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	hartrees
Energy at 0K	-306.521226
Energy at 298.15K	-306.529027
HF Energy	-305.801118
Nuclear repulsion energy	323.492552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3012	0.00
2	A₁	1673	1586	0.00
3	A₁	1297	1230	0.00
4	A₁	892	845	0.00
5	A₁	771	731	0.00
6	A₁	190	181	0.00
7	A₂	3140	2977	0.00
8	A₂	1445	1370	0.00
9	A₂	995	943	0.00
10	A₂	958	908	0.00
11	A₂	231	219	0.00
12	B₁	3148	2984	0.00
13	B₁	1495	1417	0.00
14	B₁	1042	988	0.00
15	B₁	966	916	0.00
16	B₁	679	644	0.00
17	B₁	243	230	0.00
18	B₂	3164	3000	37.25
19	B₂	1663	1576	3.16
20	B₂	1278	1212	0.83
21	B₂	706	670	90.63
22	B₂	301	285	2.09
23	E	3170	3005	50.42
23	E	3170	3005	50.42
24	E	3143	2980	2.02
24	E	3143	2980	2.02
25	E	1661	1575	0.51
25	E	1661	1575	0.51
26	E	1478	1401	0.41
26	E	1478	1401	0.41
27	E	1304	1236	0.24
27	E	1304	1236	0.24
28	E	992	940	0.02
28	E	992	940	0.02
29	E	970	920	6.24
29	E	970	920	6.24
30	E	818	775	22.42
30	E	818	775	22.42
31	E	648	614	20.68
31	E	648	614	20.68
32	E	362	343	2.57
32	E	362	343	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	1.536	0.426
C2	-0.675	1.536	0.426
C3	0.675	-1.536	0.426
C4	-0.675	-1.536	0.426
C5	1.536	0.675	-0.426
C6	-1.536	0.675	-0.426
C7	1.536	-0.675	-0.426
C8	-1.536	-0.675	-0.426
H9	1.198	2.255	1.058
H10	-1.198	2.255	1.058
H11	1.198	-2.255	1.058
H12	-1.198	-2.255	1.058
H13	2.255	1.198	-1.058
H14	-2.255	1.198	-1.058
H15	2.255	-1.198	-1.058
H16	-2.255	-1.198	-1.058

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3495	3.0726	3.3559	1.4873	2.5216	2.5216	3.2411	1.0908	2.1034	3.8791	4.2758	2.1944	3.3017	3.4900	4.2739
C2	1.3495		3.3559	3.0726	2.5216	1.4873	3.2411	2.5216	2.1034	1.0908	4.2758	3.8791	3.3017	2.1944	4.2739	3.4900
C3	3.0726	3.3559		1.3495	2.5216	3.2411	1.4873	2.5216	3.8791	4.2758	1.0908	2.1034	3.4900	4.2739	2.1944	3.3017
C4	3.3559	3.0726	1.3495		3.2411	2.5216	2.5216	1.4873	4.2758	3.8791	2.1034	1.0908	4.2739	3.4900	3.3017	2.1944
C5	1.4873	2.5216	2.5216	3.2411		3.0726	1.3495	3.3559	2.1944	3.4900	3.3017	4.2739	1.0908	3.8791	2.1034	4.2758
C6	2.5216	1.4873	3.2411	2.5216	3.0726		3.3559	1.3495	3.4900	2.1944	4.2739	3.3017	3.8791	1.0908	4.2758	2.1034
C7	2.5216	3.2411	1.4873	2.5216	1.3495	3.3559		3.0726	3.3017	4.2739	2.1944	3.4900	2.1034	4.2758	1.0908	3.8791
C8	3.2411	2.5216	2.5216	1.4873	3.3559	1.3495	3.0726		4.2739	3.3017	3.4900	2.1944	4.2758	2.1034	3.8791	1.0908
H9	1.0908	2.1034	3.8791	4.2758	2.1944	3.4900	3.3017	4.2739		2.3969	4.5100	5.1074	2.5905	4.1858	4.1858	5.3227
H10	2.1034	1.0908	4.2758	3.8791	3.4900	2.1944	4.2739	3.3017	2.3969		5.1074	4.5100	4.1858	2.5905	5.3227	4.1858
H11	3.8791	4.2758	1.0908	2.1034	3.3017	4.2739	2.1944	3.4900	4.5100	5.1074		2.3969	4.1858	5.3227	2.5905	4.1858
H12	4.2758	3.8791	2.1034	1.0908	4.2739	3.3017	3.4900	2.1944	5.1074	4.5100	2.3969		5.3227	4.1858	4.1858	2.5905
H13	2.1944	3.3017	3.4900	4.2739	1.0908	3.8791	2.1034	4.2758	2.5905	4.1858	4.1858	5.3227		4.5100	2.3969	5.1074
H14	3.3017	2.1944	4.2739	3.4900	3.8791	1.0908	4.2758	2.1034	4.1858	2.5905	5.3227	4.1858	4.5100		5.1074	2.3969
H15	3.4900	4.2739	2.1944	3.3017	2.1034	4.2758	1.0908	3.8791	4.1858	5.3227	2.5905	4.1858	2.3969	5.1074		4.5100
H16	4.2739	3.4900	3.3017	2.1944	4.2758	2.1034	3.8791	1.0908	5.3227	4.1858	4.1858	2.5905	5.1074	2.3969	4.5100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.401	C1	C2	H10	118.694
C1	C5	C7	125.401	C1	C5	H13	115.825
C2	C1	C5	125.401	C2	C1	H9	118.694
C2	C6	C8	125.401	C2	C6	H14	115.825
C3	C4	C8	125.401	C3	C4	H12	118.694
C3	C7	C5	125.401	C3	C7	H15	115.825
C4	C3	C7	125.401	C4	C3	H11	118.694
C4	C8	C6	125.401	C4	C8	H16	115.825
C5	C1	H9	115.825	C5	C7	H15	118.694
C6	C2	H10	115.825	C6	C8	H16	118.694
C7	C3	H11	115.825	C7	C5	H13	118.694
C8	C4	H12	115.825	C8	C6	H14	118.694

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)