1033	OPCl	Phosphorus oxychloride	opcl
1034	BrNO	Nitrosyl bromide	brno
1035	INO	Nitrosyl iodide	ino
1036	CF₂	Difluoromethylene	cf2
1037	CF₂^-	Difluoromethylene anion	cf2-
1038	CF₂⁺	Difluoromethylene cation	cf2+
1039	CFCl	chlorofluoromethylene	cfcl
1040	SiF₂	Silicon difluoride	sif2
1041	SiF₂⁺	Silicon difluoride cation	sif2+
1042	CCl₂	dichloromethylene	ccl2
1043	CCl₂^-	dichloromethylene anion	ccl2-
1044	CCl₂⁺	dichloromethylene cation	ccl2+
1045	SiCl₂	Dichlorosilylene	sicl2
1046	GeF₂	Germanium difluoride	gef2
1047	GeCl₂	Germanium dichloride	gecl2
1048	CBr₂	dibromomethylene	cbr2
1049	FOO	Dioxygen monofluoride radical	foo
1050	FOO⁺	Fluorine dioxide cation	foo+
1051	ClOO	chloroperoxy radical	cloo
1052	ClOO⁺	chloroperoxy cation	cloo+
1053	OClO^-	Chlorine dioxide anion	oclo-
1054	OClO⁺	Chlorine dioxide cation	oclo+
1055	ClS₂	Sulfur chloride	cls2
1056	BrOO	Bromine dioxide	broo
1057	OBrO	Bromine dioxide radical	obro
1058	NF₂	Difluoroamino radical	nf2
1059	NF₂⁺	Difluoroamino cation	nf2+
1060	PF₂	Phosphorus difluoride	pf2
1061	PF₂⁺	Phosphorus difluoride cation	pf2+
1062	F₂O	Difluorine monoxide	f2o
1063	SF₂	sulfur difluoride	sf2
1064	SF₂^-	sulfur difluoride anion	sf2-
1065	SF₂⁺	sulfur difluoride cation	sf2+
1066	Cl₂O	Dichlorine monoxide	cl2o
1067	SCl₂	Sulfur dichloride	scl2
1068	SeF₂	Selenium difluoride	sef2
1069	BrOCl	Bromine hypochlorite	brocl
1070	SeCl₂	Selenium Dichloride	secl2
1071	SBr₂	Sulfur dibromide	sbr2
1072	SeBr₂	Selenium dibromide	sebr2
1073	BrOBr	Bromine oxide	brobr
1074	F₃^-	trifluoride anion	f3-
1075	Cl₃^-	trichloride anion	cl3-
1076	Br₃^-	tribromide anion	br3-
1077	I₃^-	triiodide	i3-
1078	SFCl	Sulfur chloride fluoride	sfcl
1079	HCCF	Fluoroacetylene	hccf
1080	HCCF⁺	fluoroacetylene cation	hccf+
1081	HCCCl	Chloroacetylene	hcccl
1082	HCCBr	bromoacetylene	hccbr
1083	HFCO	formyl fluoride	hfco
1084	HFCO⁺	formyl fluoride cation	hfco+
1085	COHCl	Formyl chloride	cohcl
1086	COHBr	Formyl bromide	cohbr
1087	BHF₂	Difluoroborane	bhf2
1088	BHCl₂	Borane, dichloro-	bhcl2
1089	CHCl₂	dichloromethyl radical	chcl2
1090	CHF₂	difluoromethyl radical	chf2
1091	CHF₂⁺	difluoromethyl cation	chf2+
1092	CHFCl	Chlorofluoromethyl radical	chfcl
1093	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
1094	CHCl₂⁺	dichloromethyl cation	chcl2+
1095	CHBr₂	dibromomethyl radical	chbr2
1096	HOClO	Chlorous acid	hoclo
1097	NHF₂	difluoramine	nhf2
1098	NHCl₂	dichloroamine	nhcl2
1099	CH₂F₂	Methane, difluoro-	ch2f2
1100	CH₂FCl	fluorochloromethane	ch2fcl
1101	SiH₂F₂	difluorosilane	sih2f2
1102	CH₂Cl₂	Methylene chloride	ch2cl2
1103	CH₂BrF	Methane, bromofluoro-	ch2fbr
1104	CH₂BrCl	Methane, bromochloro-	ch2clbr
1105	CH₂FI	fluoroiodomethane	ch2fi
1106	CH₂Br₂	dibromomethane	ch2br2
1107	CH₂ClI	chloroiodomethane	ch2cli
1108	CH₂BrI	bromoiodomethane	ch2bri
1109	CH₂I₂	Diiodomethane	ch2i2
1110	SiH₂Cl₂	dichlorosilane	sih2cl2
1111	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
1112	CH₂CHF	Ethene, fluoro-	ch2chf
1113	CH₂CHF⁺	fluoroethene cation	ch2chf+
1114	C₂H₃Cl	Ethene, chloro-	ch2chcl
1115	C₂H₃Br	vinyl bromide	c2h3br
1116	C₂H₃I	Vinyl iodide	c2h3i
1117	CH₂FOH	fluoromethanol	ch2foh
1118	CH₃OCl	methyl hypochlorite	ch3ocl
1119	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
1120	CHClCH₃	1-chloroethyl radical	chclch3
1121	C₂H₅F	fluoroethane	c2h5f
1122	CH₃CH₂Cl	Ethyl chloride	c2h5cl
1123	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
1124	C₂H₅Br	Ethyl bromide	etbr
1125	C₂H₅I	Ethyl iodide	c2h5i
1126	KrF₂	Krypton difluoride	krf2
1127	XeF₂	Xenon difluoride	xef2
1128	B₄H₁₀	Tetraborane(10)	b4h10
1129	C₄	Carbon tetramer	c4
1130	C₄⁺	Carbon tetramer cation	c4+
1131	C₄H₂	Diacetylene	c4h2
1132	C₄H₂⁺	diacetlyene cation	c4h2+
1133	C₂H₃CCH	1-Buten-3-yne	c2h3cch
1134	C₄H₄	cyclobutadiene	cbd
1135	C₄H₄	Tetrahedrane	c4h4
1136	H₂CCCCH₂	Butatriene	h2cccch2
1137	C₄H₆	1-Methylcyclopropene	c3100047
1138	C₄H₆	Cyclobutene	c822355
1139	C₄H₆	Methylenecyclopropane	c6142730
1140	CH₂CCHCH₃	1,2-Butadiene	butad12
1141	CH₂CHCHCH₂	1,3-Butadiene	c106990
1142	CH₃CCCH₃	2-Butyne	c503173
1143	CHCCH₂CH₃	1-Butyne	c107006
1144	CH₃CHCHCH₂	methylallyl radical	c4h7
1145	C₄H₈	methylcyclopropane	mcp
1146	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
1147	CH₂CHCH₂CH₃	1-Butene	bute1
1148	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
1149	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
1150	B(CH₃)₃	trimethylborane	bme3
1151	Al(CH₃)₃	trimethyl aluminum	tma
1152	C(CH₃)₃	Tert-butyl radical	tbutyl
1153	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
1154	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
1155	CH₃CH(CH₃)CH₃	Isobutane	isobutane
1156	CH₃CH₂CH₂CH₃	Butane	butane
1157	SiH(CH₃)₃	trimethylsilane	trimsi
1158	Li₃N	trilithium nitride	li3n
1159	C₂N₂	Cyanogen	c2n2
1160	C₂N₂⁺	Cyanogen cation	c2n2+
1161	P₄	Phosphorus tetramer	p4
1162	As₄	Arsenic tetramer	as4
1163	HCCCN	Cyanoacetylene	hcccn
1164	HCCCN⁺	Cyanoacetylene cation	hcccn+
1165	H₂CNCN	cyanamide, methylene	ch2ncn
1166	HNCCNH	Ethenediimine	hnccnh
1167	C₃H₃N	acrylonitrile	ch2chcn
1168	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
1169	CH₃N₃	methyl azide	ch3n3
1170	NH₂CCNH₂	Diaminoacetylene	daa
1171	NH₂CH₂CN	Aminoacetonitrile	aan
1172	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
1173	C₂H₅CN	ethyl cyanide	c2h5cn
1174	CH₅N₃	Guanidine	guanidine
1175	C₄H₆	Bicyclo[1.1.0]butane	c157335
1176	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
1177	H₂NCHCHNH₂	diaminoethylene	dae
1178	CH₆N₃⁺	guanidinium	ch6n3+
1179	C₃H₇N	Cyclopropylamine	cpram
1180	CH₇N₃	triaminomethane	tam
1181	C₃H₇N	Azetidine	azet
1182	C₄H₈	cyclobutane	cbutane
1183	C₂H₈N₂	Ethylenediamine	ethdiam
1184	CH₃NHNHCH₃	dimethyl hydrazine	dmh
