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	hartrees
Energy at 0K	-308.689450
Energy at 298.15K	-308.697032
HF Energy	-307.588977
Nuclear repulsion energy	324.561043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3029	0.00
2	A₁	1707	1622	0.00
3	A₁	1220	1159	0.00
4	A₁	908	863	0.00
5	A₁	764	726	0.00
6	A₁	189	180	0.00
7	A₂	3155	2998	0.00
8	A₂	1363	1295	0.00
9	A₂	954	907	0.00
10	A₂	911	866	0.00
11	A₂	210	200	0.00
12	B₁	3164	3006	0.00
13	B₁	1473	1399	0.00
14	B₁	1048	996	0.00
15	B₁	918	873	0.00
16	B₁	629	597	0.00
17	B₁	216	206	0.00
18	B₂	3178	3019	35.16
19	B₂	1667	1584	1.63
20	B₂	1220	1160	0.98
21	B₂	686	652	84.23
22	B₂	287	272	1.51
23	E	3183	3024	53.06
23	E	3183	3024	53.06
24	E	3159	3002	1.14
24	E	3159	3002	1.14
25	E	1682	1599	1.03
25	E	1682	1599	1.03
26	E	1422	1351	0.24
26	E	1422	1351	0.24
27	E	1234	1172	1.20
27	E	1234	1172	1.20
28	E	977	929	1.54
28	E	977	929	1.54
29	E	957	909	1.94
29	E	957	909	1.94
30	E	807	767	25.99
30	E	807	767	25.99
31	E	623	592	19.00
31	E	623	592	19.00
32	E	343	326	2.98
32	E	343	326	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	1.534	0.415
C2	-0.675	1.534	0.415
C3	0.675	-1.534	0.415
C4	-0.675	-1.534	0.415
C5	1.534	0.675	-0.415
C6	-1.534	0.675	-0.415
C7	1.534	-0.675	-0.415
C8	-1.534	-0.675	-0.415
H9	1.184	2.284	1.021
H10	-1.184	2.284	1.021
H11	1.184	-2.284	1.021
H12	-1.184	-2.284	1.021
H13	2.284	1.184	-1.021
H14	-2.284	1.184	-1.021
H15	2.284	-1.184	-1.021
H16	-2.284	-1.184	-1.021

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3490	3.0679	3.3514	1.4719	2.5110	2.5110	3.2317	1.0903	2.0939	3.8989	4.2892	2.1846	3.3067	3.4699	4.2664
C2	1.3490		3.3514	3.0679	2.5110	1.4719	3.2317	2.5110	2.0939	1.0903	4.2892	3.8989	3.3067	2.1846	4.2664	3.4699
C3	3.0679	3.3514		1.3490	2.5110	3.2317	1.4719	2.5110	3.8989	4.2892	1.0903	2.0939	3.4699	4.2664	2.1846	3.3067
C4	3.3514	3.0679	1.3490		3.2317	2.5110	2.5110	1.4719	4.2892	3.8989	2.0939	1.0903	4.2664	3.4699	3.3067	2.1846
C5	1.4719	2.5110	2.5110	3.2317		3.0679	1.3490	3.3514	2.1846	3.4699	3.3067	4.2664	1.0903	3.8989	2.0939	4.2892
C6	2.5110	1.4719	3.2317	2.5110	3.0679		3.3514	1.3490	3.4699	2.1846	4.2664	3.3067	3.8989	1.0903	4.2892	2.0939
C7	2.5110	3.2317	1.4719	2.5110	1.3490	3.3514		3.0679	3.3067	4.2664	2.1846	3.4699	2.0939	4.2892	1.0903	3.8989
C8	3.2317	2.5110	2.5110	1.4719	3.3514	1.3490	3.0679		4.2664	3.3067	3.4699	2.1846	4.2892	2.0939	3.8989	1.0903
H9	1.0903	2.0939	3.8989	4.2892	2.1846	3.4699	3.3067	4.2664		2.3690	4.5674	5.1452	2.5656	4.1716	4.1716	5.3125
H10	2.0939	1.0903	4.2892	3.8989	3.4699	2.1846	4.2664	3.3067	2.3690		5.1452	4.5674	4.1716	2.5656	5.3125	4.1716
H11	3.8989	4.2892	1.0903	2.0939	3.3067	4.2664	2.1846	3.4699	4.5674	5.1452		2.3690	4.1716	5.3125	2.5656	4.1716
H12	4.2892	3.8989	2.0939	1.0903	4.2664	3.3067	3.4699	2.1846	5.1452	4.5674	2.3690		5.3125	4.1716	4.1716	2.5656
H13	2.1846	3.3067	3.4699	4.2664	1.0903	3.8989	2.0939	4.2892	2.5656	4.1716	4.1716	5.3125		4.5674	2.3690	5.1452
H14	3.3067	2.1846	4.2664	3.4699	3.8989	1.0903	4.2892	2.0939	4.1716	2.5656	5.3125	4.1716	4.5674		5.1452	2.3690
H15	3.4699	4.2664	2.1846	3.3067	2.0939	4.2892	1.0903	3.8989	4.1716	5.3125	2.5656	4.1716	2.3690	5.1452		4.5674
H16	4.2664	3.4699	3.3067	2.1846	4.2892	2.0939	3.8989	1.0903	5.3125	4.1716	4.1716	2.5656	5.1452	2.3690	4.5674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.727	C1	C2	H10	117.887
C1	C5	C7	125.727	C1	C5	H13	116.206
C2	C1	C5	125.727	C2	C1	H9	117.887
C2	C6	C8	125.727	C2	C6	H14	116.206
C3	C4	C8	125.727	C3	C4	H12	117.887
C3	C7	C5	125.727	C3	C7	H15	116.206
C4	C3	C7	125.727	C4	C3	H11	117.887
C4	C8	C6	125.727	C4	C8	H16	116.206
C5	C1	H9	116.206	C5	C7	H15	117.887
C6	C2	H10	116.206	C6	C8	H16	117.887
C7	C3	H11	116.206	C7	C5	H13	117.887
C8	C4	H12	116.206	C8	C6	H14	117.887

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)