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

List of which calculations are completed at QCISD(TQ) /Def2TZVPP

count	Species	Name	State	Conformation
1	He	Helium atom	¹S	K_h
2	He	Helium atom
3	KH	Potassium hydride	¹Σ	C_∞v
4	MgH	magnesium monohydride	²Σ	C_∞v
5	Al^-	Aluminum atom anion	³P	K_h
6	BH₃⁺	boron trihydride cation	²B₂	C_2v
7	BH₃⁺	boron trihydride cation		C_2v
8	AlH₃^-	aluminum trihydride anion		C_3v
9	BH₄^-	borohydride anion	¹A₁	T_d
10	C	Carbon atom	³P₀	K_h
11	Si^-	Silicon atom anion	⁴S	K_h
12	CH₂^-	methylene anion	²B₁	C_2v
13	GeH₂	germylene	¹A₁	C_2v
14	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
15	SiH₂D₂	silane-d2
16	SiH₅⁺	Silane, protonated
17	N	Nitrogen atom	⁴S	K_h
18	P	Phosphorus atom	⁴S	K_h
19	As	Arsenic atomic	⁴S	K_h
20	As^-	Arsenic anion	³P	K_h
21	As⁺	Arsenic cation	³P	K_h
22	PH	phosphorus monohydride	³Σ^-	C_∞v
23	NH₂	Amino radical	²B₁	C_2v
24	NH₂⁺	Amino cation	³B₁	C_2v
25	NH₂⁺	Amino cation	¹A₁	C_2v
26	PH₃	Phosphine	¹A₁	C_3v
27	PH₃⁺	Phosphine cation	²A₁	C_3v
28	PH₄	Phosphoranyl radical
29	OH	Hydroxyl radical	²Π	C_∞v
30	OH⁺	hydoxyl cation	³Σ	C_∞v
31	HS^-	mercapto anion	¹Σ	C_∞v
32	HS⁺	sulfur monohydride cation	³Σ	C_∞v
33	H₂O	Water	¹A₁	C_2v
34	H₂O^-	water anion	²A₁	C_2v
35	H₂O^-	water anion	²A^'	C_s
36	H₂O⁺	water cation	²B₁	C_2v
37	HDO	Water-d1	¹A₁	C_2v
38	H₂Se	Hydrogen selenide	¹A₁	C_2v
39	H₃S⁺	Sulfonium cation	¹A₁	C_3v
40	Cl	Chlorine atom	²P	K_h
41	HCl⁺	hydrogen chloride cation	²Π	C_∞v
42	HBr	hydrogen bromide	¹Σ	C_∞v
43	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
44	Ne	Neon atom
45	Kr	Krypton atom	¹S	K_h
46	Kr⁺	Krypton cation	²P	K_h
47	Xe	Xenon atom	¹S	K_h
48	ArH⁺	Argon hydride cation	¹Σ	C_∞v
49	KrH⁺	Protonated Krypton	¹Σ	C_∞v
50	HBBH	Diborane(2)	³Σ_G	D_∞h
51	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
52	B₂H₆	Diborane	¹A_g	D_2h
53	B₂H₆⁺	Diborane cation
54	CaC	Calcium monocarbide
55	SiGe	Silicon Germanium
56	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
57	H₂CC^-	vinylidene anion
58	CH₃Li	methyl lithium	¹A₁	C_3v
59	C₂H₃	vinyl	²A^'	C_s
60	C₂H₅	Ethyl radical	²A^'	C_s
61	LiP	Lithium monophosphide
62	LiP	Lithium monophosphide
63	MgN	Magnesium Nitride
64	CN	Cyano radical	²Σ	C_∞v
65	SiP	Silicon monophosphide	²Π	C_∞v
66	HCN	Hydrogen cyanide	¹Σ	C_∞v
67	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
68	HNC⁺	hydrogen isocyanide cation
69	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
70	CH₂NH⁺	Methanimine cation
71	BH₃PH₃	borane phosphine
72	N₂H₇⁺	ammonia ammonium dimer
73	CaS	Calcium sulfide	¹Σ	C_∞v
74	BO	boron monoxide	²Σ	C_∞v
75	CO⁺	carbon monoxide cation	²Σ	C_∞v
76	SiSe	Silicon Monoselenide
77	SiSe⁺	Silicon Monoselenide cation
78	NO	Nitric oxide	²Π	C_∞v
79	NO^-	nitric oxide anion	³Σ	C_∞v
80	NO⁺	nitric oxide cation	¹Σ	C_∞v
81	SO⁺	sulfur monoxide cation	²Π	C_∞v
82	S₂	Sulfur diatomic	³Σ_g	D_∞h
83	LiOH	lithium hydroxide	¹Σ	C_∞v
84	HBO	Boron hydride oxide	¹Σ	C_∞v
85	COH	Hydroxymethylidyne
86	HCO^-	formyl anion	¹A^'	C_s
87	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
88	HSO⁺	Sulfur Monoxide, S-protonated
89	SOH⁺	Sulfur Monoxide, protonated
90	H₂CO^-	formaldehyde anion	²A^'	C_s
91	H₂CO⁺	formaldehyde cation	²B₂	C_2v
92	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
93	NH₂OH	hydroxylamine	¹A^'	C_s
94	NH₂OH⁺	Hydroxylamine cation
95	CF	Fluoromethylidyne	²Π	C_∞v
96	CBr	Carbon monobromide	²Π	C_∞v
97	NCl	nitrogen monochloride	³Σ	C_∞v
98	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
99	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
100	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
101	HCF	Fluoromethylene	¹A^'	C_s
102	HCF	Fluoromethylene	³A^"	C_s
103	HOCl⁺	hypochlorous acid cation
104	ClFH⁺	Chlorine fluoride, F-protonated
105	FClH⁺	Chlorine fluoride, Cl-protonated
106	CH₂F	fluoromethyl radical	²A	C_s
107	CH₃Cl	Methyl chloride	¹A₁	C_3v
108	NH₄Cl	Ammonium chloride
109	LiNe⁺	Lithium Neon cation
110	C₃	carbon trimer	¹Σ_g	D_∞h
111	C₃	carbon trimer	¹A₁	C_2v
112	NCO	isocyanato radical	²Π	C_∞v
113	N₂O	Nitrous oxide	¹Σ	C_∞v
114	OCS	Carbonyl sulfide	¹Σ	C_∞v
115	S₃	Sulfur trimer	¹A₁	C_2v
116	Be(OH)₂	Beryllium hydroxide
117	ICN	Cyanogen iodide	¹Σ	C_∞v
118	FSN	Thiazyl fluoride	¹A^'	C_s
119	INO	Nitrosyl iodide	¹A^'	C_s
120	CF₂	Difluoromethylene	¹A₁	D_∞h
121	OClO^-	Chlorine dioxide anion	¹A^'	C_s
122	C₄H₄	Tetrahedrane

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	h
5	H^-	Hydrogen atom anion	h-
6	H⁺	Hydrogen atom cation	h+
7	D₂	Deuterium diatomic	d2
8	H₂	Hydrogen diatomic	h2
9	H₂^-	hydrogen diatomic anion	h2-
10	H₂⁺	Hydrogen cation	h2+
11	HD	Deuterium hydride	hd
12	H₃⁺	hydrogen trimer cation	h3+
13	He^-	Helium atom anion	he-
14	He⁺	Helium atom cation	he+
15	HeH	Helium hydride	heh
16	HeH⁺	Helium hydride cation	heh+
17	He₂⁺	helium diatomic cation	he2+
18	Li	Lithium atom	li
19	Li^-	Lithium atom anion	li-
20	Li⁺	Lithium atom cation	li+
21	Na	Sodium atom	na
22	Na^-	Sodium atom anion	na-
23	Na⁺	Sodium atom cation	na+
24	K	Potassium atom	k
25	K^-	Potassium atom anion	k-
26	K⁺	Potassium atom cation	k+
27	Cu	Copper atom	cu
28	Cu^-	Copper atom anion	cu-
29	Cu⁺	Copper atom cation	cu+
30	LiH	Lithium Hydride	lih
31	LiH^-	lithium hydride anion	lih-
32	LiH⁺	lithium hydride cation	lih+
33	NaH	sodium hydride	nah
34	NaH^-	sodium hydride anion	nah-
35	NaH⁺	sodium hydride cation	nah+
36	KH⁺	Potassium hydrogen cation	kh+
37	CuH	Copper monohydride	cuh
38	Be	Beryllium atom	be
39	Be^-	Beryllium atom anion	be-
40	Be⁺	Beryllium atom cation	be+
41	Mg	Magnesium atom	mg
42	Mg^-	Magnesium atom anion	mg-
43	Mg⁺	Magnesium atom cation	mg+
44	Ca	Calcium atom	ca
45	Ca^-	Calcium atom anion	ca-
46	Ca⁺	Calcium atom cation	ca+
47	Zn	Zinc atom	zn
48	Zn^-	Zinc atom anion	zn-
49	Zn⁺	Zinc atom cation	zn+
50	BeH	beryllium monohydride	beh
51	BeH^-	berylium monohydride anion	beh-
52	BeH⁺	beryllium monohydride cation	beh+
53	MgH^-	magnesium monohydride anion	mgh-
54	MgH⁺	magnesium monohydride cation	mgh+
55	CaH	Calcium monohydride	cah
56	CaH⁺	Calcium monohydride cation	cah+
57	TiH	Titanium monohydride	tih
58	ZnH	Zinc monohydride	znh
59	ZnH⁺	Zinc, protonated	znh+
60	BeH₂	beryllium dihydride	beh2
61	BeH₂⁺	Beryllium dihydride cation	beh2+
62	MgH₂	magnesium dihydride	mgh2
63	CaH₂	Calcium Hydride	cah2
64	ZnH₂	Zinc hydride	znh2
65	B	Boron atom	b
66	B^-	Boron atom anion	b-
67	B⁺	Boron atom cation	b+
68	Al	Aluminum atom	al
69	Al⁺	Aluminum atom cation	al+
70	Sc	Scandium atom	sc
71	Sc⁺	Scandium cation	sc+
72	Ga	Gallium atom	ga
73	Ga^-	Gallium atom anion	ga-
74	Ga⁺	Gallium atom cation	ga+
75	BH	Boron monohydride	bh
76	BH^-	boron monohydride anion	bh-
77	BH⁺	boron monohydride cation	bh+
78	AlH	aluminum monohydride	alh
79	AlH^-	aluminum monohydride anion	alh-
80	AlH⁺	aluminum monohydride cation	alh+
81	ScH	Scandium monohydride	sch
82	ScH⁺	Scandium monohydride cation	sch+
83	GaH	Gallium monohydride	gah
84	GaH⁺	Gallium monohydride cation	gah+
85	BH₂	boron dihydride	bh2
86	BH₂^-	boron dihydride anion	bh2-
87	BH₂⁺	Boron dihydride cation	bh2+
88	AlH₂	aluminum dihydride	alh2
89	AlH₂^-	aluminum dihydride anion	alh2-
90	AlH₂⁺	aluminum dihydride cation	alh2+
91	BH₃	boron trihydride	bh3
92	BH₃^-	boron trihydride anion	bh3-
93	AlH₃	aluminum trihydride	alh3
94	AlH₃⁺	aluminum trihydride cation	alh3+
95	ScH₃	Scandium trihydride	sch3
96	GaH₃	Gallium trihydride	gah3
97	BH₄	borohydride	bh4
98	AlH₄^-	Aluminum tetrahydride anion	alh4-
99	C^-	Carbon atom anion	c-
100	C⁺	Carbon atom cation	c+
101	Si	Silicon atom	si
102	Si⁺	Silicon atom cation	si+
103	Ti	Titanium atom	ti
104	Ti^-	Titanium atom anion	ti-
105	Ti⁺	Titanium atom cation	ti+
106	Ge	Germanium atom	ge
107	Ge^-	Germanium anion	ge-
108	Ge⁺	Germanium cation	ge+
109	Sn	Tin atom	sn
110	Sn⁺	Tin cation	sn+
111	CH	Methylidyne	ch
112	CH^-	methylidyne anion	ch-
113	CH⁺	Methylidyne cation	ch+
114	SiH	Silylidyne	sih
115	SiH^-	silicon monohydride anion	sih-
116	SiH⁺	silicon monohydride cation	sih+
117	GeH	germylidene	geh
118	GeH⁺	Germaniun monohyrdide cation	geh+
119	CH₂	Methylene	ch2
120	CH₂⁺	methylene cation	ch2+
121	SiH₂	silicon dihydride	sih2
122	SiH₂^-	silicon dihydride anion	sih2-
123	SiH₂⁺	silicon dihydride cation	sih2+
124	GeH₂^-	germylene anion	geh2-
125	CH₃	Methyl radical	ch3
126	CH₃^-	methyl anion	ch3-
127	CH₃⁺	methyl cation	ch3+
128	SiH₃	Silyl radical	sih3
129	SiH₃^-	Silyl anion	sih3-
130	GeH₃	Germyl radical	geh3
131	GeH₃⁺	germyl cation	geh3+
132	CD₄	methane-d4	cd4
133	CH₂D₂	methane-d2	ch2d2
134	CH₃D	methane-d	ch3d
135	CH₄	Methane	ch4
136	CH₄^-	Methane anion	ch4-
137	CH₄⁺	Methane cation	ch4+
138	CHD₃	methane-d3	chd3
139	SiH₄	Silane	sih4
140	SiH₄⁺	Silane cation	sih4+
141	GeH₄	Germane	geh4
142	SnH₄	Stannane	snh4
143	N^-	Nitrogen atom anion	n-
144	N⁺	Nitrogen atom cation	n+
145	P^-	Phosphorus atom anion	p-
146	P⁺	Phosphorus atom cation	p+
147	V	Vanadium atom	v
148	V⁺	Vanadium atom cation	v+
149	Sb	Antimony atom	sb
150	NH	Imidogen	nh
151	NH^-	Imidogen anion	nh-
152	NH⁺	imidogen cation	nh+
153	PH^-	phosphorus monohydride anion	ph-
154	PH⁺	phosphorus monohydride cation	ph+
155	AsH	Arsenic monohydride	ash
156	AsH⁺	Arsenic monohydride cation	ash+
157	SbH	Antimony monohydride	sbh
158	ND₂	Amidogen-d2	nd2
159	NH₂^-	amino anion	nh2-
160	PH₂	Phosphino radical	ph2
161	PH₂^-	Phosphino anion	ph2-
162	PH₂⁺	Phosphino cation	ph2+
163	AsH₂	Arsenic dihydride	ash2
164	AsH₂⁺	Arsenic dihydride cation	ash2+
165	ND₃	Ammonia-d3	nd3
166	NH₃	Ammonia	nh3
167	NH₃^-	Ammonia anion	nh3-
168	NH₃⁺	ammonia cation	nh3+
169	AsH₃	Arsine	ash3
170	AsH₃⁺	Arsine cation	ash3+
171	SbH₃	Stibine	sbh3
172	AsH₄⁺	Arsonium	ash4+
173	NH₄	Ammonium radical	nh4
174	NH₄⁺	ammonium cation	nh4+
175	PH₄⁺	phosphonium cation	ph4+
176	O	Oxygen atom	o
177	O^-	Oxygen atom anion	o-
178	O⁺	Oxygen atom cation	o+
179	S	Sulfur atom	s
180	S^-	Sulfur atom anion	s-
181	S⁺	Sulfur atom cation	s+
182	Cr	Chromium atom	cr
183	Se	Selenium atom	se
184	Se^-	Selenium atom anion	se-
185	Se⁺	Selenium atom cation	se+
186	Te	Tellurium atom	te
187	Te⁺	Tellurium atom cation	te+
188	DO	Hydroxyl-d	od
189	OH^-	hydroxide anion	oh-
190	DS	Mercapto-d	ds
191	HS	Mercapto radical	hs
192	CrH	Chromium hydride	crh
193	CrH⁺	Chromium hydride cation	crh+
194	HSe	Selenium monohydride	hse
195	HSe^-	selenium monohydride anion	hse-
196	HSe⁺	selenium monohydride cation	hse+
197	TeH	Telluryl radical	teh
198	D₂O	Deuterium oxide	d2o
199	D₂S	Hydrogen sulfide-d2	d2s
200	H₂S	Hydrogen sulfide	h2s
