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

List of which calculations are completed at QCISD(T) /cc-pVDZ

count	Species	Name	State	Conformation
1	D	Deuterium atom	¹S	K_h
2	H	Hydrogen atom	¹S	K_h
3	H^-	Hydrogen atom anion	²S	K_h
4	H⁺	Hydrogen atom cation		K_h
5	D₂	Deuterium diatomic	¹Σ_g	D_∞h
6	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
7	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
8	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
9	HD	Deuterium hydride	¹Σ_g	D_∞h
10	H₃⁺	hydrogen trimer cation	¹A₁^'	D_3h
11	He	Helium atom	¹S	K_h
12	He	Helium atom
13	He^-	Helium atom anion	²S	K_h
14	He⁺	Helium atom cation	²S	K_h
15	HeH⁺	Helium hydride cation	¹Σ	C_∞v
16	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
17	Li	Lithium atom	²S	K_h
18	Li^-	Lithium atom anion	¹S	K_h
19	Li⁺	Lithium atom cation	¹S	K_h
20	Na	Sodium atom	²S	K_h
21	Na^-	Sodium atom anion	¹S	K_h
22	LiH	Lithium Hydride	¹Σ	C_∞v
23	LiH^-	lithium hydride anion	²Σ	C_∞v
24	LiH⁺	lithium hydride cation	²Σ	C_∞v
25	NaH	sodium hydride	¹Σ	C_∞v
26	NaH^-	sodium hydride anion	²Σ	C_∞v
27	NaH⁺	sodium hydride cation	²Σ	C_∞v
28	Be	Beryllium atom	¹S	K_h
29	Be⁺	Beryllium atom cation	²S	K_h
30	Mg	Magnesium atom	¹S	K_h
31	Mg^-	Magnesium atom anion	²P	K_h
32	Mg⁺	Magnesium atom cation	²S	K_h
33	Ca	Calcium atom	¹S	K_h
34	BeH	beryllium monohydride	²Σ	C_∞v
35	BeH^-	berylium monohydride anion	¹Σ	C_∞v
36	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
37	MgH	magnesium monohydride	²Σ	C_∞v
38	MgH^-	magnesium monohydride anion	¹Σ	C_∞v
39	MgH⁺	magnesium monohydride cation	¹Σ	C_∞v
40	CaH	Calcium monohydride	²Σ	C_∞v
41	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
42	TiH	Titanium monohydride	⁴Φ	C_∞v
43	ZnH⁺	Zinc, protonated
44	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
45	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
46	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
47	BeH₂⁺	Beryllium dihydride cation
48	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
49	B	Boron atom	²P	K_h
50	B	Boron atom	⁴P	K_h
51	B⁺	Boron atom cation	¹S	K_h
52	Al	Aluminum atom	²P	K_h
53	Al^-	Aluminum atom anion	³P	K_h
54	Al⁺	Aluminum atom cation	¹S	K_h
55	Sc	Scandium atom	²D	K_h
56	Sc⁺	Scandium cation	³D	K_h
57	Ga	Gallium atom	²P
58	Ga^-	Gallium atom anion	³P	O_h
59	Ga⁺	Gallium atom cation	¹S
60	BH	Boron monohydride	¹Σ	C_∞v
61	BH	Boron monohydride	³Π	C_∞v
62	BH^-	boron monohydride anion	²Π	C_∞v
63	BH^-	boron monohydride anion	⁴Σ	C_∞v
64	BH⁺	boron monohydride cation	²Σ	C_∞v
65	AlH	aluminum monohydride	¹Σ	C_∞v
66	AlH^-	aluminum monohydride anion	²Π	C_∞v
67	AlH⁺	aluminum monohydride cation	²Σ	C_∞v
68	ScH	Scandium monohydride	¹Σ	C_∞v
69	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
70	GaH	Gallium monohydride	¹Σ	C_∞v
71	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
72	BH₂	boron dihydride	²A₁	C_2v
73	BH₂^-	boron dihydride anion	³B₁	C_2v
74	BH₂^-	boron dihydride anion	¹A₁	C_2v
75	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
76	AlH₂	aluminum dihydride	²A₁	C_2v
77	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
78	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
79	BH₃	boron trihydride	¹A₁^'	D_3h
80	BH₃^-	boron trihydride anion	²A₂^"	D_3h
81	BH₃⁺	boron trihydride cation	²E^'	D_3h
82	BH₃⁺	boron trihydride cation	²B₂	C_2v
83	BH₃⁺	boron trihydride cation		C_2v
84	AlH₃	aluminum trihydride	¹A₁^'	D_3h
85	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
86	AlH₃^-	aluminum trihydride anion		C_3v
87	AlH₃⁺	aluminum trihydride cation	²E	D_3h
88	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
89	ScH₃	Scandium trihydride	¹A₁^'	D_3h
90	ScH₃	Scandium trihydride	¹A₁	C_3v
91	GaH₃	Gallium trihydride	¹A₁^'	D_3h
92	BH₄	borohydride	²B₂	C_2v
93	BH₄^-	borohydride anion	¹A₁	T_d
94	C	Carbon atom	³P₀	K_h
95	C	Carbon atom	³P₁	K_h
96	C^-	Carbon atom anion	²D	K_h
97	C⁺	Carbon atom cation	²P	K_h
98	Si	Silicon atom	³P	K_h
99	Si	Silicon atom	¹S	K_h
100	Si^-	Silicon atom anion	⁴S	K_h
101	Si⁺	Silicon atom cation	²P	K_h
102	Ge	Germanium atom	³P	K_h
103	Ge^-	Germanium anion	⁴S	K_h
104	Ge⁺	Germanium cation	²P	K_h
105	CH	Methylidyne	²Π_1/2	C_∞v
106	CH	Methylidyne	⁴Σ^-	C_∞v
107	CH^-	methylidyne anion	³Σ	C_∞v
108	CH⁺	Methylidyne cation	¹Σ	C_∞v
109	SiH	Silylidyne	²Π	C_∞v
110	SiH^-	silicon monohydride anion	³Σ	C_∞v
111	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
112	GeH	germylidene	²Π	C_∞v
113	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
114	CH₂	Methylene	³B₁	C_2v
115	CH₂	Methylene	³Σ_G	D_∞h
116	CH₂	Methylene	¹A₁	C_2v
117	CH₂^-	methylene anion	²B₁	C_2v
118	CH₂⁺	methylene cation	²A₁	C_2v
119	CH₂⁺	methylene cation	²Π	D_∞h
120	SiH₂	silicon dihydride	¹A₁	C_2v
121	SiH₂	silicon dihydride	³B₁	C_2v
122	SiH₂^-	silicon dihydride anion	²B₁	C_2v
123	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
124	GeH₂	germylene	¹A₁	C_2v
125	GeH₂^-	germylene anion	²B₁	C_2v
126	CH₃	Methyl radical	²A₁	D_3h
127	CH₃^-	methyl anion	¹A₁	C_3v
128	CH₃⁺	methyl cation	¹A₁^'	D_3h
129	SiH₃	Silyl radical	²A₁	C_3v
130	SiH₃^-	Silyl anion	¹A₁	C_3v
131	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
132	GeH₃	Germyl radical	²A₁	C_3v
133	GeH₃⁺	germyl cation	¹A₁^'	D_3h
134	CD₄	methane-d4	¹A₁	T_d
135	CH₂D₂	methane-d2	¹A₁	C_2v
136	CH₃D	methane-d	¹A₁	C_3v
137	CH₄	Methane	¹A₁	T_d
138	CH₄^-	Methane anion	²A₁	T_d
139	CH₄^-	Methane anion	²A₁	C_3v
140	CH₄⁺	Methane cation	²B₁	C_2v
141	CH₄⁺	Methane cation	²T₂	T_d
142	CH₄⁺	Methane cation	²B₂	D_2d
143	CHD₃	methane-d3	¹A₁	C_3v
144	SiH₂D₂	silane-d2
145	SiH₄	Silane	¹A₁	T_d
146	GeH₄	Germane	¹A₁	T_d
147	SiH₅⁺	Silane, protonated
148	N	Nitrogen atom	⁴S	K_h
149	N^-	Nitrogen atom anion	³S	K_h
150	N⁺	Nitrogen atom cation	³P	K_h
151	P	Phosphorus atom	⁴S	K_h
152	P^-	Phosphorus atom anion	³P	K_h
153	P⁺	Phosphorus atom cation	³P	K_h
154	V	Vanadium atom	⁴F	K_h
155	V⁺	Vanadium atom cation	⁵D	K_h
156	As	Arsenic atomic	⁴S	K_h
157	As^-	Arsenic anion	³P	K_h
158	As⁺	Arsenic cation	³P	K_h
159	NH	Imidogen	³Σ^-	C_∞v
160	NH	Imidogen	¹Σ⁺	C_∞v
161	NH^-	Imidogen anion	²Π	C_∞v
162	NH⁺	imidogen cation	²Π	C_∞v
163	PH	phosphorus monohydride	³Σ^-	C_∞v
164	PH	phosphorus monohydride	¹Δ	C_∞v
165	PH^-	phosphorus monohydride anion	²Π	C_∞v
166	PH⁺	phosphorus monohydride cation	²Π	C_∞v
167	AsH	Arsenic monohydride	³Σ	C_∞v
168	AsH	Arsenic monohydride	¹Σ	C_∞v
169	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
170	ND₂	Amidogen-d2	²B₁	C_2v
171	NH₂	Amino radical	²B₁	C_2v
172	NH₂^-	amino anion	¹A₁	C_2v
173	NH₂⁺	Amino cation	³B₁	C_2v
174	NH₂⁺	Amino cation	¹A₁	C_2v
175	PH₂	Phosphino radical	²B₁	C_2v
176	PH₂^-	Phosphino anion	¹A₁	C_2v
177	PH₂⁺	Phosphino cation	¹A₁	C_2v
178	AsH₂	Arsenic dihydride	²A₁	C_2v
179	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
180	ND₃	Ammonia-d3	¹A₁	C_3v
181	NH₃	Ammonia	¹A₁	C_3v
182	NH₃^-	Ammonia anion	²A₁	C_3v
183	NH₃⁺	ammonia cation	²A₂^"	D_3h
184	PH₃	Phosphine	¹A₁	C_3v
185	PH₃⁺	Phosphine cation	²A₁	C_3v
186	AsH₃	Arsine	¹A₁	C_3v
187	AsH₃⁺	Arsine cation	²A₁	C_3v
188	AsH₄⁺	Arsonium
189	NH₄	Ammonium radical
190	NH₄⁺	ammonium cation	¹A₁	T_d
191	PH₄	Phosphoranyl radical
192	PH₄⁺	phosphonium cation
193	O	Oxygen atom	³S	K_h
194	O^-	Oxygen atom anion	²P	K_h
195	O⁺	Oxygen atom cation	⁴S	K_h
196	S	Sulfur atom	³P	K_h
197	S	Sulfur atom
198	S^-	Sulfur atom anion	²P	K_h
199	S⁺	Sulfur atom cation	⁴S	K_h
200	Se	Selenium atom	³P	K_h
201	Se^-	Selenium atom anion	²P	K_h
202	Se⁺	Selenium atom cation	⁴S	K_h
203	DO	Hydroxyl-d	²Π	C_∞v
204	OH	Hydroxyl radical	²Π	C_∞v
205	OH^-	hydroxide anion	¹Σ	C_∞v
206	OH⁺	hydoxyl cation	³Σ	C_∞v
207	OH⁺	hydoxyl cation	¹Σ	C_∞v
208	DS	Mercapto-d	²Π	C_∞v
209	HS	Mercapto radical	²Π	C_∞v
210	HS^-	mercapto anion	¹Σ	C_∞v
211	HS⁺	sulfur monohydride cation	³Σ	C_∞v
212	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
213	HSe	Selenium monohydride	²Π	C_∞v
214	HSe^-	selenium monohydride anion	¹Σ	C_∞v
215	HSe⁺	selenium monohydride cation	³Σ	C_∞v
216	HSe⁺	selenium monohydride cation	¹Σ	C_∞v
217	D₂O	Deuterium oxide	¹A₁	C_2v
218	H₂O	Water	¹A₁	C_2v
219	H₂O^-	water anion	²A₁	C_2v
220	H₂O^-	water anion	²A^'	C_s
221	H₂O⁺	water cation	²B₁	C_2v
222	HDO	Water-d1	¹A₁	C_2v
223	D₂S	Hydrogen sulfide-d2	¹A₁	C_2v
224	H₂S	Hydrogen sulfide	¹A₁	C_2v
225	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
226	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
227	H₂Se	Hydrogen selenide	¹A₁	C_2v
228	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
229	H₃O⁺	hydronium cation	¹A₁	C_3v
230	H₃S⁺	Sulfonium cation	¹A₁	C_3v
231	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
232	F	Fluorine atom	²P	K_h
233	F^-	Fluorine atom anion	¹S	K_h
234	F⁺	Fluorine atom cation	³S	K_h
235	F⁺	Fluorine atom cation	¹D	K_h
236	Cl	Chlorine atom	²P	K_h
237	Cl^-	Chlorine atom anion	¹S	K_h
238	Cl⁺	Chlorine atom cation	³P	K_h
239	Cl⁺	Chlorine atom cation	¹D	K_h
240	Br	Bromine atom	²P	K_h
241	Br^-	Bromine atom anion	¹S	K_h
242	Br⁺	Bromine atom cation	³P	K_h
243	DF	Hydrofluoric acid-d	¹Σ	C_∞v
244	HF	Hydrogen fluoride	¹Σ	C_∞v
245	HF^-	hydrogen fluoride anion	²Σ	C_∞v
246	HF⁺	hydrogen fluoride cation	²Π	C_∞v
247	DCl	Hydrochloric acid-d	¹Σ	C_∞v
248	HCl	Hydrogen chloride	¹Σ	C_∞v
249	HCl^-	hydrogen chloride anion	²Σ	C_∞v
250	HCl⁺	hydrogen chloride cation	²Π	C_∞v
251	HBr	hydrogen bromide	¹Σ	C_∞v
252	HBr^-	hydrogen bromide anion	²Σ	C_∞v
253	HBr⁺	hydrogen bromide cation	²Π	C_∞v
254	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
255	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
256	Ne	Neon atom	¹S	K_h
257	Ne	Neon atom
258	Ne^-	Neon atom anion	²S	K_h
259	Ne⁺	Neon atom cation	²P	K_h
260	Ar	Argon atom	¹S	K_h
261	Ar^-	Argon atom anion	²S	K_h
262	Ar⁺	Argon atom cation	²P	K_h
263	Kr	Krypton atom	¹S	K_h
264	Kr⁺	Krypton cation	²P	K_h
265	HeLi⁺	Helium Lithium cation
266	NeH	neon hydrogen	²Σ	C_∞v
267	NeH⁺	neon hydrogen cation	¹Σ	C_∞v
268	ArH⁺	Argon hydride cation	¹Σ	C_∞v
269	KrH⁺	Protonated Krypton	¹Σ	C_∞v
270	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
271	Li₂	Lithium diatomic	¹Σ_g	D_∞v
272	Li₂^-	lithium diatomic anion	²Σ_u	D_∞h
273	NaLi	lithium sodium	¹Σ	C_∞v
274	NaLi^-	lithium sodium anion	²Σ	C_∞v
275	NaLi⁺	lithium sodium cation	²Σ	C_∞v
276	Na₂	Sodium diatomic	¹Σ_g	D_∞h
277	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
278	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
279	LiBe	Lithium Beryllium	²Σ	C_∞v
280	LiMg	Lithium magnesium	²Σ	C_∞v
281	NaBe	Sodium Beryllium	²Σ	C_∞v
282	NaMg	Sodium Magnesium	²Σ	C_∞v
283	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
284	Be₂	Beryllium diatomic	³Π_g	D_∞h
285	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
286	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
287	BeMg	Beryllium Magnesium	¹Σ	C_∞v
288	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
289	Mg₂^-	magnesium diatomic anion	²Π_U	D_∞h
290	Mg₂⁺	magnesium diatomic cation	²Σ_u	D_∞h
291	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
292	LiB	Lithium boride	³Π	C_∞v
293	LiAl	Lithium Aluminum
294	NaAl	Sodium aluminum	¹Σ	C_∞v
295	BeB	Beryllium monoboride	²Π	C_∞v
296	B₂	Boron diatomic	³Σ_g	D_∞h
297	B₂	Boron diatomic	¹Σ_g	D_∞h
298	B₂	Boron diatomic	⁵Σ_u	D_∞h
299	B₂^-	Boron diatomic anion	⁴Σ_g	D_∞h
300	B₂⁺	Boron diatomic cation	²Π	D_∞h
301	BAl	Boron Aluminum	³Σ	C_∞v
302	Al₂	Aluminum diatomic	¹Σ_g	D_∞h
303	Al₂^-	aluminum diatomic anion	⁴Σ_g	D_∞h
304	Al₂⁺	aluminum diatomic cation	²Σ_g	D_∞h
305	BGa	Boron Gallium	³Σ	C_∞v
306	AlGa	Aluminum Gallium	³Σ	C_∞v
307	AlGa	Aluminum Gallium	¹Σ	C_∞v
308	Ga₂	Gallium diatomic	³P_iu
309	HBBH	Diborane(2)	³Σ_G	D_∞h
310	LiBH₄	Lithium borohydride	¹A₁	C_3v
311	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
312	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
313	B₂H₆	Diborane	¹A_g	D_2h
314	B₂H₆⁺	Diborane cation
315	Al₂H₆	dialane	¹A_G	D_2h
316	Ga₂H₆	digallane	¹A_G	D_2h
317	LiC	Lithium Carbide	⁴Σ	C_∞v
318	BeC	Beryllium Carbide	³Σ^-	C_∞v
319	BeC	Beryllium Carbide
320	CaC	Calcium monocarbide
321	BC	boron monocarbide	⁴Σ^-	C_∞v
322	BC	boron monocarbide	²Π	C_∞v
323	BC^-	boron monocarbide anion	³Π_u	C_∞v
324	BC^-	boron monocarbide anion	¹Σ_g⁺	C_∞v
325	BC⁺	boron monocarbide cation	³Σ	C_∞v
