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	hartrees
Energy at 0K	-308.780665
Energy at 298.15K	-308.788262
HF Energy	-307.574938
Nuclear repulsion energy	324.875480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3020	0.00
2	A₁	1714	1624	0.00
3	A₁	1241	1176	0.00
4	A₁	913	864	0.00
5	A₁	768	727	0.00
6	A₁	189	179	0.00
7	A₂	3158	2991	0.00
8	A₂	1382	1309	0.00
9	A₂	946	896	0.00
10	A₂	920	871	0.00
11	A₂	213	201	0.00
12	B₁	3166	2998	0.00
13	B₁	1486	1408	0.00
14	B₁	1057	1001	0.00
15	B₁	911	863	0.00
16	B₁	639	605	0.00
17	B₁	221	210	0.00
18	B₂	3179	3011	36.78
19	B₂	1677	1589	2.38
20	B₂	1236	1170	1.45
21	B₂	689	652	94.83
22	B₂	288	273	2.20
23	E	3184	3015	56.07
23	E	3184	3015	56.07
24	E	3161	2994	1.52
24	E	3161	2994	1.52
25	E	1691	1602	0.72
25	E	1691	1602	0.72
26	E	1438	1362	0.88
26	E	1438	1362	0.88
27	E	1252	1185	0.67
27	E	1252	1185	0.67
28	E	983	931	1.72
28	E	983	931	1.72
29	E	948	898	1.49
29	E	948	898	1.49
30	E	812	769	29.93
30	E	812	769	29.93
31	E	627	594	22.56
31	E	627	594	22.56
32	E	346	327	3.60
32	E	346	327	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.674	1.532	0.415
C2	-0.674	1.532	0.415
C3	0.674	-1.532	0.415
C4	-0.674	-1.532	0.415
C5	1.532	0.674	-0.415
C6	-1.532	0.674	-0.415
C7	1.532	-0.674	-0.415
C8	-1.532	-0.674	-0.415
H9	1.184	2.279	1.024
H10	-1.184	2.279	1.024
H11	1.184	-2.279	1.024
H12	-1.184	-2.279	1.024
H13	2.279	1.184	-1.024
H14	-2.279	1.184	-1.024
H15	2.279	-1.184	-1.024
H16	-2.279	-1.184	-1.024

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3478	3.0640	3.3473	1.4702	2.5082	2.5082	3.2281	1.0904	2.0931	3.8929	4.2833	2.1834	3.3031	3.4675	4.2622
C2	1.3478		3.3473	3.0640	2.5082	1.4702	3.2281	2.5082	2.0931	1.0904	4.2833	3.8929	3.3031	2.1834	4.2622	3.4675
C3	3.0640	3.3473		1.3478	2.5082	3.2281	1.4702	2.5082	3.8929	4.2833	1.0904	2.0931	3.4675	4.2622	2.1834	3.3031
C4	3.3473	3.0640	1.3478		3.2281	2.5082	2.5082	1.4702	4.2833	3.8929	2.0931	1.0904	4.2622	3.4675	3.3031	2.1834
C5	1.4702	2.5082	2.5082	3.2281		3.0640	1.3478	3.3473	2.1834	3.4675	3.3031	4.2622	1.0904	3.8929	2.0931	4.2833
C6	2.5082	1.4702	3.2281	2.5082	3.0640		3.3473	1.3478	3.4675	2.1834	4.2622	3.3031	3.8929	1.0904	4.2833	2.0931
C7	2.5082	3.2281	1.4702	2.5082	1.3478	3.3473		3.0640	3.3031	4.2622	2.1834	3.4675	2.0931	4.2833	1.0904	3.8929
C8	3.2281	2.5082	2.5082	1.4702	3.3473	1.3478	3.0640		4.2622	3.3031	3.4675	2.1834	4.2833	2.0931	3.8929	1.0904
H9	1.0904	2.0931	3.8929	4.2833	2.1834	3.4675	3.3031	4.2622		2.3683	4.5579	5.1365	2.5671	4.1695	4.1695	5.3084
H10	2.0931	1.0904	4.2833	3.8929	3.4675	2.1834	4.2622	3.3031	2.3683		5.1365	4.5579	4.1695	2.5671	5.3084	4.1695
H11	3.8929	4.2833	1.0904	2.0931	3.3031	4.2622	2.1834	3.4675	4.5579	5.1365		2.3683	4.1695	5.3084	2.5671	4.1695
H12	4.2833	3.8929	2.0931	1.0904	4.2622	3.3031	3.4675	2.1834	5.1365	4.5579	2.3683		5.3084	4.1695	4.1695	2.5671
H13	2.1834	3.3031	3.4675	4.2622	1.0904	3.8929	2.0931	4.2833	2.5671	4.1695	4.1695	5.3084		4.5579	2.3683	5.1365
H14	3.3031	2.1834	4.2622	3.4675	3.8929	1.0904	4.2833	2.0931	4.1695	2.5671	5.3084	4.1695	4.5579		5.1365	2.3683
H15	3.4675	4.2622	2.1834	3.3031	2.0931	4.2833	1.0904	3.8929	4.1695	5.3084	2.5671	4.1695	2.3683	5.1365		4.5579
H16	4.2622	3.4675	3.3031	2.1834	4.2833	2.0931	3.8929	1.0904	5.3084	4.1695	4.1695	2.5671	5.1365	2.3683	4.5579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	125.710	C1	C2	H10	117.900
C1	C5	C7	125.710	C1	C5	H13	116.226
C2	C1	C5	125.710	C2	C1	H9	117.900
C2	C6	C8	125.710	C2	C6	H14	116.226
C3	C4	C8	125.710	C3	C4	H12	117.900
C3	C7	C5	125.710	C3	C7	H15	116.226
C4	C3	C7	125.710	C4	C3	H11	117.900
C4	C8	C6	125.710	C4	C8	H16	116.226
C5	C1	H9	116.226	C5	C7	H15	117.900
C6	C2	H10	116.226	C6	C8	H16	117.900
C7	C3	H11	116.226	C7	C5	H13	117.900
C8	C4	H12	116.226	C8	C6	H14	117.900

All results from a given calculation for C₈H₈ (cyclooctatetraene)

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

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)