201	H₂S^-	Hydrogen sulfide anion	h2s-
202	H₂S⁺	Hydrogen sulfide cation	h2s+
203	H₂Se⁺	Hydrogen selenide cation	h2se+
204	H₂Te	Hydrogen Telluride	h2te
205	H₃O⁺	hydronium cation	h3o+
206	H₃Se⁺	Hydrogen Selenide, protonated	h3se+
207	F	Fluorine atom	f
208	F^-	Fluorine atom anion	f-
209	F⁺	Fluorine atom cation	f+
210	Cl^-	Chlorine atom anion	cl-
211	Cl⁺	Chlorine atom cation	cl+
212	Mn	Manganese atom	mn
213	Br	Bromine atom	br
214	Br^-	Bromine atom anion	br-
215	Br⁺	Bromine atom cation	br+
216	I	Iodine atom	iodine
217	I^-	Iodine atom anion	iodine-
218	I⁺	Iodine atom cation	iodine+
219	DF	Hydrofluoric acid-d	df
220	HF	Hydrogen fluoride	hf
221	HF^-	hydrogen fluoride anion	hf-
222	HF⁺	hydrogen fluoride cation	hf+
223	DCl	Hydrochloric acid-d	dcl
224	HCl	Hydrogen chloride	hcl
225	HCl^-	hydrogen chloride anion	hcl-
226	HBr^-	hydrogen bromide anion	hbr-
227	HBr⁺	hydrogen bromide cation	hbr+
228	HI	Hydrogen iodide	hi
229	HI⁺	Hydrogen iodide cation	hi+
230	H₂F⁺	dihydrogen fluoride cation	h2f+
231	H₂Br⁺	protonated hydrogen bromide	h2br+
232	H₂I⁺	Iodonium	h2i+
233	Ne	Neon atom	ne
234	Ne^-	Neon atom anion	ne-
235	Ne⁺	Neon atom cation	ne+
236	Ar	Argon atom	ar
237	Ar^-	Argon atom anion	ar-
238	Ar⁺	Argon atom cation	ar+
239	Fe	Iron atom	fe
240	HeLi⁺	Helium Lithium cation	heli+
241	NeH	neon hydrogen	neh
242	NeH⁺	neon hydrogen cation	neh+
243	XeH⁺	Xenon, protonated	xeh+
244	H₂Ar	H2 Ar dimer	h2ar
245	Co	Cobalt atom	cobalt
246	Ni	Nickel atom	ni
247	Li₂	Lithium diatomic	li2
248	Li₂^-	lithium diatomic anion	li2-
249	Li₂⁺	lithium diatomic cation	li2+
250	NaLi	lithium sodium	lina
251	NaLi^-	lithium sodium anion	lina-
252	NaLi⁺	lithium sodium cation	lina+
253	LiK	Lithium Potassium	lik
254	Na₂	Sodium diatomic	na2
255	Na₂^-	sodium diatomic anion	na2-
256	Na₂⁺	sodium diatomic cation	na2+
257	NaK	Sodium Potassium	nak
258	NaK⁺	Sodium Potassium diatomic cation	nak+
259	K₂	Potassium diatomic	k2
260	Cu₂	Copper diatomic	cu2
261	LiBe	Lithium Beryllium	libe
262	LiMg	Lithium magnesium	limg
263	NaBe	Sodium Beryllium	nabe
264	NaMg	Sodium Magnesium	namg
265	Be₂	Beryllium diatomic	be2
266	Be₂^-	Beryllium diatomic anion	be2-
267	Be₂⁺	Beryllium diatomic cation	be2+
268	BeMg	Beryllium Magnesium	bemg
269	Mg₂	Magnesium diatomic	mg2
270	Mg₂^-	magnesium diatomic anion	mg2-
271	Mg₂⁺	magnesium diatomic cation	mg2+
272	Ca₂	Calcium diatomic	ca2
273	LiB	Lithium boride	lib
274	LiAl	Lithium Aluminum	lial
275	NaAl	Sodium aluminum	naal
276	BeB	Beryllium monoboride	beb
277	B₂	Boron diatomic	b2
278	B₂^-	Boron diatomic anion	b2-
279	B₂⁺	Boron diatomic cation	b2+
280	BAl	Boron Aluminum	bal
281	Al₂	Aluminum diatomic	al2
282	Al₂^-	aluminum diatomic anion	al2-
283	Al₂⁺	aluminum diatomic cation	al2+
284	BGa	Boron Gallium	bga
285	AlGa	Aluminum Gallium	alga
286	Ga₂	Gallium diatomic	ga2
287	LiBH₄	Lithium borohydride	libh4
288	HBHHBH	Diborane(4) C2V	hbhhbh
289	Al₂H₆	dialane	al2h6
290	Ga₂H₆	digallane	ga2h6
291	LiC	Lithium Carbide	lic
292	BeC	Beryllium Carbide	bec
293	BC	boron monocarbide	bc
294	BC^-	boron monocarbide anion	bc-
295	BC⁺	boron monocarbide cation	bc+
296	AlC	Aluminum carbide	alc
297	BSi	Boron silicide	bsi
298	C₂	Carbon diatomic	c2
299	C₂^-	carbon diatomic anion	c2-
300	C₂⁺	carbon diatomic cation	c2+
301	SiC	silicon monocarbide	sic
302	SiC^-	silicon monocarbide anion	sic-
303	SiC⁺	silicon monocarbide cation	sic+
304	Si₂	Silicon diatomic	si2
305	Si₂^-	silcon diatomic anion	si2-
306	Si₂⁺	silcon diatomic cation	si2+
307	GeC	Germanium monocarbide	gec
308	Ge₂	Germanium diatomic	ge2
309	C₂H	Ethynyl radical	c2h
310	C₂H^-	Ethynyl anion	c2h-
311	C₂H⁺	Ethynyl cation	c2h+
312	ZnCH₂	Zinc methylene	znch2
313	C₂H₂	Acetylene	c2h2
314	CCH₂	vinylidene	vinylidene
315	HCCH^-	acetylene anion	c2h2-
316	Si₂H₂	disilyne	si2h2
317	CuCH₃	monomethyl copper	cuch3
318	ZnCH₃	Zinc monomethyl	znch3
319	CH₂BH	methyleneborane	ch2bh
320	C₂H₃^-	vinyl anion	c2h3-
321	C₂H₃⁺	vinyl cation	c2h3+
322	C₂H₄	Ethylene	c2h4
323	C₂H₄^-	Ethylene anion	c2h4-
324	C₂H₄⁺	Ethylene cation	c2h4+
325	CH₃CH	methylmethylene	ch3ch
326	CH₂SiH₂	silaethylene	ch2sih2
327	Si₂H₄	Disilene	si2h4
328	CH₃BH₂	methylborane	ch3bh2
329	C₂H₅^-	Ethyl anion	c2h5-
330	C₂H₅⁺	Ethyl cation	c2h5+
331	C₂H₆	Ethane	c2h6
332	C₂H₆⁺	ethane cation	c2h6+
333	CH₃SiH₃	methyl silane	ch3sih3
334	Si₂H₆	disilane	si2h6
335	GeH₃CH₃	methyl germane	geh3ch3
336	C₂H₇⁺	Ethane, protonated	c2h7+
337	LiN	Lithium Nitride	lin
338	LiN⁺	Lithium Nitride cation	lin+
339	BeN	Beryllium mononitride	ben
340	BeN^-	Beryllium mononitride anion	ben-
341	BeN⁺	Beryllium mononitride cation	ben+
342	MgN	Magnesium Nitride	mgn
343	BN^-	boron nitride anion	bn-
344	AlN^-	aluminum mononitride anion	aln-
345	AlN⁺	aluminum mononitride cation	aln+
346	BP	Boron monophosphide	bp
347	AlP	Aluminum monophosphide	alp
348	GaN	Gallium mononitride	gan
349	GaP	Gallium monophosphide	gap
350	GaAs	Gallium arsenide	gaas
351	BN	boron nitride	bn
352	BN⁺	boron nitride cation	bn+
353	AlN	Aluminum nitride	aln
354	CN^-	cyanide anion	cn-
355	CN⁺	Cyano cation	cn+
356	CP	Carbon monophosphide	cp
357	CP^-	carbon monophosphide anion	cp-
358	CP⁺	carbon monophosphide cation	cp+
359	SiN	Silicon nitride	sin
360	SiN^-	silicon mononitride anion	sin-
361	SiN⁺	silicon mononitride cation	sin+
362	SiP^-	Silicon monophosphide anion	sip-
363	SiP⁺	Silicon monophosphide cation	sip+
364	TiN	Titanium mononitride	tin
365	N₂	Nitrogen diatomic	n2
366	N₂^-	nitrogen diatomic anion	n2-
367	N₂⁺	diatomic nitrogen cation	n2+
368	PN	Phosphorus mononitride	pn
369	PN^-	phosphorus nitride anion	pn-
370	PN⁺	phosphorus nitride cation	pn+
371	P₂	Phosphorus diatomic	p2
372	P₂^-	phosphorus diatomic anion	p2-
373	P₂⁺	phosphorus diatomic cation	p2+
374	AsN	Arsenic mononitride	asn
375	AsP	Arsenic monophosphide	asp
376	SbN	Antimony nitride	sbn
377	As₂	Arsenic diatomic	as2
378	HNB	hydrogen nitrogen boron	hnb
379	HNC	hydrogen isocyanide	hnc
380	HCN^-	Hydrogen cyanide anion	hcn-
381	HCP	Phosphaethyne	hcp
382	HCP⁺	Phosphaethyne cation	hcp+
383	NNH	Dinitrogen monohydride	nnh
384	HPO	Hydrogen phosphorus oxide	hpo
385	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
386	LiNH₂	lithium amide	linh2
387	HBNH	Boranimine	hbnh
388	CNH₂	Aminomethylidyne radical	cnh2
389	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
390	H₂CN	Dihydrogen cyanide radical	h2cn
391	H₂CN⁺	hydrocyanonium cation	h2cn+
392	HCNH	methyleneazane	hcnh
393	HCNH⁺	N-protonated HCN	hcnh+
394	H₂NN	Isodiazene	h2nn
395	N₂H₂	(E)-diazene	n2h2
396	N₂H₂	(Z)-Diazene	n2h2z
397	N₂H₂⁺	trans-diazene cation	n2h2+
398	CH₂NH	Methanimine	ch3n
399	CHNH₂	aminomethylene	chnh2
400	CHNH₂⁺	Aminocarbene cation	chnh2+
401	CH₂PH	Phosphaethene	ch3p
402	BH₂NH₂	Boranamine	bh2nh2
403	CH₂NH₂⁺	methyleneamine cation	ch2nh2+
404	N₂H₄	Hydrazine	n2h4
405	N₂H₄⁺	hydrazine cation	n2h4+
406	P₂H₄	Diphosphine	p2h4
407	CH₃NH₂	methyl amine	ch3nh2
408	CH₃NH₂⁺	methyl amine cation	ch3nh2+
409	CH₃PH₂	Methyl phosphine	ch3ph2
410	SiH₃NH₂	Silane, amino	sih3nh2
411	N₂H₅⁺	protonated hydrazine	n2h5+
412	BH₃NH₃	borane ammonia	bh3nh3
413	CH₃NH₃	methyl ammonium radical	ch3nh3
414	CH₃NH₃⁺	protonated methylamine	ch3nh3+
415	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
416	NH₃NH₃	Ammonia Dimer	nh3nh3
417	LiO	lithium oxide	lio
418	LiO^-	lithium oxide anion	lio-
419	LiO⁺	lithium oxide cation	lio+
420	LiS	Lithium monosulfide	lis
421	LiS⁺	Lithium sulfide cation	lis+
422	NaO	sodium monoxide	nao
423	NaO^-	sodium oxide anion	nao-
424	NaO⁺	sodium oxide cation	nao+
425	KO	Potassium monoxide	ko
426	KO⁺	Potassium monoxide cation	ko+
427	NaS	Sodium sulfide	nas
428	CuO	Copper Monoxide	cuo
429	LiSe	Lithium monoselenide	lise
430	BeO	beryllium oxide	beo
431	BeO^-	Beryllium monoxide anion	beo-
432	BeO⁺	Beryllium monoxide cation	beo+
433	BeS	beryllium sulfide	bes
434	MgO	magnesium oxide	mgo
435	MgO^-	magnesium oxide anion	mgo-
436	MgO⁺	magnesium oxide cation	mgo+
437	CaO	Calcium monoxide	cao
438	MgS	magnesium sulfide	mgs
439	MgS^-	magnesium sulfide anion	mgs-
440	MgS⁺	magnesium sulfide cation	mgs+
441	ZnO	zinc monoxide	zno
442	ZnS	Zinc sulfide	zns
443	BeS^-	Beryllium monosulfide anion	bes-
444	BeS⁺	Beryllium monosulfide cation	bes+
445	BO^-	boron monoxide anion	bo-
446	AlO	Aluminum monoxide	alo
447	AlO^-	Aluminum monoxide anion	alo-
448	AlO⁺	aluminum monoxide cation	alo+
449	BS	boron sulfide	bs
450	BS^-	boron monosulfide anion	bs-
451	BS⁺	boron monosulfide cation	bs+
452	AlS	Aluminum sulfide	als
453	AlS^-	aluminum monosulfide anion	als-
454	AlS⁺	aluminum monosulfide cation	als+
455	ScO	Scandium monoxide	sco
456	GaO	Gallium monoxide	gao
457	GaS	Gallium monosulfide	gas
458	BO⁺	boron monoxide cation	bo+
459	CO	Carbon monoxide	co
460	CO^-	carbon monoxide anion	co-
461	CS	carbon monosulfide	cs
462	CS^-	carbon monosulfide anion	cs-
463	CS⁺	carbon monosulfide cation	cs+
464	SiO	Silicon monoxide	sio
465	SiO^-	silicon monoxide anion	sio-
466	SiO⁺	silicon monoxide cation	sio+
467	SiS	silicon monosulfide	sis
468	SiS^-	silicon monosulfide anion	sis-
469	SiS⁺	silicon monosulfide cation	sis+
470	TiO	Titanium monoxide	tio
471	CSe	Carbon monoselenide	cse
472	CSe^-	Carbon monoselenide anion	cse-
473	CSe⁺	Carbon monoselenide cation	cse+
474	GeO	Germanium monoxide	geo
475	GeO⁺	Germanium monoxide cation	geo+
476	GeS	Germanium monosulfide	ges
477	GeSe	Germanium monoselenide	gese
478	NS	Mononitrogen monosulfide	ns
479	NS^-	nitrogen sulfide anion	ns-
480	NS⁺	nitrogen sulfide cation	ns+
481	PO	Phosphorus monoxide	po
482	PO^-	phosphorus monoxide anion	po-
483	PO⁺	phosphorus monoxide cation	po+
484	PS	phosphorus sulfide	ps
485	PS^-	phosphorus monosulfide anion	ps-
486	PS⁺	phosphorus monosulfide cation	ps+
487	VO	Vanadium monoxide	vo
488	AsO	Arsenic monoxide	aso
489	NSe	Nitrogen monoselenide	nse
490	AsS	Arsenic monosulfide	ass
491	PSe	Phosphorus monoselenide	pse
492	AsSe	Arsenic monoselenide	asse
493	O₂	Oxygen diatomic	o2
494	O₂^-	oxygen diatomic anion	o2-
495	O₂^--	dioxygen dianion	o2--
496	O₂⁺	diatomic oxygen cation	o2+
497	SO	Sulfur monoxide	so
498	SO^-	sulfur monoxide anion	so-
499	S₂^-	sulfur diatomic anion	s2-
500	S₂⁺	sulfur diatomic cation	s2+
501	SeO	Selenium monoxide	seo
502	SeO^-	selenium monoxide anion	seo-
503	SeO⁺	selenium monoxide cation	seo+
504	SeS	Selenium monosulfide	ses
505	SeS^-	selenium monosulfide anion	ses-
506	SeS⁺	selenium monosulfide cation	ses+
507	TeO	Tellurium monoxide	teo