326	BC⁺	boron monocarbide cation	¹Σ	C_∞v
327	AlC	Aluminum carbide	⁴Σ	C_∞v
328	BSi	Boron silicide	⁴Σ	C_∞v
329	BSi	Boron silicide	²Σ	C_∞v
330	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
331	C₂	Carbon diatomic	³Π_u	D_∞h
332	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
333	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
334	C₂⁺	carbon diatomic cation	²Π	D_∞h
335	SiC	silicon monocarbide	³Σ	C_∞v
336	SiC	silicon monocarbide	¹Σ	C_∞v
337	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
338	SiC⁺	silicon monocarbide cation	²Π	C_∞v
339	Si₂	Silicon diatomic	³Σ_g	D_∞h
340	Si₂	Silicon diatomic	¹Σ_g	D_∞h
341	Si₂^-	silcon diatomic anion	²Σ_g	D_∞h
342	Si₂⁺	silcon diatomic cation	²Π	D_∞h
343	GeC	Germanium monocarbide	¹Σ	C_∞v
344	GeC	Germanium monocarbide
345	SiGe	Silicon Germanium
346	Ge₂	Germanium diatomic	³Σ_g	D_∞h
347	C₂H	Ethynyl radical	²Σ	C_∞v
348	C₂H^-	Ethynyl anion	¹Σ	C_∞v
349	C₂H⁺	Ethynyl cation	³Π	C_∞v
350	C₂H⁺	Ethynyl cation	¹Σ	C_∞v
351	C₂H₂	Acetylene	¹Σ_g	D_∞h
352	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
353	C₂H₂⁺	acetylene cation
354	CCH₂	vinylidene	³B₂	C_2v
355	H₂CC^-	vinylidene anion
356	HCCH^-	acetylene anion
357	HCCH^-	acetylene anion
358	Si₂H₂	disilyne
359	Si₂H₂	disilyne
360	Si₂H₂	disilyne
361	Si₂H₂	disilyne
362	CH₃Li	methyl lithium	¹A₁	C_3v
363	CH₂BH	methyleneborane	¹A₁	C_2v
364	C₂H₃	vinyl	²A^'	C_s
365	C₂H₃^-	vinyl anion	¹A^'	C_s
366	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
367	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
368	C₂H₄	Ethylene	¹A_g	D_2h
369	C₂H₄^-	Ethylene anion	²A_g	C_2h
370	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
371	C₂H₄⁺	Ethylene cation	²B₃	D₂
372	CH₃CH	methylmethylene	³A^"	C_s
373	Si₂H₄	Disilene
374	Si₂H₄	Disilene
375	Si₂H₄	Disilene
376	CH₃BH₂	methylborane	¹A^'	C_s
377	C₂H₅	Ethyl radical	²A^'	C_s
378	C₂H₅^-	Ethyl anion	¹A^'	C_s
379	C₂H₆	Ethane	¹A_1g	D_3d
380	C₂H₆	Ethane	¹A₁^'	D_3h
381	C₂H₆⁺	ethane cation	²B_g	C_2h
382	Si₂H₆	disilane	¹E_u	D_3d
383	GeH₃CH₃	methyl germane	¹A₁	C_3v
384	C₂H₇⁺	Ethane, protonated	¹A	C₂
385	LiN	Lithium Nitride	³Σ	C_∞v
386	LiN	Lithium Nitride	¹Σ	C_∞v
387	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
388	LiP	Lithium monophosphide
389	LiP	Lithium monophosphide
390	BeN	Beryllium mononitride	⁴Σ	C_∞v
391	BeN	Beryllium mononitride	²Π	C_∞v
392	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
393	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
394	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
395	MgN	Magnesium Nitride
396	MgN	Magnesium Nitride
397	BN^-	boron nitride anion	²Σ	C_∞v
398	AlN^-	aluminum mononitride anion	²Σ	C_∞v
399	AlN⁺	aluminum mononitride cation	²Π	C_∞v
400	BP	Boron monophosphide	³Π	C_∞v
401	BP	Boron monophosphide	¹Σ	C_∞v
402	AlP	Aluminum monophosphide	³Σ	C_∞v
403	AlP	Aluminum monophosphide	³Π	C_∞v
404	AlP	Aluminum monophosphide	¹Σ	C_∞v
405	GaN	Gallium mononitride	³Π	C_∞v
406	GaN	Gallium mononitride	¹Σ	C_∞v
407	GaP	Gallium monophosphide	³Σ	C_∞v
408	GaP	Gallium monophosphide	¹Σ	C_∞v
409	GaAs	Gallium arsenide	³Π
410	GaAs	Gallium arsenide	¹Σ
411	BN	boron nitride	³Π	C_∞v
412	BN	boron nitride	¹Σ	C_∞v
413	BN⁺	boron nitride cation	²Π	C_∞v
414	AlN	Aluminum nitride	³Π_i	C_∞v
415	AlN	Aluminum nitride	¹Σ	C_∞v
416	CN	Cyano radical	²Σ	C_∞v
417	CN^-	cyanide anion	¹Σ	C_∞v
418	CN⁺	Cyano cation	¹Σ	C_∞v
419	CP^-	carbon monophosphide anion	¹Σ	C_∞v
420	CP⁺	carbon monophosphide cation	³Σ	C_∞v
421	CP⁺	carbon monophosphide cation	¹Σ	C_∞v
422	SiN^-	silicon mononitride anion	¹Σ	C_∞v
423	SiN⁺	silicon mononitride cation	³Π	C_∞v
424	SiP	Silicon monophosphide	²Π	C_∞v
425	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
426	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
427	SiP⁺	Silicon monophosphide cation	¹Σ	C_∞v
428	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
429	N₂	Nitrogen diatomic
430	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
431	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
432	PN	Phosphorus mononitride	¹Σ	C_∞v
433	PN^-	phosphorus nitride anion	²Π	C_∞v
434	PN⁺	phosphorus nitride cation	²Π	C_∞v
435	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
436	P₂^-	phosphorus diatomic anion	²Π_g	D_∞h
437	P₂⁺	phosphorus diatomic cation	²Π_U	D_∞h
438	AsN	Arsenic mononitride	¹Σ	C_∞v
439	AsP	Arsenic monophosphide	¹Σ	C_∞v
440	As₂	Arsenic diatomic	¹Σ_g	D_∞h
441	HCN	Hydrogen cyanide	¹Σ	C_∞v
442	HCN^-	Hydrogen cyanide anion	²A^'	C_s
443	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
444	HNC⁺	hydrogen isocyanide cation
445	HCP⁺	Phosphaethyne cation
446	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
447	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
448	LiNH₂	lithium amide
449	HBNH	Boranimine	¹Σ	C_∞v
450	CNH₂	Aminomethylidyne radical	²B₂	C_2v
451	CNH₂⁺	N-protonated hydrogen isocyanide	¹A₁	C_2v
452	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
453	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
454	HCNH	methyleneazane	²A^'	CS cis
455	HCNH	methyleneazane	²A^'	CS trans
456	HCNH⁺	N-protonated HCN	¹Σ	C_∞v
457	H₂NN	Isodiazene
458	N₂H₂	(E)-diazene	¹A_g	C_2h
459	N₂H₂	(Z)-Diazene	¹A₁	C_2v
460	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
461	CH₂NH	Methanimine	¹A^'	C_s
462	CH₂NH⁺	Methanimine cation
463	CHNH₂	aminomethylene
464	CHNH₂⁺	Aminocarbene cation
465	CH₂PH	Phosphaethene	¹A^'	C_s
466	BH₂NH₂	Boranamine
467	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
468	N₂H₄	Hydrazine	¹A	C₂
469	N₂H₄⁺	hydrazine cation	²A_G	C_2h
470	CH₃NH₂	methyl amine	¹A^'	C_s
471	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
472	SiH₃NH₂	Silane, amino
473	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
474	BH₃PH₃	borane phosphine
475	BH₃NH₃	borane ammonia	¹A₁	C_3v
476	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
477	CH₃NH₃⁺	protonated methylamine	¹A₁	C_3v
478	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
479	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
480	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
481	N₂H₇⁺	ammonia ammonium dimer
482	LiO	lithium oxide	²Σ	C_∞v
483	LiO^-	lithium oxide anion	³Σ	C_∞v
484	LiO⁺	lithium oxide cation	³Σ	C_∞v
485	LiO⁺	lithium oxide cation	¹Σ	C_∞v
486	LiS	Lithium monosulfide	²Π	C_∞v
487	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
488	NaO	sodium monoxide	²Σ	C_∞v
489	NaO⁺	sodium oxide cation	³Σ	C_∞v
490	NaS	Sodium sulfide	²Π	C_∞v
491	LiSe	Lithium monoselenide
492	BeO	beryllium oxide	¹Σ	C_∞v
493	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
494	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
495	MgO^-	magnesium oxide anion	²Σ	C_∞v
496	MgO⁺	magnesium oxide cation	²Π	C_∞v
497	CaO	Calcium monoxide	¹Σ	C_∞v
498	MgS^-	magnesium sulfide anion	²Σ	C_∞v
499	MgS⁺	magnesium sulfide cation	²Π	C_∞v
500	CaS	Calcium sulfide	¹Σ	C_∞v
501	ZnS	Zinc sulfide	¹Σ⁺	C_∞v
502	BeS^-	Beryllium monosulfide anion	²Σ	C_∞v
503	BeS⁺	Beryllium monosulfide cation	²Π	C_∞v
504	BO	boron monoxide	²Σ	C_∞v
505	BO^-	boron monoxide anion	¹Σ	C_∞v
506	AlO^-	Aluminum monoxide anion	¹Σ	C_∞v
507	AlO⁺	aluminum monoxide cation	¹Σ	C_∞v
508	BS^-	boron monosulfide anion	¹Σ	C_∞v
509	BS⁺	boron monosulfide cation	¹Σ	C_∞v
510	AlS^-	aluminum monosulfide anion	¹Σ	C_∞v
511	AlS⁺	aluminum monosulfide cation	¹Σ	C_∞v
512	ScO	Scandium monoxide	²Σ	C_∞v
513	GaO	Gallium monoxide	²Σ	C_∞v
514	GaS	Gallium monosulfide
515	BO⁺	boron monoxide cation	¹Σ	C_∞v
516	CO	Carbon monoxide	¹Σ	C_∞v
517	CO	Carbon monoxide	³Π	C_∞v
518	CO^-	carbon monoxide anion	²Π	C_∞v
519	CO⁺	carbon monoxide cation	²Σ	C_∞v
520	CS	carbon monosulfide	¹Σ	C_∞v
521	CS^-	carbon monosulfide anion	²Π	C_∞v
522	CS⁺	carbon monosulfide cation	²Σ	C_∞v
523	SiO	Silicon monoxide	¹Σ	C_∞v
524	SiO^-	silicon monoxide anion	²Π	C_∞v
525	SiO⁺	silicon monoxide cation	²Σ	C_∞v
526	SiS	silicon monosulfide	¹Σ	C_∞v
527	SiS^-	silicon monosulfide anion	²Π	C_∞v
528	SiS⁺	silicon monosulfide cation	²Σ	C_∞v
529	TiO	Titanium monoxide	³Δ	C_∞v
530	CSe	Carbon monoselenide	¹Σ	C_∞v
531	CSe^-	Carbon monoselenide anion	²Π	C_∞v
532	CSe⁺	Carbon monoselenide cation	²Σ	C_∞v
533	GeO	Germanium monoxide	¹Σ	C_∞v
534	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
535	GeS	Germanium monosulfide	¹Σ	C_∞v
536	SiSe	Silicon Monoselenide
537	SiSe⁺	Silicon Monoselenide cation
538	GeSe	Germanium monoselenide
539	NO	Nitric oxide	²Π	C_∞v
540	NO^-	nitric oxide anion	³Σ	C_∞v
541	NO^-	nitric oxide anion	¹Δ	C_∞v
542	NO⁺	nitric oxide cation	¹Σ	C_∞v
543	NS	Mononitrogen monosulfide	²Π	C_∞v
544	NS^-	nitrogen sulfide anion	³Σ	C_∞v
545	NS^-	nitrogen sulfide anion	¹Σ	C_∞v
546	NS⁺	nitrogen sulfide cation	¹Σ	C_∞v
547	PO	Phosphorus monoxide	²Π	C_∞v
548	PO^-	phosphorus monoxide anion	³Σ	C_∞v
549	PO⁺	phosphorus monoxide cation	¹Σ	C_∞v
550	PS	phosphorus sulfide	²Σ	C_∞v
551	PS^-	phosphorus monosulfide anion	³Σ	C_∞v
552	PS^-	phosphorus monosulfide anion	¹Σ	C_∞v
553	PS⁺	phosphorus monosulfide cation	¹Σ	C_∞v
554	VO	Vanadium monoxide	⁴Σ^-
555	AsO	Arsenic monoxide	²Π	C_∞v
556	NSe	Nitrogen monoselenide	²Π	C_∞v
557	AsS	Arsenic monosulfide	²Π	C_∞v
558	PSe	Phosphorus monoselenide	²Π	C_∞v
559	AsSe	Arsenic monoselenide	²Π	C_∞v
560	O₂	Oxygen diatomic	³Σ_g	D_∞h
561	O₂	Oxygen diatomic	¹Δ_g	D_∞h
562	O₂^-	oxygen diatomic anion	²Π	D_∞h
563	O₂^--	dioxygen dianion
564	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
565	SO	Sulfur monoxide	³Σ	C_∞v
566	SO	Sulfur monoxide	¹Σ	C_∞v
567	SO^-	sulfur monoxide anion	²Π	C_∞v
568	SO⁺	sulfur monoxide cation	²Π	C_∞v
569	S₂	Sulfur diatomic	³Σ_g	D_∞h
570	S₂	Sulfur diatomic	¹Σ	D_∞h
571	S₂^-	sulfur diatomic anion	²Π	D_∞h
572	S₂⁺	sulfur diatomic cation	²Π	D_∞h
573	SeO	Selenium monoxide	³Σ	C_∞v
574	SeO	Selenium monoxide	¹?	C_∞v
575	SeO^-	selenium monoxide anion	²Π	C_∞v
576	SeO⁺	selenium monoxide cation	²Π	C_∞v
577	SeS	Selenium monosulfide	³Σ	C_∞v
578	SeS^-	selenium monosulfide anion	²Π	C_∞v
579	SeS⁺	selenium monosulfide cation	²Π	C_∞v
580	Se₂	Selenium diatomic	³Σ_g	D_∞h
581	Se₂	Selenium diatomic	¹Σ_g⁺	D_∞h
582	Se₂^-	selenium diatomic anion	²Π	D_∞h
583	Se₂⁺	selenium diatomic cation	²Π_g	D_∞h
584	LiOH	lithium hydroxide	¹Σ	C_∞v
585	BeOH	beryllium monohydroxide	²A^'	C_s
586	BeOH	beryllium monohydroxide	²Σ	C_∞v
587	HBO	Boron hydride oxide	¹Σ	C_∞v
588	HBS	hydrogen boron sulfide	¹Σ	C_∞v
589	COH	Hydroxymethylidyne
590	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
591	HCO	Formyl radical	²A^'	C_s
592	HCO^-	formyl anion	¹A^'	C_s
593	HCO⁺	Formyl cation	¹Σ	C_∞v
594	HCS	Thioformyl radical	²A^'	C_s
595	HCS^-	Thioformyl anion	¹A^'	C_s
596	HCS⁺	Thioformyl cation	¹Σ	C_∞v
597	HNO	Nitrosyl hydride	¹A^'	C_s
598	HNO^-	Nitrosyl hydride anion	²A^"	C_s
599	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
600	NOH	Hydroxyimidogen	³A^"	C_s
601	NOH⁺	O-protonated nitric oxide	²A^'	C_s
602	HNS	Sulfur imide	¹A^'	C_s
603	HNS^-	Sulfur imide anion	²A	C_s
604	HO₂	Hydroperoxy radical	²A^"	C_s
605	HO₂^-	Hydroperoxy anion	¹A^'	C_s
606	HO₂⁺	Hydroperoxy cation	³A^"	C_s
607	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
608	HSO⁺	Sulfur Monoxide, S-protonated
609	SOH	Sulfur Hydroxide
610	SOH⁺	Sulfur Monoxide, protonated
611	HS₂	Thiosulfeno radical	²A^"	C_s
612	H₂CO	Formaldehyde	¹A₁	C_2v
613	H₂CO^-	formaldehyde anion	²A^'	C_s
614	H₂CO^-	formaldehyde anion
615	H₂CO⁺	formaldehyde cation	²B₂	C_2v
616	HOCH	hydroxycarbene	¹A^'	CS trans
617	HOCH	hydroxycarbene	¹A^'	CS cis
618	H₂CS	Thioformaldehyde	¹A₁	C_2v
619	H₂CS^-	thioformaldehyde anion
620	H₂CS^-	thioformaldehyde anion
621	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
622	H₂CSe	Selenoformaldehyde
623	H₂NO	nitroxide	²B₁	C_2v
624	H₂NO	nitroxide	²A^'	C_s
625	H₂O₂	Hydrogen peroxide	¹A	C₂
626	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
627	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
628	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
629	H₂OO	water oxide
630	HOSH	hydrogen thioperoxide
631	H₂S₂	Disulfane	¹A	C₂
632	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
633	H₂Se₂	hydrogen diselenide
634	CH₂OH	Hydroxymethyl radical	²A	C₁
635	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
636	CH₃O^-	methoxy anion	¹A₁	C_3v
637	CH₃O⁺	Methoxy cation	³A₁	C_3v
