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	hartrees
Energy at 0K	-308.346473
Energy at 298.15K	-308.354628
HF Energy	-307.523801
Nuclear repulsion energy	325.845349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3047	0.00
2	A₁	1869	1726	0.00
3	A₁	1314	1214	0.00
4	A₁	954	881	0.00
5	A₁	824	761	0.00
6	A₁	195	180	0.00
7	A₂	3263	3014	0.00
8	A₂	1465	1353	0.00
9	A₂	1073	991	0.00
10	A₂	982	907	0.00
11	A₂	246	228	0.00
12	B₁	3272	3023	0.00
13	B₁	1569	1449	0.00
14	B₁	1111	1027	0.00
15	B₁	1041	962	0.00
16	B₁	707	653	0.00
17	B₁	265	245	0.00
18	B₂	3285	3034	42.02
19	B₂	1825	1686	1.79
20	B₂	1312	1212	1.11
21	B₂	738	682	88.10
22	B₂	309	285	1.18
23	E	3292	3041	69.72
23	E	3292	3041	69.72
24	E	3267	3017	1.70
24	E	3267	3017	1.70
25	E	1843	1702	1.72
25	E	1843	1702	1.72
26	E	1521	1405	0.12
26	E	1521	1405	0.12
27	E	1327	1226	0.65
27	E	1327	1226	0.65
28	E	1067	986	0.01
28	E	1067	986	0.01
29	E	1027	949	3.04
29	E	1027	949	3.04
30	E	870	804	20.74
30	E	870	804	20.74
31	E	676	625	19.98
31	E	676	625	19.98
32	E	405	374	1.04
32	E	405	374	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.664	1.545	0.393
C2	-0.664	1.545	0.393
C3	0.664	-1.545	0.393
C4	-0.664	-1.545	0.393
C5	1.545	0.664	-0.393
C6	-1.545	0.664	-0.393
C7	1.545	-0.664	-0.393
C8	-1.545	-0.664	-0.393
H9	1.171	2.301	0.980
H10	-1.171	2.301	0.980
H11	1.171	-2.301	0.980
H12	-1.171	-2.301	0.980
H13	2.301	1.171	-0.980
H14	-2.301	1.171	-0.980
H15	2.301	-1.171	-0.980
H16	-2.301	-1.171	-0.980

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3286	3.0897	3.3632	1.4722	2.5045	2.5045	3.2214	1.0831	2.0701	3.9231	4.3015	2.1682	3.2886	3.4552	4.2488
C2	1.3286		3.3632	3.0897	2.5045	1.4722	3.2214	2.5045	2.0701	1.0831	4.3015	3.9231	3.2886	2.1682	4.2488	3.4552
C3	3.0897	3.3632		1.3286	2.5045	3.2214	1.4722	2.5045	3.9231	4.3015	1.0831	2.0701	3.4552	4.2488	2.1682	3.2886
C4	3.3632	3.0897	1.3286		3.2214	2.5045	2.5045	1.4722	4.3015	3.9231	2.0701	1.0831	4.2488	3.4552	3.2886	2.1682
C5	1.4722	2.5045	2.5045	3.2214		3.0897	1.3286	3.3632	2.1682	3.4552	3.2886	4.2488	1.0831	3.9231	2.0701	4.3015
C6	2.5045	1.4722	3.2214	2.5045	3.0897		3.3632	1.3286	3.4552	2.1682	4.2488	3.2886	3.9231	1.0831	4.3015	2.0701
C7	2.5045	3.2214	1.4722	2.5045	1.3286	3.3632		3.0897	3.2886	4.2488	2.1682	3.4552	2.0701	4.3015	1.0831	3.9231
C8	3.2214	2.5045	2.5045	1.4722	3.3632	1.3286	3.0897		4.2488	3.2886	3.4552	2.1682	4.3015	2.0701	3.9231	1.0831
H9	1.0831	2.0701	3.9231	4.3015	2.1682	3.4552	3.2886	4.2488		2.3425	4.6016	5.1635	2.5280	4.1437	4.1437	5.2867
H10	2.0701	1.0831	4.3015	3.9231	3.4552	2.1682	4.2488	3.2886	2.3425		5.1635	4.6016	4.1437	2.5280	5.2867	4.1437
H11	3.9231	4.3015	1.0831	2.0701	3.2886	4.2488	2.1682	3.4552	4.6016	5.1635		2.3425	4.1437	5.2867	2.5280	4.1437
H12	4.3015	3.9231	2.0701	1.0831	4.2488	3.2886	3.4552	2.1682	5.1635	4.6016	2.3425		5.2867	4.1437	4.1437	2.5280
H13	2.1682	3.2886	3.4552	4.2488	1.0831	3.9231	2.0701	4.3015	2.5280	4.1437	4.1437	5.2867		4.6016	2.3425	5.1635
H14	3.2886	2.1682	4.2488	3.4552	3.9231	1.0831	4.3015	2.0701	4.1437	2.5280	5.2867	4.1437	4.6016		5.1635	2.3425
H15	3.4552	4.2488	2.1682	3.2886	2.0701	4.3015	1.0831	3.9231	4.1437	5.2867	2.5280	4.1437	2.3425	5.1635		4.6016
H16	4.2488	3.4552	3.2886	2.1682	4.3015	2.0701	3.9231	1.0831	5.2867	4.1437	4.1437	2.5280	5.1635	2.3425	4.6016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	126.735	C1	C2	H10	117.908
C1	C5	C7	126.735	C1	C5	H13	115.254
C2	C1	C5	126.735	C2	C1	H9	117.908
C2	C6	C8	126.735	C2	C6	H14	115.254
C3	C4	C8	126.735	C3	C4	H12	117.908
C3	C7	C5	126.735	C3	C7	H15	115.254
C4	C3	C7	126.735	C4	C3	H11	117.908
C4	C8	C6	126.735	C4	C8	H16	115.254
C5	C1	H9	115.254	C5	C7	H15	117.908
C6	C2	H10	115.254	C6	C8	H16	117.908
C7	C3	H11	115.254	C7	C5	H13	117.908
C8	C4	H12	115.254	C8	C6	H14	117.908

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: CID/6-31G*

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 C8H8 (cyclooctatetraene)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)