508	Se₂	Selenium diatomic	se2
509	Se₂^-	selenium diatomic anion	se2-
510	Se₂⁺	selenium diatomic cation	se2+
511	Te₂	Tellurium diatomic	te2
512	NaOH	sodium hydroxide	naoh
513	KOH	Potassium hydroxide	koh
514	BeOH	beryllium monohydroxide	beoh
515	MgOH	magnesium hydroxide	mgoh
516	CaOH	Calcium monohydroxide	caoh
517	HBS	hydrogen boron sulfide	hbs
518	COH⁺	Carbon Monoxide, protonated	coh+
519	HCO	Formyl radical	hco
520	HCO⁺	Formyl cation	hco+
521	HCS	Thioformyl radical	hcs
522	HCS^-	Thioformyl anion	hcs-
523	HCS⁺	Thioformyl cation	hcs+
524	HNO	Nitrosyl hydride	hno
525	HNO^-	Nitrosyl hydride anion	hno-
526	NOH	Hydroxyimidogen	noh
527	NOH⁺	O-protonated nitric oxide	noh+
528	HNS	Sulfur imide	hns
529	HNS^-	Sulfur imide anion	hns-
530	HO₂	Hydroperoxy radical	ho2
531	HO₂^-	Hydroperoxy anion	ho2-
532	HO₂⁺	Hydroperoxy cation	ho2+
533	SOH	Sulfur Hydroxide	soh
534	HS₂	Thiosulfeno radical	hs2
535	H₂CO	Formaldehyde	h2co
536	HOCH	hydroxycarbene	hoch
537	H₂CS	Thioformaldehyde	h2cs
538	H₂CS^-	thioformaldehyde anion	h2cs-
539	H₂CS⁺	thioformaldehyde cation	h2cs+
540	H₂CSe	Selenoformaldehyde	h2cse
541	H₂NO	nitroxide	h2no
542	H₂O₂⁺	Hydrogen peroxide cation	h2o2+
543	H₂OO	water oxide	h2oo
544	HOSH	hydrogen thioperoxide	hosh
545	H₂S₂	Disulfane	h2s2
546	H₂S₂⁺	hydrogen disulfide cation	h2s2+
547	H₂Se₂	hydrogen diselenide	h2se2
548	CH₂OH	Hydroxymethyl radical	ch2oh
549	CH₂OH⁺	hydroxymethyl cation	ch2oh+
550	CH₃O	Methoxy radical	ch3o
551	CH₃O^-	methoxy anion	ch3o-
552	CH₃O⁺	Methoxy cation	ch3o+
553	CH₃S	thiomethoxy	ch3s
554	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
555	NH₃O	Ammonia Oxide	nh3o
556	H₂POH	Phosphinous acid	h2poh
557	H₃PO	Phosphine oxide	h3po
558	NH₂SH	Thiohydroxylamine	nh2sh
559	NH₃S	sulfidoazane	nh3s
560	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
561	CH₃OH	Methyl alcohol	ch3oh
562	CH₃OH^-	Methyl alcohol anion	ch3oh-
563	CH₃OH⁺	Methyl alcohol cation	ch3oh+
564	CH₃SH	Methanethiol	ch3sh
565	CH₃SH⁺	Methanethiol cation	ch3sh+
566	SiH₃OH	silanol	sih3oh
567	CH₃SeH	Methane selenol	ch3seh
568	NH₂OH₂⁺	protonated hydroxylamine	nh2oh2+
569	NH₃OH⁺	N-protonated hydroxylamine	nh3oh+
570	H₂OH₂O	water dimer	h2oh2o
571	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
572	CH₃SH₂⁺	protonated methylsulfide	ch3sh2+
573	H₂ONH₃	Water Ammonia Dimer	h2onh3
574	H₅O₂⁺	Dihydroxonium ion	h5o2+
575	LiF	lithium fluoride	lif
576	LiCl	lithium chloride	licl
577	LiCl^-	lithium chloride anion	licl-
578	LiCl⁺	lithium chloride cation	licl+
579	NaF	sodium fluoride	naf
580	NaF^-	sodium fluoride anion	naf-
581	NaF⁺	sodium fluoride cation	naf+
582	KF	Potassium Fluoride	kf
583	NaCl	Sodium Chloride	nacl
584	NaCl^-	sodium chloride anion	nacl-
585	NaCl⁺	sodium chloride cation	nacl+
586	KCl	Potassium Chloride	kcl
587	CuF	Copper monofluoride	cuf
588	LiBr	Lithium Bromide	libr
589	LiBr^-	lithium bromide anion	libr-
590	LiBr⁺	lithium bromide cation	libr+
591	CuCl	Copper monochloride	cucl
592	NaBr	Sodium Bromide	nabr
593	NaBr^-	sodium bromide anion	nabr-
594	NaBr⁺	sodium bromide cation	nabr+
595	KBr	Potassium Bromide	kbr
596	LiI	Lithium Iodide	lii
597	NaI	Sodium Iodide	nai
598	KI	Potassium Iodide	ki
599	LiF^-	lithium fluoride anion	lif-
600	LiF⁺	lithium fluoride cation	lif+
601	BeF	Beryllium monofluoride	bef
602	BeF^-	Beryllium monofluoride anion	bef-
603	BeF⁺	Beryllium monofluoride cation	bef+
604	BeCl	beryllium monochloride	becl
605	MgF	Magnesium monofluoride	mgf
606	MgF^-	magnesium fluoride anion	mgf-
607	MgF⁺	magnesium fluoride cation	mgf+
608	CaF	Calcium monofluoride	caf
609	MgCl	magnesium monochloride	mgcl
610	MgCl^-	magnesium monochloride anion	mgcl-
611	MgCl⁺	magnesium monochloride cation	mgcl+
612	CaCl	calcium monochloride	cacl
613	TiCl	Titanium Monochloride	ticl
614	ZnF	Zinc monofluoride	znf
615	ZnF^-	Zinc monofluoride anion	znf-
616	ZnF⁺	Zinc monofluoride cation	znf+
617	ZnCl	Zinc monochloride	zncl
618	CaBr	Calcium monobromide	cabr
619	BeCl^-	beryllium monochloride anion	becl-
620	BeCl⁺	beryllium monochloride cation	becl+
621	BF	Boron monofluoride	bf
622	BF^-	Boron monofluoride anion	bf-
623	BF⁺	Boron monofluoride cation	bf+
624	AlF	Aluminum monofluoride	alf
625	AlF^-	Aluminum monofluoride anion	alf-
626	AlF⁺	Aluminum monofluoride cation	alf+
627	BCl	boron monochloride	bcl
628	BCl^-	boron monochloride anion	bcl-
629	BCl⁺	boron monochloride cation	bcl+
630	AlCl	Aluminum monochloride	alcl
631	AlCl^-	aluminum monochloride anion	alcl-
632	AlCl⁺	aluminum monochloride cation	alcl+
633	ScF	Scandium monofluoride	scf
634	BBr	Boron monobromide	bbr
635	GaF	Gallium monofluoride	gaf
636	GaF⁺	Gallium monofluoride cation	gaf+
637	AlBr	Aluminum monobromide	albr
638	GaCl	Gallium monochloride	gacl
639	GaCl⁺	Gallium monochloride cation	gacl+
640	AlI	Aluminum monoiodide	ali
641	GaBr	Gallium monobromide	gabr
642	CF^-	carbon monofluoride anion	cf-
643	CF⁺	carbon monofluoride cation	cf+
644	CCl	carbon monochloride	ccl
645	CCl^-	carbon monochloride anion	ccl-
646	CCl⁺	carbon monochloride cation	ccl+
647	SiF	silicon monofluoride	sif
648	SiF^-	silicon monofluoride anion	sif-
649	SiF⁺	silicon monofluoride cation	sif+
650	SiCl	Clorosilylidyne	sicl
651	SiCl^-	silicon monochloride anion	sicl-
652	SiCl⁺	silicon monochloride cation	sicl+
653	GeF	Germanium monofluoride	gef
654	GeF⁺	Germanium monofluoride cation	gef+
655	GeCl	Germanium monochloride	gecl
656	GeCl⁺	Germanium monochloride cation	gecl+
657	SiBr	Silicon monobromide	sibr
658	SiBr⁺	Silicon monobromide cation	sibr+
659	NF	nitrogen fluoride	nf
660	NF^-	nitrogen monofluorine anion	nf-
661	NF⁺	nitrogen monofluoirde cation	nf+
662	NCl^-	nitrogen monochloride anion	ncl-
663	NCl⁺	nitrogen monochloride cation	ncl+
664	PF	phosphorus monofluoride	pf
665	PF^-	phosphorus monofluoride anion	pf-
666	PF⁺	phosphorus monofluoride cation	pf+
667	PCl	phosphorus chloride	pcl
668	PCl^-	phosphorus monochloride anion	pcl-
669	PCl⁺	phosphorus monochloride cation	pcl+
670	AsF	Arsenic monofluoride	asf
671	NBr	nitrogen monobromide	nbr
672	AsCl	Arsenic monochloride	ascl
673	PBr	Phosphorus monobromide	pbr
674	SbF	Antimony monofluoride	sbf
675	SbCl	Antimony monochloride	sbcl
676	FO	Oxygen monofluoride	fo
677	FO^-	flourine oxide anion	fo-
678	FO⁺	fluorine monoxide cation	fo+
679	ClO	Monochlorine monoxide	clo
680	ClO^-	chlorine monoxide anion	clo-
681	ClO⁺	chlorine monoxide cation	clo+
682	SF	Monosulfur monofluoride	sf
683	SF^-	sulfur monofluoride anion	sf-
684	SF⁺	sulfur monofluoride cation	sf+
685	SCl	sulfur monochloride	scl
686	SCl^-	sulfur monochloride anion	scl-
687	SCl⁺	sulfur monochloride cation	scl+
688	BrO	Bromine monoxide	bro
689	BrO^-	Bromine monoxide anion	bro-
690	BrO⁺	Bromine monoxide cation	bro+
691	SeF	Selenium monofluoride	sef
692	SBr	Sulfur monobromide radical	sbr
693	SBr⁺	Sulfur monobromide cation	sbr+
694	SeCl	Selenium monochloride	secl
695	IO	Iodine monoxide	io
696	SeBr	Selenium monobromide	sebr
697	BrCl	Bromine monochloride	brcl
698	F₂	Fluorine diatomic	f2
699	F₂^-	flourine diatomic anion	f2-
700	ClF^-	clorine monofluoride anion	clf-
701	ClF⁺	clorine monofluoride cation	clf+
702	Cl₂	Chlorine diatomic	cl2
703	Cl₂^-	chlorine diatomic anion	cl2-
704	BrF	Bromine monofluoride	brf
705	BrF^-	bromine fluoride anion	brf-
706	BrF⁺	bromine fluoride cation	brf+
707	BrCl^-	bromine chloride anion	brcl-
708	BrCl⁺	bromine chloride cation	brcl+
709	IF	Iodine monofluoride	if
710	Br₂	Bromine diatomic	br2
711	Br₂^-	bromine diatomic anion	br2-
712	Br₂⁺	bromine diatomic cation	br2+
713	ICl	Iodine monochloride	icl
714	IBr	Iodine monobromide	ibr
715	I₂	Iodine diatomic	i2
716	I₂⁺	Iodine diatomic cation	i2+
717	HCCl	Chloromethylene	hccl
718	HSiF	fluorosilylene	hsif
719	HSiCl	Chlorosilylene	hsicl
720	HSiBr	monobromosilylene	hsibr
721	CHBr	bromomethylene	chbr
722	HOF	Hypofluorous acid	hfo
723	DOCl	Hypochlorous acid-d	docl
724	HOCl	hypochlorous acid	hocl
725	HOBr	Hypobromous acid	hobr
726	HOBr⁺	Hypobromous acid cation	hobr+
727	HOI	Hypoiodous acid	hoi
728	F₂H⁺	Fluorine, protonated	f2h+
729	FHF	Hydrogen difluoride	fhf
730	FHF^-	Hydrogen difluoride anion	fhf-
731	Cl₂H⁺	Chlorine, protonated	cl2h+
732	CH₂Br	bromomethyl radical	ch2br
733	CH₂F⁺	fluoromethyl cation	ch2f+
734	CH₂Cl⁺	chloromethyl cation	ch2cl+
735	CH₂Cl	chloromethyl radical	ch2cl
736	NH₂F	monofluoroamine	nh2f
737	NH₂Cl	chloramine	nh2cl
738	H₂F₂	Hydrogen fluoride dimer	h2f2
739	CH₃F⁺	methyl fluoride cation	ch3f+
740	CD₃F	methylfluoride-d3	cd3f
741	CH₃F	Methyl fluoride	ch3f
742	CD₃Cl	methyl chloride d3	cd3cl
743	CH₃Cl⁺	Methyl chloride cation	ch3cl+
744	SiH₃F	monofluorosilane	sih3f
745	SiH₃Cl	chlorosilane	sih3cl
746	CH₃Br	methyl bromide	ch3br
747	GeH₃F	monofluorogermane	geh3f
748	GeH₃Cl	monochlorogermane	geh3cl
749	SiH₃Br	bromosilane	sih3br
750	CH₃I	methyl iodide	ch3i
751	SiH₃I	Silyl Iodide	sih3i
752	NH₃Cl⁺	protonated monochloroammonia	nh3cl+
753	CH₃ClH⁺	methyl chloride, protonated	ch3clh+
754	Ne₂	Neon diatomic	ne2
755	Ne₂⁺	Neon diatomic cation	ne2+
756	Ar₂	Argon diatomic	ar2
757	Ar₂⁺	Argon diatomic cation	ar2+
758	Li₃	Lithium trimer	li3
759	Li₃⁺	Lithium trimer cation	li3+
760	C₃⁺	carbon trimer cation	c3+
761	SiC₂	Silicon dicarbide	sic2
762	C₃H₃	cyclopropenyl radical	cpr
763	C₃H₃	Propargyl radical	propargyl
764	C₃H₃^-	Propargyl anion	c3h3-
765	C₃H₃⁺	cyclopropenyl cation	cpr+
766	C₃H₃⁺	Propargyl cation	c3h3+
767	C₃H₄	cyclopropene	cprop
768	CH₂CCH₂	allene	allene
769	CH₃CCH	propyne	propyne
770	C₃H₅	Allyl radical	allyl
771	C₃H₅⁺	Allyl cation	allyl+
772	CH₃CHCH	1-propenyl radical	ch3chch
773	Zn(CH₃)₂	dimethyl zinc	dmz
774	C₃H₆	Cyclopropane	c3h6
775	CH₂CHCH₃	Propene	propene
776	C₃H₇	n-Propyl radical	npropyl
777	C₃H₇⁺	cyclopropane, protonated	c3h7+
778	CH₃CHCH₃	Isopropyl radical	isopropyl
779	CH₃CHCH₃⁺	Isopropyl cation	prop2yl+
780	C₃H₈	Propane	propane
781	SiH₂(CH₃)₂	dimethylsilane	dms
782	Si₃H₈	trisilane	si3h8
783	LiCN	lithium cyanide	licn
784	NaCN	Sodium Cyanide	nacn
785	KCN	Potassium cyanide	kcn
786	CuCN	Copper cyanide	cucn
787	ZnCN	Zinc monocyanide	zncn
788	ZnNC	Zinc isocyanide	znnc
789	AlCN	Aluminum monocyanide	alcn
790	AlNC	Aluminum isocyanide	alnc
791	CN₂	3H-Diazirin-3-ylidene	cn2
792	CNN	Diazocarbene	cnn
793	NCN	Cyanoimidogen	ncn
794	N₃	azide radical	n3
795	N₃^-	azide anion	n3-
796	N₃⁺	azide cation	n3+
797	HCCN	cyanomethylene	hccn
798	HCNN	diazomethyl radical	hcnn
799	HN₃	hydrogen azide	hn3
800	HN₃⁺	Hydrazoic acid cation	hn3+