638	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
639	NH₂OH	hydroxylamine	¹A^'	C_s
640	NH₂OH⁺	Hydroxylamine cation
641	NH₃O	Ammonia Oxide	¹A₁	C_3v
642	H₂POH	Phosphinous acid	¹A₁^'	CS trans
643	H₂POH	Phosphinous acid	¹A₁^'	CS cis
644	H₃PO	Phosphine oxide	¹A₁	C_3v
645	NH₂SH	Thiohydroxylamine
646	NH₂SH	Thiohydroxylamine
647	NH₃S	sulfidoazane
648	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
649	CH₃OH	Methyl alcohol	¹A^'	C_s
650	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
651	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
652	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
653	CH₃OH⁺	Methyl alcohol cation	²A	C₁
654	CH₃SH	Methanethiol	¹A^'	C_s
655	CH₃SH⁺	Methanethiol cation	²A^"	C_s
656	SiH₃OH	silanol
657	NH₂OH₂⁺	protonated hydroxylamine
658	NH₃OH⁺	N-protonated hydroxylamine
659	H₂OH₂O	water dimer	¹A^'	C_s
660	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
661	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
662	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
663	LiF	lithium fluoride	¹Σ	C_∞v
664	LiCl	lithium chloride	¹Σ	C_∞v
665	LiCl^-	lithium chloride anion	²Σ	C_∞v
666	LiCl⁺	lithium chloride cation	²Π	C_∞v
667	NaF	sodium fluoride	¹Σ	C_∞v
668	NaF^-	sodium fluoride anion	²Σ	C_∞v
669	NaF⁺	sodium fluoride cation	²Σ	C_∞v
670	NaCl	Sodium Chloride	¹Σ	C_∞v
671	NaCl^-	sodium chloride anion	²Σ	C_∞v
672	NaCl⁺	sodium chloride cation	²Π	C_∞v
673	LiBr	Lithium Bromide	¹Σ	C_∞v
674	LiBr^-	lithium bromide anion	²Σ	C_∞v
675	LiBr⁺	lithium bromide cation	²Π	C_∞v
676	NaBr^-	sodium bromide anion	²Σ	C_∞v
677	NaBr⁺	sodium bromide cation	²Π	C_∞v
678	LiF^-	lithium fluoride anion	²Σ	C_∞v
679	LiF⁺	lithium fluoride cation	²Π	C_∞v
680	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
681	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
682	MgF^-	magnesium fluoride anion	¹Σ	C_∞v
683	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
684	MgCl^-	magnesium monochloride anion	¹Σ	C_∞v
685	MgCl⁺	magnesium monochloride cation	¹Σ	C_∞v
686	TiCl	Titanium Monochloride	⁴Σ	C_∞v
687	ZnF	Zinc monofluoride	²Σ	C_∞v
688	CaBr	Calcium monobromide
689	BeCl^-	beryllium monochloride anion	¹Σ	C_∞v
690	BeCl⁺	beryllium monochloride cation	¹Σ	C_∞v
691	BF	Boron monofluoride	¹Σ	C_∞v
692	BF^-	Boron monofluoride anion	²Π	C_∞v
693	BF⁺	Boron monofluoride cation	²Σ	C_∞v
694	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
695	AlF^-	Aluminum monofluoride anion	²Π	C_∞v
696	AlF⁺	Aluminum monofluoride cation	²Σ	C_∞v
697	BCl^-	boron monochloride anion	²Π	C_∞v
698	BCl⁺	boron monochloride cation	²Σ	C_∞v
699	AlCl	Aluminum monochloride	¹Σ	C_∞v
700	AlCl^-	aluminum monochloride anion	²Π	C_∞v
701	AlCl⁺	aluminum monochloride cation	²Σ	C_∞v
702	ScF	Scandium monofluoride	¹Σ	C_∞v
703	BBr	Boron monobromide	¹Σ	C_∞v
704	GaF	Gallium monofluoride	¹Σ	C_∞v
705	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
706	AlBr	Aluminum monobromide
707	GaCl	Gallium monochloride	¹Σ_G	C_∞v
708	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
709	GaBr	Gallium monobromide
710	CF	Fluoromethylidyne	²Π	C_∞v
711	CF^-	carbon monofluoride anion	³Σ	C_∞v
712	CF^-	carbon monofluoride anion	¹Σ	C_∞v
713	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
714	CCl^-	carbon monochloride anion	³Σ	C_∞v
715	CCl⁺	carbon monochloride cation	¹Σ	C_∞v
716	SiF	silicon monofluoride	²Π	C_∞v
717	SiF^-	silicon monofluoride anion	³Σ	C_∞v
718	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
719	SiCl	Clorosilylidyne	²Π	C_∞v
720	SiCl^-	silicon monochloride anion	³Σ	C_∞v
721	SiCl⁺	silicon monochloride cation	¹Σ	C_∞v
722	CBr	Carbon monobromide	²Π	C_∞v
723	GeF	Germanium monofluoride	²Π	C_∞v
724	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
725	GeCl	Germanium monochloride	²Π	C_∞v
726	GeCl⁺	Germanium monochloride cation
727	SiBr	Silicon monobromide	²Π	C_∞v
728	SiBr⁺	Silicon monobromide cation
729	NF	nitrogen fluoride	¹Σ	C_∞v
730	NF^-	nitrogen monofluorine anion	²Π	C_∞v
731	NF⁺	nitrogen monofluoirde cation	²Π	C_∞v
732	NCl	nitrogen monochloride	³Σ	C_∞v
733	NCl	nitrogen monochloride	¹Σ	C_∞v
734	NCl^-	nitrogen monochloride anion	²Π	C_∞v
735	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
736	PF	phosphorus monofluoride	¹Δ	C_∞v
737	PF^-	phosphorus monofluoride anion	²Π	C_∞v
738	PF⁺	phosphorus monofluoride cation	²Π	C_∞v
739	PCl	phosphorus chloride	¹Σ	C_∞v
740	PCl^-	phosphorus monochloride anion	²Π	C_∞v
741	PCl⁺	phosphorus monochloride cation	²Π	C_∞v
742	AsF	Arsenic monofluoride	³Σ	C_∞v
743	AsF	Arsenic monofluoride	¹Δ	C_∞v
744	NBr	nitrogen monobromide	³Σ^-	C_∞v
745	AsCl	Arsenic monochloride	³Σ	C_∞v
746	PBr	Phosphorus monobromide
747	FO	Oxygen monofluoride	²Π	C_∞v
748	FO^-	flourine oxide anion	¹Σ	C_∞v
749	FO⁺	fluorine monoxide cation	³Σ	C_∞v
750	ClO	Monochlorine monoxide	²Π	C_∞v
751	ClO^-	chlorine monoxide anion	¹Σ	C_∞v
752	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
753	ClO⁺	chlorine monoxide cation	¹Σ	C_∞v
754	SF	Monosulfur monofluoride	²Π	C_∞v
755	SF^-	sulfur monofluoride anion	¹Σ	C_∞v
756	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
757	SF⁺	sulfur monofluoride cation	¹Σ	C_∞v
758	SCl	sulfur monochloride	²Π	C_∞v
759	SCl^-	sulfur monochloride anion	¹Σ	C_∞v
760	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
761	SCl⁺	sulfur monochloride cation	¹Σ	C_∞v
762	BrO	Bromine monoxide	²Π	C_∞v
763	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
764	BrO⁺	Bromine monoxide cation
765	SeF	Selenium monofluoride	²Π	C_∞v
766	SBr	Sulfur monobromide radical
767	SBr⁺	Sulfur monobromide cation
768	SeCl	Selenium monochloride	²Π	C_∞v
769	SeBr	Selenium monobromide
770	BrCl	Bromine monochloride	¹Σ	C_∞v
771	F₂	Fluorine diatomic	¹Σ_g	D_∞h
772	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
773	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
774	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
775	ClF^-	clorine monofluoride anion	²Σ	C_∞v
776	ClF⁺	clorine monofluoride cation	²Π	C_∞v
777	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
778	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
779	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
780	BrF	Bromine monofluoride	¹Σ	C_∞v
781	BrF^-	bromine fluoride anion	²Σ	C_∞v
782	BrF⁺	bromine fluoride cation	²Π	C_∞v
783	BrCl^-	bromine chloride anion	²Σ	C_∞v
784	BrCl⁺	bromine chloride cation	²Π	C_∞v
785	Br₂	Bromine diatomic	¹Σ_g	D_∞h
786	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
787	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
788	HCF	Fluoromethylene	¹A^'	C_s
789	HCF	Fluoromethylene	³A^"	C_s
790	HCCl	Chloromethylene	¹A^'	C_s
791	HCCl	Chloromethylene	³A^"	C_s
792	HSiF	fluorosilylene
793	HSiCl	Chlorosilylene
794	HSiBr	monobromosilylene
795	CHBr	bromomethylene	¹A^'	C_s
796	CHBr	bromomethylene	³A^"	C_s
797	HOF	Hypofluorous acid	¹A^'	C_s
798	HOCl	hypochlorous acid	¹A^'	C_s
799	HOCl⁺	hypochlorous acid cation
800	HOBr	Hypobromous acid	¹A^'	C_s
801	HOBr⁺	Hypobromous acid cation	²A^"	C_s
802	F₂H⁺	Fluorine, protonated	¹A^'	C_s
803	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
804	ClFH⁺	Chlorine fluoride, F-protonated
805	FClH⁺	Chlorine fluoride, Cl-protonated
806	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
807	CH₂Br	bromomethyl radical	²A^'	C_s
808	CH₂Br	bromomethyl radical
809	CH₂F	fluoromethyl radical	²A	C_s
810	CH₂F⁺	fluoromethyl cation
811	CH₂Cl⁺	chloromethyl cation
812	CH₂Cl	chloromethyl radical	²A^'	C_s
813	CH₂Cl	chloromethyl radical	²B₁	C_2v
814	NH₂F	monofluoroamine	¹A^'	C_s
815	NH₂Cl	chloramine	¹A^'	C_s
816	CH₃F⁺	methyl fluoride cation
817	CD₃F	methylfluoride-d3	¹A₁	C_3v
818	CH₃F	Methyl fluoride	¹A₁	C_3v
819	CD₃Cl	methyl chloride d3	¹A₁	C_3v
820	CH₃Cl	Methyl chloride	¹A₁	C_3v
821	CH₃Cl⁺	Methyl chloride cation
822	SiH₃F	monofluorosilane	¹A₁	C_3v
823	SiH₃Cl	chlorosilane	¹A₁	C₁
824	CH₃Br	methyl bromide	¹A₁	C_3v
825	GeH₃F	monofluorogermane
826	GeH₃Cl	monochlorogermane
827	SiH₃Br	bromosilane	¹A₁	C_3v
828	NH₃Cl⁺	protonated monochloroammonia
829	CH₃ClH⁺	methyl chloride, protonated
830	NH₄Cl	Ammonium chloride
831	LiNe⁺	Lithium Neon cation
832	Ne₂	Neon diatomic	¹Σ_g	D_∞h
833	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
834	Ar₂	Argon diatomic	¹S_g	D_∞h
835	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
836	Li₃	Lithium trimer	²B₂	C_2v
837	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
838	C₃	carbon trimer	¹Σ_g	D_∞h
839	C₃	carbon trimer	¹A₁	C_2v
840	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
841	SiC₂	Silicon dicarbide
842	C₃H₃	cyclopropenyl radical	²A^'	C_s
843	C₃H₃^-	Propargyl anion	¹A^'	C_s
844	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
845	C₃H₄	cyclopropene	¹A₁	C_2v
846	CH₂CCH₂	allene	¹A₁	D_2d
847	CH₃CCH	propyne	¹A^'	C_3v
848	C₃H₅	Allyl radical	²A₂	C_2v
849	C₃H₅	Allyl radical	²A^"	C_s
850	C₃H₅⁺	Allyl cation	¹A₁	C_2v
851	CH₃CHCH	1-propenyl radical	²A^'	C_s
852	C₃H₆	Cyclopropane	¹A₁^'	D_3h
853	CH₂CHCH₃	Propene	¹A^'	C_s
854	C₃H₇	n-Propyl radical	²A^"	C₁
855	C₃H₇⁺	cyclopropane, protonated
856	CH₃CHCH₃	Isopropyl radical	²A	C₂
857	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
858	C₃H₈	Propane	¹A₁	C_2v
859	Si₃H₈	trisilane
860	LiCN	lithium cyanide	¹Σ	C*V LiCN
861	LiCN	lithium cyanide	¹A^'	C_s
862	LiCN	lithium cyanide	¹Σ	C*V LiNC
863	NaCN	Sodium Cyanide	¹Σ	C_∞v
864	NaCN	Sodium Cyanide	¹A	C_s
865	NaCN	Sodium Cyanide	¹Σ	C_∞v
866	ZnCN	Zinc monocyanide	²Σ	C_∞v
867	ZnNC	Zinc isocyanide	²Σ	C_∞v
868	AlCN	Aluminum monocyanide
869	AlNC	Aluminum isocyanide
870	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
871	CNN	Diazocarbene
872	NCN	Cyanoimidogen	³Σ_g	D_∞h
873	NCN	Cyanoimidogen	¹Σ_g	D_∞h
874	N₃	azide radical	²Π_g	D_∞h
875	N₃⁺	azide cation	³Σ_g	D_∞h
876	N₃⁺	azide cation	³Σ	C_∞v
877	HCCN	cyanomethylene	³A^"	C_s
878	HCCN	cyanomethylene	³Σ	C_∞v
879	HCCN	cyanomethylene
880	HN₃	hydrogen azide	¹A^'	C_s
881	HN₃⁺	Hydrazoic acid cation
882	HNCNH	diiminomethane	¹A	C₂
883	NH₂CN	cyanamide	¹A₁	C_2v
884	HNNNH⁺	1,2-Triazadienium
885	NH₂NN⁺	hydrazoic acid, protonated
886	CH₃CN	Acetonitrile	¹A₁	C_3v
887	CH₃CN^-	acetonitrile anion	²E	C_3v
888	CH₃CN^-	acetonitrile anion	²A^'	C_s
889	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
890	CHNCH₂	2H-Azirine
891	CHNHCH	1H-Azirine
892	H₂CCNH	Ethenimine
893	H₂CNCH	methyleneaminomethylene
894	HCCNH₂	Ethynamine
895	HCNCH₂⁺	2H-Azirine cation
896	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
897	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
898	NH₂CNH⁺	cyanamide, cn protonated
899	NH₃CN⁺	cyanamide, amine protonated
900	CH₂CHNH	vinylazine	²A^"	CS cis
901	CH₂CHNH	vinylazine	²A^"	CS trans
902	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
903	CH₃CHNH	ethanimine	¹A^'	CS NH down
904	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
905	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
906	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
907	CH₃CH₂NH₂	Ethylamine
908	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
909	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
910	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
911	Li₂O	dilithium oxide	¹Σ_g	D_∞h
912	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
913	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
914	Li₂S	dilithium sulfide	¹A₁	C_2v
915	Na₂O	disodium monoxide	¹Σ_g	Linear
916	Na₂O	disodium monoxide	¹A₁	C_2v
917	Na₂S	Sodium sulfide
918	Na₂S	Sodium sulfide
919	LiO₂	Lithium dioxide
920	NaO₂	Sodium superoxide
921	CCO	Dicarbon monoxide	³Σ	C_∞v
922	CCO	Dicarbon monoxide	¹Π	C_∞v
923	NCO	isocyanato radical	²Π	C_∞v
924	BO₂^-	Boron dioxide anion	¹Σ_g	D_∞h
925	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
926	N₂O	Nitrous oxide	¹Σ	C_∞v
927	N₂O^-	Nitrous oxide anion	²A^'	C_s
928	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
929	NNS	Nitrogen sulfide	¹Σ	C_∞v
930	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
931	CO₂	Carbon dioxide	¹Σ_g	D_∞h
932	CO₂^-	Carbon dioxide anion	²A₁	C_2v
933	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
934	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
935	OCS	Carbonyl sulfide	¹Σ	C_∞v
