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	hartrees
Energy at 0K	-308.611481
Energy at 298.15K	-308.619099
HF Energy	-307.545383
Nuclear repulsion energy	322.904318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3046	0.00
2	A₁	1727	1642	0.00
3	A₁	1214	1154	0.00
4	A₁	910	865	0.00
5	A₁	766	728	0.00
6	A₁	184	175	0.00
7	A₂	3171	3013	0.00
8	A₂	1359	1291	0.00
9	A₂	975	927	0.00
10	A₂	914	869	0.00
11	A₂	216	206	0.00
12	B₁	3181	3023	0.00
13	B₁	1474	1401	0.00
14	B₁	1054	1001	0.00
15	B₁	942	895	0.00
16	B₁	643	611	0.00
17	B₁	227	216	0.00
18	B₂	3194	3035	30.88
19	B₂	1678	1594	1.19
20	B₂	1218	1158	0.92
21	B₂	682	649	74.54
22	B₂	285	271	1.24
23	E	3200	3041	51.73
23	E	3200	3041	51.73
24	E	3175	3017	0.61
24	E	3175	3017	0.61
25	E	1698	1613	1.03
25	E	1698	1613	1.03
26	E	1419	1349	0.09
26	E	1419	1349	0.09
27	E	1230	1169	1.19
27	E	1230	1169	1.19
28	E	980	931	0.60
28	E	980	931	0.60
29	E	967	919	2.21
29	E	967	919	2.21
30	E	810	770	22.29
30	E	810	770	22.29
31	E	625	594	16.96
31	E	625	594	16.96
32	E	341	324	2.53
32	E	341	324	2.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	1.545	0.411
C2	-0.678	1.545	0.411
C3	0.678	-1.545	0.411
C4	-0.678	-1.545	0.411
C5	1.545	0.678	-0.411
C6	-1.545	0.678	-0.411
C7	1.545	-0.678	-0.411
C8	-1.545	-0.678	-0.411
H9	1.188	2.310	1.011
H10	-1.188	2.310	1.011
H11	1.188	-2.310	1.011
H12	-1.188	-2.310	1.011
H13	2.310	1.188	-1.011
H14	-2.310	1.188	-1.011
H15	2.310	-1.188	-1.011
H16	-2.310	-1.188	-1.011

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3561	3.0890	3.3736	1.4751	2.5229	2.5229	3.2486	1.0984	2.1045	3.9339	4.3242	2.1933	3.3279	3.4859	4.2913
C2	1.3561		3.3736	3.0890	2.5229	1.4751	3.2486	2.5229	2.1045	1.0984	4.3242	3.9339	3.3279	2.1933	4.2913	3.4859
C3	3.0890	3.3736		1.3561	2.5229	3.2486	1.4751	2.5229	3.9339	4.3242	1.0984	2.1045	3.4859	4.2913	2.1933	3.3279
C4	3.3736	3.0890	1.3561		3.2486	2.5229	2.5229	1.4751	4.3242	3.9339	2.1045	1.0984	4.2913	3.4859	3.3279	2.1933
C5	1.4751	2.5229	2.5229	3.2486		3.0890	1.3561	3.3736	2.1933	3.4859	3.3279	4.2913	1.0984	3.9339	2.1045	4.3242
C6	2.5229	1.4751	3.2486	2.5229	3.0890		3.3736	1.3561	3.4859	2.1933	4.2913	3.3279	3.9339	1.0984	4.3242	2.1045
C7	2.5229	3.2486	1.4751	2.5229	1.3561	3.3736		3.0890	3.3279	4.2913	2.1933	3.4859	2.1045	4.3242	1.0984	3.9339
C8	3.2486	2.5229	2.5229	1.4751	3.3736	1.3561	3.0890		4.2913	3.3279	3.4859	2.1933	4.3242	2.1045	3.9339	1.0984
H9	1.0984	2.1045	3.9339	4.3242	2.1933	3.4859	3.3279	4.2913		2.3764	4.6194	5.1948	2.5701	4.1932	4.1932	5.3442
H10	2.1045	1.0984	4.3242	3.9339	3.4859	2.1933	4.2913	3.3279	2.3764		5.1948	4.6194	4.1932	2.5701	5.3442	4.1932
H11	3.9339	4.3242	1.0984	2.1045	3.3279	4.2913	2.1933	3.4859	4.6194	5.1948		2.3764	4.1932	5.3442	2.5701	4.1932
H12	4.3242	3.9339	2.1045	1.0984	4.2913	3.3279	3.4859	2.1933	5.1948	4.6194	2.3764		5.3442	4.1932	4.1932	2.5701
H13	2.1933	3.3279	3.4859	4.2913	1.0984	3.9339	2.1045	4.3242	2.5701	4.1932	4.1932	5.3442		4.6194	2.3764	5.1948
H14	3.3279	2.1933	4.2913	3.4859	3.9339	1.0984	4.3242	2.1045	4.1932	2.5701	5.3442	4.1932	4.6194		5.1948	2.3764
H15	3.4859	4.2913	2.1933	3.3279	2.1045	4.3242	1.0984	3.9339	4.1932	5.3442	2.5701	4.1932	2.3764	5.1948		4.6194
H16	4.2913	3.4859	3.3279	2.1933	4.3242	2.1045	3.9339	1.0984	5.3442	4.1932	4.1932	2.5701	5.1948	2.3764	4.6194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.973	C1	C2	H10	117.675
C1	C5	C7	125.973	C1	C5	H13	116.154
C2	C1	C5	125.973	C2	C1	H9	117.675
C2	C6	C8	125.973	C2	C6	H14	116.154
C3	C4	C8	125.973	C3	C4	H12	117.675
C3	C7	C5	125.973	C3	C7	H15	116.154
C4	C3	C7	125.973	C4	C3	H11	117.675
C4	C8	C6	125.973	C4	C8	H16	116.154
C5	C1	H9	116.154	C5	C7	H15	117.675
C6	C2	H10	116.154	C6	C8	H16	117.675
C7	C3	H11	116.154	C7	C5	H13	117.675
C8	C4	H12	116.154	C8	C6	H14	117.675

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)