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

List of which calculations are completed at B97D3 /cc-pVTZ

count	Species	Name	State	Conformation
1	D	Deuterium atom	¹S	K_h
2	D^-	Deuterium atom anion	²S	K_h
3	D⁺	Deuterium atom cation		K_h
4	H	Hydrogen atom	¹S	K_h
5	H^-	Hydrogen atom anion	²S	K_h
6	H⁺	Hydrogen atom cation		K_h
7	D₂	Deuterium diatomic	¹Σ_g	D_∞h
8	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
9	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
10	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
11	HD	Deuterium hydride	¹Σ_g	D_∞h
12	H₃⁺	hydrogen trimer cation	¹A₁^'	D_3h
13	He	Helium atom	¹S	K_h
14	He	Helium atom
15	He^-	Helium atom anion	²S	K_h
16	He⁺	Helium atom cation	²S	K_h
17	HeH	Helium hydride	²Σ	C_∞v
18	HeH⁺	Helium hydride cation	¹Σ	C_∞v
19	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
20	Li	Lithium atom	²S	K_h
21	Li^-	Lithium atom anion	¹S	K_h
22	Li⁺	Lithium atom cation	¹S	K_h
23	Na	Sodium atom	²S	K_h
24	Na^-	Sodium atom anion	¹S	K_h
25	Na⁺	Sodium atom cation	¹S	K_h
26	Cu	Copper atom	²S	K_h
27	Cu^-	Copper atom anion	¹S	K_h
28	Cu⁺	Copper atom cation	¹S	K_h
29	LiH	Lithium Hydride	¹Σ	C_∞v
30	LiH^-	lithium hydride anion	²Σ	C_∞v
31	LiH⁺	lithium hydride cation	²Σ	C_∞v
32	NaH	sodium hydride	¹Σ	C_∞v
33	NaH^-	sodium hydride anion	²Σ	C_∞v
34	NaH⁺	sodium hydride cation	²Σ	C_∞v
35	CuH	Copper monohydride	¹Σ	C_∞v
36	Be	Beryllium atom	¹S	K_h
37	Be^-	Beryllium atom anion	²P	K_h
38	Be⁺	Beryllium atom cation	²S	K_h
39	Mg	Magnesium atom	¹S	K_h
40	Mg^-	Magnesium atom anion	²P	K_h
41	Mg⁺	Magnesium atom cation	²S	K_h
42	Ca	Calcium atom	¹S	K_h
43	Ca^-	Calcium atom anion	²D	K_h
44	Ca⁺	Calcium atom cation	²S	K_h
45	Zn	Zinc atom	¹S	K_h
46	Zn^-	Zinc atom anion	²P	K_h
47	Zn⁺	Zinc atom cation	²S	K_h
48	BeH	beryllium monohydride	²Σ	C_∞v
49	BeH^-	berylium monohydride anion	¹Σ	C_∞v
50	BeH⁺	beryllium monohydride cation	¹Σ	C_∞v
51	MgH	magnesium monohydride	²Σ	C_∞v
52	MgH^-	magnesium monohydride anion	¹Σ	C_∞v
53	MgH⁺	magnesium monohydride cation	¹Σ	C_∞v
54	CaH	Calcium monohydride	²Σ	C_∞v
55	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
56	TiH	Titanium monohydride	⁴Φ	C_∞v
57	ZnH	Zinc monohydride	²Σ	C_∞v
58	ZnH⁺	Zinc, protonated
59	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
60	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
61	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
62	BeH₂⁺	Beryllium dihydride cation
63	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
64	CaH₂	Calcium Hydride	¹Σ_g	D_∞h
65	CaH₂	Calcium Hydride	¹A₁	C_2v
66	ZnH₂	Zinc hydride	¹Σ_g	D_∞h
67	ZnH₂	Zinc hydride	¹A₁	C_2v
68	B	Boron atom	²P	K_h
69	B	Boron atom	⁴P	K_h
70	B^-	Boron atom anion	³P	K_h
71	B^-	Boron atom anion	¹D	K_h
72	B⁺	Boron atom cation	¹S	K_h
73	Al	Aluminum atom	²P	K_h
74	Al^-	Aluminum atom anion	³P	K_h
75	Al^-	Aluminum atom anion	¹D	K_h
76	Al⁺	Aluminum atom cation	¹S	K_h
77	Sc	Scandium atom	²D	K_h
78	Sc	Scandium atom	⁴F	K_h
79	Sc⁺	Scandium cation	³D	K_h
80	Ga	Gallium atom	²P
81	Ga^-	Gallium atom anion	³P	O_h
82	Ga⁺	Gallium atom cation	¹S
83	BH	Boron monohydride	¹Σ	C_∞v
84	BH^-	boron monohydride anion	²Π	C_∞v
85	BH^-	boron monohydride anion	⁴Σ	C_∞v
86	BH⁺	boron monohydride cation	²Σ	C_∞v
87	AlH	aluminum monohydride	¹Σ	C_∞v
88	AlH^-	aluminum monohydride anion	²Π	C_∞v
89	AlH⁺	aluminum monohydride cation	²Σ	C_∞v
90	ScH	Scandium monohydride	¹Σ	C_∞v
91	GaH	Gallium monohydride	¹Σ	C_∞v
92	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
93	BH₂	boron dihydride	²A₁	C_2v
94	BH₂^-	boron dihydride anion	³B₁	C_2v
95	BH₂^-	boron dihydride anion	¹A₁	C_2v
96	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
97	AlH₂	aluminum dihydride	²A₁	C_2v
98	AlH₂^-	aluminum dihydride anion	¹A₁	C_2v
99	AlH₂⁺	aluminum dihydride cation	¹Σ_g	D_∞h
100	BH₃	boron trihydride	¹A₁^'	D_3h
101	BH₃^-	boron trihydride anion	²A₂^"	D_3h
102	BH₃^-	boron trihydride anion	²A₁	C_3v
103	BH₃⁺	boron trihydride cation	²E^'	D_3h
104	BH₃⁺	boron trihydride cation	²B₂	C_2v
105	BH₃⁺	boron trihydride cation		C_2v
106	AlH₃	aluminum trihydride	¹A₁^'	D_3h
107	AlH₃^-	aluminum trihydride anion	²A₂^"	D_3h
108	AlH₃^-	aluminum trihydride anion		C_3v
109	AlH₃⁺	aluminum trihydride cation	²E	D_3h
110	AlH₃⁺	aluminum trihydride cation	²A₁	C_2v
111	GaH₃	Gallium trihydride	¹A₁^'	D_3h
112	BH₄^-	borohydride anion	¹A₁	T_d
113	AlH₄^-	Aluminum tetrahydride anion	¹A₁	T_d
114	C	Carbon atom	³P₀	K_h
115	C	Carbon atom	³P₁	K_h
116	C^-	Carbon atom anion	⁴S	K_h
117	C^-	Carbon atom anion	²D	K_h
118	C⁺	Carbon atom cation	²P	K_h
119	Si	Silicon atom	³P	K_h
120	Si	Silicon atom	¹S	K_h
121	Si^-	Silicon atom anion	⁴S	K_h
122	Si⁺	Silicon atom cation	²P	K_h
123	Ti	Titanium atom	³F	K_h
124	Ti^-	Titanium atom anion	⁴F	K_h
125	Ti⁺	Titanium atom cation	²D	K_h
126	Ge	Germanium atom	³P	K_h
127	Ge^-	Germanium anion	⁴S	K_h
128	Ge⁺	Germanium cation	²P	K_h
129	CH	Methylidyne	²Π_1/2	C_∞v
130	CH	Methylidyne	⁴Σ^-	C_∞v
131	CH^-	methylidyne anion	³Σ	C_∞v
132	CH⁺	Methylidyne cation	¹Σ	C_∞v
133	SiH	Silylidyne	²Π	C_∞v
134	SiH^-	silicon monohydride anion	³Σ	C_∞v
135	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
136	GeH	germylidene	²Π	C_∞v
137	CH₂	Methylene	³B₁	C_2v
138	CH₂	Methylene	³Σ_G	D_∞h
139	CH₂	Methylene	¹A₁	C_2v
140	CH₂^-	methylene anion	²B₁	C_2v
141	CH₂⁺	methylene cation	²A₁	C_2v
142	CH₂⁺	methylene cation	²Π	D_∞h
143	SiH₂	silicon dihydride	¹A₁	C_2v
144	SiH₂	silicon dihydride	³B₁	C_2v
145	SiH₂^-	silicon dihydride anion	²B₁	C_2v
146	SiH₂⁺	silicon dihydride cation	²A₁	C_2v
147	GeH₂	germylene	¹A₁	C_2v
148	GeH₂^-	germylene anion	²B₁	C_2v
149	CH₃	Methyl radical	²A₁	D_3h
150	CH₃^-	methyl anion	¹A₁	C_3v
151	CH₃⁺	methyl cation	¹A₁^'	D_3h
152	SiH₃	Silyl radical	²A₁	C_3v
153	SiH₃^-	Silyl anion	¹A₁	C_3v
154	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
155	GeH₃	Germyl radical	²A₁	C_3v
156	GeH₃⁺	germyl cation	¹A₁^'	D_3h
157	CD₄	methane-d4	¹A₁	T_d
158	CH₂D₂	methane-d2	¹A₁	C_2v
159	CH₃D	methane-d	¹A₁	C_3v
160	CH₄	Methane	¹A₁	T_d
161	CH₄⁺	Methane cation	²B₁	C_2v
162	CH₄⁺	Methane cation	²T₂	T_d
163	CH₄⁺	Methane cation	²B₂	D_2d
164	CHD₃	methane-d3	¹A₁	C_3v
165	SiH₂D₂	silane-d2
166	SiH₄	Silane	¹A₁	T_d
167	SiH₄⁺	Silane cation	²B₁	C_2v
168	GeH₄	Germane	¹A₁	T_d
169	SiH₅⁺	Silane, protonated
170	N	Nitrogen atom	⁴S	K_h
171	N	Nitrogen atom	²D	K_h
172	N^-	Nitrogen atom anion	³S	K_h
173	N⁺	Nitrogen atom cation	³P	K_h
174	P	Phosphorus atom	⁴S	K_h
175	P^-	Phosphorus atom anion	³P	K_h
176	P⁺	Phosphorus atom cation	³P	K_h
177	V	Vanadium atom	⁴F	K_h
178	V⁺	Vanadium atom cation	⁵D	K_h
179	As	Arsenic atomic	⁴S	K_h
180	As^-	Arsenic anion	³P	K_h
181	As⁺	Arsenic cation	³P	K_h
182	NH	Imidogen	³Σ^-	C_∞v
183	NH	Imidogen	¹Σ⁺	C_∞v
184	NH^-	Imidogen anion	²Π	C_∞v
185	NH⁺	imidogen cation	²Π	C_∞v
186	PH	phosphorus monohydride	³Σ^-	C_∞v
187	PH	phosphorus monohydride	¹Δ	C_∞v
188	PH	phosphorus monohydride	¹Σ⁺	C_∞v
189	PH^-	phosphorus monohydride anion	²Π	C_∞v
190	PH⁺	phosphorus monohydride cation	²Π	C_∞v
191	AsH	Arsenic monohydride	³Σ	C_∞v
192	AsH	Arsenic monohydride	¹Σ	C_∞v
193	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
194	ND₂	Amidogen-d2	²B₁	C_2v
195	NH₂	Amino radical	²B₁	C_2v
196	NH₂^-	amino anion	¹A₁	C_2v
197	NH₂⁺	Amino cation	³B₁	C_2v
198	NH₂⁺	Amino cation	¹A₁	C_2v
199	PH₂	Phosphino radical	²B₁	C_2v
200	PH₂^-	Phosphino anion	¹A₁	C_2v
201	PH₂⁺	Phosphino cation	¹A₁	C_2v
202	AsH₂	Arsenic dihydride	²A₁	C_2v
203	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
204	ND₃	Ammonia-d3	¹A₁	C_3v
205	NH₃	Ammonia	¹A₁	C_3v
206	NH₃⁺	ammonia cation	²A₂^"	D_3h
207	PH₃	Phosphine	¹A₁	C_3v
208	PH₃⁺	Phosphine cation	²A₁	C_3v
209	AsH₃	Arsine	¹A₁	C_3v
210	AsH₃⁺	Arsine cation	²A₁	C_3v
211	AsH₄⁺	Arsonium
212	NH₄	Ammonium radical
213	NH₄⁺	ammonium cation	¹A₁	T_d
214	PH₄	Phosphoranyl radical
215	PH₄⁺	phosphonium cation
216	O	Oxygen atom	³S	K_h
217	O^-	Oxygen atom anion	²P	K_h
218	O⁺	Oxygen atom cation	⁴S	K_h
219	S	Sulfur atom	³P	K_h
220	S	Sulfur atom
221	S^-	Sulfur atom anion	²P	K_h
222	S⁺	Sulfur atom cation	⁴S	K_h
223	Se	Selenium atom	³P	K_h
224	Se^-	Selenium atom anion	²P	K_h
225	Se⁺	Selenium atom cation	⁴S	K_h
226	DO	Hydroxyl-d	²Π	C_∞v
227	OH	Hydroxyl radical	²Π	C_∞v
228	OH^-	hydroxide anion	¹Σ	C_∞v
229	OH⁺	hydoxyl cation	³Σ	C_∞v
230	OH⁺	hydoxyl cation	³Π	C_∞v
231	OH⁺	hydoxyl cation	¹Σ	C_∞v
232	DS	Mercapto-d	²Π	C_∞v
233	HS	Mercapto radical	²Π	C_∞v
234	HS^-	mercapto anion	¹Σ	C_∞v
235	HS⁺	sulfur monohydride cation	³Σ	C_∞v
236	HS⁺	sulfur monohydride cation	¹Π	C_∞v
237	CrH	Chromium hydride	⁶Σ	C_∞v
238	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
239	HSe	Selenium monohydride	²Π	C_∞v
240	HSe^-	selenium monohydride anion	¹Σ	C_∞v
241	HSe⁺	selenium monohydride cation	³Σ	C_∞v
242	HSe⁺	selenium monohydride cation	¹Σ	C_∞v
243	D₂O	Deuterium oxide	¹A₁	C_2v
244	H₂O	Water	¹A₁	C_2v
245	H₂O^-	water anion	²A₁	C_2v
246	H₂O^-	water anion	²A^'	C_s
247	H₂O⁺	water cation	²B₁	C_2v
248	HDO	Water-d1	¹A₁	C_2v
249	D₂S	Hydrogen sulfide-d2	¹A₁	C_2v
250	H₂S	Hydrogen sulfide	¹A₁	C_2v
251	H₂S^-	Hydrogen sulfide anion	²B₂	C_2v
252	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
253	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
254	H₂Se	Hydrogen selenide	¹A₁	C_2v
255	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
256	H₃O⁺	hydronium cation	¹A₁	C_3v
257	H₃S⁺	Sulfonium cation	¹A₁	C_3v
258	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
259	F	Fluorine atom	²P	K_h
260	F^-	Fluorine atom anion	¹S	K_h
261	F⁺	Fluorine atom cation	³S	K_h
262	F⁺	Fluorine atom cation	¹D	K_h
263	Cl	Chlorine atom	²P	K_h
264	Cl^-	Chlorine atom anion	¹S	K_h
265	Cl^-	Chlorine atom anion		K_h
266	Cl⁺	Chlorine atom cation	³P	K_h
267	Cl⁺	Chlorine atom cation	¹D	K_h
268	Br	Bromine atom	²P	K_h
269	Br^-	Bromine atom anion	¹S	K_h
270	Br⁺	Bromine atom cation	³P	K_h
271	DF	Hydrofluoric acid-d	¹Σ	C_∞v
272	HF	Hydrogen fluoride	¹Σ	C_∞v
273	HF^-	hydrogen fluoride anion	²Σ	C_∞v
274	HF⁺	hydrogen fluoride cation	²Π	C_∞v
275	DCl	Hydrochloric acid-d	¹Σ	C_∞v
276	HCl	Hydrogen chloride	¹Σ	C_∞v
277	HCl^-	hydrogen chloride anion	²Σ	C_∞v
278	HCl⁺	hydrogen chloride cation	²Π	C_∞v
279	HBr	hydrogen bromide	¹Σ	C_∞v
280	HBr^-	hydrogen bromide anion	²Σ	C_∞v
281	HBr⁺	hydrogen bromide cation	²Π	C_∞v
282	H₂F⁺	dihydrogen fluoride cation	¹A₁	C_2v
283	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
284	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
285	Ne	Neon atom	¹S	K_h
286	Ne	Neon atom
287	Ne^-	Neon atom anion	²S	K_h
288	Ne⁺	Neon atom cation	²P	K_h
289	Ar	Argon atom	¹S	K_h
290	Ar^-	Argon atom anion	²S	K_h
291	Ar⁺	Argon atom cation	²P	K_h
292	Fe	Iron atom	⁵D	K_h
293	Kr	Krypton atom	¹S	K_h
294	Kr⁺	Krypton cation	²P	K_h
295	HeLi⁺	Helium Lithium cation
296	NeH	neon hydrogen	²Σ	C_∞v
297	NeH⁺	neon hydrogen cation	¹Σ	C_∞v
298	ArH⁺	Argon hydride cation	¹Σ	C_∞v
299	KrH⁺	Protonated Krypton	¹Σ	C_∞v
300	Li₂	Lithium diatomic	¹Σ_g	D_∞v
301	Li₂	Lithium diatomic	³Σ_u	D_∞v
302	Li₂^-	lithium diatomic anion	²Σ_u	D_∞h
303	Li₂⁺	lithium diatomic cation	²Σ_g	D_∞h
304	NaLi	lithium sodium	¹Σ	C_∞v
305	NaLi^-	lithium sodium anion	²Σ	C_∞v
306	NaLi⁺	lithium sodium cation	²Σ	C_∞v
307	Na₂	Sodium diatomic	¹Σ_g	D_∞h
308	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
309	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
310	Cu₂	Copper diatomic	¹Σ_g	D_∞h
311	LiBe	Lithium Beryllium	²Σ	C_∞v
312	LiMg	Lithium magnesium	²Σ	C_∞v
313	NaBe	Sodium Beryllium	²Σ	C_∞v
314	NaMg	Sodium Magnesium	²Σ	C_∞v
315	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
316	Be₂	Beryllium diatomic	³Π_g	D_∞h
317	Be₂^-	Beryllium diatomic anion	²Π_u	D_∞h
318	Be₂⁺	Beryllium diatomic cation	²Σ_u	D_∞h
319	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
320	Mg₂^-	magnesium diatomic anion	²Π_U	D_∞h
321	Mg₂⁺	magnesium diatomic cation	²Σ_u	D_∞h
322	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
323	LiB	Lithium boride	³Π	C_∞v
324	LiAl	Lithium Aluminum
325	NaAl	Sodium aluminum	¹Σ	C_∞v
326	BeB	Beryllium monoboride	²Π	C_∞v
327	B₂	Boron diatomic	³Σ_g	D_∞h
328	B₂	Boron diatomic	¹Σ_g	D_∞h
329	B₂	Boron diatomic	⁵Σ_u	D_∞h
330	B₂^-	Boron diatomic anion	⁴Σ_g	D_∞h
331	B₂⁺	Boron diatomic cation	²Π	D_∞h
332	Al₂	Aluminum diatomic	³Σ_g	D_∞h
333	Al₂	Aluminum diatomic	¹Σ_g	D_∞h
334	Al₂	Aluminum diatomic	⁵Σ_u	D_∞h
335	Al₂^-	aluminum diatomic anion	⁴Σ_g	D_∞h
336	Al₂⁺	aluminum diatomic cation	²Σ_g	D_∞h
337	Ga₂	Gallium diatomic	³P_iu
338	HBBH	Diborane(2)	³Σ_G	D_∞h
339	LiBH₄	Lithium borohydride	¹A₁	C_3v