936	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
937	CS₂	Carbon disulfide	¹Σ_g	D_∞h
938	CS₂^-	Carbon disulfide anion	²A₁	C_2v
939	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
940	TiO₂	Titanium dioxide	¹A₁	C_2v
941	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
942	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
943	OCSe	Carbonyl selenide	¹Σ	C_∞v
944	SCSe	Carbon sulfide selenide
945	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
946	CSe₂	Carbon diselenide	¹A₁	D_∞h
947	NO₂	Nitrogen dioxide	²A₁	C_2v
948	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
949	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
950	NSO	sulfinyl amidogen
951	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
952	SNO	Nitrogen oxide sulfide
953	AsO₂	Aresenic dioxide	²A₁	C_2v
954	O₃	Ozone	¹A₁	C_s
955	O₃^-	Ozone anion	²B₁	C_2v
956	O₃⁺	Ozone cation	²A₁	C_2v
957	SO₂	Sulfur dioxide	¹A₁	C_2v
958	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
959	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
960	SSO	Disulfur monoxide	¹A^'	C_s
961	S₃	Sulfur trimer	¹A₁	C_2v
962	S₃	Sulfur trimer
963	S₃^-	Sulfur trimer anion	²B₁	C_2v
964	S₃⁺	Sulfur trimer cation	²B₂	C_2v
965	SeO₂	Selenium dioxide	¹A₁	C_2v
966	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
967	HCCO	ketenyl radical	²Π	C_∞v
968	HCCO	ketenyl radical	²A^"	C_s
969	HCNO	fulminic acid	¹Σ	C_∞v
970	HCNO	fulminic acid	¹A^'	C_s
971	HNCS	Isothiocyanic acid
972	HSCN	thiocyanic acid	¹A^'	C_s
973	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
974	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
975	HCOO	formate neutral radical	²A^'	C_s
976	HOCO	Hydrocarboxyl radical	¹A^'	cis
977	HOCO	Hydrocarboxyl radical	¹A^'	trans
978	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
979	HNO₂⁺	nitrous acid cation	²A^'	C_s
980	O₃H⁺	protonated ozone	¹A^'	C_s
981	O₃H⁺	protonated ozone
982	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
983	C₂H₂O	Oxirene	¹A₁	C_2v
984	CH₂CO	Ketene	¹A₁	C_2v
985	CH₂CO⁺	Ketene cation	²B₁	C_2v
986	CH₂CS	Thioketene
987	Be(OH)₂	Beryllium hydroxide
988	Be(OH)₂	Beryllium hydroxide
989	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
990	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
991	NH₂NO	Nitrosamide	¹A	C₁
992	H₂COO	Dioxymethyl radical	²A^'	C_s
993	H₂COO⁺	dioxymethyl cation	²A^'	C_s
994	HCOOH	Formic acid	¹A^'	C_s
995	HCOOH	Formic acid
996	H₂O₃	Hydrogen trioxide	¹A	C₂
997	HSSSH	trisulfane	¹A	C₂
998	HSSSH	trisulfane	¹A^'	C_s
999	NaOCH₃	Sodium methoxide	¹A₁	C_3v
1000	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
1001	BH₃CO	Borane carbonyl	¹A₁	C_3v
1002	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
1003	CH₂CHO	Vinyloxy radical	²A^"	C_s
1004	CH₂COH⁺	ketene, protonated
1005	CH₃CO	Acetyl radical	²A^'	C_s
1006	CH₃CO⁺	acetyl cation	¹A₁	C_3v
1007	CH₂NOH	formaldoxime	¹A^'	C_s
1008	CH₃NO	nitrosomethane	¹A^'	C_s
1009	CHONH₂	formamide	¹A^'	Planar
1010	CHONH₂	formamide	¹A	Non-Planar
1011	CNOH₃	1,2-oxaziridine	¹A	C₁
1012	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
1013	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
1014	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
1015	CHSNH₂	thioformamide
1016	NHCHSH	Methanimidothioic acid
1017	CH₂OOH	CH2OOH radical	²A	C₁
1018	CH₃OO^-	methylperoxy anion	¹A^'	C_s
1019	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
1020	C₂H₄O	Ethylene oxide	¹A₁	C_2v
1021	C₂H₄O⁺	ethylene oxide cation
1022	CH₃CHO	Acetaldehyde	¹A^'	C_s
1023	CH₃CHO⁺	acetaldehyde cation
1024	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
1025	C₂H₄S	Thiirane	¹A₁	C_2v
1026	CH₂CHSH	Ethenethiol
1027	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
1028	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
1029	NH₂CHOH⁺	Formamide, O-protonated
1030	CH₂(OH)₂	methanediol	¹A	C₂
1031	CH₃SSH	Hydrogen methyl disulfide
1032	HSCH₂SH	Methanedithiol
1033	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
1034	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
1035	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
1036	CH₃CH₂O	Ethoxy radical	²A^'	C_s
1037	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
1038	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
1039	CH₃OCH₂	methoxymethyl radical	²A	C₁
1040	NH₂CH₂OH	aminomethanol
1041	CH₃CH₂SH	ethanethiol	¹A^'	C_s
1042	CH₃CH₂SH	ethanethiol	¹A	C₁
1043	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
1044	CH₃SCH₃⁺	dimethyl sulfide cation
1045	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
1046	CuF₂	Copper difluoride	²Π_g	D_∞h
1047	CNF	iso cyanogen fluoride	¹Σ	C_∞v
1048	BrCN	Cyanogen bromide	¹Σ	C_∞v
1049	FBO	Boron monofluoride monoxide
1050	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
1051	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
1052	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
1053	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
1054	BeBr₂	Beryllium bromide
1055	CaBr₂	Calcium dibromide
1056	FCO	Carbonyl fluoride	²A^'	C_s
1057	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
1058	ClCO	carbonyl monochloride	²A^'	C_s
1059	BF₂	Boron difluoride radical	²A₁	C_2v
1060	FNO	Nitrosyl fluoride	¹A^'	C_s
1061	ClNO	Nitrosyl chloride	¹A^'	C_s
1062	FNS	Thionitrosyl fluoride	¹A^'	C_s
1063	FSN	Thiazyl fluoride	¹A^'	C_s
1064	OPCl	Phosphorus oxychloride
1065	BrNO	Nitrosyl bromide	¹A^'	C_s
1066	CF₂	Difluoromethylene	¹A₁	D_∞h
1067	CF₂	Difluoromethylene	³B₁	C_2v
1068	CF₂^-	Difluoromethylene anion	²B₁	C_2v
1069	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
1070	CFCl	chlorofluoromethylene	¹A^'	C_s
1071	SiF₂	Silicon difluoride	¹A₁	C_2v
1072	SiF₂	Silicon difluoride	³B₁	C_2v
1073	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
1074	CCl₂^-	dichloromethylene anion	²B₁	C_2v
1075	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
1076	GeF₂	Germanium difluoride	¹A₁	C_2v
1077	GeCl₂	Germanium dichloride	¹A₁	C_2v
1078	CBr₂	dibromomethylene	¹A₁	C_2v
1079	CBr₂	dibromomethylene	³B₁	C_2v
1080	FOO⁺	Fluorine dioxide cation
1081	ClOO⁺	chloroperoxy cation	¹A^'	C_s
1082	OClO	Chlorine dioxide	²B₁	D_∞h
1083	OClO^-	Chlorine dioxide anion	¹A^'	C_s
1084	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
1085	ClSO	Sulfur chloride oxide	²A^"	C_s
1086	BrOO	Bromine dioxide
1087	OBrO	Bromine dioxide radical	²B₁	C_2v
1088	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
1089	PF₂	Phosphorus difluoride
1090	PF₂⁺	Phosphorus difluoride cation
1091	FClO	chlorosyl fluoride	¹A^'	C_s
1092	ClOF	Chlorine hypofluorite	¹A^'	C_s
1093	SF₂	sulfur difluoride	¹A₁	C_2v
1094	SF₂^-	sulfur difluoride anion	²A^'	C_s
1095	SF₂^-	sulfur difluoride anion	²Π	D_∞h
1096	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
1097	SCl₂	Sulfur dichloride	¹A₁	C_2v
1098	SeF₂	Selenium difluoride
1099	BrOCl	Bromine hypochlorite	¹A^'	C_s
1100	SeCl₂	Selenium Dichloride
1101	SBr₂	Sulfur dibromide
1102	SeBr₂	Selenium dibromide
1103	BrOBr	Bromine oxide	¹A₁	C_2v
1104	F₃^-	trifluoride anion	¹Σ_g	D_∞h
1105	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
1106	Br₃^-	tribromide anion
1107	SFCl	Sulfur chloride fluoride
1108	HCCF	Fluoroacetylene	¹Σ	C_∞v
1109	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
1110	HCCCl	Chloroacetylene	¹Σ	C_∞v
1111	HCCBr	bromoacetylene	¹Σ	C_∞v
1112	HFCO⁺	formyl fluoride cation	²A^'	C_s
1113	COHCl	Formyl chloride	¹A^'	C_s
1114	COHBr	Formyl bromide	¹A^'	C_s
1115	CHCl₂	dichloromethyl radical	²B₁	C_2v
1116	CHCl₂	dichloromethyl radical	²A^'	C_s
1117	CHF₂	difluoromethyl radical	²A	C_s
1118	CHF₂⁺	difluoromethyl cation
1119	CHFCl	Chlorofluoromethyl radical
1120	CHFCl⁺	Chlorofluoromethyl cation
1121	CHCl₂⁺	dichloromethyl cation
1122	CHBr₂	dibromomethyl radical
1123	HOClO	Chlorous acid	¹A	C₁
1124	NHF₂	difluoramine
1125	NHCl₂	dichloroamine
1126	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
1127	SiH₂F₂	difluorosilane
1128	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
1129	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
1130	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
1131	CH₂Br₂	dibromomethane	¹A₁	C_2v
1132	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
1133	CH₃MgBr	Methyl Magnesium Bromide
1134	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
1135	CH₂FOH	fluoromethanol
1136	CH₃OCl	methyl hypochlorite	¹A^'	C_s
1137	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
1138	CHClCH₃	1-chloroethyl radical	²A	C₁
1139	C₂H₅Br	Ethyl bromide	¹A^'	C_s
1140	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
1141	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
1142	C₄	Carbon tetramer	³Σ_g	D_∞h
1143	C₄	Carbon tetramer
1144	C₄H₂	Diacetylene	¹Σ_g	D_∞h
1145	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
1146	C₄H₄	cyclobutadiene	¹A_g	D_2h
1147	C₄H₄	Tetrahedrane
1148	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
1149	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
1150	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
1151	C₄H₈	methylcyclopropane	¹A^'	C_s
1152	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
1153	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
1154	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
1155	Li₃N	trilithium nitride	¹A^'	D_3h
1156	C₂N₂	Cyanogen	¹Σ_g	D_∞h
1157	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
1158	As₄	Arsenic tetramer	¹A₁	T_d
1159	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
1160	H₂CNCN	cyanamide, methylene
1161	HNCCNH	Ethenediimine
1162	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
1163	CH₃N₃	methyl azide	¹A^'	C_s
1164	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
1165	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
1166	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
1167	C₂H₅CN	ethyl cyanide	¹A^'	C_s
1168	CH₅N₃	Guanidine	¹A	C₁
1169	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
1170	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
1171	H₂NCHCHNH₂	diaminoethylene
1172	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
1173	CH₆N₃⁺	guanidinium	¹A₁	D₃
1174	CH₇N₃	triaminomethane
1175	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
1176	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
1177	N(SiH₃)₃	trisilylamine
1178	As(CH₃)₃	trimethyl arsine	¹A₁	C_3v
1179	(CH₃)₃NH⁺	protonated trimethyl amine
1180	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
1181	Na₂O₂	disodium dioxide
1182	C₃O	Tricarbon monoxide	¹Σ	C_∞v
1183	ONNO	NO dimer	¹A_g	trans C2H
1184	ONNO	NO dimer	¹A₁	cis C2V
1185	S₂N₂	Disulfur dinitride	¹A_G	D_2h
1186	CS₃^--	Carbonotrithioate
1187	NO₃^-	nitrate anion	¹A₁^'	D_3h
1188	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
1189	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
1190	SO₃	Sulfur trioxide	¹A₁^'	D_3h
1191	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
1192	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
1193	SO₃^--	Sulfate dianion
1194	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
1195	SeO₃	selenium trioxide	¹A₁^'	D_3h
1196	S₄	Sulfur tetramer
1197	S₄	Sulfur tetramer
1198	S₄	Sulfur tetramer
1199	HCO₃^-	bicarbonate anion
1200	HNO₃	Nitric acid	¹A^'	C_s
1201	NH₂NO₂	nitramide	¹A^'	C_s
1202	C₃H₂O	Propadienal
1203	C₃H₂O	Propadienal
1204	C₂H₂O₂	Ethanedial	¹A_g	C_2h
1205	H₂CO₃	Carbonic acid	¹A₁	C_2v
1206	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
1207	H₂SO₃	Sulfurous acid	¹A^'	C_s
1208	C₂H₃NO	Nitrosoethylene
1209	CH₃NCO	methylisocyante
1210	HOCH₂CN	cyanomethanol
1211	CH₃NO₂	Methane, nitro-	¹A^'	C_s
1212	NH₂COOH	Carbamic acid	¹A^'	C_s
1213	NH₂COOH	Carbamic acid	¹A	C₁
1214	H₃AlO₃	Aluminum hydroxide
1215	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
1216	CH₂CHCHO	Acrolein	¹A^'	C_s
1217	CH₂CHCHO	Acrolein
1218	NH₂CONH₂	Urea	¹A	C₂
1219	NH₂CONH₂	Urea	¹A^'	C_s
1220	NH₂CONH₂	Urea	¹A₁	C_2v
1221	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
1222	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
1223	CH₃COCH₂	Acetonyl radical	²A^"	C_s
1224	CH₂C(OH)NH₂	1-amino vinyl alchohol
1225	CH₃C(OH)=NH	Ethaninidic acid
1226	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
1227	HCONHCH₃	N-methylformamide	¹A^'	CS cis