1185	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
1186	N(CH₃)₃	Trimethylamine	trimeam
1187	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
1188	P(CH₃)₃	trimethylphosphine	tmp
1189	N(SiH₃)₃	trisilylamine	tsa
1190	As(CH₃)₃	trimethyl arsine	tmas
1191	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
1192	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
1193	Li₂O₂	dilithium dioxide	li2o2
1194	Na₂O₂	disodium dioxide	na2o2
1195	K₂O₂	dipotassium dioxide	k2o2
1196	C₃O	Tricarbon monoxide	c3o
1197	B₂O₂	Diboron dioxide	b2o2
1198	ONNO	NO dimer	onno
1199	CO₃	Carbon trioxide	co3
1200	CO₃^--	carbonate	co3--
1201	CS₃^--	Carbonotrithioate	cs3--
1202	NO₃	Nitrogen trioxide	no3
1203	NO₃^-	nitrate anion	no3-
1204	NO₃⁺	nitrogen trioxide cation	no3+
1205	SO₃	Sulfur trioxide	so3
1206	SO₃^-	Sulfur trioxide anion	so3-
1207	SO₃^--	Sulfate dianion	so3--
1208	SO₃⁺	Sulfur trioxide cation	so3+
1209	SeO₃	selenium trioxide	seo3
1210	S₄	Sulfur tetramer	s4
1211	TeO₃	Tellurium trioxide	teo3
1212	HCO₃^-	bicarbonate anion	hco3-
1213	HNO₃	Nitric acid	hno3
1214	HSO₃	Hydroxysulfonyl radical	hso3
1215	NH₂NO₂	nitramide	nh2no2
1216	C₂H₂CO	cyclopropenone	c2h2co
1217	C₃H₂O	Propadienal	c3h2o
1218	HCCCHO	2-propynal	hcccho
1219	C₂H₂O₂	Ethanedial	c2h2o2
1220	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
1221	H₂CO₃	Carbonic acid	h2co3
1222	H₂CS₃	thiocarbonic acid	h2cs3
1223	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
1224	H₂SO₃	Sulfurous acid	h2so3
1225	C₂H₃NO	Nitrosoethylene	c2h3no
1226	CH₃NCO	methylisocyante	ch3nco
1227	HOCH₂CN	cyanomethanol	hoch2cn
1228	CH₃COO^-	acetate anion	ch3coo-
1229	CH₃NO₂	Methane, nitro-	ch3no2
1230	CH₃ONO	Methyl nitrite	ch3ono
1231	NH₂COOH	Carbamic acid	nh2cooh
1232	H₃BO₃	Boric acid	h3bo3
1233	H₃AlO₃	Aluminum hydroxide	h3alo3
1234	H₃CO₃⁺	carbonic acid, protonated	h3co3+
1235	C₃H₄O	2-Propyn-1-ol	c107197
1236	C₃H₄O	allenol	c9000071
1237	C₃H₄O	Cyclopropanone	cpone
1238	C₃H₄O	Methylketene	c6004440
1239	CH₂CHCHO	Acrolein	c3h4o
1240	NH₂CONH₂	Urea	urea
1241	NH₂CONH₂⁺	Urea cation	urea+
1242	NH₂CSNH₂	Thiourea	thiourea
1243	C₂H₄O₂	1,3-dioxetane	c2h4o2
1244	CH₃COOH	Acetic acid	ch3cooh
1245	CH₃OCHO	methyl formate	ch3ocho
1246	CHOCH₂OH	hydroxy acetaldehyde	haa
1247	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
1248	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
1249	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
1250	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
1251	HCOOHH₂O	Formic acid water dimer	hcoohh2o
1252	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
1253	CH₃COCH₂	Acetonyl radical	ch3coch2
1254	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
1255	CH₃C(OH)=NH	Ethaninidic acid	eia
1256	CH₃CHNOH	Acetaldoxime	acetaldoxime
1257	CH₃CONH₂	Acetamide	acetamide
1258	HCONHCH₃	N-methylformamide	nmfa
1259	CH₃CSNH₂	Ethanethioamide	ch3csnh2
1260	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
1261	H₂NCOHNH₂⁺	urea, protonated	ureah+
1262	C₂H₅OO	ethylperoxy radical	c2h5oo
1263	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
1264	C₃H₅OH	Cyclopropanol	cproh
1265	C₃H₆O	2-Propen-1-ol	c107186
1266	C₃H₆O	Acetone enol	enol
1267	C₃H₆O	Oxetane	oxetane
1268	C₃H₆O	Propylene oxide	prox
1269	CH₃CH₂CHO	Propanal	propanal
1270	CH₃COCH₃	Acetone	acetone
1271	CH₃COCH₃^-	acetone anion	ch3coch3-
1272	C₃H₆S	Thietane	thietane
1273	C₃H₆S	Thiirane, methyl-	methiirane
1274	CH₃CSCH₃	Thioacetone	ch3csch3
1275	C₂H₆O₂	1,2-Ethanediol	ethdiol
1276	CH₃OOCH₃	dimethylperoxide	dmp
1277	CH₃SOCH₃	Dimethyl sulfoxide	dmso
1278	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
1279	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
1280	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
1281	HOCH₂CH₂NH₂	monoethanolamine	mea
1282	C₃H₇OH	1-Propanol	proh
1283	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
1284	CH₃OC₂H₅	Ethane, methoxy-	etome
1285	C₃H₇SH	1-Propanethiol	prsh
1286	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1287	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1288	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1289	Li₂F₂	Lithium fluoride dimer	li2f2
1290	Na₂F₂	Sodium Fluoride Dimer	na2f2
1291	Na₂Cl₂	Disodium dichloride	na2cl2
1292	C₂F₂	difluoroacetylene	c2f2
1293	C₂Cl₂	dichloroacetylene	c2cl2
1294	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1295	FNO₂	Nitryl fluoride	fno2
1296	FONO	Nitrosyl hypofluorite	fono
1297	ClNO₂	Nitryl chloride	clno2
1298	ClONO	chlorine nitrite	clono
1299	BrONO	Bromine nitrite	brono
1300	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1301	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1302	CF₂O	Carbonic difluoride	f2co
1303	CF₂O⁺	Carbonic difluoride cation	f2co+
1304	COFCl	Carbonic chloride fluoride	cofcl
1305	CCl₂O	Phosgene	cl2co
1306	Cl₂CS	Thiophosgene	cl2cs
1307	COBr₂	Carbonic dibromide	cobr2
1308	BF₃^-	Borane, trifluoro- anion	bf3-
1309	BF₃⁺	boron trifluoride cation	bf3+
1310	BClF₂	Chlorodifluoroborane	bclf2
1311	AlF₂Cl	Aluminum chloride difluoride	alclf2
1312	ScF₃	Scandium trifluoride	ScF3
1313	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1314	BCl₃	Borane, trichloro-	bcl3
1315	BCl₃⁺	Boron Trichloride cation	bcl3+
1316	GaF₃	Gallium trifluoride	gaf3
1317	AlCl₃	Aluminum trichloride	alcl3
1318	GaCl₃	Gallium trichloride	gacl3
1319	BBr₃	Boron tribromide	bbr3
1320	AlBr₃	Aluminum Bromide	albr3
1321	ClO₃	Chlorine trioxide	clo3
1322	ClO₃^-	chlorate anion	clo3-
1323	BrO₃^-	Bromate anion	bro3-
1324	CF₃	Trifluoromethyl radical	cf3
1325	CF₃^-	Trifluoromethyl anion	cf3-
1326	CF₃⁺	Trifluoromethyl cation	cf3+
1327	CF₂Cl	difluorochloromethyl radical	cf2cl
1328	SiF₃	Silicon trifluoride radical	sif3