340	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
341	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
342	B₂H₆	Diborane	¹A_g	D_2h
343	B₂H₆⁺	Diborane cation
344	Al₂H₆	dialane	¹A_G	D_2h
345	Ga₂H₆	digallane	¹A_G	D_2h
346	LiC	Lithium Carbide	⁴Σ	C_∞v
347	BeC	Beryllium Carbide	³Σ^-	C_∞v
348	CaC	Calcium monocarbide
349	BC	boron monocarbide	⁴Σ^-	C_∞v
350	BC	boron monocarbide	²Π	C_∞v
351	BC^-	boron monocarbide anion	³Π_u	C_∞v
352	BC^-	boron monocarbide anion	¹Σ_g⁺	C_∞v
353	BC⁺	boron monocarbide cation	³Σ	C_∞v
354	BC⁺	boron monocarbide cation	¹Σ	C_∞v
355	AlC	Aluminum carbide	⁴Σ	C_∞v
356	BSi	Boron silicide	⁴Σ	C_∞v
357	BSi	Boron silicide	²Σ	C_∞v
358	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
359	C₂	Carbon diatomic	³Π_u	D_∞h
360	C₂	Carbon diatomic	¹Π_u
361	C₂^-	carbon diatomic anion	²Σ_g	D_∞h
362	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
363	C₂⁺	carbon diatomic cation	²Π	D_∞h
364	SiC	silicon monocarbide	³Σ	C_∞v
365	SiC	silicon monocarbide	¹Σ	C_∞v
366	SiC^-	silicon monocarbide anion	²Σ_g	C_∞v
367	SiC⁺	silicon monocarbide cation	²Π	C_∞v
368	Si₂	Silicon diatomic	³Σ_g	D_∞h
369	Si₂	Silicon diatomic	¹Σ_g	D_∞h
370	Si₂^-	silcon diatomic anion	²Σ_g	D_∞h
371	Si₂⁺	silcon diatomic cation	²Π	D_∞h
372	GeC	Germanium monocarbide	¹Σ	C_∞v
373	GeC	Germanium monocarbide
374	SiGe	Silicon Germanium
375	Ge₂	Germanium diatomic	³Σ_g	D_∞h
376	Ge₂	Germanium diatomic	¹Σ_G	D_∞h
377	C₂H	Ethynyl radical	²Σ	C_∞v
378	C₂H^-	Ethynyl anion	¹Σ	C_∞v
379	C₂H⁺	Ethynyl cation	³Π	C_∞v
380	C₂H⁺	Ethynyl cation	¹A^'	C_s
381	C₂H⁺	Ethynyl cation	¹Σ	C_∞v
382	ZnCH₂	Zinc methylene	³B₁	C_2v
383	ZnCH₂	Zinc methylene	¹A₁	C_2v
384	ZnCH₂	Zinc methylene	¹A^'	C_s
385	C₂H₂	Acetylene	¹Σ_g	D_∞h
386	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
387	C₂H₂⁺	acetylene cation
388	CCH₂	vinylidene	¹A₁	C_2v
389	CCH₂	vinylidene	³B₂	C_2v
390	H₂CC^-	vinylidene anion
391	HCCH^-	acetylene anion
392	HCCH^-	acetylene anion
393	Si₂H₂	disilyne
394	Si₂H₂	disilyne
395	Si₂H₂	disilyne
396	Si₂H₂	disilyne
397	CH₃Li	methyl lithium	¹A₁	C_3v
398	CuCH₃	monomethyl copper	¹A₁	C_3v
399	ZnCH₃	Zinc monomethyl	²A₁	C_3v
400	C₂H₃	vinyl	²A^'	C_s
401	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
402	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
403	C₂H₄	Ethylene	¹A_g	D_2h
404	C₂H₄^-	Ethylene anion	²B_2g	D_2h
405	C₂H₄^-	Ethylene anion	²A_g	C_2h
406	C₂H₄⁺	Ethylene cation	²B_3u	D_2h
407	C₂H₄⁺	Ethylene cation	²B₃	D₂
408	CH₃CH	methylmethylene	³A^"	C_s
409	CH₂SiH₂	silaethylene	¹A₁	C_2v
410	Si₂H₄	Disilene
411	Si₂H₄	Disilene
412	Si₂H₄	Disilene
413	C₂H₅	Ethyl radical	²A^'	C_s
414	C₂H₅^-	Ethyl anion	¹A^'	C_s
415	C₂H₅⁺	Ethyl cation	¹A₁	C_2v
416	C₂H₅⁺	Ethyl cation	¹A^'	C_s
417	C₂H₆	Ethane	¹A_1g	D_3d
418	C₂H₆	Ethane	¹A₁^'	D_3h
419	C₂H₆⁺	ethane cation	²B_g	C_2h
420	C₂H₆⁺	ethane cation	²A_g	C_i
421	C₂H₆⁺	ethane cation	²A_1g	D_3d
422	CH₃SiH₃	methyl silane	¹A₁	C₃
423	Si₂H₆	disilane	¹E_u	D_3d
424	GeH₃CH₃	methyl germane	¹A₁	C_3v
425	C₂H₇⁺	Ethane, protonated	¹A	C₂
426	C₂H₇⁺	Ethane, protonated	¹A_1g	D_3d
427	LiN	Lithium Nitride	³Σ	C_∞v
428	LiN	Lithium Nitride	¹Σ	C_∞v
429	LiN⁺	Lithium Nitride cation	⁴Σ	C_∞v
430	LiN⁺	Lithium Nitride cation	²Π	C_∞v
431	LiP	Lithium monophosphide
432	LiP	Lithium monophosphide
433	BeN	Beryllium mononitride	⁴Σ	C_∞v
434	BeN	Beryllium mononitride	²Π	C_∞v
435	BeN^-	Beryllium mononitride anion	¹Σ	C_∞v
436	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
437	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
438	MgN	Magnesium Nitride
439	MgN	Magnesium Nitride
440	BN^-	boron nitride anion	²Σ	C_∞v
441	AlN^-	aluminum mononitride anion	²Σ	C_∞v
442	AlN⁺	aluminum mononitride cation	²Π	C_∞v
443	AlP	Aluminum monophosphide	³Σ	C_∞v
444	AlP	Aluminum monophosphide	³Π	C_∞v
445	GaN	Gallium mononitride	³Π	C_∞v
446	GaN	Gallium mononitride	¹Σ	C_∞v
447	GaAs	Gallium arsenide	³Π
448	GaAs	Gallium arsenide	¹Σ
449	BN	boron nitride	³Π	C_∞v
450	BN	boron nitride	¹Σ	C_∞v
451	BN⁺	boron nitride cation	²Π	C_∞v
452	AlN	Aluminum nitride	³Π_i	C_∞v
453	AlN	Aluminum nitride	¹Σ	C_∞v
454	CN	Cyano radical	²Σ	C_∞v
455	CN^-	cyanide anion	¹Σ	C_∞v
456	CN⁺	Cyano cation	¹Σ	C_∞v
457	CP	Carbon monophosphide	²Σ	C_∞v
458	CP^-	carbon monophosphide anion	¹Σ	C_∞v
459	CP⁺	carbon monophosphide cation	³Σ	C_∞v
460	CP⁺	carbon monophosphide cation	¹Σ	C_∞v
461	SiN	Silicon nitride	²Σ	C_∞v
462	SiN^-	silicon mononitride anion	¹Σ	C_∞v
463	SiN⁺	silicon mononitride cation	³Π	C_∞v
464	SiP	Silicon monophosphide	²Π	C_∞v
465	SiP^-	Silicon monophosphide anion	¹Σ	C_∞v
466	SiP⁺	Silicon monophosphide cation	³Σ	C_∞v
467	SiP⁺	Silicon monophosphide cation	¹Σ	C_∞v
468	TiN	Titanium mononitride	²Σ	C_∞v
469	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
470	N₂	Nitrogen diatomic
471	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
472	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
473	PN	Phosphorus mononitride	¹Σ	C_∞v
474	PN^-	phosphorus nitride anion	²Π	C_∞v
475	PN⁺	phosphorus nitride cation	²Π	C_∞v
476	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
477	P₂^-	phosphorus diatomic anion	²Π_g	D_∞h
478	P₂⁺	phosphorus diatomic cation	²Π_U	D_∞h
479	AsN	Arsenic mononitride	¹Σ	C_∞v
480	AsP	Arsenic monophosphide	¹Σ	C_∞v
481	As₂	Arsenic diatomic	¹Σ_g	D_∞h
482	HNB	hydrogen nitrogen boron	²Σ	C_∞v
483	HNC	hydrogen isocyanide	¹Σ	C_∞v
484	HCN	Hydrogen cyanide	¹Σ	C_∞v
485	HCN^-	Hydrogen cyanide anion	²A^'	C_s
486	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
487	HNC⁺	hydrogen isocyanide cation
488	HCP	Phosphaethyne	¹Σ	C_∞v
489	HCP⁺	Phosphaethyne cation
490	NNH	Dinitrogen monohydride	²A^'	C_s
491	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
492	HPO	Hydrogen phosphorus oxide	¹A^'	C_s
493	HPO⁺	Hydrogen phosphorus oxide cation	²A^'	C_s
494	LiNH₂	lithium amide
495	HBNH	Boranimine	¹Σ	C_∞v
496	CNH₂	Aminomethylidyne radical	²B₂	C_2v
497	CNH₂⁺	N-protonated hydrogen isocyanide	¹A₁	C_2v
498	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
499	H₂CN⁺	hydrocyanonium cation	¹A₁	C_2v
500	HCNH	methyleneazane	²A^'	CS cis
501	HCNH	methyleneazane	²A^'	CS trans
502	HCNH⁺	N-protonated HCN	¹Σ	C_∞v
503	H₂NN	Isodiazene
504	N₂H₂	(E)-diazene	¹A_g	C_2h
505	N₂H₂	(Z)-Diazene	¹A₁	C_2v
506	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
507	CH₂NH	Methanimine	¹A^'	C_s
508	CH₂NH⁺	Methanimine cation
509	CHNH₂	aminomethylene
510	CHNH₂⁺	Aminocarbene cation
511	CH₂PH	Phosphaethene	¹A^'	C_s
512	BH₂NH₂	Boranamine
513	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
514	N₂H₄	Hydrazine	¹A	C₂
515	N₂H₄⁺	hydrazine cation	²A_G	C_2h
516	P₂H₄	Diphosphine	¹A	C₂
517	CH₃NH₂	methyl amine	¹A^'	C_s
518	CH₃PH₂	Methyl phosphine	¹A^'	C_s
519	SiH₃NH₂	Silane, amino
520	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
521	BH₃PH₃	borane phosphine
522	BH₃NH₃	borane ammonia	¹A₁	C_3v
523	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
524	CH₃NH₃⁺	protonated methylamine	¹A₁	C_3v
525	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
526	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
527	N₂H₇⁺	ammonia ammonium dimer
528	LiO	lithium oxide	²Σ	C_∞v
529	LiO^-	lithium oxide anion	¹Σ	C_∞v
530	LiO^-	lithium oxide anion	³Σ	C_∞v
531	LiO⁺	lithium oxide cation	³Σ	C_∞v
532	LiO⁺	lithium oxide cation	¹Σ	C_∞v
533	LiS	Lithium monosulfide	²Π	C_∞v
534	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
535	NaO	sodium monoxide	²Σ	C_∞v
536	NaO^-	sodium oxide anion	¹Σ	C_∞v
537	NaO⁺	sodium oxide cation	³Σ	C_∞v
538	NaS	Sodium sulfide	²Π	C_∞v
539	CuO	Copper Monoxide	²Π	C_∞v
540	LiSe	Lithium monoselenide
541	BeO	beryllium oxide	¹Σ	C_∞v
542	BeO^-	Beryllium monoxide anion	²Σ	C_∞v
543	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
544	BeS	beryllium sulfide	¹Σ	C_∞v
545	MgO	magnesium oxide	¹Σ⁺	C_∞v
546	MgO^-	magnesium oxide anion	²Σ	C_∞v
547	MgO⁺	magnesium oxide cation	²Π	C_∞v
548	CaO	Calcium monoxide	¹Σ	C_∞v
549	MgS	magnesium sulfide	¹Σ	C_∞v
550	MgS^-	magnesium sulfide anion	²Σ	C_∞v
551	MgS⁺	magnesium sulfide cation	²Π	C_∞v
552	CaS	Calcium sulfide	¹Σ	C_∞v
553	ZnO	zinc monoxide	¹Σ	C_∞v
554	ZnS	Zinc sulfide	¹Σ⁺	C_∞v
555	ZnS	Zinc sulfide	³Π	C_∞v
556	BeS^-	Beryllium monosulfide anion	²Σ	C_∞v
557	BeS⁺	Beryllium monosulfide cation	²Π	C_∞v
558	BO	boron monoxide	²Σ	C_∞v
559	BO^-	boron monoxide anion	¹Σ	C_∞v
560	AlO	Aluminum monoxide	²Σ	C_∞v
561	AlO^-	Aluminum monoxide anion	¹Σ	C_∞v
562	AlO⁺	aluminum monoxide cation	¹Σ	C_∞v
563	BS	boron sulfide	²Σ	C_∞v
564	BS^-	boron monosulfide anion	¹Σ	C_∞v
565	BS⁺	boron monosulfide cation	¹Σ	C_∞v
566	AlS	Aluminum sulfide	²Σ	C_∞v
567	AlS^-	aluminum monosulfide anion	¹Σ	C_∞v
568	AlS⁺	aluminum monosulfide cation	¹Σ	C_∞v
569	ScO	Scandium monoxide	²Σ	C_∞v
570	GaO	Gallium monoxide	²Σ	C_∞v
571	GaS	Gallium monosulfide
572	BO⁺	boron monoxide cation	¹Σ	C_∞v
573	CO	Carbon monoxide	¹Σ	C_∞v
574	CO	Carbon monoxide	³Π	C_∞v
575	CO^-	carbon monoxide anion	²Π	C_∞v
576	CO⁺	carbon monoxide cation	²Σ	C_∞v
577	CS	carbon monosulfide	¹Σ	C_∞v
578	CS^-	carbon monosulfide anion	²Π	C_∞v
579	CS⁺	carbon monosulfide cation	²Σ	C_∞v
580	SiO	Silicon monoxide	¹Σ	C_∞v
581	SiO^-	silicon monoxide anion	²Π	C_∞v
582	SiO⁺	silicon monoxide cation	²Σ	C_∞v
583	SiS	silicon monosulfide	¹Σ	C_∞v
584	SiS^-	silicon monosulfide anion	²Π	C_∞v
585	SiS⁺	silicon monosulfide cation	²Σ	C_∞v
586	TiO	Titanium monoxide	³Δ	C_∞v
587	CSe	Carbon monoselenide	¹Σ	C_∞v
588	CSe^-	Carbon monoselenide anion	²Π	C_∞v
589	CSe⁺	Carbon monoselenide cation	²Σ	C_∞v
590	GeO	Germanium monoxide	¹Σ	C_∞v
591	SiSe	Silicon Monoselenide
592	SiSe⁺	Silicon Monoselenide cation
593	GeSe	Germanium monoselenide
594	NO	Nitric oxide	²Π	C_∞v
595	NO^-	nitric oxide anion	³Σ	C_∞v
596	NO^-	nitric oxide anion	¹Δ	C_∞v
597	NO⁺	nitric oxide cation	¹Σ	C_∞v
598	NS	Mononitrogen monosulfide	²Π	C_∞v
599	NS^-	nitrogen sulfide anion	³Σ	C_∞v
600	NS^-	nitrogen sulfide anion	¹Σ	C_∞v
601	NS⁺	nitrogen sulfide cation	¹Σ	C_∞v
602	PO	Phosphorus monoxide	²Π	C_∞v
603	PO^-	phosphorus monoxide anion	³Σ	C_∞v
604	PO⁺	phosphorus monoxide cation	¹Σ	C_∞v
605	PS	phosphorus sulfide	²Σ	C_∞v
606	PS^-	phosphorus monosulfide anion	³Σ	C_∞v
607	PS^-	phosphorus monosulfide anion	¹Σ	C_∞v
608	PS⁺	phosphorus monosulfide cation	¹Σ	C_∞v
609	VO	Vanadium monoxide	⁴Σ^-
610	AsO	Arsenic monoxide	²Π	C_∞v
611	NSe	Nitrogen monoselenide	²Π	C_∞v
612	AsS	Arsenic monosulfide	²Π	C_∞v
613	PSe	Phosphorus monoselenide	²Π	C_∞v
614	AsSe	Arsenic monoselenide	²Π	C_∞v
615	O₂	Oxygen diatomic	³Σ_g	D_∞h
616	O₂	Oxygen diatomic	¹Δ_g	D_∞h
617	O₂	Oxygen diatomic	¹Σ_u^-	D_∞h
618	O₂^-	oxygen diatomic anion	²Π	D_∞h
619	O₂^--	dioxygen dianion
620	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
621	SO	Sulfur monoxide	³Σ	C_∞v
622	SO	Sulfur monoxide	¹Σ	C_∞v
623	SO^-	sulfur monoxide anion	²Π	C_∞v
624	SO⁺	sulfur monoxide cation	²Π	C_∞v
625	S₂	Sulfur diatomic	³Σ_g	D_∞h
626	S₂	Sulfur diatomic	¹Σ	D_∞h
627	S₂^-	sulfur diatomic anion	²Π	D_∞h
628	S₂⁺	sulfur diatomic cation	²Π	D_∞h
629	SeO	Selenium monoxide	³Σ	C_∞v
630	SeO	Selenium monoxide	¹?	C_∞v
631	SeO^-	selenium monoxide anion	²Π	C_∞v
632	SeO⁺	selenium monoxide cation	²Π	C_∞v
633	SeS	Selenium monosulfide	³Σ	C_∞v
634	SeS^-	selenium monosulfide anion	²Π	C_∞v
635	SeS⁺	selenium monosulfide cation	²Π	C_∞v
636	Se₂	Selenium diatomic	³Σ_g	D_∞h
637	Se₂	Selenium diatomic	¹Σ_g⁺	D_∞h
638	Se₂^-	selenium diatomic anion	²Π	D_∞h
639	Se₂⁺	selenium diatomic cation	²Π_g	D_∞h
640	LiOH	lithium hydroxide	¹Σ	C_∞v
641	NaOH	sodium hydroxide	¹Σ	C_∞v
642	BeOH	beryllium monohydroxide	²A^'	C_s
643	BeOH	beryllium monohydroxide	²Σ	C_∞v
644	MgOH	magnesium hydroxide	²A^'	C_s
645	CaOH	Calcium monohydroxide	²Σ⁺	C_∞v
646	HBO	Boron hydride oxide	¹Σ	C_∞v
647	HBS	hydrogen boron sulfide	¹Σ	C_∞v
648	COH	Hydroxymethylidyne
649	HCO	Formyl radical	²A^'	C_s
650	HCO^-	formyl anion	¹A^'	C_s
651	HCO⁺	Formyl cation	¹Σ	C_∞v
652	HCS	Thioformyl radical	²A^'	C_s
653	HCS	Thioformyl radical	²Π	C_∞v
654	HCS^-	Thioformyl anion	¹A^'	C_s
655	HCS^-	Thioformyl anion	³A^"	C_s
656	HCS⁺	Thioformyl cation	¹Σ	C_∞v
657	HNO	Nitrosyl hydride	¹A^'	C_s
658	HNO^-	Nitrosyl hydride anion	²A^"	C_s
659	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
660	HNS	Sulfur imide	¹A^'	C_s
661	HNS^-	Sulfur imide anion	²A	C_s
662	HO₂	Hydroperoxy radical	²A^"	C_s
663	HO₂	Hydroperoxy radical	²Π	C_∞v
664	HO₂^-	Hydroperoxy anion	¹A^'	C_s
665	HO₂⁺	Hydroperoxy cation	³A^"	C_s
666	HO₂⁺	Hydroperoxy cation	³Σ	C_∞v
667	HO₂⁺	Hydroperoxy cation	¹A^'	C_s
668	HSO⁺	Sulfur Monoxide, S-protonated
