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	hartrees
Energy at 0K	-308.652987
Energy at 298.15K	-308.660613
HF Energy	-307.545510
Nuclear repulsion energy	324.918567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3038	0.00
2	A₁	1724	1619	0.00
3	A₁	1247	1171	0.00
4	A₁	918	862	0.00
5	A₁	768	721	0.00
6	A₁	193	182	0.00
7	A₂	3203	3008	0.00
8	A₂	1395	1310	0.00
9	A₂	965	907	0.00
10	A₂	920	864	0.00
11	A₂	210	198	0.00
12	B₁	3211	3016	0.00
13	B₁	1499	1408	0.00
14	B₁	1068	1003	0.00
15	B₁	935	878	0.00
16	B₁	632	594	0.00
17	B₁	219	206	0.00
18	B₂	3224	3028	31.47
19	B₂	1688	1585	0.90
20	B₂	1244	1168	1.64
21	B₂	693	651	101.23
22	B₂	290	272	2.42
23	E	3229	3033	55.29
23	E	3229	3033	55.29
24	E	3206	3011	0.94
24	E	3206	3011	0.94
25	E	1701	1598	2.27
25	E	1701	1598	2.27
26	E	1451	1362	0.01
26	E	1451	1362	0.01
27	E	1259	1183	0.87
27	E	1259	1183	0.87
28	E	991	931	1.23
28	E	991	931	1.23
29	E	968	909	2.69
29	E	968	909	2.69
30	E	814	764	30.81
30	E	814	764	30.81
31	E	630	592	21.76
31	E	630	592	21.76
32	E	344	323	3.89
32	E	344	323	3.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	1.534	0.412
C2	-0.675	1.534	0.412
C3	0.675	-1.534	0.412
C4	-0.675	-1.534	0.412
C5	1.534	0.675	-0.412
C6	-1.534	0.675	-0.412
C7	1.534	-0.675	-0.412
C8	-1.534	-0.675	-0.412
H9	1.182	2.284	1.012
H10	-1.182	2.284	1.012
H11	1.182	-2.284	1.012
H12	-1.182	-2.284	1.012
H13	2.284	1.182	-1.012
H14	-2.284	1.182	-1.012
H15	2.284	-1.182	-1.012
H16	-2.284	-1.182	-1.012

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3494	3.0678	3.3514	1.4684	2.5092	2.5092	3.2304	1.0860	2.0901	3.8975	4.2872	2.1777	3.3023	3.4631	4.2610
C2	1.3494		3.3514	3.0678	2.5092	1.4684	3.2304	2.5092	2.0901	1.0860	4.2872	3.8975	3.3023	2.1777	4.2610	3.4631
C3	3.0678	3.3514		1.3494	2.5092	3.2304	1.4684	2.5092	3.8975	4.2872	1.0860	2.0901	3.4631	4.2610	2.1777	3.3023
C4	3.3514	3.0678	1.3494		3.2304	2.5092	2.5092	1.4684	4.2872	3.8975	2.0901	1.0860	4.2610	3.4631	3.3023	2.1777
C5	1.4684	2.5092	2.5092	3.2304		3.0678	1.3494	3.3514	2.1777	3.4631	3.3023	4.2610	1.0860	3.8975	2.0901	4.2872
C6	2.5092	1.4684	3.2304	2.5092	3.0678		3.3514	1.3494	3.4631	2.1777	4.2610	3.3023	3.8975	1.0860	4.2872	2.0901
C7	2.5092	3.2304	1.4684	2.5092	1.3494	3.3514		3.0678	3.3023	4.2610	2.1777	3.4631	2.0901	4.2872	1.0860	3.8975
C8	3.2304	2.5092	2.5092	1.4684	3.3514	1.3494	3.0678		4.2610	3.3023	3.4631	2.1777	4.2872	2.0901	3.8975	1.0860
H9	1.0860	2.0901	3.8975	4.2872	2.1777	3.4631	3.3023	4.2610		2.3635	4.5673	5.1426	2.5549	4.1620	4.1620	5.3026
H10	2.0901	1.0860	4.2872	3.8975	3.4631	2.1777	4.2610	3.3023	2.3635		5.1426	4.5673	4.1620	2.5549	5.3026	4.1620
H11	3.8975	4.2872	1.0860	2.0901	3.3023	4.2610	2.1777	3.4631	4.5673	5.1426		2.3635	4.1620	5.3026	2.5549	4.1620
H12	4.2872	3.8975	2.0901	1.0860	4.2610	3.3023	3.4631	2.1777	5.1426	4.5673	2.3635		5.3026	4.1620	4.1620	2.5549
H13	2.1777	3.3023	3.4631	4.2610	1.0860	3.8975	2.0901	4.2872	2.5549	4.1620	4.1620	5.3026		4.5673	2.3635	5.1426
H14	3.3023	2.1777	4.2610	3.4631	3.8975	1.0860	4.2872	2.0901	4.1620	2.5549	5.3026	4.1620	4.5673		5.1426	2.3635
H15	3.4631	4.2610	2.1777	3.3023	2.0901	4.2872	1.0860	3.8975	4.1620	5.3026	2.5549	4.1620	2.3635	5.1426		4.5673
H16	4.2610	3.4631	3.3023	2.1777	4.2872	2.0901	3.8975	1.0860	5.3026	4.1620	4.1620	2.5549	5.1426	2.3635	4.5673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.810	C1	C2	H10	117.836
C1	C5	C7	125.810	C1	C5	H13	116.169
C2	C1	C5	125.810	C2	C1	H9	117.836
C2	C6	C8	125.810	C2	C6	H14	116.169
C3	C4	C8	125.810	C3	C4	H12	117.836
C3	C7	C5	125.810	C3	C7	H15	116.169
C4	C3	C7	125.810	C4	C3	H11	117.836
C4	C8	C6	125.810	C4	C8	H16	116.169
C5	C1	H9	116.169	C5	C7	H15	117.836
C6	C2	H10	116.169	C6	C8	H16	117.836
C7	C3	H11	116.169	C7	C5	H13	117.836
C8	C4	H12	116.169	C8	C6	H14	117.836

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)