1329	SiF₃⁺	Silicon trifluoride cation	sif3+
1330	CFCl₂	dichlorofluoromethyl radical	cfcl2
1331	CCl₃	Trichloromethyl radical	ccl3
1332	CCl₃^-	Trichloromethyl anion	ccl3-
1333	CCl₃⁺	Trichloromethyl cation	ccl3+
1334	SiCl₃	trichlorosilyl radical	sicl3
1335	SiCl₃⁺	trichlorosilyl cation	sicl3+
1336	CBr₃	tribromomethyl radical	cbr3
1337	FOOF	Perfluoroperoxide	foof
1338	F₂SO	Thionyl Fluoride	f2so
1339	ClOOCl	Dichlorine dioxide	cloocl
1340	FSSF	Difluorodisulfane	fssf
1341	S₂F₂	Thio-thionyl fluoride	s2f2
1342	SOCl₂	thionyl chloride	socl2
1343	SSCl₂	Thiothionyl chloride	sscl2
1344	SeOCl₂	selenium oxychloride	seocl2
1345	NF₃	Nitrogen trifluoride	nf3
1346	NF₃^-	Nitrogen trifluoride anion	nf3-
1347	NF₃⁺	Nitrogen trifluoride cation	nf3+
1348	PF₃	Phosphorus trifluoride	pf3
1349	NCl₃	nitrogen trichloride	ncl3
1350	AsF₃	Arsenic trifluoride	asf3
1351	PCl₃	Phosphorus trichloride	pcl3
1352	SbF₃	Antimony Trifluoride	sbf3
1353	AsCl₃	Arsenous trichloride	ascl3
1354	SbCl₃	Antimony Trichloride	sbcl3
1355	NBr₃	Nitrogen Tribromide	nbr3
1356	PBr₃	Phosphorus tribromide	pbr3
1357	AsBr₃	Arsenic tribromide	asbr3
1358	NI₃	Nitrogen triiodide	ni3
1359	PI₃	Phosphorus triiodide	pi3
1360	ClSSCl	Disulfur dichloride	s2cl2
1361	SF₃	Sulfur trifluoride	sf3
1362	ClF₃	Chlorine trifluoride	clf3
1363	BrF₃	Bromine trifluoride	brf3
1364	IF₃	iodone trifluoride	if3
1365	HClO₃	Chloric Acid	hclo3
1366	CHF₃	Methane, trifluoro-	chf3
1367	CHF₂Cl	difluorochloromethane	chf2cl
1368	SiHF₃	trifluorosilane	sihf3
1369	CHFCl₂	fluorodichloromethane	chfcl2
1370	CDCl₃	trichloromethane-d	cdcl3
1371	CHCl₃	Chloroform	chcl3
1372	CHBrF₂	Methane, bromodifluoro-	chbrf2
1373	SiHCl₃	Trichlorosilane	sihcl3
1374	CHFClBr	fluorochlorobromomethane	chfclbr
1375	CHBrCl₂	Methane, bromodichloro-	chbrcl2
1376	CHF₂I	difluoroiodomethane	chf2i
1377	CHBr₂F	dibromofluoromethane	chbr2f
1378	CHFClI	fluorochloroiodomethane	chfcli
1379	CHCl₂I	dichloroiodomethane	chcl2i
1380	CHClBr₂	Methane, dibromochloro-	chclbr2
1381	CHBr₃	bromoform	chbr3
1382	CHI₃	Iodoform	chi3
1383	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1384	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1385	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1386	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1387	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1388	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1389	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1390	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1391	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1392	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1393	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1394	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1395	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1396	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1397	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1398	CH₃COF	Acetyl fluoride	ch3cof
1399	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1400	CH₃COCl	Acetyl Chloride	ch3cocl
1401	C₂H₄F₂	1,2-difluoroethane	c2h4f2
1402	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1403	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1404	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1405	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1406	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1407	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1408	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1409	CH₂CFCH₃	2-fluoropropene	2fpro
1410	CH₂CHCH₂F	Allyl Fluoride	allylf
1411	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1412	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1413	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1414	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1415	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1416	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1417	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1418	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1419	CH₃CHFCH₃	2-Fluoropropane	prf2
1420	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1421	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1422	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1423	CH₃CHBrCH₃	i-propyl bromide	iprbr
1424	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1425	B₅H₉	pentaborane9	b5h9
1426	C₅H₄	pentatetraene	ptrene
1427	C₅H₅	cyclopentadienyl radical	c5h5
1428	C₅H₅^-	cylopentadienyl anion	c5h5-
1429	C₅H₆	1,3-Cyclopentadiene	c542927
1430	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1431	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1432	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1433	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1434	C₅H₆	Cyclopropylacetylene	c6746947
1435	C₅H₆	Propellane	propellane
1436	C₅H₇	1,3-pentadienyl radical	pdyl
1437	C₅H₇	cyclopentenyl radical	cpyl
1438	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1439	C₅H₈	1,2-Pentadiene	c591957
1440	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1441	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1442	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1443	C₅H₈	1,4-Pentadiene	c591935
1444	C₅H₈	1-pentyne	a1pentyne
1445	C₅H₈	2,3-Pentadiene	c591968
1446	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1447	C₅H₈	Cyclobutane, methylene-	c1120565
1448	C₅H₈	Cyclopentene	c142290
1449	C₅H₈	Ethenylcyclopropane	c693867
1450	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1451	C₅H₁₀	1-Butene, 2-methyl-	c563462
1452	C₅H₁₀	2-Butene, 2-methyl-	c513359
1453	C₅H₁₀	2-Pentene, (E)-	c646048
1454	C₅H₁₀	2-Pentene, (Z)-	c627203
