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	hartrees
Energy at 0K	-306.388402
Energy at 298.15K	-306.394521
HF Energy	-306.388402
Nuclear repulsion energy	314.456300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3414	3088	16.39
2	A₁	3362	3041	25.56
3	A₁	3344	3024	20.65
4	A₁	1852	1675	4.80
5	A₁	1721	1556	1.62
6	A₁	1606	1452	9.05
7	A₁	1549	1401	13.17
8	A₁	1279	1157	0.01
9	A₁	1176	1063	0.72
10	A₁	1159	1048	0.14
11	A₁	996	900	5.61
12	A₁	875	791	0.51
13	A₁	585	529	0.35
14	A₂	1080	977	0.00
15	A₂	1039	940	0.00
16	A₂	982	888	0.00
17	A₂	844	764	0.00
18	A₂	633	573	0.00
19	A₂	325	294	0.00
20	B₁	1014	917	12.92
21	B₁	838	758	135.14
22	B₁	805	728	1.71
23	B₁	391	354	3.27
24	B₁	262	237	16.15
25	B₂	3383	3059	3.80
26	B₂	3354	3034	53.79
27	B₂	3328	3010	0.63
28	B₂	1821	1646	2.57
29	B₂	1577	1426	6.80
30	B₂	1422	1286	5.08
31	B₂	1373	1242	8.86
32	B₂	1165	1053	3.08
33	B₂	1130	1022	0.03
34	B₂	956	864	1.07
35	B₂	705	637	0.44
36	B₂	455	411	4.98

Atom	y (Å)	z (Å)
C1	1.430	-0.610
C2	0.675	-1.838
C3	-0.675	-1.838
C4	-1.430	-0.610
C5	-0.663	2.032
C6	0.663	2.032
C7	0.711	0.518
C8	-0.711	0.518
H9	2.504	-0.635
H10	1.205	-2.771
H11	-1.205	-2.771
H12	-2.504	-0.635
H13	-1.420	2.791
H14	1.420	2.791

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.4408	2.4371	2.8600	3.3711	2.7513	1.3377	2.4202	1.0740	2.1729	3.4083	3.9338	4.4373	3.4011
C2	1.4408		1.3508	2.4371	4.0948	3.8698	2.3559	2.7334	2.1886	1.0738	2.0999	3.3991	5.0807	4.6881
C3	2.4371	1.3508		1.4408	3.8698	4.0948	2.7334	2.3559	3.3991	2.0999	1.0738	2.1886	4.6881	5.0807
C4	2.8600	2.4371	1.4408		2.7513	3.3711	2.4202	1.3377	3.9338	3.4083	2.1729	1.0740	3.4011	4.4373
C5	3.3711	4.0948	3.8698	2.7513		1.3269	2.0450	1.5149	4.1404	5.1544	4.8341	3.2401	1.0715	2.2172
C6	2.7513	3.8698	4.0948	3.3711	1.3269		1.5149	2.0450	3.2401	4.8341	5.1544	4.1404	2.2172	1.0715
C7	1.3377	2.3559	2.7334	2.4202	2.0450	1.5149		1.4223	2.1312	3.3264	3.8071	3.4153	3.1157	2.3809
C8	2.4202	2.7334	2.3559	1.3377	1.5149	2.0450	1.4223		3.4153	3.8071	3.3264	2.1312	2.3809	3.1157
H9	1.0740	2.1886	3.3991	3.9338	4.1404	3.2401	2.1312	3.4153		2.5003	4.2807	5.0075	5.2086	3.5929
H10	2.1729	1.0738	2.0999	3.4083	5.1544	4.8341	3.3264	3.8071	2.5003		2.4109	4.2807	6.1509	5.5665
H11	3.4083	2.0999	1.0738	2.1729	4.8341	5.1544	3.8071	3.3264	4.2807	2.4109		2.5003	5.5665	6.1509
H12	3.9338	3.3991	2.1886	1.0740	3.2401	4.1404	3.4153	2.1312	5.0075	4.2807	2.5003		3.5929	5.2086
H13	4.4373	5.0807	4.6881	3.4011	1.0715	2.2172	3.1157	2.3809	5.2086	6.1509	5.5665	3.5929		2.8399
H14	3.4011	4.6881	5.0807	4.4373	2.2172	1.0715	2.3809	3.1157	3.5929	5.5665	6.1509	5.2086	2.8399

All results from a given calculation for C₈H₆ (benzocyclobutadiene)

using model chemistry: HF/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C8H6 (benzocyclobutadiene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₈H₆ (benzocyclobutadiene)