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	hartrees
Energy at 0K	-308.591531
Energy at 298.15K	-308.599137
HF Energy	-307.544971
Nuclear repulsion energy	322.618450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3047	0.00
2	A₁	1723	1641	0.00
3	A₁	1213	1156	0.00
4	A₁	909	865	0.00
5	A₁	764	727	0.00
6	A₁	184	176	0.00
7	A₂	3165	3015	0.00
8	A₂	1358	1293	0.00
9	A₂	972	926	0.00
10	A₂	914	870	0.00
11	A₂	216	206	0.00
12	B₁	3175	3024	0.00
13	B₁	1473	1403	0.00
14	B₁	1052	1002	0.00
15	B₁	939	894	0.00
16	B₁	642	611	0.00
17	B₁	227	216	0.00
18	B₂	3188	3037	31.33
19	B₂	1675	1595	1.19
20	B₂	1217	1159	0.90
21	B₂	681	648	74.46
22	B₂	285	271	1.24
23	E	3194	3042	52.43
23	E	3194	3042	52.43
24	E	3170	3019	0.63
24	E	3170	3019	0.63
25	E	1694	1614	1.04
25	E	1694	1614	1.04
26	E	1418	1350	0.08
26	E	1418	1350	0.08
27	E	1228	1170	1.19
27	E	1228	1170	1.19
28	E	978	932	0.68
28	E	978	932	0.68
29	E	965	919	2.15
29	E	965	919	2.15
30	E	809	770	22.10
30	E	809	770	22.10
31	E	624	594	17.06
31	E	624	594	17.06
32	E	341	325	2.53
32	E	341	325	2.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	1.546	0.411
C2	-0.679	1.546	0.411
C3	0.679	-1.546	0.411
C4	-0.679	-1.546	0.411
C5	1.546	0.679	-0.411
C6	-1.546	0.679	-0.411
C7	1.546	-0.679	-0.411
C8	-1.546	-0.679	-0.411
H9	1.189	2.312	1.012
H10	-1.189	2.312	1.012
H11	1.189	-2.312	1.012
H12	-1.189	-2.312	1.012
H13	2.312	1.189	-1.012
H14	-2.312	1.189	-1.012
H15	2.312	-1.189	-1.012
H16	-2.312	-1.189	-1.012

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3571	3.0918	3.3765	1.4766	2.5251	2.5251	3.2515	1.0994	2.1063	3.9373	4.3279	2.1954	3.3307	3.4891	4.2951
C2	1.3571		3.3765	3.0918	2.5251	1.4766	3.2515	2.5251	2.1063	1.0994	4.3279	3.9373	3.3307	2.1954	4.2951	3.4891
C3	3.0918	3.3765		1.3571	2.5251	3.2515	1.4766	2.5251	3.9373	4.3279	1.0994	2.1063	3.4891	4.2951	2.1954	3.3307
C4	3.3765	3.0918	1.3571		3.2515	2.5251	2.5251	1.4766	4.3279	3.9373	2.1063	1.0994	4.2951	3.4891	3.3307	2.1954
C5	1.4766	2.5251	2.5251	3.2515		3.0918	1.3571	3.3765	2.1954	3.4891	3.3307	4.2951	1.0994	3.9373	2.1063	4.3279
C6	2.5251	1.4766	3.2515	2.5251	3.0918		3.3765	1.3571	3.4891	2.1954	4.2951	3.3307	3.9373	1.0994	4.3279	2.1063
C7	2.5251	3.2515	1.4766	2.5251	1.3571	3.3765		3.0918	3.3307	4.2951	2.1954	3.4891	2.1063	4.3279	1.0994	3.9373
C8	3.2515	2.5251	2.5251	1.4766	3.3765	1.3571	3.0918		4.2951	3.3307	3.4891	2.1954	4.3279	2.1063	3.9373	1.0994
H9	1.0994	2.1063	3.9373	4.3279	2.1954	3.4891	3.3307	4.2951		2.3785	4.6232	5.1992	2.5725	4.1969	4.1969	5.3489
H10	2.1063	1.0994	4.3279	3.9373	3.4891	2.1954	4.2951	3.3307	2.3785		5.1992	4.6232	4.1969	2.5725	5.3489	4.1969
H11	3.9373	4.3279	1.0994	2.1063	3.3307	4.2951	2.1954	3.4891	4.6232	5.1992		2.3785	4.1969	5.3489	2.5725	4.1969
H12	4.3279	3.9373	2.1063	1.0994	4.2951	3.3307	3.4891	2.1954	5.1992	4.6232	2.3785		5.3489	4.1969	4.1969	2.5725
H13	2.1954	3.3307	3.4891	4.2951	1.0994	3.9373	2.1063	4.3279	2.5725	4.1969	4.1969	5.3489		4.6232	2.3785	5.1992
H14	3.3307	2.1954	4.2951	3.4891	3.9373	1.0994	4.3279	2.1063	4.1969	2.5725	5.3489	4.1969	4.6232		5.1992	2.3785
H15	3.4891	4.2951	2.1954	3.3307	2.1063	4.3279	1.0994	3.9373	4.1969	5.3489	2.5725	4.1969	2.3785	5.1992		4.6232
H16	4.2951	3.4891	3.3307	2.1954	4.3279	2.1063	3.9373	1.0994	5.3489	4.1969	4.1969	2.5725	5.1992	2.3785	4.6232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.973	C1	C2	H10	117.681
C1	C5	C7	125.973	C1	C5	H13	116.149
C2	C1	C5	125.973	C2	C1	H9	117.681
C2	C6	C8	125.973	C2	C6	H14	116.149
C3	C4	C8	125.973	C3	C4	H12	117.681
C3	C7	C5	125.973	C3	C7	H15	116.149
C4	C3	C7	125.973	C4	C3	H11	117.681
C4	C8	C6	125.973	C4	C8	H16	116.149
C5	C1	H9	116.149	C5	C7	H15	117.681
C6	C2	H10	116.149	C6	C8	H16	117.681
C7	C3	H11	116.149	C7	C5	H13	117.681
C8	C4	H12	116.149	C8	C6	H14	117.681

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2/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/cc-pVDZ

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)