1455	C₅H₁₀	Cyclopentane	c287923
1456	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1457	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1458	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1459	C₅H₁₂	Butane, 2-methyl-	buta2
1460	C₅H₁₂	Pentane	pentane
1461	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1462	Si(CH₃)₄	tetramethylsilane	tms
1463	N₂O₃	Dinitrogen trioxide	n2o3
1464	C₃H₂N₂	Malononitrile	c3h2n2
1465	CH₂N₄	1H-Tetrazole	1htz
1466	C₃H₃N₂	imidazolyl radical	im
1467	C₃H₃N₂^-	imidizolyl anion	im-
1468	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1469	C₄H₄N	pyrrolide radical	c4h4n
1470	C₄H₄N^-	pyrrolide anion	c4h4n-
1471	C₃H₄N₂	1H-Imidazole	1himidaz
1472	C₃H₄N₂	1H-Pyrazole	1hpyraz
1473	C₃H₄N₂	2H-Imidazole	imid2h
1474	C₃H₄N₂	4H-Imidazole	imid4h
1475	C₄H₅N	(E)-2-Butenenitrile	c627269
1476	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1477	C₄H₅N	2H-pyrrole	pyrrole2
1478	C₄H₅N	3H-pyrrole	pyrrole3
1479	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1480	C₄H₅N	Pyrrole	pyrrole
1481	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1482	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1483	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1484	C₄H₆N⁺	pyrrole, protonated	ppyr
1485	C₃H₆N₂	3-Aminopropionitrile	c151188
1486	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1487	CH₃CH₂CH₂CN	Butanenitrile	c109740
1488	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1489	C₅H₈	Spiropentane	c157404
1490	C₄H₉N	Cyclobutylamine	cbam
1491	C₄H₉N	Pyrrolidine	pyrrolidine
1492	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1493	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1494	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1495	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1496	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1497	NH(C₂H₅)₂	diethylamine	dea
1498	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1499	C₃O₂	Carbon suboxide	c3o2
1500	C₃O₂⁺	Carbon suboxide cation	c3o2+
1501	B₂O₃	diboron trioxide	b2o3
1502	MgCO₃	Magnesium Carbonate	mgco3
1503	BeCO₃	Beryllium Carbonate	beco3
1504	CaCO₃	Calcium Carbonate	caco3
1505	ONONO	Nitrosyl nitrite	onono
1506	PO₄^---	phosphate	po4---
1507	SO₄^--	sulfate	so4--
1508	HOONO₂	peroxy nitric acid	hoono2
1509	HSO₄^-	bisulfate anion	hso4-
1510	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1511	C₃H₂O₂	Propiolic acid	c3h2o2
1512	CHOCOOH	oxo acetic acid	oaa
1513	CHOOCHO	diformyl ether	choocho
1514	H₂SO₄	Sulfuric acid	h2so4
1515	H₂SeO₄	Selenic acid	h2seo4
1516	C₃H₃NO	Isoxazole	isox
1517	C₃H₃NO	Oxazole	oxazole
1518	C₃H₃NS	Thiazole	thiazole
1519	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1520	CH₃NO₃	Methyl nitrate	ch3no3
1521	H₃PO₄	Phosphoric Acid	h3po4
1522	C₄H₄O	Furan	furan
1523	C₄H₄O⁺	Furan cation	furan+
1524	CH₃COCCH	3-butyn-2-one	c1423605
1525	C₄H₄S	Thiophene	furans
1526	C₄H₄Se	selenophene	c4h4se
1527	C₃H₄O₂	β–Propiolactone	beta
1528	C₃H₄O₂	2-Propenoic acid	propenoic2
1529	C₃H₄O₂	Methyl glyoxal	megly
1530	C₃H₄O₂	propanedial	propanedial
1531	C₃H₄O₂	propenalol	propenalol
1532	HOCHCCHOH	allenediol	aldiol
1533	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1534	C₂H₄O₃	trioxolane124	triox
1535	HOCH₂COOH	Hydroxyacetic acid	hac
1536	CH₂CHCONH₂	Acrylamide	c79061
1537	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1538	CH₅N₃S	Hydrazinecarbothioamide	c79196
1539	H₂NCH₂COOH	Glycine	glycine
1540	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1541	C₄H₆O	cis-2-butenal	butenal2c
1542	C₄H₆O	Cyclobutanone	cbutone
1543	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1544	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1545	CH₂CHOCHCH₂	Vinyl ether	vinylether
1546	CHOCHCHCH₃	2-Butenal	butenal2
1547	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1548	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1549	CH₂CHSCHCH₂	Divinyl sulfide	divis
1550	C₂H₆N₂O	Urea, methyl-	c598505
1551	C₃H₆O₂	1,3-Dioxolane	dioxolane
1552	CH₃CH₂COOH	Propanoic Acid	propanoic
1553	CH₃COOCH₃	methyl acetate	aame
1554	HCOOC₂H₅	Ethyl formate	faee
1555	C₂H₆O₂S	Dimethyl sulfone	c67710
1556	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1557	C₃H₇NO	dimethylformamide	dmf
1558	C₃H₇NO	Propanamide	propanam
1559	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1560	C₄H₈O	Cyclobutanol	c2919235
1561	C₄H₈O	Furan, tetrahydro-	thf
1562	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1563	CH₃COCH₂CH₃	2-Butanone	buta2one
1564	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1565	CHOCH₂CH₂CH₃	Butanal	butanal
1566	C₄H₈S	Thiophene, tetrahydro-	tht
1567	C₃H₈O₂	1,3-Propanediol	c504632
1568	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1569	C₃H₈O₂	Methane, dimethoxy-	c109875
1570	C₃H₈O₂	Propylene glycol	c57556
1571	C₃H₈S₂	1,3-Propanedithiol	c109808
1572	C₄H₁₀O	1-Butanol	butanol1
1573	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1574	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1575	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1576	C₄H₁₀O	Ethoxy ethane	etoet
1577	C₄H₁₀O	Methyl propyl ether	meopr
1578	C₄H₁₀O	Propane, 2-methoxy-	c598538
1579	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1580	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1581	C₂H₅SC₂H₅	Diethyl sulfide	etset
1582	C₄H₉SH	1-Butanethiol	bush
1583	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1584	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1585	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1586	FNO₃	Fluorine nitrate	fno3
1587	ClONO₂	Chlorine nitrate	clono2
1588	BrONO₂	Bromine nitrate	brono2
1589	TiCl₄	Titanium tetrachloride	ticl4
1590	ClO₄^-	perchlorate anion	clo4-
