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	hartrees
Energy at 0K	-308.630921
Energy at 298.15K	-308.638604
HF Energy	-307.534937
Nuclear repulsion energy	325.301161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3026	0.00
2	A₁	1743	1629	0.00
3	A₁	1254	1172	0.00
4	A₁	923	863	0.00
5	A₁	780	729	0.00
6	A₁	189	176	0.00
7	A₂	3208	2998	0.00
8	A₂	1402	1310	0.00
9	A₂	979	915	0.00
10	A₂	929	868	0.00
11	A₂	217	202	0.00
12	B₁	3216	3005	0.00
13	B₁	1508	1409	0.00
14	B₁	1074	1003	0.00
15	B₁	947	884	0.00
16	B₁	647	604	0.00
17	B₁	229	214	0.00
18	B₂	3229	3017	39.53
19	B₂	1707	1595	1.25
20	B₂	1251	1169	0.57
21	B₂	698	652	71.99
22	B₂	291	272	1.08
23	E	3234	3022	58.97
23	E	3234	3022	58.97
24	E	3211	3001	1.16
24	E	3211	3001	1.16
25	E	1720	1608	1.08
25	E	1720	1608	1.08
26	E	1460	1364	0.00
26	E	1460	1364	0.00
27	E	1266	1183	0.90
27	E	1266	1183	0.90
28	E	997	931	1.54
28	E	997	931	1.54
29	E	975	911	1.61
29	E	975	911	1.61
30	E	822	768	20.78
30	E	822	768	20.78
31	E	636	594	16.32
31	E	636	594	16.32
32	E	347	325	2.00
32	E	347	325	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.673	1.533	0.410
C2	-0.673	1.533	0.410
C3	0.673	-1.533	0.410
C4	-0.673	-1.533	0.410
C5	1.533	0.673	-0.410
C6	-1.533	0.673	-0.410
C7	1.533	-0.673	-0.410
C8	-1.533	-0.673	-0.410
H9	1.180	2.281	1.012
H10	-1.180	2.281	1.012
H11	1.180	-2.281	1.012
H12	-1.180	-2.281	1.012
H13	2.281	1.180	-1.012
H14	-2.281	1.180	-1.012
H15	2.281	-1.180	-1.012
H16	-2.281	-1.180	-1.012

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3457	3.0670	3.3492	1.4678	2.5063	2.5063	3.2262	1.0855	2.0868	3.8950	4.2834	2.1755	3.2973	3.4602	4.2558
C2	1.3457		3.3492	3.0670	2.5063	1.4678	3.2262	2.5063	2.0868	1.0855	4.2834	3.8950	3.2973	2.1755	4.2558	3.4602
C3	3.0670	3.3492		1.3457	2.5063	3.2262	1.4678	2.5063	3.8950	4.2834	1.0855	2.0868	3.4602	4.2558	2.1755	3.2973
C4	3.3492	3.0670	1.3457		3.2262	2.5063	2.5063	1.4678	4.2834	3.8950	2.0868	1.0855	4.2558	3.4602	3.2973	2.1755
C5	1.4678	2.5063	2.5063	3.2262		3.0670	1.3457	3.3492	2.1755	3.4602	3.2973	4.2558	1.0855	3.8950	2.0868	4.2834
C6	2.5063	1.4678	3.2262	2.5063	3.0670		3.3492	1.3457	3.4602	2.1755	4.2558	3.2973	3.8950	1.0855	4.2834	2.0868
C7	2.5063	3.2262	1.4678	2.5063	1.3457	3.3492		3.0670	3.2973	4.2558	2.1755	3.4602	2.0868	4.2834	1.0855	3.8950
C8	3.2262	2.5063	2.5063	1.4678	3.3492	1.3457	3.0670		4.2558	3.2973	3.4602	2.1755	4.2834	2.0868	3.8950	1.0855
H9	1.0855	2.0868	3.8950	4.2834	2.1755	3.4602	3.2973	4.2558		2.3605	4.5623	5.1368	2.5530	4.1578	4.1578	5.2968
H10	2.0868	1.0855	4.2834	3.8950	3.4602	2.1755	4.2558	3.2973	2.3605		5.1368	4.5623	4.1578	2.5530	5.2968	4.1578
H11	3.8950	4.2834	1.0855	2.0868	3.2973	4.2558	2.1755	3.4602	4.5623	5.1368		2.3605	4.1578	5.2968	2.5530	4.1578
H12	4.2834	3.8950	2.0868	1.0855	4.2558	3.2973	3.4602	2.1755	5.1368	4.5623	2.3605		5.2968	4.1578	4.1578	2.5530
H13	2.1755	3.2973	3.4602	4.2558	1.0855	3.8950	2.0868	4.2834	2.5530	4.1578	4.1578	5.2968		4.5623	2.3605	5.1368
H14	3.2973	2.1755	4.2558	3.4602	3.8950	1.0855	4.2834	2.0868	4.1578	2.5530	5.2968	4.1578	4.5623		5.1368	2.3605
H15	3.4602	4.2558	2.1755	3.2973	2.0868	4.2834	1.0855	3.8950	4.1578	5.2968	2.5530	4.1578	2.3605	5.1368		4.5623
H16	4.2558	3.4602	3.2973	2.1755	4.2834	2.0868	3.8950	1.0855	5.2968	4.1578	4.1578	2.5530	5.1368	2.3605	4.5623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.900	C1	C2	H10	117.870
C1	C5	C7	125.900	C1	C5	H13	116.069
C2	C1	C5	125.900	C2	C1	H9	117.870
C2	C6	C8	125.900	C2	C6	H14	116.069
C3	C4	C8	125.900	C3	C4	H12	117.870
C3	C7	C5	125.900	C3	C7	H15	116.069
C4	C3	C7	125.900	C4	C3	H11	117.870
C4	C8	C6	125.900	C4	C8	H16	116.069
C5	C1	H9	116.069	C5	C7	H15	117.870
C6	C2	H10	116.069	C6	C8	H16	117.870
C7	C3	H11	116.069	C7	C5	H13	117.870
C8	C4	H12	116.069	C8	C6	H14	117.870

All results from a given calculation for C₈H₈ (cyclooctatetraene)

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

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)