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	hartrees
Energy at 0K	-308.112325
Energy at 298.15K	-308.120129
HF Energy	-307.404657
Nuclear repulsion energy	321.090220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	3030	0.00
2	A₁	1706	1632	0.00
3	A₁	1283	1228	0.00
4	A₁	904	865	0.00
5	A₁	780	746	0.00
6	A₁	190	181	0.00
7	A₂	3128	2993	0.00
8	A₂	1433	1371	0.00
9	A₂	970	928	0.00
10	A₂	955	914	0.00
11	A₂	228	218	0.00
12	B₁	3137	3001	0.00
13	B₁	1495	1431	0.00
14	B₁	1070	1024	0.00
15	B₁	948	907	0.00
16	B₁	666	637	0.00
17	B₁	242	232	0.00
18	B₂	3153	3017	54.80
19	B₂	1666	1594	2.26
20	B₂	1268	1214	0.63
21	B₂	706	675	91.22
22	B₂	298	285	1.57
23	E	3159	3023	84.22
23	E	3159	3023	84.22
24	E	3131	2996	3.31
24	E	3131	2996	3.31
25	E	1679	1606	0.74
25	E	1679	1606	0.74
26	E	1471	1407	0.07
26	E	1471	1407	0.07
27	E	1293	1237	0.19
27	E	1293	1237	0.19
28	E	988	945	2.27
28	E	988	945	2.27
29	E	965	923	2.27
29	E	965	923	2.27
30	E	829	793	21.77
30	E	829	793	21.77
31	E	652	624	18.14
31	E	652	624	18.14
32	E	366	350	2.05
32	E	366	350	2.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	1.560	0.408
C2	-0.681	1.560	0.408
C3	0.681	-1.560	0.408
C4	-0.681	-1.560	0.408
C5	1.560	0.681	-0.408
C6	-1.560	0.681	-0.408
C7	1.560	-0.681	-0.408
C8	-1.560	-0.681	-0.408
H9	1.195	2.309	1.020
H10	-1.195	2.309	1.020
H11	1.195	-2.309	1.020
H12	-1.195	-2.309	1.020
H13	2.309	1.195	-1.020
H14	-2.309	1.195	-1.020
H15	2.309	-1.195	-1.020
H16	-2.309	-1.195	-1.020

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3611	3.1203	3.4043	1.4874	2.5416	2.5416	3.2721	1.0951	2.1100	3.9506	4.3428	2.1958	3.3327	3.5041	4.3086
C2	1.3611		3.4043	3.1203	2.5416	1.4874	3.2721	2.5416	2.1100	1.0951	4.3428	3.9506	3.3327	2.1958	4.3086	3.5041
C3	3.1203	3.4043		1.3611	2.5416	3.2721	1.4874	2.5416	3.9506	4.3428	1.0951	2.1100	3.5041	4.3086	2.1958	3.3327
C4	3.4043	3.1203	1.3611		3.2721	2.5416	2.5416	1.4874	4.3428	3.9506	2.1100	1.0951	4.3086	3.5041	3.3327	2.1958
C5	1.4874	2.5416	2.5416	3.2721		3.1203	1.3611	3.4043	2.1958	3.5041	3.3327	4.3086	1.0951	3.9506	2.1100	4.3428
C6	2.5416	1.4874	3.2721	2.5416	3.1203		3.4043	1.3611	3.5041	2.1958	4.3086	3.3327	3.9506	1.0951	4.3428	2.1100
C7	2.5416	3.2721	1.4874	2.5416	1.3611	3.4043		3.1203	3.3327	4.3086	2.1958	3.5041	2.1100	4.3428	1.0951	3.9506
C8	3.2721	2.5416	2.5416	1.4874	3.4043	1.3611	3.1203		4.3086	3.3327	3.5041	2.1958	4.3428	2.1100	3.9506	1.0951
H9	1.0951	2.1100	3.9506	4.3428	2.1958	3.5041	3.3327	4.3086		2.3898	4.6175	5.1993	2.5767	4.2041	4.2041	5.3581
H10	2.1100	1.0951	4.3428	3.9506	3.5041	2.1958	4.3086	3.3327	2.3898		5.1993	4.6175	4.2041	2.5767	5.3581	4.2041
H11	3.9506	4.3428	1.0951	2.1100	3.3327	4.3086	2.1958	3.5041	4.6175	5.1993		2.3898	4.2041	5.3581	2.5767	4.2041
H12	4.3428	3.9506	2.1100	1.0951	4.3086	3.3327	3.5041	2.1958	5.1993	4.6175	2.3898		5.3581	4.2041	4.2041	2.5767
H13	2.1958	3.3327	3.5041	4.3086	1.0951	3.9506	2.1100	4.3428	2.5767	4.2041	4.2041	5.3581		4.6175	2.3898	5.1993
H14	3.3327	2.1958	4.3086	3.5041	3.9506	1.0951	4.3428	2.1100	4.2041	2.5767	5.3581	4.2041	4.6175		5.1993	2.3898
H15	3.5041	4.3086	2.1958	3.3327	2.1100	4.3428	1.0951	3.9506	4.2041	5.3581	2.5767	4.2041	2.3898	5.1993		4.6175
H16	4.3086	3.5041	3.3327	2.1958	4.3428	2.1100	3.9506	1.0951	5.3581	4.2041	4.2041	2.5767	5.1993	2.3898	4.6175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	126.253	C1	C2	H10	118.012
C1	C5	C7	126.253	C1	C5	H13	115.647
C2	C1	C5	126.253	C2	C1	H9	118.012
C2	C6	C8	126.253	C2	C6	H14	115.647
C3	C4	C8	126.253	C3	C4	H12	118.012
C3	C7	C5	126.253	C3	C7	H15	115.647
C4	C3	C7	126.253	C4	C3	H11	118.012
C4	C8	C6	126.253	C4	C8	H16	115.647
C5	C1	H9	115.647	C5	C7	H15	118.012
C6	C2	H10	115.647	C6	C8	H16	118.012
C7	C3	H11	115.647	C7	C5	H13	118.012
C8	C4	H12	115.647	C8	C6	H14	118.012

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)