669	SOH	Sulfur Hydroxide
670	SOH⁺	Sulfur Monoxide, protonated
671	HS₂	Thiosulfeno radical	²A^"	C_s
672	H₂CO	Formaldehyde	¹A₁	C_2v
673	H₂CO^-	formaldehyde anion	²A^'	C_s
674	H₂CO^-	formaldehyde anion
675	H₂CO⁺	formaldehyde cation	²B₂	C_2v
676	HOCH	hydroxycarbene	¹A^'	CS trans
677	HOCH	hydroxycarbene	¹A^'	CS cis
678	H₂CS	Thioformaldehyde	¹A₁	C_2v
679	H₂CS^-	thioformaldehyde anion
680	H₂CS^-	thioformaldehyde anion
681	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
682	H₂CSe	Selenoformaldehyde
683	H₂O₂	Hydrogen peroxide	¹A	C₂
684	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
685	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
686	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
687	H₂OO	water oxide
688	HOSH	hydrogen thioperoxide
689	H₂S₂	Disulfane	¹A	C₂
690	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
691	H₂Se₂	hydrogen diselenide
692	CH₂OH	Hydroxymethyl radical	²A	C₁
693	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
694	CH₃O	Methoxy radical	²A^'	C₁
695	CH₃O^-	methoxy anion	¹A₁	C_3v
696	CH₃S	thiomethoxy	²A^'	C_3v
697	NH₂OH	hydroxylamine	¹A^'	C_s
698	NH₂OH⁺	Hydroxylamine cation
699	NH₃O	Ammonia Oxide	¹A₁	C_3v
700	H₂POH	Phosphinous acid	¹A₁^'	CS trans
701	H₂POH	Phosphinous acid	¹A₁^'	CS cis
702	H₃PO	Phosphine oxide	¹A₁	C_3v
703	NH₂SH	Thiohydroxylamine
704	NH₂SH	Thiohydroxylamine
705	NH₃S	sulfidoazane
706	H₃O₂⁺	hydrogen peroxide, protonated	¹A^'	C_s
707	CH₃OH	Methyl alcohol	¹A^'	C_s
708	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
709	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
710	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
711	CH₃OH⁺	Methyl alcohol cation	²A	C₁
712	CH₃SH	Methanethiol	¹A^'	C_s
713	SiH₃OH	silanol
714	CH₃SeH	Methane selenol	¹A^'	C_s
715	NH₂OH₂⁺	protonated hydroxylamine
716	NH₃OH⁺	N-protonated hydroxylamine
717	H₂OH₂O	water dimer	¹A^'	C_s
718	CH₃OH₂⁺	Methanol, protonated	¹A^'	C_s
719	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
720	H₂ONH₃	Water Ammonia Dimer	¹A^'	C₁
721	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
722	LiF	lithium fluoride	¹Σ	C_∞v
723	LiCl	lithium chloride	¹Σ	C_∞v
724	LiCl^-	lithium chloride anion	²Σ	C_∞v
725	LiCl⁺	lithium chloride cation	²Π	C_∞v
726	NaF	sodium fluoride	¹Σ	C_∞v
727	NaF^-	sodium fluoride anion	²Σ	C_∞v
728	NaF⁺	sodium fluoride cation	²Σ	C_∞v
729	NaCl	Sodium Chloride	¹Σ	C_∞v
730	NaCl^-	sodium chloride anion	²Σ	C_∞v
731	NaCl⁺	sodium chloride cation	²Π	C_∞v
732	CuF	Copper monofluoride	¹Σ	C_∞v
733	LiBr	Lithium Bromide	¹Σ	C_∞v
734	LiBr^-	lithium bromide anion	²Σ	C_∞v
735	LiBr⁺	lithium bromide cation	²Π	C_∞v
736	CuCl	Copper monochloride	¹Σ	C_∞v
737	NaBr	Sodium Bromide	¹Σ	C_∞v
738	NaBr^-	sodium bromide anion	²Σ	C_∞v
739	NaBr⁺	sodium bromide cation	²Π	C_∞v
740	LiF^-	lithium fluoride anion	²Σ	C_∞v
741	LiF⁺	lithium fluoride cation	²Π	C_∞v
742	BeF	Beryllium monofluoride	²Σ	C_∞v
743	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
744	BeF⁺	Beryllium monofluoride cation	¹Σ	C_∞v
745	BeCl	beryllium monochloride	²Σ	C_∞v
746	MgF	Magnesium monofluoride	²Σ	C_∞v
747	MgF^-	magnesium fluoride anion	¹Σ	C_∞v
748	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
749	CaF	Calcium monofluoride	²Σ	C_∞v
750	MgCl	magnesium monochloride	²Σ	C_∞v
751	MgCl^-	magnesium monochloride anion	¹Σ	C_∞v
752	MgCl⁺	magnesium monochloride cation	¹Σ	C_∞v
753	CaCl	calcium monochloride	²Σ	C_∞v
754	ZnF	Zinc monofluoride	²Σ	C_∞v
755	ZnF^-	Zinc monofluoride anion	¹Σ	C_∞v
756	ZnCl	Zinc monochloride	²Σ	C_∞v
757	CaBr	Calcium monobromide
758	BeCl^-	beryllium monochloride anion	¹Σ	C_∞v
759	BeCl⁺	beryllium monochloride cation	¹Σ	C_∞v
760	BF	Boron monofluoride	¹Σ	C_∞v
761	BF^-	Boron monofluoride anion	²Π	C_∞v
762	BF⁺	Boron monofluoride cation	²Σ	C_∞v
763	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
764	AlF^-	Aluminum monofluoride anion	²Π	C_∞v
765	AlF⁺	Aluminum monofluoride cation	²Σ	C_∞v
766	BCl	boron monochloride	¹Σ	C_∞v
767	BCl^-	boron monochloride anion	²Π	C_∞v
768	BCl⁺	boron monochloride cation	²Σ	C_∞v
769	AlCl	Aluminum monochloride	¹Σ	C_∞v
770	AlCl^-	aluminum monochloride anion	²Π	C_∞v
771	AlCl⁺	aluminum monochloride cation	²Σ	C_∞v
772	ScF	Scandium monofluoride	¹Σ	C_∞v
773	ScF	Scandium monofluoride	³Δ	C_∞v
774	BBr	Boron monobromide	¹Σ	C_∞v
775	GaF	Gallium monofluoride	¹Σ	C_∞v
776	AlBr	Aluminum monobromide
777	GaCl	Gallium monochloride	¹Σ_G	C_∞v
778	GaBr	Gallium monobromide
779	CF	Fluoromethylidyne	²Π	C_∞v
780	CF^-	carbon monofluoride anion	³Σ	C_∞v
781	CF^-	carbon monofluoride anion	¹Σ	C_∞v
782	CF⁺	carbon monofluoride cation	¹Σ	C_∞v
783	CCl	carbon monochloride	²Π	C_∞v
784	CCl^-	carbon monochloride anion	³Σ	C_∞v
785	CCl⁺	carbon monochloride cation	¹Σ	C_∞v
786	SiF	silicon monofluoride	²Π	C_∞v
787	SiF^-	silicon monofluoride anion	³Σ	C_∞v
788	SiF^-	silicon monofluoride anion	¹Σ	C_∞v
789	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
790	SiCl	Clorosilylidyne	²Π	C_∞v
791	SiCl^-	silicon monochloride anion	³Σ	C_∞v
792	SiCl⁺	silicon monochloride cation	¹Σ	C_∞v
793	CBr	Carbon monobromide	²Π	C_∞v
794	GeF	Germanium monofluoride	²Π	C_∞v
795	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
796	GeCl	Germanium monochloride	²Π	C_∞v
797	GeCl⁺	Germanium monochloride cation
798	SiBr	Silicon monobromide	²Π	C_∞v
799	SiBr⁺	Silicon monobromide cation
800	NF	nitrogen fluoride	³Σ	C_∞v
801	NF	nitrogen fluoride	¹Σ	C_∞v
802	NF^-	nitrogen monofluorine anion	²Π	C_∞v
803	NF⁺	nitrogen monofluoirde cation	²Π	C_∞v
804	NCl	nitrogen monochloride	³Σ	C_∞v
805	NCl	nitrogen monochloride	¹Σ	C_∞v
806	NCl^-	nitrogen monochloride anion	²Π	C_∞v
807	NCl⁺	nitrogen monochloride cation	²Π	C_∞v
808	PF	phosphorus monofluoride	³Σ	C_∞v
809	PF	phosphorus monofluoride	¹Δ	C_∞v
810	PF	phosphorus monofluoride	¹Σ	C_∞v
811	PF^-	phosphorus monofluoride anion	²Π	C_∞v
812	PF⁺	phosphorus monofluoride cation	²Π	C_∞v
813	PCl	phosphorus chloride	³Σ	C_∞v
814	PCl	phosphorus chloride	¹Σ	C_∞v
815	PCl^-	phosphorus monochloride anion	²Π	C_∞v
816	PCl⁺	phosphorus monochloride cation	²Π	C_∞v
817	AsF	Arsenic monofluoride	³Σ	C_∞v
818	AsF	Arsenic monofluoride	¹Δ	C_∞v
819	AsF	Arsenic monofluoride	¹Σ	C_∞v
820	NBr	nitrogen monobromide	³Σ^-	C_∞v
821	AsCl	Arsenic monochloride	³Σ	C_∞v
822	PBr	Phosphorus monobromide
823	FO	Oxygen monofluoride	²Π	C_∞v
824	FO^-	flourine oxide anion	¹Σ	C_∞v
825	FO⁺	fluorine monoxide cation	³Σ	C_∞v
826	ClO	Monochlorine monoxide	²Π	C_∞v
827	ClO^-	chlorine monoxide anion	¹Σ	C_∞v
828	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
829	ClO⁺	chlorine monoxide cation	¹Σ	C_∞v
830	SF	Monosulfur monofluoride	²Π	C_∞v
831	SF^-	sulfur monofluoride anion	¹Σ	C_∞v
832	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
833	SF⁺	sulfur monofluoride cation	¹Σ	C_∞v
834	SCl	sulfur monochloride	²Π	C_∞v
835	SCl^-	sulfur monochloride anion	¹Σ	C_∞v
836	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
837	SCl⁺	sulfur monochloride cation	¹Σ	C_∞v
838	BrO	Bromine monoxide	²Π	C_∞v
839	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
840	BrO⁺	Bromine monoxide cation
841	SeF	Selenium monofluoride	²Π	C_∞v
842	SBr	Sulfur monobromide radical
843	SBr⁺	Sulfur monobromide cation
844	SeCl	Selenium monochloride	²Π	C_∞v
845	SeBr	Selenium monobromide
846	BrCl	Bromine monochloride	¹Σ	C_∞v
847	F₂	Fluorine diatomic	¹Σ_g	D_∞h
848	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
849	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
850	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
851	ClF^-	clorine monofluoride anion	²Σ	C_∞v
852	ClF⁺	clorine monofluoride cation	²Π	C_∞v
853	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
854	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
855	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
856	BrF	Bromine monofluoride	¹Σ	C_∞v
857	BrF^-	bromine fluoride anion	²Σ	C_∞v
858	BrF⁺	bromine fluoride cation	²Π	C_∞v
859	BrCl^-	bromine chloride anion	²Σ	C_∞v
860	BrCl⁺	bromine chloride cation	²Π	C_∞v
861	Br₂	Bromine diatomic	¹Σ_g	D_∞h
862	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
863	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
864	HCF	Fluoromethylene	¹A^'	C_s
865	HCF	Fluoromethylene	³A^"	C_s
866	HCCl	Chloromethylene	¹A^'	C_s
867	HCCl	Chloromethylene	³A^"	C_s
868	HCCl	Chloromethylene	³Σ	C_∞v
869	HSiF	fluorosilylene
870	HSiCl	Chlorosilylene
871	HSiBr	monobromosilylene
872	CHBr	bromomethylene	¹A^'	C_s
873	CHBr	bromomethylene	³A^"	C_s
874	HOF	Hypofluorous acid	¹A^'	C_s
875	DOCl	Hypochlorous acid-d	¹A^'	C_s
876	HOCl	hypochlorous acid	¹A^'	C_s
877	HOCl⁺	hypochlorous acid cation
878	HOBr	Hypobromous acid	¹A^'	C_s
879	HOBr⁺	Hypobromous acid cation	²A^"	C_s
880	F₂H⁺	Fluorine, protonated	¹A^'	C_s
881	FHF	Hydrogen difluoride	²Π	D_∞h
882	FHF^-	Hydrogen difluoride anion	¹Σ_g	D_∞h
883	ClFH⁺	Chlorine fluoride, F-protonated
884	FClH⁺	Chlorine fluoride, Cl-protonated
885	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
886	CH₂Br	bromomethyl radical	²A^'	C_s
887	CH₂Br	bromomethyl radical
888	CH₂F	fluoromethyl radical	²A	C_s
889	CH₂F⁺	fluoromethyl cation
890	CH₂Cl⁺	chloromethyl cation
891	CH₂Cl	chloromethyl radical	²A^'	C_s
892	CH₂Cl	chloromethyl radical	²B₁	C_2v
893	NH₂F	monofluoroamine	¹A^'	C_s
894	NH₂Cl	chloramine	¹A^'	C_s
895	H₂F₂	Hydrogen fluoride dimer	¹A_g	C_s
896	CH₃F⁺	methyl fluoride cation
897	CD₃F	methylfluoride-d3	¹A₁	C_3v
898	CH₃F	Methyl fluoride	¹A₁	C_3v
899	CD₃Cl	methyl chloride d3	¹A₁	C_3v
900	CH₃Cl	Methyl chloride	¹A₁	C_3v
901	CH₃Cl⁺	Methyl chloride cation
902	SiH₃F	monofluorosilane	¹A₁	C_3v
903	SiH₃Cl	chlorosilane	¹A₁	C₁
904	CH₃Br	methyl bromide	¹A₁	C_3v
905	GeH₃F	monofluorogermane
906	GeH₃Cl	monochlorogermane
907	SiH₃Br	bromosilane	¹A₁	C_3v
908	NH₃Cl⁺	protonated monochloroammonia
909	CH₃ClH⁺	methyl chloride, protonated
910	NH₄Cl	Ammonium chloride
911	LiNe⁺	Lithium Neon cation
912	Ne₂	Neon diatomic	¹Σ_g	D_∞h
913	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
914	Ar₂	Argon diatomic	¹S_g	D_∞h
915	Li₃	Lithium trimer	²B₂	C_2v
916	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
917	C₃	carbon trimer	¹Σ_g	D_∞h
918	C₃	carbon trimer	¹A₁	C_2v
919	C₃⁺	carbon trimer cation	²Σ_u	D_∞h
920	C₃⁺	carbon trimer cation	²B₂	C_2v
921	SiC₂	Silicon dicarbide
922	C₃H₃	Propargyl radical	²B₁	C_s
923	C₃H₃^-	Propargyl anion	¹A^'	C_s
924	C₃H₃^-	Propargyl anion	¹A₁	C_2v
925	C₃H₃⁺	cyclopropenyl cation	¹A₁	D_3h
926	C₃H₃⁺	Propargyl cation	¹A₁	C_2v
927	C₃H₄	cyclopropene	¹A₁	C_2v
928	CH₂CCH₂	allene	¹A₁	D_2d
929	CH₃CCH	propyne	¹A^'	C_3v
930	C₃H₅	Allyl radical	²A₂	C_2v
931	C₃H₅	Allyl radical	²A^"	C_s
932	C₃H₅⁺	Allyl cation	¹A₁	C_2v
933	CH₃CHCH	1-propenyl radical	²A^'	C_s
934	Zn(CH₃)₂	dimethyl zinc	¹A₁^'	D_3h
935	Zn(CH₃)₂	dimethyl zinc	¹A_1G	D_3d
936	Zn(CH₃)₂	dimethyl zinc	¹A₁	C_2v
937	C₃H₆	Cyclopropane	¹A₁^'	D_3h
938	CH₂CHCH₃	Propene	¹A^'	C_s
939	C₃H₇	n-Propyl radical	²A^"	C₁
940	C₃H₇⁺	cyclopropane, protonated
941	CH₃CHCH₃	Isopropyl radical	²A	C₂
942	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
943	C₃H₈	Propane	¹A₁	C_2v
944	SiH₂(CH₃)₂	dimethylsilane	¹A₁	C_2v
945	Si₃H₈	trisilane
946	LiCN	lithium cyanide	¹Σ	C*V LiCN
947	LiCN	lithium cyanide	¹A^'	C_s
948	LiCN	lithium cyanide	¹Σ	C*V LiNC
949	NaCN	Sodium Cyanide	¹Σ	C_∞v
950	NaCN	Sodium Cyanide	¹A	C_s
951	NaCN	Sodium Cyanide	¹Σ	C_∞v
952	CuCN	Copper cyanide	¹Σ	C_∞v
953	CuCN	Copper cyanide	³Π	C_s
954	ZnCN	Zinc monocyanide	²Σ	C_∞v
955	ZnNC	Zinc isocyanide	²Σ	C_∞v
956	AlCN	Aluminum monocyanide
957	AlNC	Aluminum isocyanide
958	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
959	CNN	Diazocarbene
960	NCN	Cyanoimidogen	³Σ_g	D_∞h
961	NCN	Cyanoimidogen	¹Σ_g	D_∞h
962	N₃	azide radical	²Π_g	D_∞h
963	N₃^-	azide anion	¹Σ_G	D_∞h
964	N₃⁺	azide cation	³Σ	C_∞v
965	HCCN	cyanomethylene	³A^"	C_s
966	HCCN	cyanomethylene	³Σ	C_∞v
967	HN₃	hydrogen azide	¹A^'	C_s
968	HN₃⁺	Hydrazoic acid cation
969	HNCNH	diiminomethane	¹A	C₂
970	CH₂N₂	diazirine	¹A₁	C_2v
971	CH₂NN	diazomethane	¹A₁	C_2v
972	NH₂CN	cyanamide	¹A^'	C_s
973	NH₂CN	cyanamide	¹A₁	C_2v
974	HNNNH⁺	1,2-Triazadienium
975	NH₂NN⁺	hydrazoic acid, protonated
976	CH₃CN	Acetonitrile	¹A₁	C_3v
977	CH₃CN^-	acetonitrile anion	²E	C_3v
978	CH₃CN^-	acetonitrile anion	²A^'	C_s
979	CH₃CN⁺	Acetonitrile cation	²E	C_3v
980	CH₃CN⁺	Acetonitrile cation	²A^"	C_s
981	CH₃NC	methyl isocyanide	¹A₁	C_3v
982	CHNCH₂	2H-Azirine
983	CHNHCH	1H-Azirine
984	H₂CCNH	Ethenimine
985	H₂CNCH	methyleneaminomethylene
986	HCCNH₂	Ethynamine
987	HCNCH₂⁺	2H-Azirine cation