1228	HCONHCH₃	N-methylformamide	¹A^'	CS trans
1229	CH₃CSNH₂	Ethanethioamide
1230	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
1231	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
1232	C₂H₅OO	ethylperoxy radical	²A^'	C_s
1233	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
1234	C₃H₅OH	Cyclopropanol	¹A	C₁
1235	C₃H₆O	2-Propen-1-ol	¹A	C₁
1236	C₃H₆O	Acetone enol	¹A^'	C_s
1237	C₃H₆O	Oxetane	¹A₁	C_2v
1238	C₃H₆O	Oxetane	¹A^'	C_s
1239	CH₃CH₂CHO	Propanal	¹A^'	C_s
1240	CH₃COCH₃^-	acetone anion	²A^'	C_s
1241	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
1242	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
1243	C₃H₇OH	1-Propanol
1244	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
1245	Li₂F₂	Lithium fluoride dimer
1246	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
1247	FNO₂	Nitryl fluoride	¹A₁	C_2v
1248	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
1249	ClONO	chlorine nitrite	¹A^'	CS cis
1250	BrONO	Bromine nitrite	¹A^'	CS trans
1251	CF₂O	Carbonic difluoride	¹A₁	C_2v
1252	CF₂O⁺	Carbonic difluoride cation
1253	COFCl	Carbonic chloride fluoride	¹A^'	C_s
1254	Cl₂CS	Thiophosgene	¹A₁	C_2v
1255	COBr₂	Carbonic dibromide	¹A₁	C_2v
1256	BF₃	Borane, trifluoro-	¹A^'	D_3h
1257	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
1258	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
1259	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
1260	BF₃⁺	boron trifluoride cation	²B₂	C_2v
1261	BF₃⁺	boron trifluoride cation
1262	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1263	BClF₂	Chlorodifluoroborane
1264	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
1265	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1266	BCl₃⁺	Boron Trichloride cation
1267	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1268	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1269	BBr₃	Boron tribromide	¹A₁^'	D_3h
1270	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1271	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1272	CF₂Cl	difluorochloromethyl radical
1273	SiF₃	Silicon trifluoride radical	²A₁	C_3v
1274	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
1275	CFCl₂	dichlorofluoromethyl radical
1276	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
1277	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
1278	CBr₃	tribromomethyl radical
1279	FOOF	Perfluoroperoxide	¹A	C₂
1280	ClO₂F	Chloryl fluoride	¹A^'	C_s
1281	F₂SO	Thionyl Fluoride	¹A^'	C_s
1282	ClOOCl	Dichlorine dioxide	¹A	C₂
1283	SOCl₂	thionyl chloride	¹A^'	C_s
1284	SSCl₂	Thiothionyl chloride
1285	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1286	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
1287	NF₃^-	Nitrogen trifluoride anion	²A	C_s
1288	NCl₃	nitrogen trichloride	¹A₁	C_3v
1289	AsF₃	Arsenic trifluoride	¹A₁	C_3v
1290	AsCl₃	Arsenous trichloride	¹A₁	C_3v
1291	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1292	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1293	SF₃	Sulfur trifluoride	²A^'	C_s
1294	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1295	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1296	HClO₃	Chloric Acid	¹A^'	C_s
1297	HClO₃	Chloric Acid	¹A	C₁
1298	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1299	SiHF₃	trifluorosilane
1300	CDCl₃	trichloromethane-d	¹A₁	C_3v
1301	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1302	CHFClBr	fluorochlorobromomethane	¹A	C₁
1303	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1304	CHBr₂F	dibromofluoromethane
1305	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
1306	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1307	AsF₃H⁺	Arsenic trifluoride, protonated
1308	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1309	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1310	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1311	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1312	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1313	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
1314	CH₂ClCHO	chloroacetaldehyde	¹A^'	CS eclipsed, cis
1315	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1316	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1317	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1318	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
1319	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
1320	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1321	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1322	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1323	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1324	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1325	CH₂CHCH₂F	Allyl Fluoride
1326	CH₂CHCH₂F	Allyl Fluoride
1327	CH₃CHCHF	trans-1-Fluoro-1-propene
1328	CH₂FCH₂OH	2-fluoroethanol
1329	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
1330	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
1331	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1332	CH₂FCH₂CH₃	1-Fluoropropane
1333	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1334	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1335	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
1336	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
1337	B₅H₉	pentaborane9
1338	C₅H₄	pentatetraene
1339	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1340	C₅H₅^-	cylopentadienyl anion	¹A₁^'	D_5h
1341	C₅H₆	Propellane	¹A₁	D_3h
1342	C₅H₇	cyclopentenyl radical	²A₂	C_2v
1343	C₅H₈	1,3-Pentadiene, (Z)-	¹A^'	C_s
1344	C₅H₈	Bicyclo[1.1.1]pentane
1345	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1346	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1347	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1348	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1349	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1350	C₄H₄N	pyrrolide radical	²A₂	C_2v
1351	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1352	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1353	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1354	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1355	C₄H₅N	Pyrrole	¹A₁	C_2v
1356	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1357	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1358	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1359	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1360	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1361	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1362	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1363	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1364	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
1365	B₂O₃	diboron trioxide
1366	B₂O₃	diboron trioxide
1367	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1368	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1369	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1370	HOONO₂	peroxy nitric acid	¹A	C₁
1371	HSO₄^-	bisulfate anion	¹A^'	C_s
1372	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1373	CHOOCHO	diformyl ether
1374	H₂SO₄	Sulfuric acid	¹A	C₁
1375	H₂SeO₄	Selenic acid	¹A	C₂
1376	C₃H₃NO	Isoxazole	¹A^'	C_s
1377	C₃H₃NO	Oxazole	¹A^'	C_s
1378	C₃H₃NS	Thiazole
1379	H₃PO₄	Phosphoric Acid	¹A	C₃
1380	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1381	C₄H₄Se	selenophene
1382	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1383	HOCHCCHOH	allenediol	¹A	C₂
1384	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1385	HOCH₂COOH	Hydroxyacetic acid	¹A	C_s
1386	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1387	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1388	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1389	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1390	CH₂CHSCHCH₂	Divinyl sulfide
1391	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1392	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1393	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1394	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1395	C₄H₁₀O	1-Butanol	¹A^'	C_s
1396	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1397	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1398	C₄H₉SH	1-Butanethiol
1399	ClONO₂	Chlorine nitrate	¹A^'	C_s
1400	BrONO₂	Bromine nitrate	¹A^'	C_s
1401	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1402	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1403	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1404	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1405	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1406	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1407	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
1408	CBrCl₂F	bromodichlorofluoromethane
1409	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1410	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1411	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1412	CBr₂ClF	dibromochlorofluoromethane
1413	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1414	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1415	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1416	CBr₄	Carbon tetrabromide	¹A₁	T_d
1417	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1418	GeBr₄	Germanium tetrabromide
1419	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1420	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1421	SeF₄	Selenium tetrafluoride
1422	SCl₄	Sulfur tetrachloride
1423	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
1424	HClO₄	perchloric acid	¹A	C_s
1425	CF₃OH	trifluoromethanol	¹A^'	C_s
1426	CH₂ClCCCl	1,3-dichloropropyne
1427	CHCl₂CCH	3,3-dichloropropyne
1428	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
1429	CHCl₂CHO	dichloroacetaldehyde
1430	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1431	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1432	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1433	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
1434	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1435	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1436	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1437	CH₂FCH₂CH₂F	1,3-difluoropropane
1438	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1439	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1440	C₂H₂N₂O	Furazan
1441	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1442	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1443	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1444	C₆H₅^-	phenyl anion	¹A₁	C_2v
1445	C₆H₆	Prismane
1446	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1447	C₆H₆	Benzvalene	¹A₁	C_2v
1448	C₆H₆	Dewar Benzene
1449	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1450	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1451	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1452	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1453	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1454	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1455	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1456	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1457	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1458	C₆H₁₂	hex-1-ene	¹A^'	C_s
1459	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1460	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1461	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1462	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1463	C₂O₄^--	oxalate anion	¹A₁	D_2d
1464	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1465	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1466	C₃H₂O₃	vinylene carbonate
1467	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1468	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1469	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1470	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1471	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1472	C₅H₆O	2H-Pyran
1473	C₅H₆O	3-Methylfuran	¹A^'	C_s
1474	C₅H₆O	Pentadienal