1591	BF₄^-	tetrafluoroboron anion	bf4-
1592	ClFO₃	Perchloryl fluoride	clfo3
1593	SO₂F₂	Sulfuryl fluoride	so2f2
1594	SO₂Cl₂	Sulfuryl chloride	so2cl2
1595	F₃NO	Nitrogen trifluoride oxide	f3no
1596	F₃PO	Phosphoryl fluoride	pf3o
1597	Cl₃PO	Phosphoryl chloride	pcl3o
1598	CF₄	Carbon tetrafluoride	cf4
1599	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1600	SiF₄	Silicon tetrafluoride	sif4
1601	CF₂Cl₂	difluorodichloromethane	cf2cl2
1602	TiF₄	Titanium tetrafluoride	tif4
1603	CFCl₃	Trichloromonofluoromethane	cfcl3
1604	CF₃Br	Bromotrifluoromethane	cf3br
1605	GeF₄	Germanium tetrafluoride	gef4
1606	CCl₄	Carbon tetrachloride	ccl4
1607	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1608	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1609	SiCl₄	Silane, tetrachloro-	sicl4
1610	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1611	CF₃I	trifluoroiodomethane	cf3i
1612	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1613	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1614	GeCl₄	Germanium Tetrachloride	gecl4
1615	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1616	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1617	CCl₃I	trichloroiodomethane	ccl3i
1618	CFBr₃	fluorotribromomethane	cfbr3
1619	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1620	CBr₃Cl	tribromochloromethane	cbr3cl
1621	CF₂I₂	difluorodiiodomethane	cf2i2
1622	CBr₄	Carbon tetrabromide	cbr4
1623	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1624	SiBr₄	Silicon tetrabromide	sibr4
1625	CBr₃I	tribromoiododmethane	cbr3i
1626	GeBr₄	Germanium tetrabromide	gebr4
1627	CI₄	tetraiodomethane	ci4
1628	SiI₄	silicon tetraiodide	sii4
1629	ClOF₃	Chlorine trifluoride oxide	clof3
1630	SF₄	Sulfur tetrafluoride	sf4
1631	SeF₄	Selenium tetrafluoride	sef4
1632	SCl₄	Sulfur tetrachloride	scl4
1633	C₂HF₃	Trifluoroethylene	c2hf3
1634	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1635	CHClCCl₂	Trichloroethylene	chclccl2
1636	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1637	HSO₃F	Fluorosulfonic acid	hso3f
1638	CF₃OH	trifluoromethanol	cf3oh
1639	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1640	CHClCCHCl	1,3-dichloroallene	chclcchcl
1641	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1642	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1643	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1644	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1645	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1646	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1647	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1648	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1649	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1650	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1651	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1652	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1653	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1654	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1655	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1656	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1657	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1658	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1659	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1660	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1661	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1662	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1663	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1664	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1665	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1666	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1667	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1668	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1669	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1670	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1671	C₄H₉F	1-fluorobutane	butaf1
1672	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1673	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1674	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1675	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1676	XeF₄	Xenon tetrafluoride	xef4
1677	C₂H₂N₂O	Furazan	furazan
1678	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1679	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1680	C₆H₂	hexatriyne	c6h2
1681	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1682	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1683	C₆H₄	Benzyne	benzyne
1684	C₆H₅	phenyl	phenyl
1685	C₆H₅^-	phenyl anion	phenyl-
1686	C₆H₆	Prismane	prismane
1687	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1688	C₆H₆	2,4-Hexadiyne	hexadiyne
1689	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1690	C₆H₆	Benzene	benzene
1691	C₆H₆	Benzvalene	bv
1692	C₆H₆	Dewar Benzene	dewar
1693	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1694	C₆H₆	Trimethylenecycopropane	tmcp
1695	C₆H₆⁺	Benzene cation	c6h6+
1696	C₆H₇⁺	benzene, protonated	c6h7+
1697	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1698	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1699	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1700	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1701	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1702	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1703	C₆H₈	3-Methylenecyclopentene	c930267