988	NH₂CNH⁺	cyanamide, cn protonated
989	NH₃CN⁺	cyanamide, amine protonated
990	CH₂CHNH	vinylazine	²A^"	CS cis
991	CH₂CHNH	vinylazine	²A^"	CS trans
992	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
993	NHCHNH₂	aminomethanimine	¹A	C₁
994	C₂H₅N	Aziridine	¹A^'	C₁
995	CH₂CHNH₂	aminoethene	¹A	C₁
996	CH₂NCH₃	N-methylmethanimine	¹A^'	C_s
997	CH₃CHNH	ethanimine	¹A^'	CS NH up
998	CH₃CHNH	ethanimine	¹A^'	CS NH down
999	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
1000	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
1001	NH₂CH₂NH₂	diaminomethane	¹A	C₂
1002	CH₃CH₂NH₂	Ethylamine	¹A^'	C_s
1003	CH₃CH₂NH₂	Ethylamine
1004	CH₃NHCH₃	Dimethylamine	¹A^'	C_s
1005	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
1006	Li₂O	dilithium oxide	¹Σ_g	D_∞h
1007	Li₂O⁺	dilithium oxide cation	²Π	D_∞h
1008	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
1009	Li₂S	dilithium sulfide	¹A₁	C_2v
1010	Na₂O	disodium monoxide	¹Σ_g	Linear
1011	Na₂O	disodium monoxide	¹A₁	C_2v
1012	Na₂S	Sodium sulfide
1013	Na₂S	Sodium sulfide
1014	LiO₂	Lithium dioxide
1015	NaO₂	Sodium superoxide
1016	CCO	Dicarbon monoxide	³Σ	C_∞v
1017	CCO	Dicarbon monoxide	¹Π	C_∞v
1018	CNO^-	fulminate	¹Σ	C_∞v
1019	NCO	isocyanato radical	²Π	C_∞v
1020	NCO^-	cyanate	¹Σ	C_∞v
1021	SCN	thiocyanato radical	²Π	C_∞v
1022	SCN^-	thiocyanide anion	¹Σ	C_∞v
1023	BO₂	Boron dioxide	²A^'	D_∞h
1024	BO₂^-	Boron dioxide anion	¹Σ_g	D_∞h
1025	BO₂⁺	Boron dioxide cation	³Σ_g	D_∞h
1026	BO₂⁺	Boron dioxide cation	¹Π_g	D_∞h
1027	N₂O	Nitrous oxide	¹Σ	C_∞v
1028	N₂O^-	Nitrous oxide anion	²A^'	C_s
1029	N₂O⁺	Nitrous oxide cation	²Π	C_∞v
1030	NNS	Nitrogen sulfide	¹Σ	C_∞v
1031	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
1032	CO₂	Carbon dioxide	¹Σ_g	D_∞h
1033	CO₂^-	Carbon dioxide anion	²A₁	C_2v
1034	CO₂^-	Carbon dioxide anion	²Π_u	D_∞h
1035	CO₂⁺	Carbon dioxide cation	²Π_g	D_∞h
1036	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
1037	OCS	Carbonyl sulfide	¹Σ	C_∞v
1038	OCS⁺	Carbonyl sulfide cation	²Π	C_∞v
1039	SiO₂	silicon dioxide	¹Σ_g	D_∞h
1040	CS₂	Carbon disulfide	¹Σ_g	D_∞h
1041	CS₂^-	Carbon disulfide anion	²A₁	C_2v
1042	CS₂⁺	Carbon disulfide cation	²Π	D_∞h
1043	TiO₂	Titanium dioxide	¹A₁	C_2v
1044	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
1045	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
1046	OCSe	Carbonyl selenide	¹Σ	C_∞v
1047	SCSe	Carbon sulfide selenide
1048	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
1049	CSe₂	Carbon diselenide	¹A₁	D_∞h
1050	NO₂	Nitrogen dioxide	²A₁	C_2v
1051	NO₂^-	Nitrogen dioxide anion	¹A₁	C_2v
1052	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
1053	NSO	sulfinyl amidogen
1054	PO₂	Phosphorus dioxide	²A₁	C_2v
1055	PO₂^-	Phosphorus dioxide anion	¹A₁	C_2v
1056	PO₂⁺	Phosphorus dioxide cation	¹Σ_G	D_∞h
1057	SNO	Nitrogen oxide sulfide
1058	AsO₂	Aresenic dioxide	²A₁	C_2v
1059	O₃	Ozone	¹A₁	C_s
1060	O₃^-	Ozone anion	²B₁	C_2v
1061	O₃^-	Ozone anion		C_s
1062	O₃⁺	Ozone cation	²A₁	C_2v
1063	SO₂	Sulfur dioxide	¹A₁	C_2v
1064	SO₂^-	Sulfur dioxide anion	²B₁	C_2v
1065	SO₂⁺	Sulfur dioxide cation	²A₁	C_2v
1066	SSO	Disulfur monoxide	¹A^'	C_s
1067	S₃	Sulfur trimer	¹A₁	C_2v
1068	S₃	Sulfur trimer
1069	S₃^-	Sulfur trimer anion	²B₁	C_2v
1070	S₃⁺	Sulfur trimer cation	²B₂	C_2v
1071	SeO₂	Selenium dioxide	¹A₁	C_2v
1072	HCCO	ketenyl radical	²Π	C_∞v
1073	HCCO	ketenyl radical	²A^"	C_s
1074	HCNO	fulminic acid	¹Σ	C_∞v
1075	HCNO	fulminic acid	¹A^'	C_s
1076	HNCO	Isocyanic acid	¹A^'	C_s
1077	HOCN	cyanic acid	¹A^'	C_s
1078	HNCS	Isothiocyanic acid
1079	HNCS	Isothiocyanic acid
1080	HSCN	thiocyanic acid	¹A^'	C_s
1081	HCO₂^-	formate anion	¹A₁	C_2v
1082	HCOO	formate neutral radical	²A^'	C_s
1083	HOCO	Hydrocarboxyl radical	¹A^'	cis
1084	HOCO	Hydrocarboxyl radical	¹A^'	trans
1085	HOCO⁺	Hydrocarboxyl cation	¹A^'	C_s
1086	HNO₂	Nitrous acid	¹A^'	C_s
1087	HNO₂⁺	nitrous acid cation	²A^'	C_s
1088	O₃H⁺	protonated ozone	¹A^'	C_s
1089	O₃H⁺	protonated ozone
1090	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
1091	C₂H₂O	Oxirene	¹A₁	C_2v
1092	CH₂CO	Ketene	¹A₁	C_2v
1093	CH₂CO⁺	Ketene cation	²B₁	C_2v
1094	HCCOH	ethynol	¹A^'	C_s
1095	CH₂CS	Thioketene
1096	Be(OH)₂	Beryllium hydroxide
1097	Be(OH)₂	Beryllium hydroxide
1098	Mg(OH)₂	Magnesium dihydroxide	¹A_g	C_2h
1099	Mg(OH)₂	Magnesium dihydroxide	¹A	C₂
1100	Mg(OH)₂	Magnesium dihydroxide	¹Σ_g	D_∞h
1101	NH₂NO	Nitrosamide	¹A	C₁
1102	CH₂O₂	Dioxirane	¹A₁	C_2v
1103	H₂COO	Dioxymethyl radical	²A^'	C_s
1104	H₂COO⁺	dioxymethyl cation	²A^'	C_s
1105	HCOOH	Formic acid	¹A^'	C_s
1106	HCOOH	Formic acid
1107	H₂O₃	Hydrogen trioxide	¹A	C₂
1108	HSSSH	trisulfane	¹A	C₂
1109	HSSSH	trisulfane	¹A^'	C_s
1110	NaOCH₃	Sodium methoxide	¹A₁	C_3v
1111	BH₃CO	Borane carbonyl	¹A₁	C_3v
1112	CH₂CHO	Vinyloxy radical	²A^"	C_s
1113	CH₂COH⁺	ketene, protonated
1114	CH₃CO	Acetyl radical	²A^'	C_s
1115	CH₃CO^-	Acetyl anion	¹A^'	C_s
1116	CH₃CO⁺	acetyl cation	¹A₁	C_3v
1117	CHONH₂	formamide	¹A^'	Planar
1118	CHONH₂	formamide	¹A	Non-Planar
1119	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
1120	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
1121	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
1122	CHSNH₂	thioformamide
1123	NHCHSH	Methanimidothioic acid
1124	CH₂OOH	CH2OOH radical	²A	C₁
1125	CH₃OO	methylperoxy radical	²A^"	C_s
1126	CH₃OO^-	methylperoxy anion	¹A^'	C_s
1127	CH₃OO^-	methylperoxy anion	¹A^'	C_s
1128	CH₃OO⁺	methylperoxy cation	¹A^'	C_s
1129	CH₃OO⁺	methylperoxy cation	¹A^'	CS eclipsed
1130	C₂H₄O	Ethylene oxide	¹A₁	C_2v
1131	C₂H₄O⁺	ethylene oxide cation
1132	CH₂CHOH	ethenol	¹A^'	C_s
1133	CH₃CHO	Acetaldehyde	¹A^'	C_s
1134	CH₃CHO⁺	acetaldehyde cation
1135	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
1136	C₂H₄S	Thiirane	¹A₁	C_2v
1137	CH₂CHSH	Ethenethiol
1138	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
1139	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
1140	NH₂CHOH⁺	Formamide, O-protonated
1141	CH₂(OH)₂	methanediol	¹A	C₂
1142	CH₃OOH	Methyl peroxide	¹A	C₁
1143	CH₃SSH	Hydrogen methyl disulfide
1144	HSCH₂SH	Methanedithiol
1145	H₂OH₂CO	water formaldehyde dimer	¹A	C₁
1146	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
1147	CH₂CH₂OH	2-hydroxy ethyl radical	²A^'	C_s
1148	CH₂CH₂OH	2-hydroxy ethyl radical	²A	C₁
1149	CH₃CH₂O	Ethoxy radical	²A^'	C_s
1150	CH₃OCH₂	methoxymethyl radical	²A	C₁
1151	NH₂CH₂OH	aminomethanol
1152	CH₃CH₂OH	Ethanol	¹A^'	C_s
1153	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
1154	CH₃CH₂SH	ethanethiol	¹A^'	C_s
1155	CH₃CH₂SH	ethanethiol	¹A	C₁
1156	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
1157	CH₃SCH₃⁺	dimethyl sulfide cation
1158	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
1159	CH₃OHH₂O	methanol water dimer	¹A^'	C₁
1160	H₂OCH₃OH	water methanol dimer	¹A	C₁
1161	CuF₂	Copper difluoride	²Π_g	D_∞h
1162	ZnF₂	Zinc difluoride	¹Σ_G	D_∞h
1163	ZnF₂	Zinc difluoride	¹A₁	C_2v
1164	CNF	iso cyanogen fluoride	¹Σ	C_∞v
1165	FCN	Cyanogen fluoride	¹Σ	C_∞v
1166	ClCN	chlorocyanogen	¹Σ	C_∞v
1167	BrCN	Cyanogen bromide	¹Σ	C_∞v
1168	FBO	Boron monofluoride monoxide
1169	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
1170	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
1171	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
1172	MgCl₂	Magnesium dichloride	¹Σ_g	C_2v
1173	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
1174	ZnCl₂	Zinc dichloride	¹Σ_G	D_∞h
1175	ZnCl₂	Zinc dichloride	¹A₁	C_2v
1176	BeBr₂	Beryllium bromide
1177	CaBr₂	Calcium dibromide
1178	CaF₂	Calcium difluoride	¹Σ_g	C_2v
1179	FCO	Carbonyl fluoride	²A^'	C_s
1180	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
1181	ClCO	carbonyl monochloride	²A^'	C_s
1182	ClCO	carbonyl monochloride	²Σ	C_∞v
1183	BF₂	Boron difluoride radical	²A₁	C_2v
1184	FNO	Nitrosyl fluoride	¹A^'	C_s
1185	ClNO	Nitrosyl chloride	¹A^'	C_s
1186	FNS	Thionitrosyl fluoride	¹A^'	C_s
1187	FSN	Thiazyl fluoride	¹A^'	C_s
1188	OPCl	Phosphorus oxychloride
1189	BrNO	Nitrosyl bromide	¹A^'	C_s
1190	CF₂	Difluoromethylene	¹A₁	D_∞h
1191	CF₂	Difluoromethylene	³B₁	C_2v
1192	CF₂^-	Difluoromethylene anion	²B₁	C_2v
1193	CF₂⁺	Difluoromethylene cation	²A₁	C_2v
1194	CFCl	chlorofluoromethylene	¹A^'	C_s
1195	SiF₂	Silicon difluoride	¹A₁	C_2v
1196	SiF₂	Silicon difluoride	³B₁	C_2v
1197	CCl₂	dichloromethylene	¹A₁	C_2v
1198	CCl₂^-	dichloromethylene anion	²B₁	C_2v
1199	CCl₂⁺	dichloromethylene cation	²A₁	C_2v
1200	SiCl₂	Dichlorosilylene	¹A₁	C_2v
1201	GeF₂	Germanium difluoride	¹A₁	C_2v
1202	GeCl₂	Germanium dichloride	¹A₁	C_2v
1203	CBr₂	dibromomethylene	¹A₁	C_2v
1204	CBr₂	dibromomethylene	³B₁	C_2v
1205	FOO	Dioxygen monofluoride radical	²A^"	C_s
1206	FOO⁺	Fluorine dioxide cation
1207	ClOO	chloroperoxy radical	²A^"	C_s
1208	ClOO⁺	chloroperoxy cation	¹A^'	C_s
1209	OClO	Chlorine dioxide	²B₁	D_∞h
1210	OClO^-	Chlorine dioxide anion	¹A^'	C_s
1211	OClO⁺	Chlorine dioxide cation	¹A₁	C_2v
1212	ClSO	Sulfur chloride oxide	²A^"	C_s
1213	ClS₂	Sulfur chloride	²A^"	C_s
1214	BrOO	Bromine dioxide
1215	OBrO	Bromine dioxide radical	²B₁	C_2v
1216	NF₂	Difluoroamino radical	²B₁	C_2v
1217	NF₂⁺	Difluoroamino cation	¹A₁	C_2v
1218	PF₂	Phosphorus difluoride
1219	PF₂⁺	Phosphorus difluoride cation
1220	FClO	chlorosyl fluoride	¹A^'	C_s
1221	F₂O	Difluorine monoxide	¹A₁	C_2v
1222	ClOF	Chlorine hypofluorite	¹A^'	C_s
1223	SF₂	sulfur difluoride	¹A₁	C_2v
1224	SF₂^-	sulfur difluoride anion	²A^'	C_s
1225	SF₂^-	sulfur difluoride anion	²Π	D_∞h
1226	SF₂⁺	sulfur difluoride cation	²B₁	C_2v
1227	Cl₂O	Dichlorine monoxide	¹A₁	C_2v
1228	SCl₂	Sulfur dichloride	¹A₁	C_2v
1229	SeF₂	Selenium difluoride
1230	BrOCl	Bromine hypochlorite	¹A^'	C_s
1231	SeCl₂	Selenium Dichloride
1232	SBr₂	Sulfur dibromide
1233	SeBr₂	Selenium dibromide
1234	BrOBr	Bromine oxide	¹A₁	C_2v
1235	F₃^-	trifluoride anion	¹Σ_g	D_∞h
1236	F₃^-	trifluoride anion	¹Σ	C_∞v
1237	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
1238	Br₃^-	tribromide anion
1239	SFCl	Sulfur chloride fluoride
1240	HCCF	Fluoroacetylene	¹Σ	C_∞v
1241	HCCF⁺	fluoroacetylene cation	²Π	C_∞v
1242	HCCCl	Chloroacetylene	¹Σ	C_∞v
1243	HCCBr	bromoacetylene	¹Σ	C_∞v
1244	HFCO	formyl fluoride	¹A^'	C_s
1245	COHCl	Formyl chloride	¹A^'	C_s
1246	COHBr	Formyl bromide	¹A^'	C_s
1247	BHF₂	Difluoroborane	¹A₁	C_2v
1248	BHCl₂	Borane, dichloro-	¹A₁	C_2v
1249	CHF₂	difluoromethyl radical	²A	C_s
1250	CHF₂⁺	difluoromethyl cation
1251	CHFCl	Chlorofluoromethyl radical
1252	CHFCl⁺	Chlorofluoromethyl cation
1253	CHCl₂⁺	dichloromethyl cation
1254	CHBr₂	dibromomethyl radical
1255	HOClO	Chlorous acid	¹A	C₁
1256	HOClO	Chlorous acid	¹A^'	C_s
1257	NHF₂	difluoramine
1258	NHCl₂	dichloroamine
1259	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
1260	CH₂FCl	fluorochloromethane	¹A^'	C_s
1261	SiH₂F₂	difluorosilane
1262	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
1263	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
1264	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
1265	CH₂Br₂	dibromomethane	¹A₁	C_2v
1266	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
1267	CH₃MgBr	Methyl Magnesium Bromide
1268	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
1269	CH₂CHF⁺	fluoroethene cation	²A^"	C_s
1270	C₂H₃Cl	Ethene, chloro-	¹A^'	C_s
1271	C₂H₃Br	vinyl bromide	¹A^'	C_s
1272	CH₂FOH	fluoromethanol
1273	CH₃OCl	methyl hypochlorite	¹A^'	C_s
1274	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
1275	CHClCH₃	1-chloroethyl radical	²A	C₁
1276	C₂H₅F	fluoroethane	¹A^'	C_s
1277	CH₃CH₂Cl	Ethyl chloride	¹A^'	C_s
1278	C₂H₅Br	Ethyl bromide	¹A^'	C_s
1279	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
1280	C₄	Carbon tetramer	³Σ_g	D_∞h
1281	C₄	Carbon tetramer
1282	C₄⁺	Carbon tetramer cation	²Π_g	D_∞h
1283	C₄H₂	Diacetylene	¹Σ_g	D_∞h
1284	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
1285	C₂H₃CCH	1-Buten-3-yne	¹A^'	C₁
1286	C₄H₄	cyclobutadiene	¹A_g	D_2h
1287	C₄H₄	cyclobutadiene	¹A_1g	D_4h
1288	C₄H₄	Tetrahedrane
1289	H₂CCCCH₂	Butatriene	¹A_g	D_2h
1290	C₄H₆	1-Methylcyclopropene	¹A	C₁
1291	C₄H₆	Cyclobutene	¹A₁	C_2v
1292	C₄H₆	Methylenecyclopropane	¹A₁	C_2v
1293	CH₂CCHCH₃	1,2-Butadiene	¹A^'	C₁
1294	CH₂CHCHCH₂	1,3-Butadiene	¹A_g	C_2h
1295	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
1296	CH₃CCCH₃	2-Butyne	¹A₁^'	D_3h
1297	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
1298	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
1299	C₄H₈	methylcyclopropane	¹A^'	C_s
1300	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	¹A₁	C_2v
1301	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