801	HNCNH	diiminomethane	hncnh
802	CH₂N₂	diazirine	ch2n2
803	CH₂NN	diazomethane	ch2nn
804	NH₂CN	cyanamide	cyanamide
805	HNNNH⁺	1,2-Triazadienium	n2h3+
806	NH₂NN⁺	hydrazoic acid, protonated	nh2nn+
807	CH₃CN	Acetonitrile	ch3cn
808	CH₃CN^-	acetonitrile anion	ch3cn-
809	CH₃CN⁺	Acetonitrile cation	ch3cn+
810	CH₃NC	methyl isocyanide	ch3nc
811	CHNCH₂	2H-Azirine	c157164
812	CHNHCH	1H-Azirine	chnhch
813	H₂CCNH	Ethenimine	ch2cnh
814	H₂CNCH	methyleneaminomethylene	ch2nch
815	HCCNH₂	Ethynamine	hccnh2
816	HCNCH₂⁺	2H-Azirine cation	hcnch2+
817	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
818	NCNH₃⁺	Cyanamide, protonated	ncnh3+
819	NH₂CNH⁺	cyanamide, cn protonated	nh2cnh+
820	NH₃CN⁺	cyanamide, amine protonated	nh3cn+
821	CH₂CHNH	vinylazine	ch2chnh
822	CH₃CHN	methylmethaniminyl radical	ch3chn
823	NHCHNH₂	aminomethanimine	cn2h4
824	C₂H₅N	Aziridine	c2h5n
825	CH₂CHNH₂	aminoethene	aminoethene
826	CH₂NCH₃	N-methylmethanimine	nmm
827	CH₃CHNH	ethanimine	ethanimine
828	NH₂BHNH₂	diaminoborane	nh2bhnh2
829	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
830	C₂H₆N⁺	aziridine, protonated	c2h6n+
831	NH₂CH₂NH₂	diaminomethane	nh2ch2nh2
832	CH₃CH₂NH₂	Ethylamine	etam
833	CH₃NHCH₃	Dimethylamine	ch3nhch3
834	CH₃PHCH₃	dimethylphosphine	ch3phch3
835	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
836	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
837	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
838	Li₂O	dilithium oxide	li2o
839	Li₂O⁺	dilithium oxide cation	li2o+
840	Li₂S	dilithium sulfide	li2s
841	Na₂O	disodium monoxide	na2o
842	Na₂S	Sodium sulfide	na2s
843	LiO₂	Lithium dioxide	lio2
844	NaO₂	Sodium superoxide	nao2
845	CCO	Dicarbon monoxide	cco
846	CNO^-	fulminate	cno-
847	NCO^-	cyanate	nco-
848	SCN	thiocyanato radical	scn
849	SCN^-	thiocyanide anion	scn-
850	BO₂	Boron dioxide	bo2
851	BO₂^-	Boron dioxide anion	bo2-
852	BO₂⁺	Boron dioxide cation	bo2+
853	N₂O^-	Nitrous oxide anion	n2o-
854	N₂O⁺	Nitrous oxide cation	n2o+
855	NNS	Nitrogen sulfide	nns
856	PPO	Phosphorus oxide phosphide	ppo
857	CO₂	Carbon dioxide	co2
858	CO₂^-	Carbon dioxide anion	co2-
859	CO₂⁺	Carbon dioxide cation	co2+
860	OCS⁺	Carbonyl sulfide cation	cos+
861	SiO₂	silicon dioxide	sio2
862	CS₂	Carbon disulfide	cs2
863	CS₂^-	Carbon disulfide anion	cs2-
864	CS₂⁺	Carbon disulfide cation	cs2+
865	TiO₂	Titanium dioxide	tio2
866	SiS₂	Silicon disulfide	sis2
867	GeO₂	Germanium dioxide	geo2
868	OCSe	Carbonyl selenide	ocse
869	SCSe	Carbon sulfide selenide	scse
870	GeS₂	Germanium disulfide	ges2
871	CSe₂	Carbon diselenide	cse2
872	SCTe	Carbon sulfide Telluride	scte
873	NO₂	Nitrogen dioxide	no2
874	NO₂^-	Nitrogen dioxide anion	no2-
875	NO₂⁺	Nitrogen dioxide cation	no2+
876	NSO	sulfinyl amidogen	NSO
877	PO₂	Phosphorus dioxide	po2
878	PO₂^-	Phosphorus dioxide anion	po2-
879	PO₂⁺	Phosphorus dioxide cation	po2+
880	SNO	Nitrogen oxide sulfide	sno
881	AsO₂	Aresenic dioxide	aso2
882	O₃	Ozone	o3
883	O₃^-	Ozone anion	o3-
884	O₃⁺	Ozone cation	o3+
885	SO₂	Sulfur dioxide	so2
886	SO₂^-	Sulfur dioxide anion	so2-
887	SO₂⁺	Sulfur dioxide cation	so2+
888	SSO	Disulfur monoxide	sso
889	S₃^-	Sulfur trimer anion	s3-
890	S₃⁺	Sulfur trimer cation	s3+
891	SeO₂	Selenium dioxide	seo2
892	SeO₂⁺	Selenium dioxide cation	seo2+
893	TeO₂	Tellurium Dioxide	teo2
894	HCCO	ketenyl radical	ketenyl
895	CS₂H⁺	Carbon disulfide, protonated	cs2h+
896	HCNO	fulminic acid	hcno
897	HNCO	Isocyanic acid	hnco
898	HOCN	cyanic acid	hocn
899	HNCS	Isothiocyanic acid	hncs
900	HSCN	thiocyanic acid	hscn
901	HCO₂^-	formate anion	hco2-
902	HNNO	nitrosoazane	hnno
903	HNNO⁺	Nitrous oxide, N-protonated	hnno+
904	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
905	HCOO	formate neutral radical	hcoo
906	HOCO	Hydrocarboxyl radical	hoco
907	HOCO⁺	Hydrocarboxyl cation	hoco+
908	HNO₂	Nitrous acid	hno2
909	HNO₂⁺	nitrous acid cation	hno2+
910	O₃H⁺	protonated ozone	o3h+
911	SO₂H⁺	protonated sulfur dioxide	so2h+
912	C₂H₂O	Oxirene	oxirene
913	CH₂CO	Ketene	ch2co
914	CH₂CO⁺	Ketene cation	ch2co+
915	HCCOH	ethynol	hccoh
916	CH₂CS	Thioketene	ch2cs
917	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
918	NH₂NO	Nitrosamide	nh2no
919	CH₂O₂	Dioxirane	diox
920	H₂COO	Dioxymethyl radical	h2coo
921	H₂COO⁺	dioxymethyl cation	h2coo+
922	HCOOH	Formic acid	ch2o2
923	H₂O₃	Hydrogen trioxide	h2o3
924	HSSSH	trisulfane	hsssh
925	NaOCH₃	Sodium methoxide	naoch3
926	CH₂BOH	hydroxy(methylene)borane	ch2boh
927	BH₃CO	Borane carbonyl	bh3co
928	CH₃BO	Borane, methyloxo-	ch3bo
929	CH₂CHO	Vinyloxy radical	ch2cho
930	CH₂COH⁺	ketene, protonated	ch2coh+
931	CH₃CO	Acetyl radical	ch3co
932	CH₃CO^-	Acetyl anion	ch3co-
933	CH₃CO⁺	acetyl cation	ch3co+
934	CH₂NOH	formaldoxime	ch2noh
935	CH₃NO	nitrosomethane	ch3no
936	CHONH₂	formamide	formamide
937	CNOH₃	1,2-oxaziridine	cnoh3
938	HOCHNH	hydroxymethylimine	hochnh
939	CHSNH₂	thioformamide	chsnh2
940	NHCHSH	Methanimidothioic acid	nhchsh
941	CH₂OOH	CH2OOH radical	ch2ooh
942	CH₃OO	methylperoxy radical	ch3oo
943	CH₃OO^-	methylperoxy anion	ch3oo-
944	CH₃OO⁺	methylperoxy cation	ch3oo+
945	C₂H₄O	Ethylene oxide	c2h4o
946	C₂H₄O⁺	ethylene oxide cation	c2h4o+
947	CH₂CHOH	ethenol	ch2choh
948	CH₃CHO	Acetaldehyde	ch3cho
949	CH₃CHO⁺	acetaldehyde cation	ch3cho+
950	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-	h2coch2+
951	C₂H₄S	Thiirane	thiirane
952	CH₂CHSH	Ethenethiol	ch2chsh
953	CH₃CHS	Thioacetaldehyde	ch3chs
954	H₂CONH₂⁺	protonated formamide	h2conh2+
955	NH₂CHOH⁺	Formamide, O-protonated	nh2choh+
956	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
957	CH₂(OH)₂	methanediol	ch2o2h2
958	CH₃OOH	Methyl peroxide	ch3ooh
959	CH₃SSH	Hydrogen methyl disulfide	ch3ssh
960	HSCH₂SH	Methanedithiol	ch4s2
961	H₂OH₂CO	water formaldehyde dimer	h2oh2co
962	C₂H₄OH⁺	ethylene oxide, protonated	c2h4oh+
963	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
964	CH₃CH₂O	Ethoxy radical	ethoxy
965	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
966	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
967	CH₃OCH₂	methoxymethyl radical	ch3och2
968	NH₂CH₂OH	aminomethanol	nh2ch2oh
969	CH₃CH₂OH	Ethanol	etoh
970	CH₃OCH₃	Dimethyl ether	meome
971	CH₃CH₂SH	ethanethiol	etsh
972	CH₃SCH₃	Dimethyl sulfide	mesme
973	CH₃SCH₃⁺	dimethyl sulfide cation	mesme+
974	CH₃SeCH₃	dimethylselenide	dmse
975	CH₃OHH₂O	methanol water dimer	ch3ohh2o
976	H₂OCH₃OH	water methanol dimer	h2och3oh
977	CuF₂	Copper difluoride	cuf2
978	ZnF₂	Zinc difluoride	znf2
979	CNF	iso cyanogen fluoride	cnf
980	FCN	Cyanogen fluoride	fcn
981	ClCN	chlorocyanogen	clcn
982	BrCN	Cyanogen bromide	brcn
983	FBO	Boron monofluoride monoxide	fbo
984	BeF₂	Beryllium fluoride	bef2
985	MgF₂	Magnesium fluoride	mgf2
986	BeCl₂	Beryllium chloride	becl2
987	MgCl₂	Magnesium dichloride	mgcl2
988	CaCl₂	Calcium Chloride	cacl2
989	ZnCl₂	Zinc dichloride	zncl2
990	BeBr₂	Beryllium bromide	bebr2
991	CaBr₂	Calcium dibromide	cabr2
992	CaF₂	Calcium difluoride	caf2
993	FCO	Carbonyl fluoride	fco
994	FCO⁺	Carbonyl fluoride cation	fco+
995	ClCO	carbonyl monochloride	clco
996	BF₂	Boron difluoride radical	bf2
997	FNO	Nitrosyl fluoride	fno
998	ClNO	Nitrosyl chloride	clno
999	FNS	Thionitrosyl fluoride	fns
1000	OPCl	Phosphorus oxychloride	opcl
1001	BrNO	Nitrosyl bromide	brno
1002	CF₂^-	Difluoromethylene anion	cf2-
1003	CF₂⁺	Difluoromethylene cation	cf2+
1004	CFCl	chlorofluoromethylene	cfcl
1005	SiF₂	Silicon difluoride	sif2
1006	SiF₂⁺	Silicon difluoride cation	sif2+
1007	CCl₂	dichloromethylene	ccl2
1008	CCl₂^-	dichloromethylene anion	ccl2-
1009	CCl₂⁺	dichloromethylene cation	ccl2+
1010	SiCl₂	Dichlorosilylene	sicl2
1011	GeF₂	Germanium difluoride	gef2
1012	GeCl₂	Germanium dichloride	gecl2
1013	CBr₂	dibromomethylene	cbr2
1014	FOO	Dioxygen monofluoride radical	foo
1015	FOO⁺	Fluorine dioxide cation	foo+
1016	ClOO	chloroperoxy radical	cloo
1017	ClOO⁺	chloroperoxy cation	cloo+
1018	OClO	Chlorine dioxide	oclo
1019	OClO⁺	Chlorine dioxide cation	oclo+
1020	ClSO	Sulfur chloride oxide	clso
1021	ClS₂	Sulfur chloride	cls2
1022	BrOO	Bromine dioxide	broo
1023	OBrO	Bromine dioxide radical	obro
1024	NF₂	Difluoroamino radical	nf2
1025	NF₂⁺	Difluoroamino cation	nf2+
1026	PF₂	Phosphorus difluoride	pf2
1027	PF₂⁺	Phosphorus difluoride cation	pf2+
1028	FClO	chlorosyl fluoride	fclo
1029	F₂O	Difluorine monoxide	f2o
1030	ClOF	Chlorine hypofluorite	clof
1031	SF₂	sulfur difluoride	sf2
1032	SF₂^-	sulfur difluoride anion	sf2-
1033	SF₂⁺	sulfur difluoride cation	sf2+
1034	Cl₂O	Dichlorine monoxide	cl2o
1035	SCl₂	Sulfur dichloride	scl2
1036	SeF₂	Selenium difluoride	sef2
1037	BrOCl	Bromine hypochlorite	brocl
1038	SeCl₂	Selenium Dichloride	secl2
1039	SBr₂	Sulfur dibromide	sbr2
1040	SeBr₂	Selenium dibromide	sebr2
1041	BrOBr	Bromine oxide	brobr
1042	F₃^-	trifluoride anion	f3-
1043	Cl₃^-	trichloride anion	cl3-
1044	Br₃^-	tribromide anion	br3-
1045	I₃^-	triiodide	i3-
1046	SFCl	Sulfur chloride fluoride	sfcl
1047	HCCF	Fluoroacetylene	hccf
1048	HCCF⁺	fluoroacetylene cation	hccf+
1049	HCCCl	Chloroacetylene	hcccl
1050	HCCBr	bromoacetylene	hccbr
1051	HFCO	formyl fluoride	hfco
1052	HFCO⁺	formyl fluoride cation	hfco+
1053	COHCl	Formyl chloride	cohcl
1054	COHBr	Formyl bromide	cohbr
1055	BHF₂	Difluoroborane	bhf2
1056	BHCl₂	Borane, dichloro-	bhcl2
1057	CHCl₂	dichloromethyl radical	chcl2
1058	CHF₂	difluoromethyl radical	chf2
1059	CHF₂⁺	difluoromethyl cation	chf2+
1060	CHFCl	Chlorofluoromethyl radical	chfcl
1061	CHFCl⁺	Chlorofluoromethyl cation	chfcl+
1062	CHCl₂⁺	dichloromethyl cation	chcl2+
1063	CHBr₂	dibromomethyl radical	chbr2
1064	HOClO	Chlorous acid	hoclo
1065	NHF₂	difluoramine	nhf2
1066	NHCl₂	dichloroamine	nhcl2
1067	CH₂F₂	Methane, difluoro-	ch2f2
1068	CH₂FCl	fluorochloromethane	ch2fcl
1069	SiH₂F₂	difluorosilane	sih2f2
1070	CH₂Cl₂	Methylene chloride	ch2cl2
1071	CH₂BrF	Methane, bromofluoro-	ch2fbr
1072	CH₂BrCl	Methane, bromochloro-	ch2clbr
1073	CH₂FI	fluoroiodomethane	ch2fi
1074	CH₂Br₂	dibromomethane	ch2br2
1075	CH₂ClI	chloroiodomethane	ch2cli
1076	CH₂BrI	bromoiodomethane	ch2bri
1077	CH₂I₂	Diiodomethane	ch2i2
1078	SiH₂Cl₂	dichlorosilane	sih2cl2
1079	CH₃MgBr	Methyl Magnesium Bromide	ch3mgbr
1080	CH₂CHF	Ethene, fluoro-	ch2chf
1081	CH₂CHF⁺	fluoroethene cation	ch2chf+
1082	C₂H₃Cl	Ethene, chloro-	ch2chcl
1083	C₂H₃Br	vinyl bromide	c2h3br
1084	C₂H₃I	Vinyl iodide	c2h3i
1085	CH₂FOH	fluoromethanol	ch2foh
1086	CH₃OCl	methyl hypochlorite	ch3ocl
1087	CH₂CH₂Cl	2-chloroethyl radical	ch2ch2cl
1088	CHClCH₃	1-chloroethyl radical	chclch3
