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	hartrees
Energy at 0K	-307.538391
Energy at 298.15K	-307.546801
Nuclear repulsion energy	325.365453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3326	3002	0.00
2	A₁	1901	1716	0.00
3	A₁	1342	1211	0.00
4	A₁	970	875	0.00
5	A₁	838	756	0.00
6	A₁	196	177	0.00
7	A₂	3285	2965	0.00
8	A₂	1502	1356	0.00
9	A₂	1139	1028	0.00
10	A₂	1017	918	0.00
11	A₂	262	236	0.00
12	B₁	3297	2976	0.00
13	B₁	1603	1447	0.00
14	B₁	1147	1036	0.00
15	B₁	1082	976	0.00
16	B₁	740	668	0.00
17	B₁	286	259	0.00
18	B₂	3309	2987	52.36
19	B₂	1868	1686	1.66
20	B₂	1339	1209	0.86
21	B₂	760	686	92.58
22	B₂	320	289	0.90
23	E	3318	2994	92.60
23	E	3318	2994	92.60
24	E	3290	2969	2.35
24	E	3290	2969	2.35
25	E	1880	1697	2.83
25	E	1880	1697	2.83
26	E	1557	1406	0.05
26	E	1557	1406	0.05
27	E	1356	1224	0.86
27	E	1356	1224	0.86
28	E	1128	1018	0.02
28	E	1128	1018	0.02
29	E	1040	939	4.05
29	E	1040	939	4.05
30	E	890	803	17.06
30	E	890	803	17.06
31	E	701	633	21.02
31	E	701	633	21.02
32	E	429	387	0.51
32	E	429	387	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.662	1.557	0.381
C2	-0.662	1.557	0.381
C3	0.662	-1.557	0.381
C4	-0.662	-1.557	0.381
C5	1.557	0.662	-0.381
C6	-1.557	0.662	-0.381
C7	1.557	-0.662	-0.381
C8	-1.557	-0.662	-0.381
H9	1.163	2.326	0.949
H10	-1.163	2.326	0.949
H11	1.163	-2.326	0.949
H12	-1.163	-2.326	0.949
H13	2.326	1.163	-0.949
H14	-2.326	1.163	-0.949
H15	2.326	-1.163	-0.949
H16	-2.326	-1.163	-0.949

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3233	3.1147	3.3842	1.4778	2.5111	2.5111	3.2291	1.0796	2.0603	3.9566	4.3283	2.1662	3.2936	3.4554	4.2539
C2	1.3233		3.3842	3.1147	2.5111	1.4778	3.2291	2.5111	2.0603	1.0796	4.3283	3.9566	3.2936	2.1662	4.2539	3.4554
C3	3.1147	3.3842		1.3233	2.5111	3.2291	1.4778	2.5111	3.9566	4.3283	1.0796	2.0603	3.4554	4.2539	2.1662	3.2936
C4	3.3842	3.1147	1.3233		3.2291	2.5111	2.5111	1.4778	4.3283	3.9566	2.0603	1.0796	4.2539	3.4554	3.2936	2.1662
C5	1.4778	2.5111	2.5111	3.2291		3.1147	1.3233	3.3842	2.1662	3.4554	3.2936	4.2539	1.0796	3.9566	2.0603	4.3283
C6	2.5111	1.4778	3.2291	2.5111	3.1147		3.3842	1.3233	3.4554	2.1662	4.2539	3.2936	3.9566	1.0796	4.3283	2.0603
C7	2.5111	3.2291	1.4778	2.5111	1.3233	3.3842		3.1147	3.2936	4.2539	2.1662	3.4554	2.0603	4.3283	1.0796	3.9566
C8	3.2291	2.5111	2.5111	1.4778	3.3842	1.3233	3.1147		4.2539	3.2936	3.4554	2.1662	4.3283	2.0603	3.9566	1.0796
H9	1.0796	2.0603	3.9566	4.3283	2.1662	3.4554	3.2936	4.2539		2.3269	4.6519	5.2013	2.5108	4.1386	4.1386	5.2870
H10	2.0603	1.0796	4.3283	3.9566	3.4554	2.1662	4.2539	3.2936	2.3269		5.2013	4.6519	4.1386	2.5108	5.2870	4.1386
H11	3.9566	4.3283	1.0796	2.0603	3.2936	4.2539	2.1662	3.4554	4.6519	5.2013		2.3269	4.1386	5.2870	2.5108	4.1386
H12	4.3283	3.9566	2.0603	1.0796	4.2539	3.2936	3.4554	2.1662	5.2013	4.6519	2.3269		5.2870	4.1386	4.1386	2.5108
H13	2.1662	3.2936	3.4554	4.2539	1.0796	3.9566	2.0603	4.3283	2.5108	4.1386	4.1386	5.2870		4.6519	2.3269	5.2013
H14	3.2936	2.1662	4.2539	3.4554	3.9566	1.0796	4.3283	2.0603	4.1386	2.5108	5.2870	4.1386	4.6519		5.2013	2.3269
H15	3.4554	4.2539	2.1662	3.2936	2.0603	4.3283	1.0796	3.9566	4.1386	5.2870	2.5108	4.1386	2.3269	5.2013		4.6519
H16	4.2539	3.4554	3.2936	2.1662	4.3283	2.0603	3.9566	1.0796	5.2870	4.1386	4.1386	2.5108	5.2013	2.3269	4.6519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	127.309	C1	C2	H10	117.697
C1	C5	C7	127.309	C1	C5	H13	114.892
C2	C1	C5	127.309	C2	C1	H9	117.697
C2	C6	C8	127.309	C2	C6	H14	114.892
C3	C4	C8	127.309	C3	C4	H12	117.697
C3	C7	C5	127.309	C3	C7	H15	114.892
C4	C3	C7	127.309	C4	C3	H11	117.697
C4	C8	C6	127.309	C4	C8	H16	114.892
C5	C1	H9	114.892	C5	C7	H15	117.697
C6	C2	H10	114.892	C6	C8	H16	117.697
C7	C3	H11	114.892	C7	C5	H13	117.697
C8	C4	H12	114.892	C8	C6	H14	117.697

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: HF/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.137
2	C	-0.137
3	C	-0.137
4	C	-0.137
5	C	-0.137
6	C	-0.137
7	C	-0.137
8	C	-0.137
9	H	0.137
10	H	0.137
11	H	0.137
12	H	0.137
13	H	0.137
14	H	0.137
15	H	0.137
16	H	0.137

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	13.333	0.000	0.000
y	0.000	13.333	0.000
z	0.000	0.000	6.438

<r²>	234.172
(<r²>)^1/2	15.303

All results from a given calculation for C8H8 (cyclooctatetraene)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)