1475	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1476	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1477	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1478	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1479	C₃H₇ONO	Propyl nitrite	¹A^'	C_s
1480	C₅H₈O	Cyclopentanone	¹A	C₂
1481	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1482	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1483	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1484	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1485	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1486	C₄F₂	difluorobutadiyne
1487	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1488	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1489	C₂ClF₃	Ethene, chlorotrifluoro-
1490	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1491	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1492	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1493	C₂Br₄	tetrabromoethene
1494	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1495	SiF₅^-	silicon pentafluoride anion
1496	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1497	AsF₅	Arsenic pentafluoride	¹A₁^'	D_3h
1498	SF₅	Sulfur pentafluoride	²A₁	C_4v
1499	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1500	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
1501	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
1502	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1503	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1504	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
1505	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1506	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1507	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1508	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1509	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1510	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1511	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1512	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1513	C₄H₈O₂	Butanoic acid	¹A	C₁
1514	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1515	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1516	C₇H₁₄	cycloheptane	¹A	C₂
1517	CH(CN)₃	tricyanomethane
1518	HN=C=C(CN)₂	Dicyanoketenimine
1519	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1520	C₅H₈O₂	Acetylacetone	¹A	C₂
1521	C₇H₁₀	Norbornene
1522	F₂CCCF₂	tetrafluoroallene
1523	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1524	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1525	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1526	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1527	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1528	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1529	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1530	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1531	C₈H₆	Calicene	¹A₁	C_2v
1532	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1533	S₄N₄	Tetrasulfur tetranitride
1534	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1535	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1536	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1537	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1538	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
1539	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h
1540	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1541	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1542	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1543	C₆H₄Cl₂	1,4-dichlorobenzene
1544	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1545	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1546	C₉H₂₀	Nonane	¹A₁	C_2v
1547	C(CN)₄	tetracyanomethane	¹A₁	T_d
1548	CH₃COC₆H₅	acetophenone	¹A	C₁
1549	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	¹A₁^'	D_3h
1550	C₃F₆	hexafluoropropene
1551	C₈H₁₈O	1-Octanol
1552	C₁₀H₈	Azulene	¹A₁	C_2v
1553	C₁₀H₈	naphthalene	¹A_g	D_2h
1554	C₁₀H₁₀	bullvalene
1555	C₆N₄	Tetracyanoethylene	¹A_G	D_2h
1556	C₄F₆	perfluorobutadiene	¹A_g	C_2h
1557	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1558	C₁₂H₈	biphenylene	¹A_g	D_2h
1559	S₂F₁₀	disulphur decafluoride
1560	C₆H₅COC₆H₅	benzophenone	¹A	C₂

Species NOT done yet

count	Species	Name	file name
1	D^-	Deuterium atom anion	d-
2	D⁺	Deuterium atom cation	d+
3	HeH	Helium hydride	heh
4	Na⁺	Sodium atom cation	na+
5	K	Potassium atom	k
6	K^-	Potassium atom anion	k-
7	K⁺	Potassium atom cation	k+
8	Cu	Copper atom	cu
9	Cu^-	Copper atom anion	cu-
10	Cu⁺	Copper atom cation	cu+
11	KH	Potassium hydride	kh
12	KH⁺	Potassium hydrogen cation	kh+
13	CuH	Copper monohydride	cuh
14	Be^-	Beryllium atom anion	be-
15	Ca^-	Calcium atom anion	ca-
16	Ca⁺	Calcium atom cation	ca+
17	Zn	Zinc atom	zn
18	Zn^-	Zinc atom anion	zn-
19	Zn⁺	Zinc atom cation	zn+
20	ZnH	Zinc monohydride	znh
21	CaH₂	Calcium Hydride	cah2
22	ZnH₂	Zinc hydride	znh2
23	B^-	Boron atom anion	b-
24	AlH₄^-	Aluminum tetrahydride anion	alh4-
25	C^-	Carbon atom anion	c-
26	Ti	Titanium atom	ti
27	Ti^-	Titanium atom anion	ti-
28	Ti⁺	Titanium atom cation	ti+
29	Sn	Tin atom	sn
30	Sn⁺	Tin cation	sn+
31	SiH₄⁺	Silane cation	sih4+
32	SnH₄	Stannane	snh4
33	Sb	Antimony atom	sb
34	SbH	Antimony monohydride	sbh
35	SbH₃	Stibine	sbh3
36	Cr	Chromium atom	cr
37	Te	Tellurium atom	te
38	Te⁺	Tellurium atom cation	te+
39	CrH	Chromium hydride	crh
40	TeH	Telluryl radical	teh
41	H₂Te	Hydrogen Telluride	h2te
42	Mn	Manganese atom	mn
43	I	Iodine atom	iodine
44	I^-	Iodine atom anion	iodine-
45	I⁺	Iodine atom cation	iodine+
46	HI	Hydrogen iodide	hi
47	HI⁺	Hydrogen iodide cation	hi+
48	H₂F⁺	dihydrogen fluoride cation	h2f+
49	H₂I⁺	Iodonium	h2i+
50	Fe	Iron atom	fe
51	Xe	Xenon atom	xe
52	XeH⁺	Xenon, protonated	xeh+
53	Co	Cobalt atom	cobalt
54	Ni	Nickel atom	ni
55	Li₂⁺	lithium diatomic cation	li2+
56	LiK	Lithium Potassium	lik
57	NaK	Sodium Potassium	nak
58	NaK⁺	Sodium Potassium diatomic cation	nak+
59	K₂	Potassium diatomic	k2
60	Cu₂	Copper diatomic	cu2
61	Al₂	Aluminum diatomic	al2
62	ZnCH₂	Zinc methylene	znch2
63	CCH₂	vinylidene	vinylidene
64	CuCH₃	monomethyl copper	cuch3
65	ZnCH₃	Zinc monomethyl	znch3
66	CH₂SiH₂	silaethylene	ch2sih2
67	C₂H₅⁺	Ethyl cation	c2h5+
68	CH₃SiH₃	methyl silane	ch3sih3
69	CP	Carbon monophosphide	cp
70	SiN	Silicon nitride	sin
71	TiN	Titanium mononitride	tin
72	SbN	Antimony nitride	sbn
73	HNB	hydrogen nitrogen boron	hnb
74	HNC	hydrogen isocyanide	hnc
75	HCP	Phosphaethyne	hcp
76	NNH	Dinitrogen monohydride	nnh
77	HPO	Hydrogen phosphorus oxide	hpo
78	P₂H₄	Diphosphine	p2h4
79	CH₃PH₂	Methyl phosphine	ch3ph2
80	LiO^-	lithium oxide anion	lio-
81	NaO^-	sodium oxide anion	nao-
82	KO	Potassium monoxide	ko
83	KO⁺	Potassium monoxide cation	ko+
84	CuO	Copper Monoxide	cuo
85	BeS	beryllium sulfide	bes
86	MgO	magnesium oxide	mgo
87	MgS	magnesium sulfide	mgs
88	ZnO	zinc monoxide	zno
89	AlO	Aluminum monoxide	alo
90	BS	boron sulfide	bs
91	AlS	Aluminum sulfide	als
92	TeO	Tellurium monoxide	teo
93	Te₂	Tellurium diatomic	te2
94	NaOH	sodium hydroxide	naoh
95	KOH	Potassium hydroxide	koh
96	MgOH	magnesium hydroxide	mgoh
97	CaOH	Calcium monohydroxide	caoh
98	CH₃O	Methoxy radical	ch3o
99	CH₃S	thiomethoxy	ch3s
100	CH₃SeH	Methane selenol	ch3seh
101	H₂ONH₃	Water Ammonia Dimer	h2onh3
102	KF	Potassium Fluoride	kf
103	KCl	Potassium Chloride	kcl
104	CuF	Copper monofluoride	cuf
105	CuCl	Copper monochloride	cucl
106	NaBr	Sodium Bromide	nabr
107	KBr	Potassium Bromide	kbr
108	LiI	Lithium Iodide	lii
109	NaI	Sodium Iodide	nai
110	KI	Potassium Iodide	ki
111	BeF	Beryllium monofluoride	bef
112	BeCl	beryllium monochloride	becl
113	MgF	Magnesium monofluoride	mgf
114	CaF	Calcium monofluoride	caf
115	MgCl	magnesium monochloride	mgcl
116	CaCl	calcium monochloride	cacl
117	ZnF^-	Zinc monofluoride anion	znf-
118	ZnF⁺	Zinc monofluoride cation	znf+
119	ZnCl	Zinc monochloride	zncl
120	BCl	boron monochloride	bcl
121	AlI	Aluminum monoiodide	ali
122	CCl	carbon monochloride	ccl
123	NF	nitrogen fluoride	nf
124	PF	phosphorus monofluoride	pf
125	PCl	phosphorus chloride	pcl
126	SbF	Antimony monofluoride	sbf
127	SbCl	Antimony monochloride	sbcl
128	IO	Iodine monoxide	io
129	IF	Iodine monofluoride	if
130	ICl	Iodine monochloride	icl
131	IBr	Iodine monobromide	ibr
132	I₂	Iodine diatomic	i2
133	I₂⁺	Iodine diatomic cation	i2+
134	DOCl	Hypochlorous acid-d	docl
135	HOI	Hypoiodous acid	hoi
136	FHF	Hydrogen difluoride	fhf
137	H₂F₂	Hydrogen fluoride dimer	h2f2
138	CH₃I	methyl iodide	ch3i
139	SiH₃I	Silyl Iodide	sih3i
140	C₃H₃	Propargyl radical	propargyl
141	C₃H₃⁺	cyclopropenyl cation	cpr+
142	Zn(CH₃)₂	dimethyl zinc	dmz
143	SiH₂(CH₃)₂	dimethylsilane	dms
144	KCN	Potassium cyanide	kcn
145	CuCN	Copper cyanide	cucn
146	N₃^-	azide anion	n3-
147	HCNN	diazomethyl radical	hcnn
148	CH₂N₂	diazirine	ch2n2
149	CH₂NN	diazomethane	ch2nn
150	CH₃NC	methyl isocyanide	ch3nc
151	NHCHNH₂	aminomethanimine	cn2h4
152	C₂H₅N	Aziridine	c2h5n
153	CH₂CHNH₂	aminoethene	aminoethene
154	CH₂NCH₃	N-methylmethanimine	nmm
155	NH₂BHNH₂	diaminoborane	nh2bhnh2
156	CH₃NHCH₃	Dimethylamine	ch3nhch3
157	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
158	CNO^-	fulminate	cno-
159	NCO^-	cyanate	nco-
160	SCN	thiocyanato radical	scn
161	SCN^-	thiocyanide anion	scn-
162	BO₂	Boron dioxide	bo2
163	SiO₂	silicon dioxide	sio2
164	SCTe	Carbon sulfide Telluride	scte
165	PO₂	Phosphorus dioxide	po2
166	PO₂^-	Phosphorus dioxide anion	po2-
167	TeO₂	Tellurium Dioxide	teo2
168	CS₂H⁺	Carbon disulfide, protonated	cs2h+
169	HNCO	Isocyanic acid	hnco
170	HOCN	cyanic acid	hocn
171	HCO₂^-	formate anion	hco2-
172	HNNO	nitrosoazane	hnno
173	HNO₂	Nitrous acid	hno2
174	HCCOH	ethynol	hccoh
175	CH₂O₂	Dioxirane	diox
176	CH₃CO^-	Acetyl anion	ch3co-
177	CH₃OO	methylperoxy radical	ch3oo
178	CH₂CHOH	ethenol	ch2choh
179	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
180	CH₃OOH	Methyl peroxide	ch3ooh
181	H₂OH₂CO	water formaldehyde dimer	h2oh2co
182	CH₃CH₂OH	Ethanol	etoh
183	CH₃OCH₃	Dimethyl ether	meome
184	CH₃OHH₂O	methanol water dimer	ch3ohh2o
185	H₂OCH₃OH	water methanol dimer	h2och3oh
186	ZnF₂	Zinc difluoride	znf2
187	FCN	Cyanogen fluoride	fcn
188	ClCN	chlorocyanogen	clcn
189	ICN	Cyanogen iodide	icn
190	MgCl₂	Magnesium dichloride	mgcl2
191	ZnCl₂	Zinc dichloride	zncl2
192	CaF₂	Calcium difluoride	caf2
193	INO	Nitrosyl iodide	ino
194	CCl₂	dichloromethylene	ccl2
195	SiCl₂	Dichlorosilylene	sicl2
196	FOO	Dioxygen monofluoride radical	foo
197	ClOO	chloroperoxy radical	cloo
198	ClS₂	Sulfur chloride	cls2
199	NF₂	Difluoroamino radical	nf2
200	F₂O	Difluorine monoxide	f2o
201	Cl₂O	Dichlorine monoxide	cl2o
202	I₃^-	triiodide	i3-
203	HFCO	formyl fluoride	hfco
204	BHF₂	Difluoroborane	bhf2
205	BHCl₂	Borane, dichloro-	bhcl2
206	CH₂FCl	fluorochloromethane	ch2fcl
207	CH₂FI	fluoroiodomethane	ch2fi
208	CH₂ClI	chloroiodomethane	ch2cli
209	CH₂BrI	bromoiodomethane	ch2bri
210	CH₂I₂	Diiodomethane	ch2i2
211	CH₂CHF⁺	fluoroethene cation	ch2chf+
212	C₂H₃Cl	Ethene, chloro-	ch2chcl
213	C₂H₃Br	vinyl bromide	c2h3br
214	C₂H₃I	Vinyl iodide	c2h3i
215	C₂H₅F	fluoroethane	c2h5f
216	CH₃CH₂Cl	Ethyl chloride	c2h5cl
217	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
218	C₂H₅I	Ethyl iodide	c2h5i
219	XeF₂	Xenon difluoride	xef2
220	C₄⁺	Carbon tetramer cation	c4+
221	C₂H₃CCH	1-Buten-3-yne	c2h3cch
222	H₂CCCCH₂	Butatriene	h2cccch2
223	C₄H₆	1-Methylcyclopropene	c3100047
224	C₄H₆	Cyclobutene	c822355
225	C₄H₆	Methylenecyclopropane	c6142730
226	CH₂CCHCH₃	1,2-Butadiene	butad12
227	CH₃CCCH₃	2-Butyne	c503173
228	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
229	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
230	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
231	B(CH₃)₃	trimethylborane	bme3
232	Al(CH₃)₃	trimethyl aluminum	tma
233	C(CH₃)₃	Tert-butyl radical	tbutyl
234	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
235	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
236	CH₃CH(CH₃)CH₃	Isobutane	isobutane
237	SiH(CH₃)₃	trimethylsilane	trimsi
238	P₄	Phosphorus tetramer	p4
239	HCCCN	Cyanoacetylene	hcccn
240	C₃H₃N	acrylonitrile	ch2chcn
241	C₃H₇N	Cyclopropylamine	cpram
242	C₃H₇N	Azetidine	azet