1089	C₂H₅F	fluoroethane	c2h5f
1090	CH₃CH₂Cl	Ethyl chloride	c2h5cl
1091	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
1092	C₂H₅Br	Ethyl bromide	etbr
1093	C₂H₅I	Ethyl iodide	c2h5i
1094	KrF₂	Krypton difluoride	krf2
1095	XeF₂	Xenon difluoride	xef2
1096	B₄H₁₀	Tetraborane(10)	b4h10
1097	C₄	Carbon tetramer	c4
1098	C₄⁺	Carbon tetramer cation	c4+
1099	C₄H₂	Diacetylene	c4h2
1100	C₄H₂⁺	diacetlyene cation	c4h2+
1101	C₂H₃CCH	1-Buten-3-yne	c2h3cch
1102	C₄H₄	cyclobutadiene	cbd
1103	H₂CCCCH₂	Butatriene	h2cccch2
1104	C₄H₆	1-Methylcyclopropene	c3100047
1105	C₄H₆	Cyclobutene	c822355
1106	C₄H₆	Methylenecyclopropane	c6142730
1107	CH₂CCHCH₃	1,2-Butadiene	butad12
1108	CH₂CHCHCH₂	1,3-Butadiene	c106990
1109	CH₃CCCH₃	2-Butyne	c503173
1110	CHCCH₂CH₃	1-Butyne	c107006
1111	CH₃CHCHCH₂	methylallyl radical	c4h7
1112	C₄H₈	methylcyclopropane	mcp
1113	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
1114	CH₂CHCH₂CH₃	1-Butene	bute1
1115	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
1116	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
1117	B(CH₃)₃	trimethylborane	bme3
1118	Al(CH₃)₃	trimethyl aluminum	tma
1119	C(CH₃)₃	Tert-butyl radical	tbutyl
1120	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
1121	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
1122	CH₃CH(CH₃)CH₃	Isobutane	isobutane
1123	CH₃CH₂CH₂CH₃	Butane	butane
1124	SiH(CH₃)₃	trimethylsilane	trimsi
1125	Li₃N	trilithium nitride	li3n
1126	C₂N₂	Cyanogen	c2n2
1127	C₂N₂⁺	Cyanogen cation	c2n2+
1128	P₄	Phosphorus tetramer	p4
1129	As₄	Arsenic tetramer	as4
1130	HCCCN	Cyanoacetylene	hcccn
1131	HCCCN⁺	Cyanoacetylene cation	hcccn+
1132	H₂CNCN	cyanamide, methylene	ch2ncn
1133	HNCCNH	Ethenediimine	hnccnh
1134	C₃H₃N	acrylonitrile	ch2chcn
1135	C₃H₃N⁺	acrylonitrile cation	ch2chcn+
1136	CH₃N₃	methyl azide	ch3n3
1137	NH₂CCNH₂	Diaminoacetylene	daa
1138	NH₂CH₂CN	Aminoacetonitrile	aan
1139	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
1140	C₂H₅CN	ethyl cyanide	c2h5cn
1141	CH₅N₃	Guanidine	guanidine
1142	C₄H₆	Bicyclo[1.1.0]butane	c157335
1143	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	dmdiazz
1144	H₂NCHCHNH₂	diaminoethylene	dae
1145	CH₆N₃⁺	guanidinium	ch6n3+
1146	C₃H₇N	Cyclopropylamine	cpram
1147	CH₇N₃	triaminomethane	tam
1148	C₃H₇N	Azetidine	azet
1149	C₄H₈	cyclobutane	cbutane
1150	C₂H₈N₂	Ethylenediamine	ethdiam
1151	CH₃NHNHCH₃	dimethyl hydrazine	dmh
1152	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
1153	N(CH₃)₃	Trimethylamine	trimeam
1154	NH₂CH₂CH₂CH₃	1-Propanamine	pram1
1155	P(CH₃)₃	trimethylphosphine	tmp
1156	N(SiH₃)₃	trisilylamine	tsa
1157	As(CH₃)₃	trimethyl arsine	tmas
1158	(CH₃)₃NH⁺	protonated trimethyl amine	ptma
1159	C₃H₇NH₃⁺	n-propylamine, protonated	c3h7nh2
1160	Li₂O₂	dilithium dioxide	li2o2
1161	Na₂O₂	disodium dioxide	na2o2
1162	K₂O₂	dipotassium dioxide	k2o2
1163	C₃O	Tricarbon monoxide	c3o
1164	B₂O₂	Diboron dioxide	b2o2
1165	ONNO	NO dimer	onno
1166	S₂N₂	Disulfur dinitride	s2n2
1167	CO₃	Carbon trioxide	co3
1168	CO₃^--	carbonate	co3--
1169	CS₃^--	Carbonotrithioate	cs3--
1170	NO₃	Nitrogen trioxide	no3
1171	NO₃^-	nitrate anion	no3-
1172	NO₃⁺	nitrogen trioxide cation	no3+
1173	SO₃	Sulfur trioxide	so3
1174	SO₃^-	Sulfur trioxide anion	so3-
1175	SO₃^--	Sulfate dianion	so3--
1176	SO₃⁺	Sulfur trioxide cation	so3+
1177	SeO₃	selenium trioxide	seo3
1178	S₄	Sulfur tetramer	s4
1179	TeO₃	Tellurium trioxide	teo3
1180	HCO₃^-	bicarbonate anion	hco3-
1181	HNO₃	Nitric acid	hno3
1182	HSO₃	Hydroxysulfonyl radical	hso3
1183	NH₂NO₂	nitramide	nh2no2
1184	C₂H₂CO	cyclopropenone	c2h2co
1185	C₃H₂O	Propadienal	c3h2o
1186	HCCCHO	2-propynal	hcccho
1187	C₂H₂O₂	Ethanedial	c2h2o2
1188	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
1189	H₂CO₃	Carbonic acid	h2co3
1190	H₂CS₃	thiocarbonic acid	h2cs3
1191	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
1192	H₂SO₃	Sulfurous acid	h2so3
1193	C₂H₃NO	Nitrosoethylene	c2h3no
1194	CH₃NCO	methylisocyante	ch3nco
1195	HOCH₂CN	cyanomethanol	hoch2cn
1196	CH₃COO^-	acetate anion	ch3coo-
1197	CH₃NO₂	Methane, nitro-	ch3no2
1198	CH₃ONO	Methyl nitrite	ch3ono
1199	NH₂COOH	Carbamic acid	nh2cooh
1200	H₃BO₃	Boric acid	h3bo3
1201	H₃AlO₃	Aluminum hydroxide	h3alo3
1202	H₃CO₃⁺	carbonic acid, protonated	h3co3+
1203	C₃H₄O	2-Propyn-1-ol	c107197
1204	C₃H₄O	allenol	c9000071
1205	C₃H₄O	Cyclopropanone	cpone
1206	C₃H₄O	Methylketene	c6004440
1207	CH₂CHCHO	Acrolein	c3h4o
1208	NH₂CONH₂	Urea	urea
1209	NH₂CONH₂⁺	Urea cation	urea+
1210	NH₂CSNH₂	Thiourea	thiourea
1211	C₂H₄O₂	1,3-dioxetane	c2h4o2
1212	CH₃COOH	Acetic acid	ch3cooh
1213	CH₃OCHO	methyl formate	ch3ocho
1214	CHOCH₂OH	hydroxy acetaldehyde	haa
1215	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
1216	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
1217	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
1218	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
1219	HCOOHH₂O	Formic acid water dimer	hcoohh2o
1220	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
1221	CH₃COCH₂	Acetonyl radical	ch3coch2
1222	CH₂C(OH)NH₂	1-amino vinyl alchohol	ava
1223	CH₃C(OH)=NH	Ethaninidic acid	eia
1224	CH₃CHNOH	Acetaldoxime	acetaldoxime
1225	CH₃CONH₂	Acetamide	acetamide
1226	HCONHCH₃	N-methylformamide	nmfa
1227	CH₃CSNH₂	Ethanethioamide	ch3csnh2
1228	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
1229	H₂NCOHNH₂⁺	urea, protonated	ureah+
1230	C₂H₅OO	ethylperoxy radical	c2h5oo
1231	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	dmdiaze
1232	C₃H₅OH	Cyclopropanol	cproh
1233	C₃H₆O	2-Propen-1-ol	c107186
1234	C₃H₆O	Acetone enol	enol
1235	C₃H₆O	Oxetane	oxetane
1236	C₃H₆O	Propylene oxide	prox
1237	CH₃CH₂CHO	Propanal	propanal
1238	CH₃COCH₃	Acetone	acetone
1239	CH₃COCH₃^-	acetone anion	ch3coch3-
1240	C₃H₆S	Thietane	thietane
1241	C₃H₆S	Thiirane, methyl-	methiirane
1242	CH₃CSCH₃	Thioacetone	ch3csch3
1243	C₂H₆O₂	1,2-Ethanediol	ethdiol
1244	CH₃OOCH₃	dimethylperoxide	dmp
1245	CH₃SOCH₃	Dimethyl sulfoxide	dmso
1246	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
1247	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
1248	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
1249	HOCH₂CH₂NH₂	monoethanolamine	mea
1250	C₃H₇OH	1-Propanol	proh
1251	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
1252	CH₃OC₂H₅	Ethane, methoxy-	etome
1253	C₃H₇SH	1-Propanethiol	prsh
1254	CH₃CHSHCH₃	2-Propanethiol	isoprsh
1255	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
1256	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
1257	Li₂F₂	Lithium fluoride dimer	li2f2
1258	Na₂F₂	Sodium Fluoride Dimer	na2f2
1259	Na₂Cl₂	Disodium dichloride	na2cl2
1260	C₂F₂	difluoroacetylene	c2f2
1261	C₂Cl₂	dichloroacetylene	c2cl2
1262	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
1263	FNO₂	Nitryl fluoride	fno2
1264	FONO	Nitrosyl hypofluorite	fono
1265	ClNO₂	Nitryl chloride	clno2
1266	ClONO	chlorine nitrite	clono
1267	BrONO	Bromine nitrite	brono
1268	N₂F₂	(Z)-Difluorodiazene	n2f2_z
1269	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
1270	CF₂O	Carbonic difluoride	f2co
1271	CF₂O⁺	Carbonic difluoride cation	f2co+
1272	COFCl	Carbonic chloride fluoride	cofcl
1273	CCl₂O	Phosgene	cl2co
1274	Cl₂CS	Thiophosgene	cl2cs
1275	COBr₂	Carbonic dibromide	cobr2
1276	BF₃	Borane, trifluoro-	bf3
1277	BF₃^-	Borane, trifluoro- anion	bf3-
1278	BF₃⁺	boron trifluoride cation	bf3+
1279	AlF₃	Aluminum trifluoride	alf3
1280	BClF₂	Chlorodifluoroborane	bclf2
1281	AlF₂Cl	Aluminum chloride difluoride	alclf2
1282	ScF₃	Scandium trifluoride	ScF3
1283	AlFCl₂	Aluminum dichloride fluoride	alcl2f
1284	BCl₃	Borane, trichloro-	bcl3
1285	BCl₃⁺	Boron Trichloride cation	bcl3+
1286	GaF₃	Gallium trifluoride	gaf3
1287	AlCl₃	Aluminum trichloride	alcl3
1288	GaCl₃	Gallium trichloride	gacl3
1289	BBr₃	Boron tribromide	bbr3
1290	AlBr₃	Aluminum Bromide	albr3
1291	ClO₃	Chlorine trioxide	clo3
1292	ClO₃^-	chlorate anion	clo3-
1293	BrO₃^-	Bromate anion	bro3-
1294	CF₃	Trifluoromethyl radical	cf3
1295	CF₃^-	Trifluoromethyl anion	cf3-
1296	CF₃⁺	Trifluoromethyl cation	cf3+
1297	CF₂Cl	difluorochloromethyl radical	cf2cl
1298	SiF₃	Silicon trifluoride radical	sif3
1299	SiF₃⁺	Silicon trifluoride cation	sif3+
1300	CFCl₂	dichlorofluoromethyl radical	cfcl2
1301	CCl₃	Trichloromethyl radical	ccl3
1302	CCl₃^-	Trichloromethyl anion	ccl3-
1303	CCl₃⁺	Trichloromethyl cation	ccl3+
1304	SiCl₃	trichlorosilyl radical	sicl3
1305	SiCl₃⁺	trichlorosilyl cation	sicl3+
1306	CBr₃	tribromomethyl radical	cbr3
1307	FOOF	Perfluoroperoxide	foof
1308	ClO₂F	Chloryl fluoride	clo2f
1309	F₂SO	Thionyl Fluoride	f2so
1310	ClOOCl	Dichlorine dioxide	cloocl
1311	FSSF	Difluorodisulfane	fssf
1312	S₂F₂	Thio-thionyl fluoride	s2f2
1313	SOCl₂	thionyl chloride	socl2
1314	SSCl₂	Thiothionyl chloride	sscl2
1315	SeOCl₂	selenium oxychloride	seocl2
1316	NF₃	Nitrogen trifluoride	nf3
1317	NF₃^-	Nitrogen trifluoride anion	nf3-
1318	NF₃⁺	Nitrogen trifluoride cation	nf3+
1319	PF₃	Phosphorus trifluoride	pf3
1320	NCl₃	nitrogen trichloride	ncl3
1321	AsF₃	Arsenic trifluoride	asf3
1322	PCl₃	Phosphorus trichloride	pcl3
1323	SbF₃	Antimony Trifluoride	sbf3
1324	AsCl₃	Arsenous trichloride	ascl3
1325	SbCl₃	Antimony Trichloride	sbcl3
1326	NBr₃	Nitrogen Tribromide	nbr3
1327	PBr₃	Phosphorus tribromide	pbr3
1328	AsBr₃	Arsenic tribromide	asbr3
1329	NI₃	Nitrogen triiodide	ni3
1330	PI₃	Phosphorus triiodide	pi3
1331	ClSSCl	Disulfur dichloride	s2cl2
1332	SF₃	Sulfur trifluoride	sf3
1333	ClF₃	Chlorine trifluoride	clf3
1334	BrF₃	Bromine trifluoride	brf3
1335	IF₃	iodone trifluoride	if3
1336	HClO₃	Chloric Acid	hclo3
1337	CHF₃	Methane, trifluoro-	chf3
1338	CHF₂Cl	difluorochloromethane	chf2cl
1339	SiHF₃	trifluorosilane	sihf3
1340	CHFCl₂	fluorodichloromethane	chfcl2
1341	CDCl₃	trichloromethane-d	cdcl3
1342	CHCl₃	Chloroform	chcl3
1343	CHBrF₂	Methane, bromodifluoro-	chbrf2
1344	SiHCl₃	Trichlorosilane	sihcl3
1345	CHFClBr	fluorochlorobromomethane	chfclbr
1346	CHBrCl₂	Methane, bromodichloro-	chbrcl2
1347	CHF₂I	difluoroiodomethane	chf2i
1348	CHBr₂F	dibromofluoromethane	chbr2f
1349	CHFClI	fluorochloroiodomethane	chfcli
1350	CHCl₂I	dichloroiodomethane	chcl2i
1351	CHClBr₂	Methane, dibromochloro-	chclbr2
1352	CHBr₃	bromoform	chbr3
1353	CHI₃	Iodoform	chi3
1354	NF₃H⁺	protonated nitrogen trifluoride	nf3h+
1355	AsF₃H⁺	Arsenic trifluoride, protonated	asf3h+
1356	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
1357	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