1302	CH₃CHCHCH₃	2-Butene, (E)-	¹A_g	C_2h
1303	CH₃CHCHCH₃	2-Butene, (Z)-	¹A₁	C_2v
1304	Al(CH₃)₃	trimethyl aluminum	¹A^'	C_3h
1305	C(CH₃)₃	Tert-butyl radical	²A^"	C_3v
1306	CH₂CH(CH₃)₂	Isobutyl radical	²A^'	C₁
1307	CH₃CHCH₂CH₃	2-Butyl radical	¹A	C₁
1308	CH₃CH(CH₃)CH₃	Isobutane	¹A₁	C_3v
1309	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
1310	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
1311	SiH(CH₃)₃	trimethylsilane	¹A₁	C_3v
1312	Li₃N	trilithium nitride	¹A^'	D_3h
1313	Li₃N	trilithium nitride	¹A₁	C_3v
1314	C₂N₂	Cyanogen	¹Σ_g	D_∞h
1315	C₂N₂⁺	Cyanogen cation	²Π_g	D_∞h
1316	P₄	Phosphorus tetramer	¹A₁	T_d
1317	As₄	Arsenic tetramer	¹A₁	T_d
1318	HCCCN	Cyanoacetylene	¹Σ	C_∞v
1319	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
1320	H₂CNCN	cyanamide, methylene
1321	HNCCNH	Ethenediimine
1322	C₃H₃N	acrylonitrile	¹A^'	C_s
1323	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
1324	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
1325	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
1326	C₂H₅CN	ethyl cyanide	¹A^'	C_s
1327	CH₅N₃	Guanidine	¹A	C₁
1328	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
1329	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
1330	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A	C₂
1331	H₂NCHCHNH₂	diaminoethylene
1332	CH₆N₃⁺	guanidinium	¹A₁^'	D_3h
1333	CH₆N₃⁺	guanidinium	¹A₁	D₃
1334	C₃H₇N	Cyclopropylamine	¹A^'	C₁
1335	CH₇N₃	triaminomethane
1336	C₄H₈	cyclobutane	¹A₁	D_2d
1337	C₂H₈N₂	Ethylenediamine	¹A_g	C_2h
1338	CH₃NHNHCH₃	dimethyl hydrazine	¹A	C₂
1339	CH₃CH(NH₂)CH₃	2-Propanamine	¹A^'	C_s
1340	N(CH₃)₃	Trimethylamine	¹A₁	C_3v
1341	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
1342	N(SiH₃)₃	trisilylamine
1343	As(CH₃)₃	trimethyl arsine	¹A₁	C_3v
1344	(CH₃)₃NH⁺	protonated trimethyl amine
1345	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
1346	C₃O	Tricarbon monoxide	¹Σ	C_∞v
1347	B₂O₂	Diboron dioxide	¹Σ_g	D_∞h
1348	ONNO	NO dimer	¹A_g	trans C2H
1349	ONNO	NO dimer	¹A₁	cis C2V
1350	S₂N₂	Disulfur dinitride	¹A_G	D_2h
1351	CO₃	Carbon trioxide	¹A₁	C_2v
1352	CO₃^--	carbonate	¹A₁^'	D_3h
1353	CS₃^--	Carbonotrithioate
1354	NO₃	Nitrogen trioxide	²A₁^'	all bonds equal
1355	NO₃	Nitrogen trioxide	²B₂	one short, two long
1356	NO₃	Nitrogen trioxide	²B₂	one long, two short
1357	NO₃^-	nitrate anion	¹A₁^'	D_3h
1358	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
1359	NO₃⁺	nitrogen trioxide cation	¹A₁^'	D_3h
1360	SO₃	Sulfur trioxide	¹A₁^'	D_3h
1361	SO₃^-	Sulfur trioxide anion	²A₁	pyramidal
1362	SO₃^-	Sulfur trioxide anion	²A₂^"	planar
1363	SO₃^--	Sulfate dianion
1364	SO₃⁺	Sulfur trioxide cation	²A₂^'	D_3h
1365	SeO₃	selenium trioxide	¹A₁^'	D_3h
1366	SeO₃	selenium trioxide	¹A₁	C_2v
1367	S₄	Sulfur tetramer
1368	S₄	Sulfur tetramer
1369	S₄	Sulfur tetramer
1370	HCO₃^-	bicarbonate anion	¹A^'	C_s
1371	HNO₃	Nitric acid	¹A^'	C_s
1372	HSO₃	Hydroxysulfonyl radical	²A	C₁
1373	C₃H₂O	Propadienal
1374	C₃H₂O	Propadienal
1375	C₂H₂O₂	Ethanedial	¹A_g	C_2h
1376	C₂H₂O₂⁺	Ethanedial cation	²A_G	C_2h
1377	H₂CO₃	Carbonic acid	¹A₁	C_2v
1378	H₂NO₃⁺	Nitric Acid, Protonated	¹A₁	C_2v
1379	H₂SO₃	Sulfurous acid	¹A^'	C_s
1380	H₂SO₃	Sulfurous acid	¹A^'	C_s
1381	C₂H₃NO	Nitrosoethylene
1382	CH₃NCO	methylisocyante
1383	HOCH₂CN	cyanomethanol
1384	CH₃COO^-	acetate anion	¹A^'	eclipsed
1385	CH₃COO^-	acetate anion		offset. at
1386	CH₃NO₂	Methane, nitro-	¹A^'	C_s
1387	CH₃ONO	Methyl nitrite	¹A^'	C₁
1388	NH₂COOH	Carbamic acid	¹A^'	C_s
1389	NH₂COOH	Carbamic acid	¹A	C₁
1390	H₃BO₃	Boric acid	¹A^'	C_3h
1391	H₃AlO₃	Aluminum hydroxide
1392	H₃CO₃⁺	carbonic acid, protonated	¹A^'	C_3h
1393	C₃H₄O	2-Propyn-1-ol	¹A^'	C_s
1394	C₃H₄O	allenol	¹A^'	C_s
1395	C₃H₄O	Cyclopropanone	¹A₁	C_2v
1396	C₃H₄O	Methylketene	¹A^'	C_s
1397	CH₂CHCHO	Acrolein	¹A^'	C_s
1398	CH₂CHCHO	Acrolein
1399	NH₂CONH₂	Urea	¹A	C₂
1400	NH₂CONH₂	Urea	¹A^'	C_s
1401	NH₂CONH₂⁺	Urea cation	²A₂	C₂
1402	NH₂CSNH₂	Thiourea	¹A	C₂
1403	C₂H₄O₂	1,3-dioxetane	¹A_g	D_2h
1404	C₂H₄O₂	1,3-dioxetane		C_2v
1405	CH₃COOH	Acetic acid	¹A^'	C_s
1406	CH₃OCHO	methyl formate	¹A^'	C_s
1407	CHOCH₂OH	hydroxy acetaldehyde	¹A^'	CS H in
1408	H₂OHCOOH	Water formic acid dimer 1	¹A	C₁
1409	H₂OHCOOH	Water formic acid dimer 2	¹A	C₁
1410	HCOOHH₂O	Formic acid water dimer	¹A	C₁
1411	HOCH₂OOH	hydroxy methyl peroxide	¹A	C₁
1412	CH₂C(OH)NH₂	1-amino vinyl alchohol
1413	CH₃C(OH)=NH	Ethaninidic acid
1414	CH₃CHNOH	Acetaldoxime	¹A^'	CS trans
1415	CH₃CONH₂	Acetamide	¹A^'	C₁
1416	CH₃CSNH₂	Ethanethioamide
1417	C₂H₅OO	ethylperoxy radical	²A^'	C_s
1418	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
1419	C₃H₅OH	Cyclopropanol	¹A	C₁
1420	C₃H₆O	2-Propen-1-ol	¹A	C₁
1421	C₃H₆O	2-Propen-1-ol	¹A^'	C_s
1422	C₃H₆O	Acetone enol	¹A^'	C_s
1423	C₃H₆O	Oxetane	¹A₁	C_2v
1424	C₃H₆O	Propylene oxide	¹A	C₁
1425	CH₃CH₂CHO	Propanal	¹A^'	C_s
1426	CH₃COCH₃	Acetone	¹A₁	C_2v
1427	CH₃COCH₃	Acetone	¹A	C₂
1428	CH₃COCH₃	Acetone	³A^"	C_s
1429	CH₃COCH₃^-	acetone anion	²A^'	C_s
1430	C₃H₆S	Thietane	¹A^'	C_s
1431	C₃H₆S	Thiirane, methyl-	¹A	C₁
1432	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
1433	C₂H₆O₂	1,2-Ethanediol	¹A_g	C_2h
1434	CH₃OOCH₃	dimethylperoxide	¹A_g	C_2h
1435	CH₃OOCH₃	dimethylperoxide	¹A	C₂
1436	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
1437	CH₂SHCH₂SH	1,2-Ethanedithiol	¹A_g	C_2h
1438	CH₃SSCH₃	Disulfide, dimethyl	¹A	C₂
1439	HOCH₂CH₂NH₂	monoethanolamine	¹A^'	C_s
1440	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH out
1441	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
1442	C₃H₇OH	1-Propanol	¹A^'	C_s
1443	C₃H₇OH	1-Propanol
1444	CH₃CHOHCH₃	Isopropyl alcohol	¹A	C₁
1445	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
1446	C₃H₇SH	1-Propanethiol	¹A^'	C_s
1447	CH₃CHSHCH₃	2-Propanethiol	¹A^'	C_s
1448	CH₃SCH₂CH₃	Ethane, (methylthio)-	¹A^'	C_s
1449	H₂OCH₃OCH₃	water dimethylether dimer	¹A	C₁
1450	Li₂F₂	Lithium fluoride dimer
1451	Na₂Cl₂	Disodium dichloride	¹A_g	C_2h
1452	C₂F₂	difluoroacetylene	¹Σ_g	D_∞h
1453	C₂Cl₂	dichloroacetylene	¹Σ_g	C_2h
1454	C₂Cl₂⁺	dichloroacetylene cation	²Π_U	D_∞h
1455	FNO₂	Nitryl fluoride	¹A₁	C_2v
1456	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
1457	ClNO₂	Nitryl chloride	¹A₁	C_2v
1458	BrONO	Bromine nitrite	¹A^'	CS trans
1459	BrONO	Bromine nitrite	¹A^'	CS cis
1460	N₂F₂	(Z)-Difluorodiazene	¹A₁	C_2v
1461	N₂F₂	Dinitrogen difluoride, (E)-	¹A_g	C_2h
1462	CF₂O	Carbonic difluoride	¹A₁	C_2v
1463	CF₂O⁺	Carbonic difluoride cation
1464	COFCl	Carbonic chloride fluoride	¹A^'	C_s
1465	CCl₂O	Phosgene	¹A₁	C_2v
1466	Cl₂CS	Thiophosgene	¹A₁	C_2v
1467	COBr₂	Carbonic dibromide	¹A₁	C_2v
1468	BF₃	Borane, trifluoro-	¹A^'	D_3h
1469	BF₃^-	Borane, trifluoro- anion	²A₁	D_3h
1470	BF₃^-	Borane, trifluoro- anion	²A₁	C_3v
1471	BF₃⁺	boron trifluoride cation	²A₂^'	D_3h
1472	BF₃⁺	boron trifluoride cation	²B₂	C_2v
1473	BF₃⁺	boron trifluoride cation
1474	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
1475	BClF₂	Chlorodifluoroborane
1476	AlF₂Cl	Aluminum chloride difluoride	¹A₁	C_2v
1477	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
1478	AlFCl₂	Aluminum dichloride fluoride	¹A₁	C_2v
1479	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
1480	BCl₃⁺	Boron Trichloride cation
1481	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
1482	AlCl₃	Aluminum trichloride	¹A₁^'	D_3h
1483	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
1484	BBr₃	Boron tribromide	¹A₁^'	D_3h
1485	ClO₃^-	chlorate anion	¹A₁	C_3v
1486	CF₃	Trifluoromethyl radical	²A₁	C_3v
1487	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
1488	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
1489	CF₂Cl	difluorochloromethyl radical
1490	CFCl₂	dichlorofluoromethyl radical
1491	CCl₃	Trichloromethyl radical	²A₁	C₃
1492	CCl₃^-	Trichloromethyl anion	¹A₁	C_3v
1493	CCl₃⁺	Trichloromethyl cation	¹A₁^'	D_3h
1494	SiCl₃	trichlorosilyl radical	²A₁	C_3v
1495	SiCl₃⁺	trichlorosilyl cation	¹A₁^'	D_3h
1496	CBr₃	tribromomethyl radical
1497	FOOF	Perfluoroperoxide	¹A	C₂
1498	ClO₂F	Chloryl fluoride	¹A^'	C_s
1499	F₂SO	Thionyl Fluoride	¹A^'	C_s
1500	ClOOCl	Dichlorine dioxide	¹A	C₂
1501	FSSF	Difluorodisulfane	¹A	C₂
1502	S₂F₂	Thio-thionyl fluoride	¹A^'	C_s
1503	SOCl₂	thionyl chloride	¹A^'	C_s
1504	SSCl₂	Thiothionyl chloride
1505	SeOCl₂	selenium oxychloride	¹A^'	C_s
1506	NF₃	Nitrogen trifluoride	¹A₁	C_3v
1507	NF₃^-	Nitrogen trifluoride anion	²A₁	C_3v
1508	NF₃^-	Nitrogen trifluoride anion	²A	C_s
1509	NF₃⁺	Nitrogen trifluoride cation	²A₁	C_3v
1510	PF₃	Phosphorus trifluoride	¹A₁	C_3v
1511	NCl₃	nitrogen trichloride	¹A₁	C_3v
1512	AsF₃	Arsenic trifluoride	¹A₁	C_3v
1513	PCl₃	Phosphorus trichloride	¹A₁	C_3v
1514	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
1515	PBr₃	Phosphorus tribromide	¹A₁	C_3v
1516	ClSSCl	Disulfur dichloride	¹A	C₂
1517	SF₃	Sulfur trifluoride	²A^'	C_s
1518	SF₃	Sulfur trifluoride	²B₁	C_2v
1519	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
1520	ClF₃	Chlorine trifluoride	¹A₁	C_2v
1521	BrF₃	Bromine trifluoride	¹A₁	C_2v
1522	HClO₃	Chloric Acid	¹A^'	C_s
1523	HClO₃	Chloric Acid	¹A	C₁
1524	CHF₃	Methane, trifluoro-	¹A₁	C_3v
1525	CHF₂Cl	difluorochloromethane	¹A^'	C_s
1526	SiHF₃	trifluorosilane
1527	CHFCl₂	fluorodichloromethane	¹A^'	C_s
1528	CDCl₃	trichloromethane-d	¹A₁	C_3v
1529	CHCl₃	Chloroform	¹A₁	C_3v
1530	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
1531	SiHCl₃	Trichlorosilane	¹A₁	C_3v
1532	CHFClBr	fluorochlorobromomethane	¹A	C₁
1533	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
1534	CHBr₂F	dibromofluoromethane
1535	CHClBr₂	Methane, dibromochloro-	¹A^'	C_s
1536	CHBr₃	bromoform	¹A₁	C_3v
1537	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
1538	AsF₃H⁺	Arsenic trifluoride, protonated
1539	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	¹A_g	C_2h
1540	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	¹A₁	C_2v
1541	CH₂CF₂	Ethene, 1,1-difluoro-	¹A₁	C_2v
1542	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
1543	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
1544	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
1545	CH₂CCl₂	Ethene, 1,1-dichloro-	¹A₁	C_2v
1546	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	¹A_g	C_2h
1547	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	¹A₁	C_2v
1548	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
1549	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
1550	CH₃COF	Acetyl fluoride	¹A^'	NULL
1551	CH₂ClCHO	chloroacetaldehyde	¹A	C1 bisecting, trans
1552	CH₂ClCHO	chloroacetaldehyde	¹A^'	CS eclipsed, cis
1553	CH₃COCl	Acetyl Chloride	¹A^'	C_s
1554	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
1555	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
1556	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
1557	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	¹A	C₁
1558	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A_g	C_2h
1559	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
1560	CH₃CHCl₂	Ethane, 1,1-dichloro-	¹A^'	C_s
1561	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1562	CH₂BrCH₂Cl	1-bromo-2-chloroethane
1563	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
1564	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
1565	CH₂CHCH₂F	Allyl Fluoride
1566	CH₂CHCH₂F	Allyl Fluoride
1567	CH₃CHCHF	trans-1-Fluoro-1-propene
1568	C₃H₅Cl	1-Propene, 3-chloro-	¹A	C₁
1569	C₃H₅Cl	1-chloro-1-propene(E)	¹A^'	C_s
1570	C₃H₅Cl	1-chloro-1-propene(Z)	¹A^'	C_s
1571	CH₂FCH₂OH	2-fluoroethanol
1572	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
1573	CH₂FCH₂CH₃	1-Fluoropropane
1574	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1575	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A^'	anti
1576	CH₂ClCH₂CH₃	Propane, 1-chloro-	¹A	gauche
1577	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1578	CH₃CH₂CH₂Br	n-propyl bromide	¹A^'	C_s
1579	CH₃CHBrCH₃	i-propyl bromide	¹A^'	C_s
1580	B₅H₉	pentaborane9
1581	C₅H₄	pentatetraene
1582	C₅H₅	cyclopentadienyl radical	²E₁^"	D_5h
1583	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1584	C₅H₅^-	cylopentadienyl anion	¹A₁^'	D_5h
1585	C₅H₆	1,3-Cyclopentadiene	¹A₁	C_2v
1586	C₅H₆	1-Buten-3-yne, 2-methyl-	¹A^'	C_s
1587	C₅H₆	3-Penten-1-yne, (E)-	¹A^'	C_s
1588	C₅H₆	3-Penten-1-yne, (Z)-	¹A^'	C_s
1589	C₅H₆	Bicyclo[2.1.0]pent-2-ene	¹A^'	C_s
1590	C₅H₆	Cyclopropylacetylene	¹A^'	C₁
1591	C₅H₆	Propellane	¹A₁	D_3h
1592	C₅H₇	1,3-pentadienyl radical	²B₁	C_2v
1593	C₅H₇	cyclopentenyl radical	²A₂	C_2v
1594	C₅H₈	1,2-Butadiene, 3-methyl-	¹A₁	C_2v