1704	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1705	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1706	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1707	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1708	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1709	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1710	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1711	C₆H₁₀	1,5-Hexadiene	c592427
1712	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1713	C₆H₁₀	1-Hexyne	hexyne1
1714	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1715	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1716	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1717	C₆H₁₀	2-Hexyne	c764352
1718	C₆H₁₀	3-Hexyne	hexyne3
1719	C₆H₁₀	cyclohexene	cyclohexene
1720	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1721	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1722	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1723	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1724	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1725	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1726	C₆H₁₂	(E)-2-Hexene	e2hexene
1727	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1728	C₆H₁₂	(E)-hex-3-ene	e3hexene
1729	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1730	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1731	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1732	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1733	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1734	C₆H₁₂	3-methylenepentane	c760214
1735	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1736	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1737	C₆H₁₂	Cyclohexane	cyclohexane
1738	C₆H₁₂	Cyclopentane, methyl-	c96377
1739	C₆H₁₂	Ethylcyclobutane	c4806615
1740	C₆H₁₂	hex-1-ene	hexene1
1741	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1742	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1743	C₆H₁₄	Hexane	hexane
1744	C₆H₁₄	Pentane, 2-methyl-	penta2
1745	C₆H₁₄	Pentane, 3-methyl-	penta3
1746	C₄N₂	2-Butynedinitrile	c4n2
1747	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1748	C₄H₂N₂	Fumaronitrile	c4h2n2
1749	C₂H₂N₄	sym-tetrazine	ttz
1750	C₃H₃N₃	1,3,5-Triazine	triazine135
1751	CH₃N₅	5-Aminotetrazole	c4418615
1752	C₄H₄N₂	1,3-Diazine	diazine13
1753	C₄H₄N₂	Pyrazine	pyrazine
1754	C₄H₄N₂	Pyridazine	pyridazine
1755	C₄H₄N₂	Succinonitrile	c110612
1756	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1757	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1758	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1759	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1760	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1761	C₅H₅N	Pyridine	pyridine
1762	B₃N₃H₆	borazine	borazine
1763	C₆H₆	Fulvene	fulvene
1764	C₅H₆N⁺	Pyridinium	c5h6n
1765	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1766	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1767	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1768	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1769	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1770	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1771	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1772	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1773	C₅H₉N	Pentanenitrile	c110598
1774	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1775	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1776	C₅H₁₁N	Cyclopentanamine	cypentam
1777	C₅H₁₁N	Piperidine	piper
1778	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1779	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1780	Li₂CO₃	Lithium Carbonate	li2co3
1781	Na₂CO₃	Sodium Carbonate	na2co3
1782	C₂O₄^--	oxalate anion	c2o4
1783	MgSO₄	Magnesium Sulfate	mgso4
1784	N₂O₄	Dinitrogen tetroxide	n2o4
1785	C₃H₂O₃	vinylene carbonate	vica
1786	C₂H₂O₄	Oxalic Acid	oxalic
1787	C₂H₃NO₃	Oxamic acid	oxamic
1788	C₄H₄O₂	2(5H)-Furanone	furanone
1789	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1790	C₂H₄N₂O₂	Oxalamide	oxalamide
1791	C₂H₄N₂S₂	Ethanedithioamide	c79403
1792	C₂H₄CO₃	Ethylene carbonate	etco3
1793	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1794	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1795	C₂H₄O₄	Formic acid dimer	fadimer
1796	C₄H₅NO	3-Methylisoxazole	isox3m
1797	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1798	C₄H₅NS	4-Methylthiazole	c693958
1799	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1800	C₅H₆O	2H-Pyran	pyran2
1801	C₅H₆O	2-methylfuran	furan2m
1802	C₅H₆O	3-Methylfuran	furan3m
1803	C₅H₆O	Pentadienal	pdal
1804	C₅H₆S	Thiophene, 2-methyl-	c554143
1805	C₅H₆S	Thiophene, 3-methyl-	c616444
1806	C₄H₆O₂	γ–Butyrolactone	c96480
1807	C₄H₆O₂	2,3-Butanedione	c431038
1808	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1809	C₄H₆O₂	Crotonic Acid	crot
1810	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1811	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1812	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1813	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1814	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1815	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1816	C₄H₆OS	Vinyl sulfoxide	c1115157
1817	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1818	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1819	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1820	C₃H₆O₃	1,3,5-Trioxane	trioxane
1821	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1822	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1823	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1824	C₄H₇NO	2-Pyrrolidinone	c616455
1825	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1826	C₄H₇NO	Methacrylamide	c79390
1827	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1828	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1829	C₃H₇ONO	Propyl nitrite	prono