1358	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
1359	C₂H₂ClF	1-chloro-1-fluoroethylene	c2h2clf
1360	CHFCHCl	(E)-1-chloro-2-fluoroethene	chfchcle
1361	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	chfchclz
1362	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
1363	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
1364	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
1365	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
1366	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-	chbrchbre
1367	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-	chbrchbrz
1368	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
1369	CH₃COF	Acetyl fluoride	ch3cof
1370	CH₂ClCHO	chloroacetaldehyde	ch2clcho
1371	CH₃COCl	Acetyl Chloride	ch3cocl
1372	C₂H₄F₂	1,2-difluoroethane	c2h4f2
1373	CH₃CHF₂	Ethane, 1,1-difluoro-	ch3chf2
1374	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
1375	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
1376	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	ch2clch2cl
1377	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
1378	CH₂BrCH₂Cl	1-bromo-2-chloroethane	ch2brch2cl
1379	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	ch2brch2br
1380	CH₂CFCH₃	2-fluoropropene	2fpro
1381	CH₂CHCH₂F	Allyl Fluoride	allylf
1382	CH₃CHCHF	trans-1-Fluoro-1-propene	propene1ft
1383	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
1384	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
1385	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
1386	CH₂FCH₂OH	2-fluoroethanol	ch2fch2oh
1387	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
1388	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
1389	CH₂FCH₂CH₃	1-Fluoropropane	prf1
1390	CH₃CHFCH₃	2-Fluoropropane	prf2
1391	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
1392	CH₃CHClCH₃	Propane, 2-chloro-	prcl2
1393	CH₃CH₂CH₂Br	n-propyl bromide	prbr
1394	CH₃CHBrCH₃	i-propyl bromide	iprbr
1395	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
1396	B₅H₉	pentaborane9	b5h9
1397	C₅H₄	pentatetraene	ptrene
1398	C₅H₅	cyclopentadienyl radical	c5h5
1399	C₅H₅^-	cylopentadienyl anion	c5h5-
1400	C₅H₆	1,3-Cyclopentadiene	c542927
1401	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
1402	C₅H₆	3-Penten-1-yne, (E)-	c2004695
1403	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
1404	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
1405	C₅H₆	Cyclopropylacetylene	c6746947
1406	C₅H₆	Propellane	propellane
1407	C₅H₇	1,3-pentadienyl radical	pdyl
1408	C₅H₇	cyclopentenyl radical	cpyl
1409	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
1410	C₅H₈	1,2-Pentadiene	c591957
1411	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
1412	C₅H₈	1,3-Pentadiene, (E)-	c2004708
1413	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
1414	C₅H₈	1,4-Pentadiene	c591935
1415	C₅H₈	1-pentyne	a1pentyne
1416	C₅H₈	2,3-Pentadiene	c591968
1417	C₅H₈	Bicyclo[1.1.1]pentane	bcp
1418	C₅H₈	Cyclobutane, methylene-	c1120565
1419	C₅H₈	Cyclopentene	c142290
1420	C₅H₈	Ethenylcyclopropane	c693867
1421	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
1422	C₅H₁₀	1-Butene, 2-methyl-	c563462
1423	C₅H₁₀	2-Butene, 2-methyl-	c513359
1424	C₅H₁₀	2-Pentene, (E)-	c646048
1425	C₅H₁₀	2-Pentene, (Z)-	c627203
1426	C₅H₁₀	Cyclopentane	c287923
1427	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
1428	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
1429	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
1430	C₅H₁₂	Butane, 2-methyl-	buta2
1431	C₅H₁₂	Pentane	pentane
1432	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
1433	Si(CH₃)₄	tetramethylsilane	tms
1434	N₂O₃	Dinitrogen trioxide	n2o3
1435	C₃H₂N₂	Malononitrile	c3h2n2
1436	CH₂N₄	1H-Tetrazole	1htz
1437	C₃H₃N₂	imidazolyl radical	im
1438	C₃H₃N₂^-	imidizolyl anion	im-
1439	C₂H₃N₃	1H-1,2,4-Triazole	c288880
1440	C₄H₄N	pyrrolide radical	c4h4n
1441	C₄H₄N^-	pyrrolide anion	c4h4n-
1442	C₃H₄N₂	1H-Imidazole	1himidaz
1443	C₃H₄N₂	1H-Pyrazole	1hpyraz
1444	C₃H₄N₂	2H-Imidazole	imid2h
1445	C₃H₄N₂	4H-Imidazole	imid4h
1446	C₄H₅N	(E)-2-Butenenitrile	c627269
1447	C₄H₅N	(Z)-2-Butenenitrile	c1190767
1448	C₄H₅N	2H-pyrrole	pyrrole2
1449	C₄H₅N	3H-pyrrole	pyrrole3
1450	C₄H₅N	Cyclopropanecarbonitrile	c5500210
1451	C₄H₅N	Pyrrole	pyrrole
1452	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
1453	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
1454	C₄H₆N⁺	pyrrole, beta-protonated	bppyr
1455	C₄H₆N⁺	pyrrole, protonated	ppyr
1456	C₃H₆N₂	3-Aminopropionitrile	c151188
1457	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	c4h7n
1458	CH₃CH₂CH₂CN	Butanenitrile	c109740
1459	C₅H₈	Bicyclo[2.1.0]pentane	c185944
1460	C₅H₈	Spiropentane	c157404
1461	C₄H₉N	Cyclobutylamine	cbam
1462	C₄H₉N	Pyrrolidine	pyrrolidine
1463	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
1464	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
1465	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
1466	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
1467	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
1468	NH(C₂H₅)₂	diethylamine	dea
1469	NC₄H₁₂⁺	tetramethyl ammonium cation	nc4h12+
1470	C₃O₂	Carbon suboxide	c3o2
1471	C₃O₂⁺	Carbon suboxide cation	c3o2+
1472	B₂O₃	diboron trioxide	b2o3
1473	MgCO₃	Magnesium Carbonate	mgco3
1474	BeCO₃	Beryllium Carbonate	beco3
1475	CaCO₃	Calcium Carbonate	caco3
1476	ONONO	Nitrosyl nitrite	onono
1477	PO₄^---	phosphate	po4---
1478	SO₄^--	sulfate	so4--
1479	HOONO₂	peroxy nitric acid	hoono2
1480	HSO₄^-	bisulfate anion	hso4-
1481	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
1482	C₃H₂O₂	Propiolic acid	c3h2o2
1483	CHOCOOH	oxo acetic acid	oaa
1484	CHOOCHO	diformyl ether	choocho
1485	H₂SO₄	Sulfuric acid	h2so4
1486	H₂SeO₄	Selenic acid	h2seo4
1487	C₃H₃NO	Isoxazole	isox
1488	C₃H₃NO	Oxazole	oxazole
1489	C₃H₃NS	Thiazole	thiazole
1490	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
1491	CH₃NO₃	Methyl nitrate	ch3no3
1492	H₃PO₄	Phosphoric Acid	h3po4
1493	C₄H₄O	Furan	furan
1494	C₄H₄O⁺	Furan cation	furan+
1495	CH₃COCCH	3-butyn-2-one	c1423605
1496	C₄H₄S	Thiophene	furans
1497	C₄H₄Se	selenophene	c4h4se
1498	C₃H₄O₂	β–Propiolactone	beta
1499	C₃H₄O₂	2-Propenoic acid	propenoic2
1500	C₃H₄O₂	Methyl glyoxal	megly
1501	C₃H₄O₂	propanedial	propanedial
1502	C₃H₄O₂	propenalol	propenalol
1503	HOCHCCHOH	allenediol	aldiol
1504	C₂H₄O₃	1,2,3-trioxolane	c2h4o3
1505	C₂H₄O₃	trioxolane124	triox
1506	HOCH₂COOH	Hydroxyacetic acid	hac
1507	CH₂CHCONH₂	Acrylamide	c79061
1508	CH₃OCH₂CN	Methoxyacetonitrile	c1738369
1509	CH₅N₃S	Hydrazinecarbothioamide	c79196
1510	H₂NCH₂COOH	Glycine	glycine
1511	CH₃SO₂NH₂	methanesulfonamide	ch3so2nh2
1512	C₄H₆O	cis-2-butenal	butenal2c
1513	C₄H₆O	Cyclobutanone	cbutone
1514	C₄H₆O	Furan, 2,3-dihydro-	furan23h
1515	C₄H₆O	Furan, 2,5-dihydro-	furan25h
1516	CH₂CHOCHCH₂	Vinyl ether	vinylether
1517	CHOCHCHCH₃	2-Butenal	butenal2
1518	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
1519	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
1520	CH₂CHSCHCH₂	Divinyl sulfide	divis
1521	C₂H₆N₂O	Urea, methyl-	c598505
1522	C₃H₆O₂	1,3-Dioxolane	dioxolane
1523	CH₃CH₂COOH	Propanoic Acid	propanoic
1524	CH₃COOCH₃	methyl acetate	aame
1525	HCOOC₂H₅	Ethyl formate	faee
1526	C₂H₆O₂S	Dimethyl sulfone	c67710
1527	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
1528	C₃H₇NO	dimethylformamide	dmf
1529	C₃H₇NO	Propanamide	propanam
1530	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
1531	C₄H₈O	Cyclobutanol	c2919235
1532	C₄H₈O	Furan, tetrahydro-	thf
1533	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
1534	CH₃COCH₂CH₃	2-Butanone	buta2one
1535	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
1536	CHOCH₂CH₂CH₃	Butanal	butanal
1537	C₄H₈S	Thiophene, tetrahydro-	tht
1538	C₃H₈O₂	1,3-Propanediol	c504632
1539	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
1540	C₃H₈O₂	Methane, dimethoxy-	c109875
1541	C₃H₈O₂	Propylene glycol	c57556
1542	C₃H₈S₂	1,3-Propanedithiol	c109808
1543	C₄H₁₀O	1-Butanol	butanol1
1544	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
1545	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
1546	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
1547	C₄H₁₀O	Ethoxy ethane	etoet
1548	C₄H₁₀O	Methyl propyl ether	meopr
1549	C₄H₁₀O	Propane, 2-methoxy-	c598538
1550	C₄H₁₀O⁺	1-Butanol cation	butanol1+
1551	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	tbush
1552	C₂H₅SC₂H₅	Diethyl sulfide	etset
1553	C₄H₉SH	1-Butanethiol	bush
1554	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
1555	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
1556	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
1557	FNO₃	Fluorine nitrate	fno3
1558	ClONO₂	Chlorine nitrate	clono2
1559	BrONO₂	Bromine nitrate	brono2
1560	TiCl₄	Titanium tetrachloride	ticl4
1561	ClO₄^-	perchlorate anion	clo4-
1562	BF₄^-	tetrafluoroboron anion	bf4-
1563	ClFO₃	Perchloryl fluoride	clfo3
1564	SO₂F₂	Sulfuryl fluoride	so2f2
1565	SO₂Cl₂	Sulfuryl chloride	so2cl2
1566	F₃NO	Nitrogen trifluoride oxide	f3no
1567	F₃PO	Phosphoryl fluoride	pf3o
1568	Cl₃PO	Phosphoryl chloride	pcl3o
1569	CF₄	Carbon tetrafluoride	cf4
1570	CF₃Cl	Methane, chlorotrifluoro-	cf3cl
1571	SiF₄	Silicon tetrafluoride	sif4
1572	CF₂Cl₂	difluorodichloromethane	cf2cl2
1573	TiF₄	Titanium tetrafluoride	tif4
1574	CFCl₃	Trichloromonofluoromethane	cfcl3
1575	CF₃Br	Bromotrifluoromethane	cf3br
1576	GeF₄	Germanium tetrafluoride	gef4
1577	CCl₄	Carbon tetrachloride	ccl4
1578	CCl₄⁺	Carbon tetrachloride cation	ccl4+
1579	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
1580	SiCl₄	Silane, tetrachloro-	sicl4
1581	CBrCl₂F	bromodichlorofluoromethane	cbrcl2f
1582	CF₃I	trifluoroiodomethane	cf3i
1583	CBrCl₃	Methane, bromotrichloro-	cbrcl3
1584	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
1585	GeCl₄	Germanium Tetrachloride	gecl4
1586	CBr₂ClF	dibromochlorofluoromethane	cbr2clf
1587	CBr₂Cl₂	dibromodichloromethane	cbr2cl2
1588	CCl₃I	trichloroiodomethane	ccl3i
1589	CFBr₃	fluorotribromomethane	cfbr3
1590	CFClBrI	fluorochlorobromoiodomethane	cfclbri
1591	CBr₃Cl	tribromochloromethane	cbr3cl
1592	CF₂I₂	difluorodiiodomethane	cf2i2
1593	CBr₄	Carbon tetrabromide	cbr4
1594	CCl₂I₂	dichlorodiiodomethane	ccl2i2
1595	SiBr₄	Silicon tetrabromide	sibr4
1596	CBr₃I	tribromoiododmethane	cbr3i
1597	GeBr₄	Germanium tetrabromide	gebr4
1598	CI₄	tetraiodomethane	ci4
1599	SiI₄	silicon tetraiodide	sii4
1600	ClOF₃	Chlorine trifluoride oxide	clof3
