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	hartrees
Energy at 0K	-308.123225
Energy at 298.15K	-308.131031
HF Energy	-307.404775
Nuclear repulsion energy	321.160872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3009	0.00
2	A₁	1707	1622	0.00
3	A₁	1283	1219	0.00
4	A₁	904	859	0.00
5	A₁	780	741	0.00
6	A₁	190	180	0.00
7	A₂	3128	2972	0.00
8	A₂	1433	1361	0.00
9	A₂	970	922	0.00
10	A₂	956	908	0.00
11	A₂	228	217	0.00
12	B₁	3137	2980	0.00
13	B₁	1496	1421	0.00
14	B₁	1070	1017	0.00
15	B₁	950	902	0.00
16	B₁	666	633	0.00
17	B₁	243	230	0.00
18	B₂	3153	2996	54.65
19	B₂	1666	1583	2.26
20	B₂	1269	1205	0.63
21	B₂	706	671	91.16
22	B₂	298	283	1.56
23	E	3160	3002	83.87
23	E	3160	3002	83.87
24	E	3132	2975	3.29
24	E	3132	2975	3.29
25	E	1679	1596	0.74
25	E	1679	1596	0.74
26	E	1471	1397	0.07
26	E	1471	1397	0.07
27	E	1293	1228	0.19
27	E	1293	1228	0.19
28	E	988	939	2.20
28	E	988	939	2.20
29	E	966	917	2.34
29	E	966	917	2.34
30	E	829	788	21.87
30	E	829	788	21.87
31	E	653	620	18.07
31	E	653	620	18.07
32	E	366	348	2.05
32	E	366	348	2.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	1.560	0.408
C2	-0.680	1.560	0.408
C3	0.680	-1.560	0.408
C4	-0.680	-1.560	0.408
C5	1.560	0.680	-0.408
C6	-1.560	0.680	-0.408
C7	1.560	-0.680	-0.408
C8	-1.560	-0.680	-0.408
H9	1.195	2.308	1.020
H10	-1.195	2.308	1.020
H11	1.195	-2.308	1.020
H12	-1.195	-2.308	1.020
H13	2.308	1.195	-1.020
H14	-2.308	1.195	-1.020
H15	2.308	-1.195	-1.020
H16	-2.308	-1.195	-1.020

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3609	3.1193	3.4032	1.4871	2.5410	2.5410	3.2713	1.0950	2.1097	3.9493	4.3415	2.1956	3.3320	3.5035	4.3076
C2	1.3609		3.4032	3.1193	2.5410	1.4871	3.2713	2.5410	2.1097	1.0950	4.3415	3.9493	3.3320	2.1956	4.3076	3.5035
C3	3.1193	3.4032		1.3609	2.5410	3.2713	1.4871	2.5410	3.9493	4.3415	1.0950	2.1097	3.5035	4.3076	2.1956	3.3320
C4	3.4032	3.1193	1.3609		3.2713	2.5410	2.5410	1.4871	4.3415	3.9493	2.1097	1.0950	4.3076	3.5035	3.3320	2.1956
C5	1.4871	2.5410	2.5410	3.2713		3.1193	1.3609	3.4032	2.1956	3.5035	3.3320	4.3076	1.0950	3.9493	2.1097	4.3415
C6	2.5410	1.4871	3.2713	2.5410	3.1193		3.4032	1.3609	3.5035	2.1956	4.3076	3.3320	3.9493	1.0950	4.3415	2.1097
C7	2.5410	3.2713	1.4871	2.5410	1.3609	3.4032		3.1193	3.3320	4.3076	2.1956	3.5035	2.1097	4.3415	1.0950	3.9493
C8	3.2713	2.5410	2.5410	1.4871	3.4032	1.3609	3.1193		4.3076	3.3320	3.5035	2.1956	4.3415	2.1097	3.9493	1.0950
H9	1.0950	2.1097	3.9493	4.3415	2.1956	3.5035	3.3320	4.3076		2.3895	4.6159	5.1977	2.5766	4.2034	4.2034	5.3571
H10	2.1097	1.0950	4.3415	3.9493	3.5035	2.1956	4.3076	3.3320	2.3895		5.1977	4.6159	4.2034	2.5766	5.3571	4.2034
H11	3.9493	4.3415	1.0950	2.1097	3.3320	4.3076	2.1956	3.5035	4.6159	5.1977		2.3895	4.2034	5.3571	2.5766	4.2034
H12	4.3415	3.9493	2.1097	1.0950	4.3076	3.3320	3.5035	2.1956	5.1977	4.6159	2.3895		5.3571	4.2034	4.2034	2.5766
H13	2.1956	3.3320	3.5035	4.3076	1.0950	3.9493	2.1097	4.3415	2.5766	4.2034	4.2034	5.3571		4.6159	2.3895	5.1977
H14	3.3320	2.1956	4.3076	3.5035	3.9493	1.0950	4.3415	2.1097	4.2034	2.5766	5.3571	4.2034	4.6159		5.1977	2.3895
H15	3.5035	4.3076	2.1956	3.3320	2.1097	4.3415	1.0950	3.9493	4.2034	5.3571	2.5766	4.2034	2.3895	5.1977		4.6159
H16	4.3076	3.5035	3.3320	2.1956	4.3415	2.1097	3.9493	1.0950	5.3571	4.2034	4.2034	2.5766	5.1977	2.3895	4.6159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	126.243	C1	C2	H10	118.016
C1	C5	C7	126.243	C1	C5	H13	115.653
C2	C1	C5	126.243	C2	C1	H9	118.016
C2	C6	C8	126.243	C2	C6	H14	115.653
C3	C4	C8	126.243	C3	C4	H12	118.016
C3	C7	C5	126.243	C3	C7	H15	115.653
C4	C3	C7	126.243	C4	C3	H11	118.016
C4	C8	C6	126.243	C4	C8	H16	115.653
C5	C1	H9	115.653	C5	C7	H15	118.016
C6	C2	H10	115.653	C6	C8	H16	118.016
C7	C3	H11	115.653	C7	C5	H13	118.016
C8	C4	H12	115.653	C8	C6	H14	118.016

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)