1595	C₅H₈	1,2-Pentadiene	¹A^'	C₁
1596	C₅H₈	1,3-Butadiene, 2-methyl-	¹A^'	C_s
1597	C₅H₈	1,3-Pentadiene, (E)-	¹A^'	C₁
1598	C₅H₈	1,3-Pentadiene, (Z)-	¹A^'	C_s
1599	C₅H₈	1,4-Pentadiene	¹A	C₂
1600	C₅H₈	1-pentyne	¹A^'	C_s
1601	C₅H₈	2,3-Pentadiene	¹A	C₁
1602	C₅H₈	Bicyclo[1.1.1]pentane
1603	C₅H₈	Cyclobutane, methylene-	¹A^'	C_s
1604	C₅H₈	Cyclopentene	¹A^'	C_s
1605	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1606	C₅H₁₀	1-Butene, 2-methyl-	¹A	C₁
1607	C₅H₁₀	2-Butene, 2-methyl-	¹A^'	C_s
1608	C₅H₁₀	2-Pentene, (E)-	¹A^'	C_s
1609	C₅H₁₀	2-Pentene, (Z)-	¹A	C₁
1610	C₅H₁₀	Cyclopentane	¹A	C₁
1611	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	¹A₁	C₁
1612	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1613	CH₂CHCH₂CH₂CH₃	1-pentene	¹A	C₁
1614	C₅H₁₁	2-Methylbut-2-yl radical	¹A	C₁
1615	C₅H₁₂	Butane, 2-methyl-	¹A	C₁
1616	C₅H₁₂	Pentane	¹A₁	C_2v
1617	C₅H₁₂	Propane, 2,2-dimethyl-	¹A₁	T_d
1618	Si(CH₃)₄	tetramethylsilane	¹A₁	T_d
1619	N₂O₃	Dinitrogen trioxide	¹A^'	C_s
1620	C₃H₂N₂	Malononitrile	¹A₁	C_s
1621	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1622	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1623	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1624	C₄H₄N	pyrrolide radical	²A₂	C_2v
1625	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1626	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1627	C₃H₄N₂	1H-Pyrazole	¹A^'	C_s
1628	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1629	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1630	C₄H₅N	(E)-2-Butenenitrile	¹A^'	C_s
1631	C₄H₅N	(Z)-2-Butenenitrile	¹A^'	C_s
1632	C₄H₅N	2H-pyrrole	¹A^'	C_s
1633	C₄H₅N	3H-pyrrole	¹A^'	C_s
1634	C₄H₅N	Cyclopropanecarbonitrile	¹A^'	C_s
1635	C₄H₅N	Pyrrole	¹A₁	C_2v
1636	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1637	C₃H₆N₂	3-Aminopropionitrile	¹A^'	C_s
1638	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1639	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1640	C₅H₈	Bicyclo[2.1.0]pentane	¹A^'	C_s
1641	C₅H₈	Spiropentane	¹A₁	D_2d
1642	C₄H₉N	Cyclobutylamine	¹A^'	C_s
1643	C₄H₉N	Pyrrolidine	¹A^'	C_s
1644	C₃H₁₀N₂	1,2-Diaminopropane	¹A	C₁
1645	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	¹A	C₁
1646	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	¹A	C₁
1647	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	¹A^'	C_s
1648	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	¹A	C₁
1649	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1650	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1651	C₃O₂	Carbon suboxide	¹A₁	C_2v
1652	C₃O₂⁺	Carbon suboxide cation	²Π_U	D_∞h
1653	B₂O₃	diboron trioxide
1654	B₂O₃	diboron trioxide
1655	CaCO₃	Calcium Carbonate	¹A₁	C_2v
1656	CaCO₃	Calcium Carbonate	¹A^'	C_s
1657	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1658	PO₄^---	phosphate	¹A₁	T_d
1659	SO₄^--	sulfate	¹A₁	T_d
1660	HOONO₂	peroxy nitric acid	¹A	C₁
1661	HSO₄^-	bisulfate anion	¹A^'	C_s
1662	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1663	CHOCOOH	oxo acetic acid	¹A^'	C_s
1664	CHOOCHO	diformyl ether
1665	H₂SO₄	Sulfuric acid	¹A	C₁
1666	H₂SeO₄	Selenic acid	¹A	C₂
1667	C₃H₃NO	Isoxazole	¹A^'	C_s
1668	C₃H₃NO	Oxazole	¹A^'	C_s
1669	C₃H₃NS	Thiazole
1670	CH₃C(O)OO	acetyl peroxy radical	¹A^'	C_s
1671	CH₃NO₃	Methyl nitrate	¹A^'	C_s
1672	H₃PO₄	Phosphoric Acid	¹A	C₃
1673	C₄H₄O	Furan	¹A₁	C₂
1674	C₄H₄O⁺	Furan cation	¹A₁	C₂
1675	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1676	C₄H₄S	Thiophene	¹A₁	C_2v
1677	C₄H₄Se	selenophene
1678	C₃H₄O₂	β–Propiolactone	¹A^'	C_s
1679	C₃H₄O₂	2-Propenoic acid	¹A^'	C_s
1680	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1681	C₃H₄O₂	propanedial	¹A	C₁
1682	C₃H₄O₂	propenalol	¹A^'	C_s
1683	HOCHCCHOH	allenediol	¹A	C₂
1684	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1685	C₂H₄O₃	trioxolane124	¹A	C₂
1686	HOCH₂COOH	Hydroxyacetic acid	¹A	C_s
1687	HOCH₂COOH	Hydroxyacetic acid	¹A	C₁
1688	CH₂CHCONH₂	Acrylamide	¹A	C_s
1689	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1690	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1691	CH₅N₃S	Hydrazinecarbothioamide	¹A	C₁
1692	H₂NCH₂COOH	Glycine	¹A^'	C_s
1693	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1694	C₄H₆O	cis-2-butenal	¹A	C_s
1695	C₄H₆O	Cyclobutanone	¹A₁	C_2v
1696	C₄H₆O	Furan, 2,3-dihydro-	¹A	C₁
1697	C₄H₆O	Furan, 2,5-dihydro-	¹A₁	C_s
1698	CH₂CHOCHCH₂	Vinyl ether	¹A₁	C_2v
1699	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1700	CHOCHCHCH₃	2-Butenal	¹A^'	C_s
1701	C₄H₆S	Thiophene, 2,3-dihydro-	¹A	C₁
1702	C₄H₆S	Thiophene, 2,5-dihydro-	¹A₁	C_2v
1703	CH₂CHSCHCH₂	Divinyl sulfide	¹A	C_2v
1704	CH₂CHSCHCH₂	Divinyl sulfide
1705	C₂H₆N₂O	Urea, methyl-	¹A	C₁
1706	C₃H₆O₂	1,3-Dioxolane	¹A	C₂
1707	C₃H₆O₂	1,3-Dioxolane	¹A^'	C_s
1708	C₃H₆O₂	1,3-Dioxolane	¹A	C₁
1709	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1710	CH₃COOCH₃	methyl acetate	¹A^'	C_s
1711	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1712	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1713	CH₃SSSCH₃	dimethyl trisulfide	¹A	C₂
1714	C₃H₇NO	dimethylformamide	¹A^'	C_s
1715	C₃H₇NO	dimethylformamide	¹A	C₁
1716	C₃H₇NO	Propanamide	¹A^'	C₁
1717	C₂H₃OC₂H₅	Ethene, ethoxy-	¹A	C₁
1718	C₄H₈O	Cyclobutanol	¹A^'	C₁
1719	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	¹A	C₁
1720	CH₃COCH₂CH₃	2-Butanone	¹A^'	C_s
1721	CH₃COCH₂CH₃	2-Butanone	¹A	C₁
1722	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	¹A^'	C_s
1723	CHOCH₂CH₂CH₃	Butanal	¹A^'	C_s
1724	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1725	C₃H₈O₂	1,3-Propanediol	¹A₁	C₁
1726	C₃H₈O₂	1,3-Propanediol	¹A	C₁
1727	C₃H₈O₂	Hydroperoxide, 1-methylethyl	¹A	C₁
1728	C₃H₈O₂	Methane, dimethoxy-	¹A	C₂
1729	C₃H₈O₂	Methane, dimethoxy-	¹A₁	C_2v
1730	C₃H₈O₂	Propylene glycol	¹A	C₁
1731	C₃H₈S₂	1,3-Propanedithiol	¹A₁	C₁
1732	C₄H₁₀O	1-Butanol	¹A^'	C_s
1733	C₄H₁₀O	1-Butanol	¹A	C₁
1734	C₄H₁₀O	1-Propanol, 2-methyl-	¹A	C₁
1735	C₄H₁₀O	2-Butanol, (.+/-.)-	¹A	C₁
1736	C₄H₁₀O	Ethanol, 1,1-dimethyl-	¹A^'	C_s
1737	C₄H₁₀O	Ethanol, 1,1-dimethyl-	¹A	C₁
1738	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1739	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1740	C₄H₁₀O	Propane, 2-methoxy-	¹A^'	C_s
1741	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1742	C₂H₅SC₂H₅	Diethyl sulfide	¹A₁	C_2v
1743	C₄H₉SH	1-Butanethiol
1744	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	¹A	C₁
1745	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	¹A	C₁
1746	CH₃CH(SH)CH₂CH₃	2-Butanethiol	¹A	C₁
1747	FNO₃	Fluorine nitrate	¹A^'	C_s
1748	ClONO₂	Chlorine nitrate	¹A^'	C_s
1749	BrONO₂	Bromine nitrate	¹A^'	C_s
1750	TiCl₄	Titanium tetrachloride	¹A₁	T_d
1751	ClO₄^-	perchlorate anion	¹A₁	T_d
1752	BF₄^-	tetrafluoroboron anion	¹A₁	T_d
1753	ClFO₃	Perchloryl fluoride	¹A₁	C_s
1754	SO₂F₂	Sulfuryl fluoride	¹A₁	C_2v
1755	SO₂Cl₂	Sulfuryl chloride	¹A₁	C_2v
1756	F₃NO	Nitrogen trifluoride oxide	¹A₁	C_3v
1757	F₃PO	Phosphoryl fluoride	¹A₁	C_3v
1758	Cl₃PO	Phosphoryl chloride	¹A₁	C_3v
1759	CF₄	Carbon tetrafluoride	¹A₁	T_d
1760	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1761	SiF₄	Silicon tetrafluoride	¹A₁	T_d
1762	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1763	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1764	CFCl₃	Trichloromonofluoromethane	¹A₁	C_3v
1765	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1766	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1767	CCl₄	Carbon tetrachloride	¹A₁	T_d
1768	CBrClF₂	Methane, bromochlorodifluoro-	¹A^'	C_s
1769	SiCl₄	Silane, tetrachloro-	¹A₁	T_d
1770	CBrCl₂F	bromodichlorofluoromethane
1771	CBrCl₃	Methane, bromotrichloro-	¹A₁	C_3v
1772	CBr₂F₂	Methane, dibromodifluoro-	¹A^'	C_2v
1773	GeCl₄	Germanium Tetrachloride	¹A₁	T_d
1774	CBr₂ClF	dibromochlorofluoromethane
1775	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1776	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1777	CBr₄	Carbon tetrabromide	¹A₁	T_d
1778	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1779	GeBr₄	Germanium tetrabromide
1780	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1781	SeF₄	Selenium tetrafluoride
1782	SCl₄	Sulfur tetrachloride
1783	C₂HF₃	Trifluoroethylene	¹A^'	C_s
1784	C₂HF₃⁺	Trifluoroethylene cation	²A^"	C_s
1785	CHClCCl₂	Trichloroethylene	¹A^'	C_s
1786	CHBrCF₂	1-Bromo-2,2-difluoroethylene	¹A^'	C_s
1787	HClO₄	perchloric acid	¹A	C_s
1788	HSO₃F	Fluorosulfonic acid	¹A	C₁
1789	CF₃OH	trifluoromethanol	¹A^'	C_s
1790	CH₂ClCCCl	1,3-dichloropropyne
1791	CHCl₂CCH	3,3-dichloropropyne
1792	CHCl₂CHO	dichloroacetaldehyde	¹A	C₁
1793	CHCl₂CHO	dichloroacetaldehyde
1794	CH₃CF₃	Ethane, 1,1,1-trifluoro-	¹A₁	C_3v
1795	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1796	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1797	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	¹A^'	C_s
1798	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	¹A^'	C_s
1799	CH₂ClCHCl₂	1,1,2-trichloroethane	¹A	C₁
1800	CH₃CCl₃	Ethane, 1,1,1-trichloro-	¹A₁	C_3v
1801	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1802	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1803	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1804	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1805	C₃H₅ClO	Oxirane, (chloromethyl)-	¹A	C₁
1806	CH₂FCH₂CH₂F	1,3-difluoropropane
1807	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	¹A	C₁
1808	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1809	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	¹A^'	C_s
1810	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	¹A	C₁
1811	CH₂CHCHClCH₃	1-Butene, 3-chloro-	¹A	C₁
1812	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1813	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	¹A^'	C_s
1814	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	¹A^'	C_s
1815	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	¹A	C₁
1816	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	¹A^'	C_s
1817	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	¹A^'	C_s
1818	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	¹A₁	C_3v
1819	CH₃CHClCH₂CH₃	Butane, 2-chloro-	¹A	C₁
1820	C₂H₂N₂O	Furazan
1821	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1822	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1823	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	¹A_g	C_s
1824	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	¹A₁	C_2v
1825	C₆H₄	Benzyne	¹A₁	C_2v
1826	C₆H₅	phenyl	²A₁	C_2v
1827	C₆H₅^-	phenyl anion	¹A₁	C_2v
1828	C₆H₆	Prismane
1829	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1830	C₆H₆	2,4-Hexadiyne	¹A₁^'	D_3h
1831	C₆H₆	2,4-Hexadiyne	¹A_1G	D_3d
1832	C₆H₆	Benzene	¹A_1g	D_6h
1833	C₆H₆	Benzvalene	¹A₁	C_2v
1834	C₆H₆	Dewar Benzene
1835	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1836	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1837	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1838	C₆H₈	(E)-hexa-1,3,5-triene	¹A_g	C_s
1839	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1840	C₆H₈	(Z)-hexa-1,3,5-triene	¹A₁	C_2v
1841	C₆H₈	(Z)-hexa-2,3,4-triene	¹A₁	C_2v
1842	C₆H₈	1,4-Cyclohexadiene	¹A_g	C_2v
1843	C₆H₈	3-Methylenecyclopentene	¹A	C₁
1844	C₆H₈	Bicyclo[2.1.1]hex-2-ene	¹A₁	C_2v
1845	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	¹A_g	D_2h
1846	C₆H₈	Bicyclo[3.1.0]hex-2-ene	¹A	C₁
1847	C₆H₁₀	1,3-Hexadiene, (E)-	¹A^'	C_s
1848	C₆H₁₀	1,3-Hexadiene, (Z)-	¹A^'	C_s
1849	C₆H₁₀	1,4-Hexadiene, (E)-	¹A	C₁
1850	C₆H₁₀	1,4-Hexadiene, (Z)-	¹A	C₁
1851	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1852	C₆H₁₀	1-Butyne, 3,3-dimethyl-	¹A₁	C_3v
1853	C₆H₁₀	1-Hexyne	¹A^'	C_s
1854	C₆H₁₀	2,4-Hexadiene, (E,E)-	¹A_g	C_2h
1855	C₆H₁₀	2,4-Hexadiene, (E,Z)-	¹A^'	C_s
1856	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	¹A^'	C_s
1857	C₆H₁₀	2-Hexyne	¹A^'	C₁
1858	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1859	C₆H₁₀	cyclohexene	¹A	C₂
1860	C₆H₁₀	Cyclopentene, 1-methyl-	¹A	C₁
1861	C₆H₁₀	Cyclopentene, 3-methyl-	¹A	C₁
1862	C₆H₁₀	Cyclopentene, 4-methyl-	¹A	C₁
1863	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	¹A^'	C_s
1864	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	¹A	C_s
1865	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A_g	C_2h
1866	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1867	C₆H₁₂	(E)-2-Hexene	¹A^'	C_s
1868	C₆H₁₂	(E)-2-Hexene	¹A	C₁
1869	C₆H₁₂	(E)-3-methylpent-2-ene	¹A	C₁
1870	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1871	C₆H₁₂	(Z)-3-methylpent-2-ene	¹A	C₁