1601	SF₄	Sulfur tetrafluoride	sf4
1602	SeF₄	Selenium tetrafluoride	sef4
1603	SCl₄	Sulfur tetrachloride	scl4
1604	C₂HF₃	Trifluoroethylene	c2hf3
1605	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
1606	CHClCCl₂	Trichloroethylene	chclccl2
1607	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
1608	HClO₄	perchloric acid	hclo4
1609	HSO₃F	Fluorosulfonic acid	hso3f
1610	CF₃OH	trifluoromethanol	cf3oh
1611	CH₂ClCCCl	1,3-dichloropropyne	ch2clcccl
1612	CHClCCHCl	1,3-dichloroallene	chclcchcl
1613	CHCl₂CCH	3,3-dichloropropyne	chcl2cch
1614	CHCl₂CHO	dichloroacetaldehyde	chcl2cho
1615	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
1616	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
1617	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	ch2fchf2
1618	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
1619	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
1620	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
1621	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
1622	SiCl₃CH₃	methyltrichlorosilane	sicl3ch3
1623	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
1624	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
1625	SiH₃CCl₃	(trichloromethyl)silane	sih3ccl3
1626	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-	c4h5cl
1627	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
1628	CH₂FCH₂CH₂F	1,3-difluoropropane	ch2fch2ch2f
1629	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
1630	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
1631	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
1632	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
1633	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
1634	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
1635	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
1636	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
1637	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
1638	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	bute2cl1
1639	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
1640	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
1641	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
1642	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
1643	C₄H₉F	1-fluorobutane	butaf1
1644	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
1645	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
1646	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
1647	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
1648	XeF₄	Xenon tetrafluoride	xef4
1649	C₂H₂N₂O	Furazan	furazan
1650	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
1651	NH₃BF₃	Amminetrifluoroboron	nh3bf3
1652	C₆H₂	hexatriyne	c6h2
1653	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
1654	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
1655	C₆H₄	Benzyne	benzyne
1656	C₆H₅	phenyl	phenyl
1657	C₆H₅^-	phenyl anion	phenyl-
1658	C₆H₆	Prismane	prismane
1659	C₆H₆	1,2,4,5-Hexatetraene	ht1245
1660	C₆H₆	2,4-Hexadiyne	hexadiyne
1661	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
1662	C₆H₆	Benzene	benzene
1663	C₆H₆	Benzvalene	bv
1664	C₆H₆	Dewar Benzene	dewar
1665	C₆H₆	Hexa-1,5-diene-3-yne	hdy153
1666	C₆H₆	Trimethylenecycopropane	tmcp
1667	C₆H₆⁺	Benzene cation	c6h6+
1668	C₆H₇⁺	benzene, protonated	c6h7+
1669	C₆H₈	(E)-hexa-1,3,5-triene	c821078
1670	C₆H₈	(E)-hexa-2,3,4-triene	c59660650
1671	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
1672	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
1673	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
1674	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
1675	C₆H₈	3-Methylenecyclopentene	c930267
1676	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
1677	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
1678	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
1679	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
1680	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
1681	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
1682	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
1683	C₆H₁₀	1,5-Hexadiene	c592427
1684	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
1685	C₆H₁₀	1-Hexyne	hexyne1
1686	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
1687	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
1688	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
1689	C₆H₁₀	2-Hexyne	c764352
1690	C₆H₁₀	3-Hexyne	hexyne3
1691	C₆H₁₀	cyclohexene	cyclohexene
1692	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
1693	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
1694	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
1695	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
1696	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
1697	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
1698	C₆H₁₂	(E)-2-Hexene	e2hexene
1699	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
1700	C₆H₁₂	(E)-hex-3-ene	e3hexene
1701	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
1702	C₆H₁₂	(Z)-hex-2-ene	z2hexene
1703	C₆H₁₂	(Z)-hex-3-ene	z3hexene
1704	C₆H₁₂	2,3-dimethylbut-1-ene	c563780
1705	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
1706	C₆H₁₂	3-methylenepentane	c760214
1707	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
1708	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
1709	C₆H₁₂	Cyclohexane	cyclohexane
1710	C₆H₁₂	Cyclopentane, methyl-	c96377
1711	C₆H₁₂	Ethylcyclobutane	c4806615
1712	C₆H₁₂	hex-1-ene	hexene1
1713	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
1714	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
1715	C₆H₁₄	Hexane	hexane
1716	C₆H₁₄	Pentane, 2-methyl-	penta2
1717	C₆H₁₄	Pentane, 3-methyl-	penta3
1718	C₄N₂	2-Butynedinitrile	c4n2
1719	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine	n3p3
1720	C₄H₂N₂	Fumaronitrile	c4h2n2
1721	C₂H₂N₄	sym-tetrazine	ttz
1722	C₃H₃N₃	1,3,5-Triazine	triazine135
1723	CH₃N₅	5-Aminotetrazole	c4418615
1724	C₄H₄N₂	1,3-Diazine	diazine13
1725	C₄H₄N₂	Pyrazine	pyrazine
1726	C₄H₄N₂	Pyridazine	pyridazine
1727	C₄H₄N₂	Succinonitrile	c110612
1728	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
1729	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
1730	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
1731	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
1732	C₅H₅N	E-2,4-pentadienenitrile	bdcn
1733	C₅H₅N	Pyridine	pyridine
1734	B₃N₃H₆	borazine	borazine
1735	C₆H₆	Fulvene	fulvene
1736	C₅H₆N⁺	Pyridinium	c5h6n
1737	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
1738	C₅H₇N	(E)-2-Pentenenitrile	c26294984
1739	C₅H₇N	(E)-3-Pentenenitrile	c16529661
1740	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
1741	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
1742	C₅H₇N	Cyclobutanecarbonitrile	c4426113
1743	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
1744	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
1745	C₅H₉N	Pentanenitrile	c110598
1746	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
1747	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
1748	C₅H₁₁N	Cyclopentanamine	cypentam
1749	C₅H₁₁N	Piperidine	piper
1750	C₄H₁₂N₂	1,2-Butanediamine	c4426486
1751	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
1752	Li₂CO₃	Lithium Carbonate	li2co3
1753	Na₂CO₃	Sodium Carbonate	na2co3
1754	C₂O₄^--	oxalate anion	c2o4
1755	MgSO₄	Magnesium Sulfate	mgso4
1756	N₂O₄	Dinitrogen tetroxide	n2o4
1757	C₃H₂O₃	vinylene carbonate	vica
1758	C₂H₂O₄	Oxalic Acid	oxalic
1759	C₂H₃NO₃	Oxamic acid	oxamic
1760	C₄H₄O₂	2(5H)-Furanone	furanone
1761	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
1762	C₂H₄N₂O₂	Oxalamide	oxalamide
1763	C₂H₄N₂S₂	Ethanedithioamide	c79403
1764	C₂H₄CO₃	Ethylene carbonate	etco3
1765	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
1766	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
1767	C₂H₄O₄	Formic acid dimer	fadimer
1768	C₄H₅NO	3-Methylisoxazole	isox3m
1769	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
1770	C₄H₅NS	4-Methylthiazole	c693958
1771	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
1772	C₅H₆O	2H-Pyran	pyran2
1773	C₅H₆O	2-methylfuran	furan2m
1774	C₅H₆O	3-Methylfuran	furan3m
1775	C₅H₆O	Pentadienal	pdal
1776	C₅H₆S	Thiophene, 2-methyl-	c554143
1777	C₅H₆S	Thiophene, 3-methyl-	c616444
1778	C₄H₆O₂	γ–Butyrolactone	c96480
1779	C₄H₆O₂	2,3-Butanedione	c431038
1780	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
1781	C₄H₆O₂	Crotonic Acid	crot
1782	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
1783	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
1784	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
1785	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
1786	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
1787	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
1788	C₄H₆OS	Vinyl sulfoxide	c1115157
1789	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
1790	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
1791	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
1792	C₃H₆O₃	1,3,5-Trioxane	trioxane
1793	C₃H₆S₃	1,3,5-Trithiane	c3h6s3
1794	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
1795	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
1796	C₄H₇NO	2-Pyrrolidinone	c616455
1797	C₄H₇NO	Ethoxyacetonitrile	etoaccn
1798	C₄H₇NO	Methacrylamide	c79390
1799	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
1800	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
1801	C₃H₇ONO	Propyl nitrite	prono
1802	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
1803	CH₃CH(NH₂)COOH	Alanine	alanine
1804	CH₃NHCH₂COOH	Sarcosine	sarcosine
1805	NH₂CH₂CH₂COOH	β–alanine	betaalanine
1806	NH₂COOC₂H₅	Urethane	urethane
1807	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
1808	C₅H₈O	Cyclopentanone	c120923
1809	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
1810	C₅H₈O	Methyl cyclopropyl ketone	c765435
1811	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
1812	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	c96311
1813	NH₂CONHC₂H₅	Urea, ethyl-	c625525
1814	C₄H₈O₂	1,3-Dioxane	dioxan13
1815	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
1816	C₄H₈O₂	1,4-Dioxane	dioxan14
1817	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
1818	C₄H₈O₂	Ethyl acetate	c141786
1819	C₄H₈OS	s-Ethyl thioacetate	c625605
1820	C₃H₈O₃	1,2,3-Propanetriol	glycerin