1830	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1831	CH₃CH(NH₂)COOH	Alanine	alanine
1832	CH₃NHCH₂COOH	Sarcosine	sarcosine
1833	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1834	NH₂COOC₂H₅	Urethane	urethane
1835	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1836	C₅H₈O	Cyclopentanone	c120923
1837	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1838	C₅H₈O	Methyl cyclopropyl ketone	c765435
1839	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1840	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1841	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1842	C₄H₈O₂	1,3-Dioxane	dioxan13
1843	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1844	C₄H₈O₂	1,4-Dioxane	dioxan14
1845	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1846	C₄H₈O₂	Ethyl acetate	c141786
1847	C₄H₈OS	s-Ethyl thioacetate	c625605
1848	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1849	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1850	C₄H₉NO	Butanamide	c541355
1851	C₄H₉NO	Propanamide, 2-methyl-	c563837
1852	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1853	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1854	C₅H₁₀O	2-methylbutyraldehyde	2meba
1855	C₅H₁₀O	2-Pentanone	mpk
1856	C₅H₁₀O	3-Pentanone	dek
1857	C₅H₁₀O	Cyclopentanol	c96413
1858	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1859	C₅H₁₀O	Pentanal	pal
1860	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1861	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1862	C₅H₁₀S	Cyclopentanethiol	c1679078
1863	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1864	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1865	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1866	C₄H₁₀O₂	1,3-Butanediol	budiol13
1867	C₄H₁₀O₂	1,4-Butanediol	budiol14
1868	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1869	C₄H₁₀OS	Diethyl sulfoxide	c70291
1870	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1871	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1872	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1873	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1874	C₅H₁₂O	1-Pentanol	pentanol1
1875	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1876	C₅H₁₂O	2-Pentanol	peol2
1877	C₅H₁₂O	3-Pentanol	pentan3ol
1878	C₅H₁₂O	Butane, 1-methoxy-	meobu
1879	C₅H₁₂O	Propane, 1-ethoxy-	proet
1880	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1881	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1882	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1883	C₅H₁₂S	1-Pentanethiol	c110667
1884	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1885	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1886	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1887	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1888	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1889	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1890	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1891	C₄F₂	difluorobutadiyne	c4f2
1892	ClCOClCO	Oxalyl chloride	oxcl
1893	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1894	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1895	B₂F₄	Diboron tetrafluoride	b2f4
1896	B₂Cl₄	Diboron tetrachloride	b2cl4
1897	C₂F₄	Tetrafluoroethylene	c2f4
1898	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1899	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1900	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1901	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1902	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1903	C₂FCl₃	fluorotrichloroethene	c2fcl3
1904	C₂Cl₄	Tetrachloroethylene	c2cl4
1905	C₂Br₄	tetrabromoethene	c2br4
1906	CF₃OF	Trifluoromethylhypofluorite	cf3of
1907	SOF₄	Sulfur tetrafluoride oxide	sof4
1908	PF₅	Phosphorus pentafluoride	pf5
1909	AsF₅	Arsenic pentafluoride	asf5
1910	PCl₅	Phosphorus pentachloride	pcl5
1911	SF₅	Sulfur pentafluoride	sf5
1912	SF₅⁺	pentafluoro sulfur cation	sf5+
1913	SbCl₅	Antimony pentachloride	sbcl5
1914	BrF₅	bromine pentafluoride	brf5
1915	ClF₅	chlorinepentafluoride	clf5
1916	IF₅	pentafluoroiodine	if5
1917	CF₃CHO	trifluoroacetaldehyde	cf3cho
1918	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1919	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1920	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1921	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1922	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1923	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1924	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1925	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1926	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1927	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1928	CF₃COOH	trifluoroacetic acid	cf3cooh
1929	C₄H₃ClO	Furan, 2-chloro	fur2cl
1930	C₄H₃ClO	Furan,3-chloro	fur3cl
1931	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1932	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1933	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1934	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1935	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1936	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1937	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1938	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1939	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1940	C₄H₈O₂	Butanoic acid	bua
1941	C₆H₅CH₂	benzyl radical	benzyl
1942	C₇H₇	cycloheptatrienyl radical	c7h7
1943	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1944	C₆H₅CH₃	toluene	toluene
1945	C₇H₈	cycloheptatriene	cht