1872	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1873	C₆H₁₂	(Z)-hex-2-ene	¹A	C₁
1874	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1875	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1876	C₆H₁₂	3-methylenepentane	¹A	C₁
1877	C₆H₁₂	cis-1,2-dimethylcyclobutane	¹A^'	C_s
1878	C₆H₁₂	cis-1,2-dimethylcyclobutane	¹A	C₁
1879	C₆H₁₂	cis-1,3-dimethylcyclobutane	¹A₁	C_2v
1880	C₆H₁₂	Cyclohexane	¹A_1g	Chair
1881	C₆H₁₂	Cyclohexane	¹A	twist boat
1882	C₆H₁₂	Cyclopentane, methyl-	¹A	C₁
1883	C₆H₁₂	Ethylcyclobutane	¹A	C₁
1884	C₆H₁₂	hex-1-ene	¹A^'	C_s
1885	C₆H₁₄	Butane, 2,2-dimethyl-	¹A^'	C₁
1886	C₆H₁₄	Butane, 2,3-dimethyl-	¹A_g	C_2h
1887	C₆H₁₄	Hexane	¹A_g	C_2h
1888	C₆H₁₄	Pentane, 2-methyl-	¹A	C₁
1889	C₆H₁₄	Pentane, 3-methyl-	¹A^'	C_s
1890	C₄N₂	2-Butynedinitrile	¹Σ_g	D_∞h
1891	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1892	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1893	C₂H₂N₄	sym-tetrazine	¹A_g	D_2h
1894	C₃H₃N₃	1,3,5-Triazine	¹A₁^'	D_3h
1895	CH₃N₅	5-Aminotetrazole	¹A	C₁
1896	C₄H₄N₂	1,3-Diazine	¹A₁	C_2v
1897	C₄H₄N₂	Pyrazine	¹A_g	D_2h
1898	C₄H₄N₂	Pyridazine	¹A₁	C_2v
1899	C₄H₄N₂	Succinonitrile	¹A_g	C_2h
1900	C₂H₄N₄	1H-Tetrazole, 1-methyl-	¹A^'	C_s
1901	C₂H₄N₄	1H-Tetrazole, 5-methyl-	¹A^'	C₁
1902	C₂H₄N₄	2H-Tetrazole, 2-methyl-	¹A	C₁
1903	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	¹A^'	C_s
1904	C₅H₅N	Pyridine	¹A₁	C_2v
1905	B₃N₃H₆	borazine	¹A₁^'	D_3h
1906	C₆H₆	Fulvene	¹A₁	C_2v
1907	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1908	C₄H₆N₂	1H-Imidazole, 2-methyl-	¹A^'	C_s
1909	C₅H₇N	(E)-2-Pentenenitrile	¹A^'	C_s
1910	C₅H₇N	(E)-3-Pentenenitrile	¹A	C₁
1911	C₅H₇N	(Z)-2-Pentenenitrile	¹A	C₁
1912	C₅H₇N	1H-Pyrrole, 1-methyl-	¹A	C₁
1913	C₅H₇N	Cyclobutanecarbonitrile	¹A^'	C_s
1914	C₅H₉N	1,2,3,6-Tetrahydropyridine	¹A	C₁
1915	C₅H₉N	Butanenitrile, 2-methyl-	¹A	C₁
1916	C₅H₉N	Pentanenitrile	¹A^'	C_s
1917	C₅H₉N	Propanenitrile, 2,2-dimethyl-	¹A₁	C₁
1918	C₆H₁₀	Bicyclo[3.1.0]hexane	¹A^'	C_s
1919	C₅H₁₁N	Cyclopentanamine	¹A^'	C_s
1920	C₅H₁₁N	Piperidine	¹A^'	NH equatorial
1921	C₅H₁₁N	Piperidine	¹A^'	NH axial
1922	C₄H₁₂N₂	1,2-Butanediamine	¹A	C₁
1923	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	¹A^'	C₁
1924	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1925	C₂O₄^--	oxalate anion	¹A_g	D_2h
1926	C₂O₄^--	oxalate anion	¹A₁	D_2d
1927	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1928	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1929	C₃H₂O₃	vinylene carbonate
1930	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1931	C₂H₃NO₃	Oxamic acid	¹A^'	H out
1932	C₂H₃NO₃	Oxamic acid	¹A^'	H in
1933	C₄H₄O₂	2-Oxetanone, 4-methylene-	¹A	C₁
1934	C₂H₄N₂O₂	Oxalamide	¹A_g	C_2h
1935	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1936	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1937	C₃H₄O₂S	2H-Thiete-1,1-dioxide	¹A^'	C₁
1938	C₃H₄S₃	1,3-Dithiolane-2-thione	¹A	C₁
1939	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1940	C₄H₅NO	3-Methylisoxazole	¹A	C₁
1941	C₄H₅NO	Isoxazole, 5-methyl-	¹A	C₁
1942	C₄H₅NS	4-Methylthiazole	¹A	C₁
1943	C₅H₆O	2H-Pyran
1944	C₅H₆O	2-methylfuran	¹A	C₁
1945	C₅H₆O	2-methylfuran	¹A^'	C_s
1946	C₅H₆O	3-Methylfuran	¹A^'	C_s
1947	C₅H₆O	Pentadienal
1948	C₅H₆S	Thiophene, 2-methyl-	¹A^'	C_s
1949	C₅H₆S	Thiophene, 3-methyl-	¹A^'	C_s
1950	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1951	C₄H₆O₂	2,3-Butanedione	¹A_g	C_2h
1952	C₄H₆O₂	2,3-Butanedione	¹A	C₂
1953	C₄H₆O₂	2,3-Butanedione	¹A_g	C_i
1954	C₄H₆O₂	2-Propenoic acid, methyl ester	¹A	C₁
1955	C₄H₆O₂	Crotonic Acid	¹A^'	C_s
1956	C₄H₆OS	2,3-dihydrothiophene-2-ol	¹A	C₁
1957	C₄H₆OS	2,5-dihydrothiophene-3-ol	¹A	C₁
1958	C₄H₆OS	4,5-dihydrothiophene-2-ol	¹A	C₁
1959	C₄H₆OS	4,5-dihydrothiophene-3-ol	¹A	C₁
1960	C₄H₆OS	Dihydro-2-(3H)-thiophenone	¹A	C₁
1961	C₄H₆OS	Dihydro-3-(2H)-thiophenone	¹A	C₁
1962	C₄H₆OS	Vinyl sulfoxide	¹A^'	C_s
1963	CH₆N₄S	Carbonothioic dihydrazide	¹A	C₂
1964	C₂H₆N₂O₂	(E)-Azodioxymethane	¹A_g	C_2h
1965	C₂H₆N₂O₂	(E)-Azodioxymethane	¹A_G	C_i
1966	C₂H₆N₂O₂	Dimethylnitroamine	¹A	C₁
1967	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1968	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1969	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	¹A₁	C₁
1970	C₂H₆O₃S	Sulfurous acid, dimethyl ester	¹A^'	C₁
1971	C₄H₇NO	2-Pyrrolidinone	¹A	C₁
1972	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1973	C₄H₇NO	Methacrylamide	¹A	C₁
1974	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	¹A^'	C₁
1975	HCONH₂CN₂H₄	formamide aminomethanimine dimer	¹A	C₁
1976	C₃H₇ONO	Propyl nitrite	¹A^'	C_s
1977	C₃H₇ONO	Propyl nitrite	¹A	C₁
1978	CH₃CH(CH₃)ONO	Isopropyl nitrite	¹A	C₁
1979	CH₃CH(NH₂)COOH	Alanine	¹A	C₁
1980	CH₃NHCH₂COOH	Sarcosine	¹A	C₁
1981	NH₂CH₂CH₂COOH	β–alanine	¹A	C₁
1982	NH₂COOC₂H₅	Urethane	¹A	C₁
1983	C₅H₈O	2H-Pyran, 3,4-dihydro-	¹A	C₁
1984	C₅H₈O	Cyclopentanone	¹A	C₂
1985	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	¹A	C₁
1986	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1987	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	¹A	C₁
1988	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1989	NH₂CONHC₂H₅	Urea, ethyl-	¹A	C₁
1990	C₄H₈O₂	1,3-Dioxane	¹A^'	C_s
1991	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	¹A	C₁
1992	C₄H₈O₂	1,4-Dioxane	¹A_g	C_2h
1993	C₄H₈O₂	Ethene, 1,1-dimethoxy-	¹A₁	C_2v
1994	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1995	C₄H₈OS	s-Ethyl thioacetate	¹A	C₁
1996	C₃H₈O₃	1,2,3-Propanetriol	¹A	C₁
1997	C₃H₈O₂S	(Methylsulfonyl)ethane	¹A	C₁
1998	C₄H₉NO	Butanamide	¹A	C₁
1999	C₄H₉NO	Propanamide, 2-methyl-	¹A	C₁
2000	C₅H₁₀O	2-Butanone, 3-methyl-	¹A	C₁
2001	C₅H₁₀O	2H-Pyran, tetrahydro-	¹A^'	C₁
2002	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
2003	C₅H₁₀O	2-Pentanone	¹A^'	C_s
2004	C₅H₁₀O	2-Pentanone	¹A	C₁
2005	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
2006	C₅H₁₀O	Cyclopentanol	¹A	C₁
2007	C₅H₁₀O	Oxetane, 3,3-dimethyl-	¹A^'	C_s
2008	C₅H₁₀O	Pentanal	¹A^'	C₁
2009	C₅H₁₀S	2H-Thiopyran, tetrahydro-	¹A^'	C_s
2010	C₅H₁₀S	3-Ethylthio-1-propene	¹A^'	C₁
2011	C₅H₁₀S	Cyclopentanethiol	¹A	C₁
2012	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	¹A	C₁
2013	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	¹A	C₁
2014	C₄H₁₀O₂	1,1-Dimethoxyethane	¹A^'	C_s
2015	C₄H₁₀O₂	1,3-Butanediol	¹A	C₁
2016	C₄H₁₀O₂	1,4-Butanediol	¹A_g	C_2h
2017	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	¹A_g	C_2h
2018	C₄H₁₀OS	Diethyl sulfoxide	¹A	C₁
2019	C₄H₁₀S₂	1,4-Butanedithiol	¹A_g	C_2h
2020	C₄H₁₁NO	Diethylhydroxylamine	¹A^'	C_s
2021	C₅H₁₂O	1-Butanol, 2-methyl-	¹A	C₁
2022	C₅H₁₂O	1-Butanol, 3-methyl-	¹A^'	C_s
2023	C₅H₁₂O	1-Pentanol	¹A^'	C_s
2024	C₅H₁₂O	2-Butanol, 3-methyl-	¹A	C₁
2025	C₅H₁₂O	2-Pentanol	¹A	C₁
2026	C₅H₁₂O	3-Pentanol	¹A	C₁
2027	C₅H₁₂O	Butane, 1-methoxy-	¹A^'	C_s
2028	C₅H₁₂O	Propane, 1-ethoxy-	¹A^'	C_s
2029	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	¹A^'	C₁
2030	C₅H₁₂S	1-Butanethiol, 2-methyl-	¹A	C₁
2031	C₅H₁₂S	1-Butanethiol, 3-methyl-	¹A^'	C₁
2032	C₅H₁₂S	1-Pentanethiol	¹A^'	C₁
2033	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	¹A^'	C₁
2034	C₅H₁₂S	2-Butanethiol, 3-methyl-	¹A	C₁
2035	C₅H₁₂S	Butane, 1-(methylthio)-	¹A^'	C_s
2036	C₅H₁₂S	Ethyl propyl sulfide	¹A^'	C_s
2037	C₅H₁₂S	Propane, 2-(ethylthio)-	¹A^'	C₁
2038	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	¹A^'	C₁
2039	C₄F₂	difluorobutadiyne
2040	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
2041	CF₃CN	Acetonitrile, trifluoro-	¹A₁	C_3v
2042	CF₃CN⁺	Acetonitrile, trifluoro- cation	²A^'	C_s
2043	B₂F₄	Diboron tetrafluoride	¹A_G	D_2h
2044	B₂F₄	Diboron tetrafluoride	¹A₁	D_2d
2045	B₂F₄	Diboron tetrafluoride	¹A	D₂
2046	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
2047	B₂Cl₄	Diboron tetrachloride	¹A	C₁
2048	C₂F₄	Tetrafluoroethylene	¹A_g	D_2h
2049	C₂F₄⁺	Tetrafluoroethylene cation	²B_3u	D_2h
2050	C₂ClF₃	Ethene, chlorotrifluoro-
2051	C₂Cl₄	Tetrachloroethylene	¹A_g	D_2h
2052	C₂Br₄	tetrabromoethene
2053	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
2054	SiF₅^-	silicon pentafluoride anion
2055	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
2056	AsF₅	Arsenic pentafluoride	¹A₁^'	D_3h
2057	PCl₅	Phosphorus pentachloride	¹A₁^'	C_4v
2058	SF₅	Sulfur pentafluoride	²A₁	C_4v
2059	SF₅	Sulfur pentafluoride	²A^'	C_s
2060	BrF₅	bromine pentafluoride	¹A₁	C_4v
2061	ClF₅	chlorinepentafluoride	¹A₁	C_4v
2062	ClF₅	chlorinepentafluoride	¹A₁^'	D_3h
2063	CF₃CHO	trifluoroacetaldehyde	¹A^'	C_s
2064	CCl₃CHO	trichloroacetaldehyde	¹A^'	C_s
2065	CF₃CH₂F	1,1,1,2-tetrafluoroethane	¹A^'	C_s
2066	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
2067	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	¹A^'	C_s
2068	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
2069	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
2070	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
2071	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
2072	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	¹A	C₁
2073	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	¹A^'	C_s
2074	C₄H₈Cl₂	1,4-Dichlorobutane	¹A_g	C_2h
2075	C₄H₈Cl₂	Butane, 1,2-dichloro-	¹A	C₁
2076	C₄H₈Cl₂	Butane, 1,3-dichloro-	¹A	C₁
2077	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	¹A_g	C_i
2078	C₄H₉ClO	1-Chloro-2-ethoxyethane	¹A^'	C_s
2079	C₅H₁₁Cl	Pentane, 1-chloro-	¹A^'	C_s
2080	C₄H₈O₂	Butanoic acid	¹A	C₁
2081	C₆H₅CH₂	benzyl radical	²B₁	C_s
2082	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
2083	C₇H₇	cycloheptatrienyl radical	²A^"	C_s
2084	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
2085	C₆H₅CH₃	toluene	¹A^'	C_s
2086	C₇H₈	Norbornadiene	¹A₁	C_2v
2087	C₇H₁₂	Norbornane	¹A₁	C_2v
2088	C₇H₁₄	cycloheptane	¹A	C₂
2089	C₇H₁₆	2-methylhexane	¹A	C₁
2090	C₇H₁₆	3-methylhexane	¹A	C₁
2091	C₇H₁₆	heptane	¹A₁	C_2v
2092	CH(CN)₃	tricyanomethane
2093	HN=C=C(CN)₂	Dicyanoketenimine
2094	C₆H₇N	2-Methylpyridine	¹A^'	C_s
2095	C₆H₅NH₂	aniline	¹A^'	C_s
2096	C₆H₁₃N	2-Methylpiperidine	¹A	C₁
2097	C₆H₁₃N	cyclohexanamine	¹A	C₁
2098	C₆H₁₅N	triethylamine	¹A	C₃
2099	N₂O₅	Dinitrogen pentoxide	¹A^'	C_s
2100	N₂O₅	Dinitrogen pentoxide		C₂
2101	C₄H₂O₃	Maleic Anhydride	¹A₁	C_2v
2102	C₅H₄O₂	4-Cyclopentene-1,3-dione	¹A₁	C_2v
2103	C₅H₄O₂	furfural	¹A^'	OCCO cis
2104	C₅H₄O₂	furfural	¹A^'	OCCO trans
2105	C₆H₅O	phenoxy radical	²B₁	C_2v
2106	C₅H₅NO	2(1H)-Pyridinone	¹A^'	C_s
2107	C₅H₅NO	2(3H)-Pyridinone	¹A	C_s
2108	C₅H₅NO	2(5H)-Pyridinone	¹A^'	C_s
2109	C₅H₅NO	2-Pyridinol	¹A^'	C_s
2110	C₅H₅NO	3(2H)-Pyridinone	¹A^'	C_s
2111	C₅H₅NO	3(4H)-Pyridinone	¹A^'	C₁
2112	C₅H₅NO	3(6H)-Pyridinone	¹A^'	C_s
2113	C₅H₅NO	3-Pyridinol	¹A^'	C_s
2114	C₅H₅NO	4(1H)-Pryidinone	¹A^'	C_s
2115	C₅H₅NO	4(3H)-Pryidinone	¹A^'	C_s
2116	C₅H₅NO	4-Pyridinol	¹A^'	C_s
2117	C₆H₅OH	phenol	¹A^'	C_s
2118	C₆H₆O	2,4-Cyclohexadienone	¹A	C_s
2119	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
2120	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
2121	C₇H₁₀	Norbornene
2122	C₆H₁₀O	cyclohexanone	¹A^'	C_s
2123	C₆H₁₂O	Oxepane
2124	C₃H₇OC₃H₇	di-n-propyl ether	¹A₁	C_2v
2125	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
2126	F₂CCCF₂	tetrafluoroallene
2127	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
2128	CF₃COCl	trifluoroacetyl chloride	¹A^'	C_s
2129	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
2130	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
2131	SeF₆	Selenium hexafluoride	¹A_1G	O_h
2132	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
2133	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
2134	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	¹A	C₁
2135	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	¹A^'	C_s
2136	C₆H₅F	Fluorobenzene	¹A₁	C_2v
2137	C₆H₅Cl	chlorobenzene	¹A₁	C_2v
2138	C₆H₅Br	bromobenzene	¹A₁	C_2v
2139	C₈H₆	Calicene	¹A₁	C_2v
2140	C₆H₅CCH	phenylacetylene	¹A₁	C_2v
2141	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
2142	C₈H₆	Pentalene	¹A_g	C_2h
2143	C₆H₅CHCH₂	Styrene	¹A^'	C_s
2144	C₈H₈	cubane	¹A_1G	O_h
2145	C₈H₈	cyclooctatetraene	¹A₁	D_2d
2146	C₆H₅CH₂CH₃	Ethylbenzene	¹A^'	C_s
2147	CH₃C₆H₄CH₃	meta-xylene	¹A^'	C_s
2148	CH₃C₆H₄CH₃	paraxylene	¹A_g	C_2h
2149	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
2150	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁	D₃
2151	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
2152	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D₃
2153	C₈H₁₈	Octane	¹A_G	C_2h
2154	C₆H₅CN	phenyl cyanide	¹A₁	C_2v
2155	C₆H₁₂N₂	Triethylenediamine	¹A₁^'	D_3h