243	C₄H₈	cyclobutane	cbutane
244	C₂H₈N₂	Ethylenediamine	ethdiam
245	CH₃NHNHCH₃	dimethyl hydrazine	dmh
246	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
247	N(CH₃)₃	Trimethylamine	trimeam
248	Li₂O₂	dilithium dioxide	li2o2
249	K₂O₂	dipotassium dioxide	k2o2
250	B₂O₂	Diboron dioxide	b2o2
251	CO₃	Carbon trioxide	co3
252	CO₃^--	carbonate	co3--
253	NO₃	Nitrogen trioxide	no3
254	TeO₃	Tellurium trioxide	teo3
255	HSO₃	Hydroxysulfonyl radical	hso3
256	C₂H₂CO	cyclopropenone	c2h2co
257	HCCCHO	2-propynal	hcccho
258	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
259	H₂CS₃	thiocarbonic acid	h2cs3
260	CH₃COO^-	acetate anion	ch3coo-
261	CH₃ONO	Methyl nitrite	ch3ono
262	H₃BO₃	Boric acid	h3bo3
263	C₃H₄O	2-Propyn-1-ol	c107197
264	C₃H₄O	allenol	c9000071
265	C₃H₄O	Cyclopropanone	cpone
266	C₃H₄O	Methylketene	c6004440
267	NH₂CONH₂⁺	Urea cation	urea+
268	NH₂CSNH₂	Thiourea	thiourea
269	C₂H₄O₂	1,3-dioxetane	c2h4o2
270	CH₃COOH	Acetic acid	ch3cooh
271	CH₃OCHO	methyl formate	ch3ocho
272	CHOCH₂OH	hydroxy acetaldehyde	haa
273	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
274	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
275	HCOOHH₂O	Formic acid water dimer	hcoohh2o
276	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
277	CH₃CONH₂	Acetamide	acetamide
278	C₃H₆O	Propylene oxide	prox
279	CH₃COCH₃	Acetone	acetone
280	C₃H₆S	Thietane	thietane
281	C₃H₆S	Thiirane, methyl-	methiirane
282	C₂H₆O₂	1,2-Ethanediol	ethdiol
283	CH₃OOCH₃	dimethylperoxide	dmp
284	CH₃SOCH₃	Dimethyl sulfoxide	dmso
285	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
286	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
287	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
288	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
289	C₃H₇SH	1-Propanethiol	prsh
290	CH₃CHSHCH₃	2-Propanethiol	isoprsh
291	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
292	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
293	Na₂F₂	Sodium Fluoride Dimer	na2f2
294	Na₂Cl₂	Disodium dichloride	na2cl2
295	C₂F₂	difluoroacetylene	c2f2
296	C₂Cl₂	dichloroacetylene	c2cl2
297	ClNO₂	Nitryl chloride	clno2
298	N₂F₂	(Z)-Difluorodiazene	n2f2_z
299	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
300	CCl₂O	Phosgene	cl2co
301	AlF₂Cl	Aluminum chloride difluoride	alclf2
302	AlFCl₂	Aluminum dichloride fluoride	alcl2f
303	AlCl₃	Aluminum trichloride	alcl3
304	AlBr₃	Aluminum Bromide	albr3
305	ClO₃	Chlorine trioxide	clo3
306	ClO₃^-	chlorate anion	clo3-
307	BrO₃^-	Bromate anion	bro3-
308	CF₃	Trifluoromethyl radical	cf3
309	CCl₃	Trichloromethyl radical	ccl3
310	SiCl₃	trichlorosilyl radical	sicl3
311	SiCl₃⁺	trichlorosilyl cation	sicl3+
312	FSSF	Difluorodisulfane	fssf
313	S₂F₂	Thio-thionyl fluoride	s2f2
314	SeOCl₂	selenium oxychloride	seocl2
315	NF₃⁺	Nitrogen trifluoride cation	nf3+
316	PF₃	Phosphorus trifluoride	pf3
317	PCl₃	Phosphorus trichloride	pcl3
318	SbF₃	Antimony Trifluoride	sbf3
319	SbCl₃	Antimony Trichloride	sbcl3
320	AsBr₃	Arsenic tribromide	asbr3
321	NI₃	Nitrogen triiodide	ni3
322	PI₃	Phosphorus triiodide	pi3
323	ClSSCl	Disulfur dichloride	s2cl2
324	BrF₃	Bromine trifluoride	brf3
325	IF₃	iodone trifluoride	if3
326	CHF₂Cl	difluorochloromethane	chf2cl
327	CHFCl₂	fluorodichloromethane	chfcl2
328	CHCl₃	Chloroform	chcl3
329	SiHCl₃	Trichlorosilane	sihcl3
330	CHF₂I	difluoroiodomethane	chf2i
331	CHFClI	fluorochloroiodomethane	chfcli
332	CHCl₂I	dichloroiodomethane	chcl2i
333	CHBr₃	bromoform	chbr3
334	CHI₃	Iodoform	chi3
335	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
336	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
337	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
338	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
339	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
340	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
341	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
342	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
343	CH₃COF	Acetyl fluoride	ch3cof
344	CH₃COCl	Acetyl Chloride	ch3cocl
345	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
346	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
347	CH₂CFCH₃	2-fluoropropene	2fpro
348	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
349	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
350	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
351	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
352	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
353	C₅H₆	1,3-Cyclopentadiene	c542927
354	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
355	C₅H₆	3-Penten-1-yne, (E)-	c2004695
356	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
357	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
358	C₅H₆	Cyclopropylacetylene	c6746947
359	C₅H₇	1,3-pentadienyl radical	pdyl
360	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
361	C₅H₈	1,2-Pentadiene	c591957
362	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
363	C₅H₈	1,3-Pentadiene, (E)-	c2004708
364	C₅H₈	1,4-Pentadiene	c591935
365	C₅H₈	1-pentyne	a1pentyne
366	C₅H₈	2,3-Pentadiene	c591968
367	C₅H₈	Cyclobutane, methylene-	c1120565
368	C₅H₈	Cyclopentene	c142290
369	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
370	C₅H₁₀	1-Butene, 2-methyl-	c563462
371	C₅H₁₀	2-Butene, 2-methyl-	c513359
372	C₅H₁₀	2-Pentene, (E)-	c646048
373	C₅H₁₀	2-Pentene, (Z)-	c627203
374	C₅H₁₀	Cyclopentane	c287923
375	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
376	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
377	C₅H₁₂	Butane, 2-methyl-	buta2
378	C₅H₁₂	Pentane	pentane
379	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
380	Si(CH₃)₄	tetramethylsilane	tms
381	N₂O₃	Dinitrogen trioxide	n2o3
382	C₃H₂N₂	Malononitrile	c3h2n2
383	C₂H₃N₃	1H-1,2,4-Triazole	c288880
384	C₃H₄N₂	1H-Pyrazole	1hpyraz
385	C₄H₅N	(E)-2-Butenenitrile	c627269
386	C₄H₅N	(Z)-2-Butenenitrile	c1190767
387	C₄H₅N	2H-pyrrole	pyrrole2
388	C₄H₅N	3H-pyrrole	pyrrole3
389	C₄H₅N	Cyclopropanecarbonitrile	c5500210
390	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
391	C₃H₆N₂	3-Aminopropionitrile	c151188
392	C₅H₈	Bicyclo[2.1.0]pentane	c185944
393	C₅H₈	Spiropentane	c157404
394	C₄H₉N	Cyclobutylamine	cbam
395	C₄H₉N	Pyrrolidine	pyrrolidine
396	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
397	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
398	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
399	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
400	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
401	CaCO₃	Calcium Carbonate	caco3
402	PO₄^---	phosphate	po4---
403	SO₄^--	sulfate	so4--
404	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
405	CHOCOOH	oxo acetic acid	oaa
406	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
407	CH₃NO₃	Methyl nitrate	ch3no3
408	C₄H₄O	Furan	furan
409	C₄H₄O⁺	Furan cation	furan+
410	C₄H₄S	Thiophene	furans
411	C₃H₄O₂	β–Propiolactone	beta
412	C₃H₄O₂	2-Propenoic acid	propenoic2
413	C₃H₄O₂	propanedial	propanedial
414	C₃H₄O₂	propenalol	propenalol
415	C₂H₄O₃	trioxolane124	triox
416	CH₂CHCONH₂	Acrylamide	c79061
417	CH₅N₃S	Hydrazinecarbothioamide	c79196
418	H₂NCH₂COOH	Glycine	glycine
419	C₄H₆O	cis-2-butenal	butenal2c
420	C₄H₆O	Cyclobutanone	cbutone
421	C₄H₆O	Furan, 2,3-dihydro-	furan23h
422	C₄H₆O	Furan, 2,5-dihydro-	furan25h
423	CHOCHCHCH₃	2-Butenal	butenal2
424	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
425	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
426	C₂H₆N₂O	Urea, methyl-	c598505
427	C₃H₆O₂	1,3-Dioxolane	dioxolane
428	CH₃COOCH₃	methyl acetate	aame
429	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
430	C₃H₇NO	dimethylformamide	dmf
431	C₃H₇NO	Propanamide	propanam
432	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
433	C₄H₈O	Cyclobutanol	c2919235
434	C₄H₈O	Furan, tetrahydro-	thf
435	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
436	CH₃COCH₂CH₃	2-Butanone	buta2one
437	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
438	CHOCH₂CH₂CH₃	Butanal	butanal
439	C₃H₈O₂	1,3-Propanediol	c504632
440	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
441	C₃H₈O₂	Methane, dimethoxy-	c109875
442	C₃H₈O₂	Propylene glycol	c57556
443	C₃H₈S₂	1,3-Propanedithiol	c109808
444	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
445	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
446	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
447	C₄H₁₀O	Ethoxy ethane	etoet
448	C₄H₁₀O	Propane, 2-methoxy-	c598538
449	C₄H₁₀O⁺	1-Butanol cation	butanol1+
450	C₂H₅SC₂H₅	Diethyl sulfide	etset
451	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
452	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
453	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
454	FNO₃	Fluorine nitrate	fno3
455	TiCl₄	Titanium tetrachloride	ticl4
456	ClO₄^-	perchlorate anion	clo4-
457	BF₄^-	tetrafluoroboron anion	bf4-
458	ClFO₃	Perchloryl fluoride	clfo3
459	SO₂Cl₂	Sulfuryl chloride	so2cl2
460	F₃NO	Nitrogen trifluoride oxide	f3no
461	F₃PO	Phosphoryl fluoride	pf3o
462	Cl₃PO	Phosphoryl chloride	pcl3o
463	CF₄	Carbon tetrafluoride	cf4
464	SiF₄	Silicon tetrafluoride	sif4
465	CFCl₃	Trichloromonofluoromethane	cfcl3
466	CCl₄	Carbon tetrachloride	ccl4
467	CCl₄⁺	Carbon tetrachloride cation	ccl4+
468	SiCl₄	Silane, tetrachloro-	sicl4
469	CF₃I	trifluoroiodomethane	cf3i
470	CCl₃I	trichloroiodomethane	ccl3i
471	CFClBrI	fluorochlorobromoiodomethane	cfclbri
472	CF₂I₂	difluorodiiodomethane	cf2i2
473	CCl₂I₂	dichlorodiiodomethane	ccl2i2
474	CBr₃I	tribromoiododmethane	cbr3i
475	CI₄	tetraiodomethane	ci4
476	SiI₄	silicon tetraiodide	sii4
477	C₂HF₃	Trifluoroethylene	c2hf3
478	CHClCCl₂	Trichloroethylene	chclccl2
479	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
480	HSO₃F	Fluorosulfonic acid	hso3f
481	CHClCCHCl	1,3-dichloroallene	chclcchcl
482	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
483	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
484	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
485	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
486	CH₃CBr₃	1,1,1-tribromoethane	ch3cbr3
487	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
488	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
489	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
490	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
491	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
492	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	prdicl22
493	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
494	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
495	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
496	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
497	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
498	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
499	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
500	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
501	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
502	C₄H₉F	1-fluorobutane	butaf1
503	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
504	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
505	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
506	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
507	XeF₄	Xenon tetrafluoride	xef4
508	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
509	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
510	C₆H₄	Benzyne	benzyne
511	C₆H₅	phenyl	phenyl
512	C₆H₆	2,4-Hexadiyne	hexadiyne
513	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
514	C₆H₆	Benzene	benzene
515	C₆H₆⁺	Benzene cation	c6h6+
516	C₆H₈	(E)-hexa-1,3,5-triene	c821078
517	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
518	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
519	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
520	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
521	C₆H₈	3-Methylenecyclopentene	c930267
522	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
523	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
524	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
525	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