1821	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
1822	C₄H₉NO	Butanamide	c541355
1823	C₄H₉NO	Propanamide, 2-methyl-	c563837
1824	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
1825	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
1826	C₅H₁₀O	2-methylbutyraldehyde	2meba
1827	C₅H₁₀O	2-Pentanone	mpk
1828	C₅H₁₀O	3-Pentanone	dek
1829	C₅H₁₀O	Cyclopentanol	c96413
1830	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
1831	C₅H₁₀O	Pentanal	pal
1832	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
1833	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
1834	C₅H₁₀S	Cyclopentanethiol	c1679078
1835	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
1836	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
1837	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
1838	C₄H₁₀O₂	1,3-Butanediol	budiol13
1839	C₄H₁₀O₂	1,4-Butanediol	budiol14
1840	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
1841	C₄H₁₀OS	Diethyl sulfoxide	c70291
1842	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
1843	C₄H₁₁NO	Diethylhydroxylamine	c3710847
1844	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
1845	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
1846	C₅H₁₂O	1-Pentanol	pentanol1
1847	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
1848	C₅H₁₂O	2-Pentanol	peol2
1849	C₅H₁₂O	3-Pentanol	pentan3ol
1850	C₅H₁₂O	Butane, 1-methoxy-	meobu
1851	C₅H₁₂O	Propane, 1-ethoxy-	proet
1852	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
1853	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
1854	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
1855	C₅H₁₂S	1-Pentanethiol	c110667
1856	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
1857	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
1858	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
1859	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
1860	C₅H₁₂S	Ethyl propyl sulfide	c4110503
1861	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
1862	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
1863	C₄F₂	difluorobutadiyne	c4f2
1864	ClCOClCO	Oxalyl chloride	oxcl
1865	CF₃CN	Acetonitrile, trifluoro-	cf3cn
1866	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
1867	B₂F₄	Diboron tetrafluoride	b2f4
1868	B₂Cl₄	Diboron tetrachloride	b2cl4
1869	C₂F₄	Tetrafluoroethylene	c2f4
1870	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
1871	C₂ClF₃	Ethene, chlorotrifluoro-	c2f3cl
1872	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
1873	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
1874	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
1875	C₂FCl₃	fluorotrichloroethene	c2fcl3
1876	C₂Cl₄	Tetrachloroethylene	c2cl4
1877	C₂Br₄	tetrabromoethene	c2br4
1878	CF₃OF	Trifluoromethylhypofluorite	cf3of
1879	SiF₅^-	silicon pentafluoride anion	sif5-
1880	SOF₄	Sulfur tetrafluoride oxide	sof4
1881	PF₅	Phosphorus pentafluoride	pf5
1882	AsF₅	Arsenic pentafluoride	asf5
1883	PCl₅	Phosphorus pentachloride	pcl5
1884	SF₅	Sulfur pentafluoride	sf5
1885	SF₅⁺	pentafluoro sulfur cation	sf5+
1886	SbCl₅	Antimony pentachloride	sbcl5
1887	BrF₅	bromine pentafluoride	brf5
1888	ClF₅	chlorinepentafluoride	clf5
1889	IF₅	pentafluoroiodine	if5
1890	CF₃CHO	trifluoroacetaldehyde	cf3cho
1891	CCl₃CHO	trichloroacetaldehyde	ccl3cho
1892	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
1893	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
1894	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	chf2chf2
1895	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
1896	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
1897	CH₂ClCCl₃	1,1,1,2-tetrachloroethane	ch2clccl3
1898	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-	chcl2chcl2
1899	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane	c2h2br4
1900	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
1901	CF₃COOH	trifluoroacetic acid	cf3cooh
1902	C₄H₃ClO	Furan, 2-chloro	fur2cl
1903	C₄H₃ClO	Furan,3-chloro	fur3cl
1904	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
1905	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
1906	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
1907	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
1908	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
1909	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
1910	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
1911	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
1912	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
1913	C₄H₈O₂	Butanoic acid	bua
1914	C₆H₅CH₂	benzyl radical	benzyl
1915	C₇H₇	cycloheptatrienyl radical	c7h7
1916	C₇H₇⁺	cycloheptatrienyl cation	c7h7+
1917	C₆H₅CH₃	toluene	toluene
1918	C₇H₈	cycloheptatriene	cht
1919	C₇H₈	Norbornadiene	norbor
1920	C₇H₈	Quadricyclane	qucy
1921	C₇H₁₂	Norbornane	nor
1922	C₇H₁₄	cycloheptane	c7h14
1923	C₇H₁₆	2-methylhexane	2mhex
1924	C₇H₁₆	3-methylhexane	hex3m
1925	C₇H₁₆	heptane	heptane
1926	CH(CN)₃	tricyanomethane	mecn3
1927	HN=C=C(CN)₂	Dicyanoketenimine	c4hn3
1928	C₆H₇N	2-Methylpyridine	mp
1929	C₆H₅NH₂	aniline	aniline
1930	C₆H₁₃N	2-Methylpiperidine	pip2m
1931	C₆H₁₃N	cyclohexanamine	cham
1932	C₆H₁₅N	triethylamine	tea
1933	N₂O₅	Dinitrogen pentoxide	n2o5
1934	C₄H₂O₃	Maleic Anhydride	malan
1935	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1936	C₅H₄O₂	furfural	furfural
1937	C₆H₅O	phenoxy radical	phenoxy
1938	C₅H₅NO	2(1H)-Pyridinone	c72762006
1939	C₅H₅NO	2(3H)-Pyridinone	c9000048
1940	C₅H₅NO	2(5H)-Pyridinone	c9000037
1941	C₅H₅NO	2-Pyridinol	c109104
1942	C₅H₅NO	3(2H)-Pyridinone	c9000004
1943	C₅H₅NO	3(4H)-Pyridinone	c9000026
1944	C₅H₅NO	3(6H)-Pyridinone	c9000015
1945	C₅H₅NO	3-Pyridinol	c109002
1946	C₅H₅NO	4(1H)-Pryidinone	c9000060
1947	C₅H₅NO	4(3H)-Pryidinone	c9000059
1948	C₅H₅NO	4-Pyridinol	c626642
1949	C₆H₅OH	phenol	phenol
1950	C₆H₆O	2,4-Cyclohexadienone	c24599573
1951	C₆H₆O	2,5-Cyclohexadienone	c5664335
1952	C₆H₅SH	Benzenethiol	phsh
1953	HO₂CCHNH₂CH₂OH	Serine	serine
1954	C₅H₈O₂	Acetylacetone	acac
1955	C₄H₈O₂S	Sulfolane	sulfolane
1956	C₇H₁₀	Norbornene	norbornene
1957	CH(C₂H₃)₃	trivinyl methane	tvm
1958	C₆H₁₀O	cyclohexanone	chexo
1959	C₆H₁₂O	hexanal	c6h12o
1960	C₆H₁₂O	Oxepane	oxepane
1961	C₃H₇OC₃H₇	di-n-propyl ether	propr
1962	F₂CCCF₂	tetrafluoroallene	pfa
1963	CF₃COO^-	trifluoro acetate anion	cf3coo-
1964	CF₃COF	trifluoroacetyl fluoride	cf3cof
1965	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1966	PF₆	Hexafluorophosphate neutral	pf6
1967	PF₆^-	Hexafluorophosphate ion	pf6-
1968	SF₆	Sulfur Hexafluoride	sf6
1969	SeF₆	Selenium hexafluoride	sef6
1970	SF₅Cl	sulfur chloropentafluoride	sf5cl
1971	CF₃CHF₂	pentafluoroethane	cf3chf2
1972	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1973	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1974	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1975	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1976	C₆H₅F	Fluorobenzene	bzf
1977	C₆H₅Cl	chlorobenzene	bzcl
1978	C₆H₅Br	bromobenzene	bzbr
1979	C₈H₆	Calicene	calicene
1980	C₆H₅CCH	phenylacetylene	phac
1981	C₈H₆	benzocyclobutadiene	bcbd
1982	C₈H₆	Pentalene	pentalene
1983	C₆H₅CHCH₂	Styrene	styrene
1984	C₈H₈	cubane	cubane
1985	C₈H₈	cyclooctatetraene	cot
1986	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1987	CH₃C₆H₄CH₃	meta-xylene	mxylene
1988	CH₃C₆H₄CH₃	paraxylene	pxylene
1989	C₈H₁₄	Bicyclo[2.2.2]octane	bico222
1990	C₈H₁₆	cyclooctane	cyclooct
1991	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
1992	C₈H₁₈	Octane	c8h18
1993	C₆H₅CN	phenyl cyanide	phcn
1994	C₆H₁₂N₂	Triethylenediamine	ted
1995	C₄O₄^--	squarate dianion	c4o4--
1996	S₄N₄	Tetrasulfur tetranitride	s4n4
1997	S₈	Octasulfur	s8
1998	C₆H₄O₂	parabenzoquinone	pbq
1999	C₄H₄N₂O₂	Uracil	uracil
2000	C₆H₅CHO	benzaldehyde	benzal
2001	C₆H₅OCH₃	Anisole	anisole
2002	C₅H₉NO₂	Proline	proline
2003	C₆H₁₂O₂	Methyl pivalate	c598981
2004	C₆H₁₂O₂	Hexanoic acid	hexa
2005	C₄F₄	tetrafluorcyclobutadiene	c4f4
2006	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	al2cl6
2007	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
2008	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
2009	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
2010	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
2011	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
2012	C₂F₆	hexafluoroethane	c2f6
2013	C₂Cl₆	hexachloroethane	c2cl6
2014	IF₇	Iodine heptafluoride	if7
2015	C₆H₄F₂	metadifluorobenzene	mdfb
2016	C₆H₄F₂	orthodifluorobenzene	odfb
2017	C₆H₄F₂	1,4-difluorobenzene	pdfb
2018	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
2019	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
2020	C₆H₄Cl₂	1,4-dichlorobenzene	dcb14
2021	C₆H₅NO	nitrosobenzene	bzno
2022	C₉H₈	Indene	indene
2023	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	snt
2024	C₉H₁₂	n-propyl benzene	prbz
2025	C₉H₂₀	Nonane	nonane
2026	C(CN)₄	tetracyanomethane	c5n4
2027	C₅H₄N₄	purine	purine
2028	C₈H₇N	Indole	indole
2029	C₃H₃N₃O₃	cyanuric acid	cyanuric
2030	C₆H₅NO₂	Nitrobenzene	c6h5no2
2031	C₆H₅COOH	benzoic acid	benzo
2032	CH₃COC₆H₅	acetophenone	acph
2033	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
2034	C₃F₆	hexafluoropropene	c3f6
2035	C₆H₃F₃	Benzene trifluoride 123	bzf3a
2036	C₈H₁₈O	1-Octanol	octanol
2037	C₁₀H₈	Azulene	azu
2038	C₁₀H₈	naphthalene	naph
2039	C₁₀H₁₀	bullvalene	bullv
2040	C₁₀H₁₆	adamantane	adamantane
2041	C₆N₄	Tetracyanoethylene	tcne
2042	C₆N₄^-	tetracyanoethylene anion	tcne-
2043	C₁₀H₂₂	Decane	decane
2044	C₄F₆	perfluorobutadiene	c4f6
2045	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
2046	C₃F₈	perfluoropropane	c3f8
2047	Fe(CO)₅	Iron pentacarbonyl	ipc
2048	Fe(C₅H₅)₂	ferrocene	fecp2
2049	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
2050	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
2051	C₁₂H₈	Acenaphthylene	acenaph
2052	C₁₂H₈	biphenylene	biph
2053	C₁₂H₁₀	biphenyl	biphenyl
2054	C₁₂H₁₀	Heptalene	heptalene
2055	C₆H₁₂O₆	Inositol	inositol
2056	C₆F₆	hexafluorobenzene	c6f6
2057	S₂F₁₀	disulphur decafluoride	s2f10
2058	C₁₃H₁₀	Fluorene	fluorene
2059	C₁₄H₁₀	Anthracene	anth
2060	C₁₄H₁₀	Phenanthrene	phenanthrene
2061	C₁₄H₁₄	Bibenzyl	bibenzyl
2062	C₁₂H₁₀N₂	azobenzene	azobenzene
2063	C₆H₅COC₆H₅	benzophenone	benzophenone
2064	C₁₆H₁₀	Pyrene	pyrene
2065	C₁₈H₁₂	Tetracene	tetracene
2066	C₁₉H₁₆	Triphenylmethane	tpm
2067	C₂₄H₁₂	Coronene	coronene
2068	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