2156	C₆H₁₂N₂	Triethylenediamine	¹A₁	D₃
2157	S₄N₄	Tetrasulfur tetranitride
2158	S₈	Octasulfur	¹A₁	D_4d
2159	C₆H₄O₂	parabenzoquinone	¹A_g	D_2h
2160	C₄H₄N₂O₂	Uracil	¹A^'	C_s
2161	C₆H₅CHO	benzaldehyde	¹A^'	C_s
2162	C₆H₅OCH₃	Anisole	¹A^'	C_s
2163	C₆H₁₂O₂	Methyl pivalate	¹A	C₁
2164	C₆H₁₂O₂	Hexanoic acid	¹A₁	C_s
2165	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
2166	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
2167	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
2168	CF₃CF₂Cl	pentafluorochloroethane	¹A^'	C_s
2169	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	¹A_g	C_2h
2170	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	¹A^'	C_s
2171	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	¹A	C₁
2172	C₂F₆	hexafluoroethane	¹A_1g	D_3d
2173	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
2174	C₆H₄F₂	orthodifluorobenzene	¹A₁	C_2v
2175	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
2176	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
2177	C₆H₄Cl₂	1,4-dichlorobenzene
2178	C₆H₅NO	nitrosobenzene	¹A^'	C_s
2179	C₉H₈	Indene	¹A^'	C_s
2180	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
2181	C₉H₁₂	n-propyl benzene	¹A^'	C_s
2182	C(CN)₄	tetracyanomethane	¹A₁	T_d
2183	C₅H₄N₄	purine	¹A	C_s
2184	C₈H₇N	Indole	¹A^'	C_s
2185	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
2186	C₆H₅NO₂	Nitrobenzene	¹A₁	C_2v
2187	C₆H₅COOH	benzoic acid	¹A^'	C_s
2188	CH₃COC₆H₅	acetophenone	¹A	C₁
2189	CH₃COC₆H₅	acetophenone	¹A^'	C_s
2190	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	¹A₁^'	D_3h
2191	C₃F₆	hexafluoropropene
2192	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
2193	C₈H₁₈O	1-Octanol
2194	C₁₀H₈	Azulene	¹A₁	C_2v
2195	C₁₀H₈	Azulene	¹A^'	C_s
2196	C₁₀H₈	naphthalene	¹A_g	D_2h
2197	C₁₀H₁₀	bullvalene
2198	C₁₀H₁₆	adamantane	¹A₁	T_d
2199	C₆N₄	Tetracyanoethylene	¹A_G	D_2h
2200	C₆N₄^-	tetracyanoethylene anion	²B_2G	D_2h
2201	C₄F₆	perfluorobutadiene	¹A_g	C_2h
2202	C₄F₆	perfluorobutadiene	¹A	C₂
2203	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	¹A^'	C_s
2204	C₃F₈	perfluoropropane	¹A₁	C_2v
2205	Fe(C₅H₅)₂	ferrocene	¹A₁^'	D_5h
2206	Fe(C₅H₅)₂	ferrocene	¹A_1g	D_5d
2207	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
2208	C₁₂H₈	Acenaphthylene	¹A₁	C_2v
2209	C₁₂H₈	biphenylene	¹A_g	D_2h
2210	C₁₂H₁₀	biphenyl	¹A	D₂
2211	C₁₂H₁₀	Heptalene	¹A	C₂
2212	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
2213	C₆F₆	hexafluorobenzene	¹A_1G	D_6h
2214	S₂F₁₀	disulphur decafluoride
2215	C₁₃H₁₀	Fluorene
2216	C₁₄H₁₀	Anthracene	¹A_g	D_2h
2217	C₁₄H₁₀	Phenanthrene	¹A₁	C_2v
2218	C₁₄H₁₄	Bibenzyl	¹A	C₂
2219	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
2220	C₆H₅COC₆H₅	benzophenone	¹A	C₂
2221	C₁₆H₁₀	Pyrene	¹A_g	D_2h
2222	C₁₉H₁₆	Triphenylmethane	¹A	C₃
2223	C₂₄H₁₂	Coronene	¹A_1G	D_6h
2224	C₆₀	Buckminsterfullerene	¹A_G	I_h

Species NOT done yet

count	Species	Name	file name
1	K	Potassium atom	k
2	K^-	Potassium atom anion	k-
3	K⁺	Potassium atom cation	k+
4	KH	Potassium hydride	kh
5	KH⁺	Potassium hydrogen cation	kh+
6	ScH⁺	Scandium monohydride cation	sch+
7	ScH₃	Scandium trihydride	sch3
8	BH₄	borohydride	bh4
9	Sn	Tin atom	sn
10	Sn⁺	Tin cation	sn+
11	GeH⁺	Germaniun monohyrdide cation	geh+
12	CH₄^-	Methane anion	ch4-
13	SnH₄	Stannane	snh4
14	Sb	Antimony atom	sb
15	SbH	Antimony monohydride	sbh
16	NH₃^-	Ammonia anion	nh3-
17	SbH₃	Stibine	sbh3
18	Cr	Chromium atom	cr
19	Te	Tellurium atom	te
20	Te⁺	Tellurium atom cation	te+
21	TeH	Telluryl radical	teh
22	H₂Te	Hydrogen Telluride	h2te
23	Mn	Manganese atom	mn
24	I	Iodine atom	iodine
25	I^-	Iodine atom anion	iodine-
26	I⁺	Iodine atom cation	iodine+
27	HI	Hydrogen iodide	hi
28	HI⁺	Hydrogen iodide cation	hi+
29	H₂I⁺	Iodonium	h2i+
30	Xe	Xenon atom	xe
31	XeH⁺	Xenon, protonated	xeh+
32	H₂Ar	H2 Ar dimer	h2ar
33	Co	Cobalt atom	cobalt
34	Ni	Nickel atom	ni
35	LiK	Lithium Potassium	lik
36	NaK	Sodium Potassium	nak
37	NaK⁺	Sodium Potassium diatomic cation	nak+
38	K₂	Potassium diatomic	k2
39	BeMg	Beryllium Magnesium	bemg
40	BAl	Boron Aluminum	bal
41	BGa	Boron Gallium	bga
42	AlGa	Aluminum Gallium	alga
43	CH₂BH	methyleneborane	ch2bh
44	C₂H₃^-	vinyl anion	c2h3-
45	CH₃BH₂	methylborane	ch3bh2
46	BP	Boron monophosphide	bp
47	GaP	Gallium monophosphide	gap
48	SbN	Antimony nitride	sbn
49	CH₃NH₂⁺	methyl amine cation	ch3nh2+
50	CH₃PH₃⁺	methyl phosphine, protonated	ch3ph3+
51	KO	Potassium monoxide	ko
52	KO⁺	Potassium monoxide cation	ko+
53	GeO⁺	Germanium monoxide cation	geo+
54	GeS	Germanium monosulfide	ges
55	TeO	Tellurium monoxide	teo
56	Te₂	Tellurium diatomic	te2
57	KOH	Potassium hydroxide	koh
58	COH⁺	Carbon Monoxide, protonated	coh+
59	NOH	Hydroxyimidogen	noh
60	NOH⁺	O-protonated nitric oxide	noh+
61	H₂NO	nitroxide	h2no
62	CH₃O⁺	Methoxy cation	ch3o+
63	H₂CSH⁺	Thioformaldehyde, protonated	h2csh+
64	CH₃SH⁺	Methanethiol cation	ch3sh+
65	KF	Potassium Fluoride	kf
66	KCl	Potassium Chloride	kcl
67	KBr	Potassium Bromide	kbr
68	LiI	Lithium Iodide	lii
69	NaI	Sodium Iodide	nai
70	KI	Potassium Iodide	ki
71	TiCl	Titanium Monochloride	ticl
72	ZnF⁺	Zinc monofluoride cation	znf+
73	GaF⁺	Gallium monofluoride cation	gaf+
74	GaCl⁺	Gallium monochloride cation	gacl+
75	AlI	Aluminum monoiodide	ali
76	SbF	Antimony monofluoride	sbf
77	SbCl	Antimony monochloride	sbcl
78	IO	Iodine monoxide	io
79	IF	Iodine monofluoride	if
80	ICl	Iodine monochloride	icl
81	IBr	Iodine monobromide	ibr
82	I₂	Iodine diatomic	i2
83	I₂⁺	Iodine diatomic cation	i2+
84	HOI	Hypoiodous acid	hoi
85	CH₃I	methyl iodide	ch3i
86	SiH₃I	Silyl Iodide	sih3i
87	Ar₂⁺	Argon diatomic cation	ar2+
88	C₃H₃	cyclopropenyl radical	cpr
89	KCN	Potassium cyanide	kcn
90	HCNN	diazomethyl radical	hcnn
91	HNCNH₂⁺	diiminomethane, protonated	hncnh2+
92	NCNH₃⁺	Cyanamide, protonated	ncnh3+
93	NH₂BHNH₂	diaminoborane	nh2bhnh2
94	C₂H₅NH⁺	Protonated Aziridine	c2h5nh+
95	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
96	(CH₃)₂NH₂⁺	dimethylammonium cation	dmam
97	CH₃CH₂NH₃⁺	ethylamine, protonated	pea
98	SCTe	Carbon sulfide Telluride	scte
99	SeO₂⁺	Selenium dioxide cation	seo2+
100	TeO₂	Tellurium Dioxide	teo2
101	CS₂H⁺	Carbon disulfide, protonated	cs2h+
102	HNNO	nitrosoazane	hnno
103	HNNO⁺	Nitrous oxide, N-protonated	hnno+
104	NNOH⁺	Nitrous Oxide, O-protonated	nnoh+
105	CH₂BOH	hydroxy(methylene)borane	ch2boh
106	CH₃BO	Borane, methyloxo-	ch3bo
107	CH₂NOH	formaldoxime	ch2noh
108	CH₃NO	nitrosomethane	ch3no
109	CNOH₃	1,2-oxaziridine	cnoh3
110	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
111	CH₃CHOH	1-hydroxy-ethyl radical	ch3choh
112	CH₃CHOH⁺	acetaldehyde, protonated	ch3choh+
113	ICN	Cyanogen iodide	icn
114	INO	Nitrosyl iodide	ino
115	SiF₂⁺	Silicon difluoride cation	sif2+
116	I₃^-	triiodide	i3-
117	HFCO⁺	formyl fluoride cation	hfco+
118	CHCl₂	dichloromethyl radical	chcl2
119	CH₂FI	fluoroiodomethane	ch2fi
120	CH₂ClI	chloroiodomethane	ch2cli
121	CH₂BrI	bromoiodomethane	ch2bri
122	CH₂I₂	Diiodomethane	ch2i2
123	C₂H₃I	Vinyl iodide	c2h3i
124	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
125	C₂H₅I	Ethyl iodide	c2h5i
126	XeF₂	Xenon difluoride	xef2
127	B₄H₁₀	Tetraborane(10)	b4h10
128	B(CH₃)₃	trimethylborane	bme3
129	CH₃N₃	methyl azide	ch3n3
130	CH₃NHN₂⁺	methyl azide, protonated	ch3nhn2+
131	C₃H₇N	Azetidine	azet
132	P(CH₃)₃	trimethylphosphine	tmp
133	Li₂O₂	dilithium dioxide	li2o2
134	Na₂O₂	disodium dioxide	na2o2
135	K₂O₂	dipotassium dioxide	k2o2
136	TeO₃	Tellurium trioxide	teo3
137	NH₂NO₂	nitramide	nh2no2
138	C₂H₂CO	cyclopropenone	c2h2co
139	HCCCHO	2-propynal	hcccho
140	H₂CS₃	thiocarbonic acid	h2cs3
141	NH₂COOH₂⁺	Carbamic acid, O-protonated	nh2cooh2+
142	NH₃COOH⁺	protonated Carbamic acid	nh3cooh+
143	CH₃COCH₂	Acetonyl radical	ch3coch2
144	HCONHCH₃	N-methylformamide	nmfa
145	CH₅N₂O⁺	urea, N-protonated	ch4n2o+
146	H₂NCOHNH₂⁺	urea, protonated	ureah+
147	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
148	Na₂F₂	Sodium Fluoride Dimer	na2f2
149	ClONO	chlorine nitrite	clono
150	AlBr₃	Aluminum Bromide	albr3
151	ClO₃	Chlorine trioxide	clo3
152	BrO₃^-	Bromate anion	bro3-
153	SiF₃	Silicon trifluoride radical	sif3
154	SiF₃⁺	Silicon trifluoride cation	sif3+
155	SbF₃	Antimony Trifluoride	sbf3
156	AsCl₃	Arsenous trichloride	ascl3
157	SbCl₃	Antimony Trichloride	sbcl3
158	AsBr₃	Arsenic tribromide	asbr3
159	NI₃	Nitrogen triiodide	ni3
160	PI₃	Phosphorus triiodide	pi3
161	IF₃	iodone trifluoride	if3
162	CHF₂I	difluoroiodomethane	chf2i
163	CHFClI	fluorochloroiodomethane	chfcli
164	CHCl₂I	dichloroiodomethane	chcl2i
165	CHI₃	Iodoform	chi3
166	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
167	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
168	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	ch2fch2cl
169	CH₂CFCH₃	2-fluoropropene	2fpro
170	CH₂ClCH₂OH	2-Chloroethanol	ch2clch2oh
171	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	ch2clch2oh2+
172	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
173	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
174	C₂H₃N₃	1H-1,2,4-Triazole	c288880
175	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
176	C₄H₆N⁺	pyrrole, alpha-protonated	appyr
177	C₄H₆N⁺	pyrrole, protonated	ppyr
178	NH(C₂H₅)₂	diethylamine	dea
179	MgCO₃	Magnesium Carbonate	mgco3
180	BeCO₃	Beryllium Carbonate	beco3
181	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
182	C₄H₈O	Furan, tetrahydro-	thf
183	C₄H₁₀O	Methyl propyl ether	meopr
184	C₄H₁₀O⁺	1-Butanol cation	butanol1+
185	CCl₄⁺	Carbon tetrachloride cation	ccl4+
186	CF₃I	trifluoroiodomethane	cf3i
187	CCl₃I	trichloroiodomethane	ccl3i
188	CFBr₃	fluorotribromomethane	cfbr3
189	CFClBrI	fluorochlorobromoiodomethane	cfclbri
190	CF₂I₂	difluorodiiodomethane	cf2i2
191	CCl₂I₂	dichlorodiiodomethane	ccl2i2
192	CBr₃I	tribromoiododmethane	cbr3i
193	CI₄	tetraiodomethane	ci4
194	SiI₄	silicon tetraiodide	sii4
195	ClOF₃	Chlorine trifluoride oxide	clof3
196	CHClCCHCl	1,3-dichloroallene	chclcchcl
197	PF₃CH₂	phosphorane, trifluoromethylene-	pf3ch2
198	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
199	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
200	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
201	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
202	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
203	C₄H₉F	1-fluorobutane	butaf1
204	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
205	XeF₄	Xenon tetrafluoride	xef4
206	CF₃PH₂	phosphine, (trifluoromethyl)-	cf3ph2
207	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
208	C₆H₆⁺	Benzene cation	c6h6+
209	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
210	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
211	C₅H₅N	E-2,4-pentadienenitrile	bdcn
212	Li₂CO₃	Lithium Carbonate	li2co3
213	C₄H₄O₂	2(5H)-Furanone	furanone
214	C₂H₅NO₃	Nitric acid, ethyl ester	c625581
215	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
216	CF₂CCl₂	difluorodichloroethylene	cf2ccl2
217	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	cfclcclf
218	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	cfclcfcl
219	C₂FCl₃	fluorotrichloroethene	c2fcl3
220	SOF₄	Sulfur tetrafluoride oxide	sof4
221	SF₅⁺	pentafluoro sulfur cation	sf5+
222	SbCl₅	Antimony pentachloride	sbcl5
223	IF₅	pentafluoroiodine	if5
224	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	chfclchclf
225	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	chfclchfcl
226	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	c2h2cl2f2
227	C₄H₃ClO	Furan, 2-chloro	fur2cl
228	C₄H₃ClO	Furan,3-chloro	fur3cl
229	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
230	C₇H₈	cycloheptatriene	cht
231	C₇H₈	Quadricyclane	qucy
232	C₆H₅SH	Benzenethiol	phsh
233	C₅H₈O₂	Acetylacetone	acac
234	C₄H₈O₂S	Sulfolane	sulfolane
235	CH(C₂H₃)₃	trivinyl methane	tvm
236	C₆H₁₂O	hexanal	c6h12o
237	CF₃COO^-	trifluoro acetate anion	cf3coo-
238	PF₆	Hexafluorophosphate neutral	pf6
239	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
240	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
241	C₈H₁₆	cyclooctane	cyclooct
242	C₄O₄^--	squarate dianion	c4o4--
243	C₅H₉NO₂	Proline	proline
244	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
245	IF₇	Iodine heptafluoride	if7
246	C₆H₄F₂	metadifluorobenzene	mdfb
247	C₆H₄Cl₂	1,2-dichlorobenzene	dcb12
248	C₉H₂₀	Nonane	nonane
249	C₁₀H₂₂	Decane	decane
250	Fe(CO)₅	Iron pentacarbonyl	ipc
251	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
252	C₁₈H₁₂	Tetracene	tetracene

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