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	hartrees
Energy at 0K	-306.507755
Energy at 298.15K	-306.515553
HF Energy	-305.801010
Nuclear repulsion energy	323.427094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3022	0.00
2	A₁	1673	1591	0.00
3	A₁	1297	1234	0.00
4	A₁	891	848	0.00
5	A₁	771	733	0.00
6	A₁	190	181	0.00
7	A₂	3140	2987	0.00
8	A₂	1445	1375	0.00
9	A₂	994	945	0.00
10	A₂	958	911	0.00
11	A₂	231	220	0.00
12	B₁	3147	2994	0.00
13	B₁	1494	1422	0.00
14	B₁	1042	991	0.00
15	B₁	965	918	0.00
16	B₁	679	646	0.00
17	B₁	243	231	0.00
18	B₂	3164	3010	37.41
19	B₂	1662	1581	3.16
20	B₂	1278	1216	0.82
21	B₂	706	671	90.67
22	B₂	301	286	2.09
23	E	3170	3015	50.68
23	E	3170	3015	50.68
24	E	3143	2990	2.03
24	E	3143	2990	2.03
25	E	1661	1580	0.52
25	E	1661	1580	0.52
26	E	1478	1406	0.40
26	E	1478	1406	0.40
27	E	1304	1240	0.24
27	E	1304	1240	0.24
28	E	991	943	0.03
28	E	991	943	0.03
29	E	970	922	6.23
29	E	970	922	6.23
30	E	817	778	22.35
30	E	817	778	22.35
31	E	647	616	20.75
31	E	647	616	20.75
32	E	361	344	2.57
32	E	361	344	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	1.537	0.426
C2	-0.675	1.537	0.426
C3	0.675	-1.537	0.426
C4	-0.675	-1.537	0.426
C5	1.537	0.675	-0.426
C6	-1.537	0.675	-0.426
C7	1.537	-0.675	-0.426
C8	-1.537	-0.675	-0.426
H9	1.199	2.256	1.058
H10	-1.199	2.256	1.058
H11	1.199	-2.256	1.058
H12	-1.199	-2.256	1.058
H13	2.256	1.199	-1.058
H14	-2.256	1.199	-1.058
H15	2.256	-1.199	-1.058
H16	-2.256	-1.199	-1.058

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3497	3.0735	3.3568	1.4876	2.5222	2.5222	3.2419	1.0909	2.1038	3.8801	4.2768	2.1947	3.3024	3.4906	4.2748
C2	1.3497		3.3568	3.0735	2.5222	1.4876	3.2419	2.5222	2.1038	1.0909	4.2768	3.8801	3.3024	2.1947	4.2748	3.4906
C3	3.0735	3.3568		1.3497	2.5222	3.2419	1.4876	2.5222	3.8801	4.2768	1.0909	2.1038	3.4906	4.2748	2.1947	3.3024
C4	3.3568	3.0735	1.3497		3.2419	2.5222	2.5222	1.4876	4.2768	3.8801	2.1038	1.0909	4.2748	3.4906	3.3024	2.1947
C5	1.4876	2.5222	2.5222	3.2419		3.0735	1.3497	3.3568	2.1947	3.4906	3.3024	4.2748	1.0909	3.8801	2.1038	4.2768
C6	2.5222	1.4876	3.2419	2.5222	3.0735		3.3568	1.3497	3.4906	2.1947	4.2748	3.3024	3.8801	1.0909	4.2768	2.1038
C7	2.5222	3.2419	1.4876	2.5222	1.3497	3.3568		3.0735	3.3024	4.2748	2.1947	3.4906	2.1038	4.2768	1.0909	3.8801
C8	3.2419	2.5222	2.5222	1.4876	3.3568	1.3497	3.0735		4.2748	3.3024	3.4906	2.1947	4.2768	2.1038	3.8801	1.0909
H9	1.0909	2.1038	3.8801	4.2768	2.1947	3.4906	3.3024	4.2748		2.3973	4.5113	5.1086	2.5908	4.1865	4.1865	5.3237
H10	2.1038	1.0909	4.2768	3.8801	3.4906	2.1947	4.2748	3.3024	2.3973		5.1086	4.5113	4.1865	2.5908	5.3237	4.1865
H11	3.8801	4.2768	1.0909	2.1038	3.3024	4.2748	2.1947	3.4906	4.5113	5.1086		2.3973	4.1865	5.3237	2.5908	4.1865
H12	4.2768	3.8801	2.1038	1.0909	4.2748	3.3024	3.4906	2.1947	5.1086	4.5113	2.3973		5.3237	4.1865	4.1865	2.5908
H13	2.1947	3.3024	3.4906	4.2748	1.0909	3.8801	2.1038	4.2768	2.5908	4.1865	4.1865	5.3237		4.5113	2.3973	5.1086
H14	3.3024	2.1947	4.2748	3.4906	3.8801	1.0909	4.2768	2.1038	4.1865	2.5908	5.3237	4.1865	4.5113		5.1086	2.3973
H15	3.4906	4.2748	2.1947	3.3024	2.1038	4.2768	1.0909	3.8801	4.1865	5.3237	2.5908	4.1865	2.3973	5.1086		4.5113
H16	4.2748	3.4906	3.3024	2.1947	4.2768	2.1038	3.8801	1.0909	5.3237	4.1865	4.1865	2.5908	5.1086	2.3973	4.5113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.407	C1	C2	H10	118.693
C1	C5	C7	125.407	C1	C5	H13	115.821
C2	C1	C5	125.407	C2	C1	H9	118.693
C2	C6	C8	125.407	C2	C6	H14	115.821
C3	C4	C8	125.407	C3	C4	H12	118.693
C3	C7	C5	125.407	C3	C7	H15	115.821
C4	C3	C7	125.407	C4	C3	H11	118.693
C4	C8	C6	125.407	C4	C8	H16	115.821
C5	C1	H9	115.821	C5	C7	H15	118.693
C6	C2	H10	115.821	C6	C8	H16	118.693
C7	C3	H11	115.821	C7	C5	H13	118.693
C8	C4	H12	115.821	C8	C6	H14	118.693

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)