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	hartrees
Energy at 0K	-309.700985
Energy at 298.15K	-309.708854
HF Energy	-309.700985
Nuclear repulsion energy	324.301850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3036	0.00
2	A₁	1712	1656	0.00
3	A₁	1244	1204	0.00
4	A₁	890	861	0.00
5	A₁	776	751	0.00
6	A₁	179	173	0.00
7	A₂	3105	3004	0.00
8	A₂	1397	1351	0.00
9	A₂	1022	989	0.00
10	A₂	947	916	0.00
11	A₂	237	229	0.00
12	B₁	3114	3013	0.00
13	B₁	1474	1426	0.00
14	B₁	1052	1017	0.00
15	B₁	988	956	0.00
16	B₁	675	654	0.00
17	B₁	267	258	0.00
18	B₂	3124	3023	26.59
19	B₂	1698	1643	0.53
20	B₂	1242	1202	1.15
21	B₂	686	664	92.15
22	B₂	292	283	1.54
23	E	3131	3030	58.56
23	E	3131	3030	58.56
24	E	3108	3007	0.99
24	E	3108	3007	0.99
25	E	1690	1635	3.12
25	E	1690	1635	3.12
26	E	1438	1391	0.09
26	E	1438	1391	0.09
27	E	1259	1218	1.34
27	E	1259	1218	1.34
28	E	1012	979	0.79
28	E	1012	979	0.79
29	E	959	927	1.43
29	E	959	927	1.43
30	E	815	788	19.75
30	E	815	788	19.75
31	E	655	633	19.38
31	E	655	633	19.38
32	E	367	355	1.14
32	E	367	355	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.666	1.551	0.391
C2	-0.666	1.551	0.391
C3	0.666	-1.551	0.391
C4	-0.666	-1.551	0.391
C5	1.551	0.666	-0.391
C6	1.551	-0.666	-0.391
C7	-1.551	0.666	-0.391
C8	-1.551	-0.666	-0.391
H9	1.184	2.304	0.980
H10	-1.184	2.304	0.980
H11	1.184	-2.304	0.980
H12	-1.184	-2.304	0.980
H13	2.304	1.184	-0.980
H14	2.304	-1.184	-0.980
H15	-2.304	1.184	-0.980
H16	-2.304	-1.184	-0.980

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3313	3.1016	3.3753	1.4758	2.5114	2.5114	3.2305	1.0879	2.0825	3.9341	4.3163	2.1674	3.4705	3.2913	4.2637
C2	1.3313		3.3753	3.1016	2.5114	3.2305	1.4758	2.5114	2.0825	1.0879	4.3163	3.9341	3.2913	4.2637	2.1674	3.4705
C3	3.1016	3.3753		1.3313	2.5114	1.4758	3.2305	2.5114	3.9341	4.3163	1.0879	2.0825	3.4705	2.1674	4.2637	3.2913
C4	3.3753	3.1016	1.3313		3.2305	2.5114	2.5114	1.4758	4.3163	3.9341	2.0825	1.0879	4.2637	3.2913	3.4705	2.1674
C5	1.4758	2.5114	2.5114	3.2305		1.3313	3.1016	3.3753	2.1674	3.4705	3.2913	4.2637	1.0879	2.0825	3.9341	4.3163
C6	2.5114	3.2305	1.4758	2.5114	1.3313		3.3753	3.1016	3.2913	4.2637	2.1674	3.4705	2.0825	1.0879	4.3163	3.9341
C7	2.5114	1.4758	3.2305	2.5114	3.1016	3.3753		1.3313	3.4705	2.1674	4.2637	3.2913	3.9341	4.3163	1.0879	2.0825
C8	3.2305	2.5114	2.5114	1.4758	3.3753	3.1016	1.3313		4.2637	3.2913	3.4705	2.1674	4.3163	3.9341	2.0825	1.0879
H9	1.0879	2.0825	3.9341	4.3163	2.1674	3.2913	3.4705	4.2637		2.3686	4.6084	5.1814	2.5197	4.1550	4.1550	5.3084
H10	2.0825	1.0879	4.3163	3.9341	3.4705	4.2637	2.1674	3.2913	2.3686		5.1814	4.6084	4.1550	5.3084	2.5197	4.1550
H11	3.9341	4.3163	1.0879	2.0825	3.2913	2.1674	4.2637	3.4705	4.6084	5.1814		2.3686	4.1550	2.5197	5.3084	4.1550
H12	4.3163	3.9341	2.0825	1.0879	4.2637	3.4705	3.2913	2.1674	5.1814	4.6084	2.3686		5.3084	4.1550	4.1550	2.5197
H13	2.1674	3.2913	3.4705	4.2637	1.0879	2.0825	3.9341	4.3163	2.5197	4.1550	4.1550	5.3084		2.3686	4.6084	5.1814
H14	3.4705	4.2637	2.1674	3.2913	2.0825	1.0879	4.3163	3.9341	4.1550	5.3084	2.5197	4.1550	2.3686		5.1814	4.6084
H15	3.2913	2.1674	4.2637	3.4705	3.9341	4.3163	1.0879	2.0825	4.1550	2.5197	5.3084	4.1550	4.6084	5.1814		2.3686
H16	4.2637	3.4705	3.2913	2.1674	4.3163	3.9341	2.0825	1.0879	5.3084	4.1550	4.1550	2.5197	5.1814	4.6084	2.3686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	46.678	C1	C2	H10	118.473
C1	C5	C7	53.145	C1	C5	H13	114.593
C2	C1	C5	126.855	C2	C1	H9	118.473
C2	C6	C8	46.678	C2	C6	H14	158.941
C3	C4	C8	126.855	C3	C4	H12	118.473
C3	C7	C5	46.678	C3	C7	H15	158.941
C4	C3	C7	46.678	C4	C3	H11	118.473
C4	C8	C6	53.145	C4	C8	H16	114.593
C5	C1	H9	114.593	C5	C7	H15	133.829
C6	C2	H10	158.941	C6	C8	H16	133.829
C7	C3	H11	158.941	C7	C5	H13	133.829
C8	C4	H12	114.593	C8	C6	H14	133.829

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)