1946	C₇H₈	Norbornadiene	norbor
1947	C₇H₈	Quadricyclane	qucy
1948	C₇H₁₂	Norbornane	nor
1949	C₇H₁₄	cycloheptane	c7h14
1950	C₇H₁₆	2-methylhexane	2mhex
1951	C₇H₁₆	3-methylhexane	hex3m
1952	C₇H₁₆	heptane	heptane
1953	CH(CN)₃	tricyanomethane	mecn3
1954	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1955	C₆H₇N	2-Methylpyridine	mp
1956	C₆H₅NH₂	aniline	aniline
1957	C₆H₁₃N	2-Methylpiperidine	pip2m
1958	C₆H₁₃N	cyclohexanamine	cham
1959	C₆H₁₅N	triethylamine	tea
1960	N₂O₅	Dinitrogen pentoxide	n2o5
1961	C₄H₂O₃	Maleic Anhydride	malan
1962	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1963	C₅H₄O₂	furfural	furfural
1964	C₆H₅O	phenoxy radical	phenoxy
1965	C₅H₅NO	2(1H)-Pyridinone	c72762006
1966	C₅H₅NO	2(3H)-Pyridinone	c9000048
1967	C₅H₅NO	2(5H)-Pyridinone	c9000037
1968	C₅H₅NO	2-Pyridinol	c109104
1969	C₅H₅NO	3(2H)-Pyridinone	c9000004
1970	C₅H₅NO	3(4H)-Pyridinone	c9000026
1971	C₅H₅NO	3(6H)-Pyridinone	c9000015
1972	C₅H₅NO	3-Pyridinol	c109002
1973	C₅H₅NO	4(1H)-Pryidinone	c9000060
1974	C₅H₅NO	4(3H)-Pryidinone	c9000059
1975	C₅H₅NO	4-Pyridinol	c626642
1976	C₆H₅OH	phenol	phenol
1977	C₆H₆O	2,4-Cyclohexadienone	c24599573
1978	C₆H₆O	2,5-Cyclohexadienone	c5664335
1979	C₆H₅SH	Benzenethiol	phsh
1980	HO₂CCHNH₂CH₂OH	Serine	serine
1981	C₅H₈O₂	Acetylacetone	acac
1982	C₄H₈O₂S	Sulfolane	sulfolane
1983	C₇H₁₀	Norbornene	norbornene
1984	CH(C₂H₃)₃	trivinyl methane	tvm
1985	C₆H₁₀O	cyclohexanone	chexo
1986	C₆H₁₂O	hexanal	c6h12o
1987	C₆H₁₂O	Oxepane	oxepane
1988	C₃H₇OC₃H₇	di-n-propyl ether	propr
1989	F₂CCCF₂	tetrafluoroallene	pfa
1990	CF₃COO^-	trifluoro acetate anion	cf3coo-
1991	CF₃COF	trifluoroacetyl fluoride	cf3cof
1992	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1993	PF₆	Hexafluorophosphate neutral	pf6
1994	PF₆^-	Hexafluorophosphate ion	pf6-
1995	SF₆	Sulfur Hexafluoride	sf6
1996	SeF₆	Selenium hexafluoride	sef6
1997	SF₅Cl	sulfur chloropentafluoride	sf5cl
1998	CF₃CHF₂	pentafluoroethane	cf3chf2
1999	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
2000	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
2001	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
2002	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
2003	C₆H₅F	Fluorobenzene	bzf
2004	C₆H₅Cl	chlorobenzene	bzcl
2005	C₆H₅Br	bromobenzene	bzbr
2006	C₈H₆	Calicene	calicene
2007	C₆H₅CCH	phenylacetylene	phac
2008	C₈H₆	benzocyclobutadiene	bcbd
2009	C₈H₆	Pentalene	pentalene
2010	C₆H₅CHCH₂	Styrene	styrene
2011	C₈H₈	cubane	cubane
2012	C₈H₈	cyclooctatetraene	cot
2013	C₆H₅CH₂CH₃	Ethylbenzene	etbz
2014	CH₃C₆H₄CH₃	meta-xylene	mxylene
2015	CH₃C₆H₄CH₃	paraxylene	pxylene
2016	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
2017	C₈H₁₆	cyclooctane	cyclooct
2018	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
2019	C₈H₁₈	Octane	c8h18
2020	C₆H₅CN	phenyl cyanide	phcn
2021	C₆H₁₂N₂	Triethylenediamine	ted
2022	C₄O₄^--	squarate dianion	c4o4--
2023	S₄N₄	Tetrasulfur tetranitride	s4n4
2024	S₈	Octasulfur	s8
2025	C₆H₄O₂	parabenzoquinone	pbq
2026	C₄H₄N₂O₂	Uracil	uracil
2027	C₆H₅CHO	benzaldehyde	benzal
2028	C₆H₅OCH₃	Anisole	anisole
2029	C₅H₉NO₂	Proline	proline
2030	C₆H₁₂O₂	Methyl pivalate	c598981
2031	C₆H₁₂O₂	Hexanoic acid	hexa
2032	C₄F₄	tetrafluorcyclobutadiene	c4f4
2033	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
2034	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
2035	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
2036	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
2037	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
2038	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
2039	C₂F₆	hexafluoroethane	c2f6
2040	C₂Cl₆	hexachloroethane	c2cl6
2041	IF₇	Iodine heptafluoride	if7
2042	C₆H₄F₂	metadifluorobenzene	mdfb
2043	C₆H₄F₂	orthodifluorobenzene	odfb
2044	C₆H₄F₂	1,4-difluorobenzene	pdfb
2045	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
2046	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
2047	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
2048	C₆H₅NO	nitrosobenzene	bzno
2049	C₉H₈	Indene	indene
2050	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
2051	C₉H₁₂	n-propyl benzene	prbz
2052	C₉H₂₀	Nonane	nonane
2053	C(CN)₄	tetracyanomethane	c5n4
2054	C₅H₄N₄	purine	purine
2055	C₈H₇N	Indole	indole
2056	C₃H₃N₃O₃	cyanuric acid	cyanuric
2057	C₆H₅NO₂	Nitrobenzene	c6h5no2
2058	C₆H₅COOH	benzoic acid	benzo
2059	CH₃COC₆H₅	acetophenone	acph
2060	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
2061	C₃F₆	hexafluoropropene	c3f6
2062	C₆H₃F₃	Benzene trifluoride 123	bzf3a
2063	C₈H₁₈O	1-Octanol	octanol
2064	C₁₀H₈	Azulene	azu
2065	C₁₀H₈	naphthalene	naph
2066	C₁₀H₁₀	bullvalene	bullv
2067	C₁₀H₁₆	adamantane	adamantane
2068	C₆N₄	Tetracyanoethylene	tcne
2069	C₆N₄^-	tetracyanoethylene anion	tcne-
2070	C₁₀H₂₂	Decane	decane
2071	C₄F₆	perfluorobutadiene	c4f6
2072	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
2073	C₃F₈	perfluoropropane	c3f8
2074	Fe(CO)₅	Iron pentacarbonyl	ipc
2075	Fe(C₅H₅)₂	ferrocene	fecp2
2076	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
2077	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
2078	C₁₂H₈	Acenaphthylene	acenaph
2079	C₁₂H₈	biphenylene	biph
2080	C₁₂H₁₀	biphenyl	biphenyl
2081	C₁₂H₁₀	Heptalene	heptalene
2082	C₆H₁₂O₆	Inositol	inositol
2083	C₆F₆	hexafluorobenzene	c6f6
2084	S₂F₁₀	disulphur decafluoride	s2f10
2085	C₁₃H₁₀	Fluorene	fluorene
2086	C₁₄H₁₀	Anthracene	anth
2087	C₁₄H₁₀	Phenanthrene	phenanthrene
2088	C₁₄H₁₄	Bibenzyl	bibenzyl
2089	C₁₂H₁₀N₂	azobenzene	azobenzene
2090	C₆H₅COC₆H₅	benzophenone	benzophenone
2091	C₁₆H₁₀	Pyrene	pyrene
2092	C₁₈H₁₂	Tetracene	tetracene
2093	C₁₉H₁₆	Triphenylmethane	tpm
2094	C₂₄H₁₂	Coronene	coronene
2095	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