526	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
527	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
528	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
529	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
530	C₆H₁₀	1-Hexyne	hexyne1
531	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
532	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
533	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
534	C₆H₁₀	2-Hexyne	c764352
535	C₆H₁₀	cyclohexene	cyclohexene
536	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
537	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
538	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
539	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
540	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
541	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	dmcb13t
542	C₆H₁₂	(E)-2-Hexene	e2hexene
543	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
544	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
545	C₆H₁₂	(Z)-hex-2-ene	z2hexene
546	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
547	C₆H₁₂	3-methylenepentane	c760214
548	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
549	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
550	C₆H₁₂	Cyclohexane	cyclohexane
551	C₆H₁₂	Cyclopentane, methyl-	c96377
552	C₆H₁₂	Ethylcyclobutane	c4806615
553	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
554	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
555	C₆H₁₄	Hexane	hexane
556	C₆H₁₄	Pentane, 2-methyl-	penta2
557	C₆H₁₄	Pentane, 3-methyl-	penta3
558	C₄N₂	2-Butynedinitrile	c4n2
559	C₂H₂N₄	sym-tetrazine	ttz
560	C₃H₃N₃	1,3,5-Triazine	triazine135
561	CH₃N₅	5-Aminotetrazole	c4418615
562	C₄H₄N₂	1,3-Diazine	diazine13
563	C₄H₄N₂	Pyrazine	pyrazine
564	C₄H₄N₂	Pyridazine	pyridazine
565	C₄H₄N₂	Succinonitrile	c110612
566	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
567	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
568	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
569	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
570	C₅H₅N	E-2,4-pentadienenitrile	bdcn
571	C₅H₅N	Pyridine	pyridine
572	B₃N₃H₆	borazine	borazine
573	C₆H₆	Fulvene	fulvene
574	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
575	C₅H₇N	(E)-2-Pentenenitrile	c26294984
576	C₅H₇N	(E)-3-Pentenenitrile	c16529661
577	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
578	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
579	C₅H₇N	Cyclobutanecarbonitrile	c4426113
580	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
581	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
582	C₅H₉N	Pentanenitrile	c110598
583	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
584	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
585	C₅H₁₁N	Cyclopentanamine	cypentam
586	C₅H₁₁N	Piperidine	piper
587	C₄H₁₂N₂	1,2-Butanediamine	c4426486
588	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
589	Li₂CO₃	Lithium Carbonate	li2co3
590	C₂H₃NO₃	Oxamic acid	oxamic
591	C₄H₄O₂	2(5H)-Furanone	furanone
592	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
593	C₂H₄N₂O₂	Oxalamide	oxalamide
594	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
595	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
596	C₂H₄O₄	Formic acid dimer	fadimer
597	C₄H₅NO	3-Methylisoxazole	isox3m
598	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
599	C₄H₅NS	4-Methylthiazole	c693958
600	C₅H₆O	2-methylfuran	furan2m
601	C₅H₆S	Thiophene, 2-methyl-	c554143
602	C₅H₆S	Thiophene, 3-methyl-	c616444
603	C₄H₆O₂	2,3-Butanedione	c431038
604	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
605	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
606	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
607	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
608	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
609	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
610	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
611	C₄H₆OS	Vinyl sulfoxide	c1115157
612	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
613	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
614	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
615	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
616	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
617	C₄H₇NO	2-Pyrrolidinone	c616455
618	C₄H₇NO	Ethoxyacetonitrile	etoaccn
619	C₄H₇NO	Methacrylamide	c79390
620	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
621	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
622	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
623	CH₃CH(NH₂)COOH	Alanine	alanine
624	CH₃NHCH₂COOH	Sarcosine	sarcosine
625	NH₂CH₂CH₂COOH	β–alanine	betaalanine
626	NH₂COOC₂H₅	Urethane	urethane
627	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
628	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
629	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
630	NH₂CONHC₂H₅	Urea, ethyl-	c625525
631	C₄H₈O₂	1,3-Dioxane	dioxan13
632	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
633	C₄H₈O₂	1,4-Dioxane	dioxan14
634	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
635	C₄H₈OS	s-Ethyl thioacetate	c625605
636	C₃H₈O₃	1,2,3-Propanetriol	glycerin
637	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
638	C₄H₉NO	Butanamide	c541355
639	C₄H₉NO	Propanamide, 2-methyl-	c563837
640	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
641	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
642	C₅H₁₀O	2-Pentanone	mpk
643	C₅H₁₀O	Cyclopentanol	c96413
644	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
645	C₅H₁₀O	Pentanal	pal
646	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
647	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
648	C₅H₁₀S	Cyclopentanethiol	c1679078
649	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
650	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
651	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
652	C₄H₁₀O₂	1,3-Butanediol	budiol13
653	C₄H₁₀O₂	1,4-Butanediol	budiol14
654	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
655	C₄H₁₀OS	Diethyl sulfoxide	c70291
656	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
657	C₄H₁₁NO	Diethylhydroxylamine	c3710847
658	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
659	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
660	C₅H₁₂O	1-Pentanol	pentanol1
661	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
662	C₅H₁₂O	2-Pentanol	peol2
663	C₅H₁₂O	3-Pentanol	pentan3ol
664	C₅H₁₂O	Butane, 1-methoxy-	meobu
665	C₅H₁₂O	Propane, 1-ethoxy-	proet
666	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
667	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
668	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
669	C₅H₁₂S	1-Pentanethiol	c110667
670	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
671	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
672	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
673	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
674	C₅H₁₂S	Ethyl propyl sulfide	c4110503
675	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
676	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
677	CF₃CN	Acetonitrile, trifluoro-	cf3cn
678	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
679	B₂F₄	Diboron tetrafluoride	b2f4
680	C₂F₄	Tetrafluoroethylene	c2f4
681	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
682	C₂FCl₃	fluorotrichloroethene	c2fcl3
683	C₂Cl₄	Tetrachloroethylene	c2cl4
684	PF₅	Phosphorus pentafluoride	pf5
685	PCl₅	Phosphorus pentachloride	pcl5
686	SbCl₅	Antimony pentachloride	sbcl5
687	BrF₅	bromine pentafluoride	brf5
688	ClF₅	chlorinepentafluoride	clf5
689	IF₅	pentafluoroiodine	if5
690	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
691	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
692	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
693	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
694	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
695	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
696	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
697	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
698	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
699	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
700	C₆H₅CH₂	benzyl radical	benzyl
701	C₆H₅CH₃	toluene	toluene
702	C₇H₈	cycloheptatriene	cht
703	C₇H₈	Norbornadiene	norbor
704	C₇H₈	Quadricyclane	qucy
705	C₇H₁₂	Norbornane	nor
706	C₇H₁₆	2-methylhexane	2mhex
707	C₇H₁₆	3-methylhexane	hex3m
708	C₇H₁₆	heptane	heptane
709	C₆H₇N	2-Methylpyridine	mp
710	C₆H₅NH₂	aniline	aniline
711	C₆H₁₃N	2-Methylpiperidine	pip2m
712	C₆H₁₃N	cyclohexanamine	cham
713	C₆H₁₅N	triethylamine	tea
714	N₂O₅	Dinitrogen pentoxide	n2o5
715	C₄H₂O₃	Maleic Anhydride	malan
716	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
717	C₅H₄O₂	furfural	furfural
718	C₆H₅O	phenoxy radical	phenoxy
719	C₅H₅NO	2(1H)-Pyridinone	c72762006
720	C₅H₅NO	2(3H)-Pyridinone	c9000048
721	C₅H₅NO	2(5H)-Pyridinone	c9000037
722	C₅H₅NO	2-Pyridinol	c109104
723	C₅H₅NO	3(2H)-Pyridinone	c9000004
724	C₅H₅NO	3(4H)-Pyridinone	c9000026
725	C₅H₅NO	3(6H)-Pyridinone	c9000015
726	C₅H₅NO	3-Pyridinol	c109002
727	C₅H₅NO	4(1H)-Pryidinone	c9000060
728	C₅H₅NO	4(3H)-Pryidinone	c9000059
729	C₅H₅NO	4-Pyridinol	c626642
730	C₆H₅OH	phenol	phenol
731	C₆H₆O	2,4-Cyclohexadienone	c24599573
732	C₆H₅SH	Benzenethiol	phsh
733	HO₂CCHNH₂CH₂OH	Serine	serine
734	C₄H₈O₂S	Sulfolane	sulfolane
735	CH(C₂H₃)₃	trivinyl methane	tvm
736	C₆H₁₀O	cyclohexanone	chexo
737	C₆H₁₂O	hexanal	c6h12o
738	C₆H₁₂O	Oxepane	oxepane
739	C₃H₇OC₃H₇	di-n-propyl ether	propr
740	CF₃COCl	trifluoroacetyl chloride	cf3cocl
741	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
742	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
743	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
744	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
745	C₆H₅F	Fluorobenzene	bzf
746	C₆H₅Cl	chlorobenzene	bzcl
747	C₆H₅Br	bromobenzene	bzbr
748	C₆H₅CCH	phenylacetylene	phac
749	C₈H₆	benzocyclobutadiene	bcbd
750	C₈H₆	Pentalene	pentalene
751	C₆H₅CHCH₂	Styrene	styrene
752	C₈H₈	cubane	cubane
753	C₈H₈	cyclooctatetraene	cot
754	C₆H₅CH₂CH₃	Ethylbenzene	etbz
755	CH₃C₆H₄CH₃	meta-xylene	mxylene
756	CH₃C₆H₄CH₃	paraxylene	pxylene
757	C₈H₁₆	cyclooctane	cyclooct
758	(CH₃)₃CC(CH₃)₃	tetramethylbutane	tmb
759	C₈H₁₈	Octane	c8h18
760	C₆H₅CN	phenyl cyanide	phcn
761	C₆H₁₂N₂	Triethylenediamine	ted
762	C₄O₄^--	squarate dianion	c4o4--
763	S₈	Octasulfur	s8
764	C₆H₄O₂	parabenzoquinone	pbq
765	C₄H₄N₂O₂	Uracil	uracil
766	C₆H₅OCH₃	Anisole	anisole
767	C₅H₉NO₂	Proline	proline
768	C₆H₁₂O₂	Methyl pivalate	c598981
769	C₆H₁₂O₂	Hexanoic acid	hexa
770	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
771	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
772	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
773	C₂F₆	hexafluoroethane	c2f6
774	IF₇	Iodine heptafluoride	if7
775	C₆H₄F₂	metadifluorobenzene	mdfb
776	C₆H₄F₂	orthodifluorobenzene	odfb
777	C₆H₄Cl₂	1,3-dichlorobenzene	dcb13
778	C₉H₈	Indene	indene
779	C₉H₁₂	n-propyl benzene	prbz
780	C₅H₄N₄	purine	purine
781	C₈H₇N	Indole	indole
782	C₃H₃N₃O₃	cyanuric acid	cyanuric
783	C₆H₅NO₂	Nitrobenzene	c6h5no2
784	C₆H₅COOH	benzoic acid	benzo
785	C₆H₃F₃	Benzene trifluoride 123	bzf3a
786	C₁₀H₁₆	adamantane	adamantane
787	C₆N₄^-	tetracyanoethylene anion	tcne-
788	C₁₀H₂₂	Decane	decane
789	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
790	C₃F₈	perfluoropropane	c3f8
791	Fe(CO)₅	Iron pentacarbonyl	ipc
792	Fe(C₅H₅)₂	ferrocene	fecp2
793	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
794	C₁₂H₈	Acenaphthylene	acenaph
795	C₁₂H₁₀	biphenyl	biphenyl
796	C₁₂H₁₀	Heptalene	heptalene
797	C₆H₁₂O₆	Inositol	inositol
798	C₆F₆	hexafluorobenzene	c6f6
799	C₁₃H₁₀	Fluorene	fluorene
800	C₁₄H₁₀	Anthracene	anth
801	C₁₄H₁₀	Phenanthrene	phenanthrene
802	C₁₄H₁₄	Bibenzyl	bibenzyl
803	C₁₂H₁₀N₂	azobenzene	azobenzene
804	C₁₆H₁₀	Pyrene	pyrene
805	C₁₈H₁₂	Tetracene	tetracene
806	C₁₉H₁₆	Triphenylmethane	tpm
807	C₂₄H₁₂	Coronene	coronene
808	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