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	hartrees
Energy at 0K	-307.593864
Energy at 298.15K	-307.602291
Nuclear repulsion energy	325.499152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3003	0.00
2	A₁	1881	1709	0.00
3	A₁	1332	1210	0.00
4	A₁	961	873	0.00
5	A₁	830	754	0.00
6	A₁	197	179	0.00
7	A₂	3265	2967	0.00
8	A₂	1494	1357	0.00
9	A₂	1133	1029	0.00
10	A₂	1012	919	0.00
11	A₂	262	238	0.00
12	B₁	3277	2977	0.00
13	B₁	1592	1446	0.00
14	B₁	1140	1035	0.00
15	B₁	1075	977	0.00
16	B₁	738	670	0.00
17	B₁	287	260	0.00
18	B₂	3290	2989	47.01
19	B₂	1846	1677	2.01
20	B₂	1330	1209	1.30
21	B₂	755	686	107.39
22	B₂	318	289	1.38
23	E	3298	2996	81.71
23	E	3298	2996	81.71
24	E	3270	2971	2.60
24	E	3270	2971	2.60
25	E	1860	1690	3.16
25	E	1860	1690	3.16
26	E	1547	1405	0.28
26	E	1547	1405	0.28
27	E	1347	1224	0.97
27	E	1347	1224	0.97
28	E	1123	1021	0.03
28	E	1123	1021	0.03
29	E	1030	936	4.42
29	E	1030	936	4.42
30	E	883	802	20.99
30	E	883	802	20.99
31	E	698	635	23.05
31	E	698	635	23.05
32	E	430	390	0.86
32	E	430	390	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.661	1.556	0.381
C2	-0.661	1.556	0.381
C3	0.661	-1.556	0.381
C4	-0.661	-1.556	0.381
C5	1.556	0.661	-0.381
C6	-1.556	0.661	-0.381
C7	1.556	-0.661	-0.381
C8	-1.556	-0.661	-0.381
H9	1.163	2.326	0.948
H10	-1.163	2.326	0.948
H11	1.163	-2.326	0.948
H12	-1.163	-2.326	0.948
H13	2.326	1.163	-0.948
H14	-2.326	1.163	-0.948
H15	2.326	-1.163	-0.948
H16	-2.326	-1.163	-0.948

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3222	3.1130	3.3821	1.4779	2.5100	2.5100	3.2274	1.0793	2.0590	3.9553	4.3265	2.1662	3.2928	3.4542	4.2523
C2	1.3222		3.3821	3.1130	2.5100	1.4779	3.2274	2.5100	2.0590	1.0793	4.3265	3.9553	3.2928	2.1662	4.2523	3.4542
C3	3.1130	3.3821		1.3222	2.5100	3.2274	1.4779	2.5100	3.9553	4.3265	1.0793	2.0590	3.4542	4.2523	2.1662	3.2928
C4	3.3821	3.1130	1.3222		3.2274	2.5100	2.5100	1.4779	4.3265	3.9553	2.0590	1.0793	4.2523	3.4542	3.2928	2.1662
C5	1.4779	2.5100	2.5100	3.2274		3.1130	1.3222	3.3821	2.1662	3.4542	3.2928	4.2523	1.0793	3.9553	2.0590	4.3265
C6	2.5100	1.4779	3.2274	2.5100	3.1130		3.3821	1.3222	3.4542	2.1662	4.2523	3.2928	3.9553	1.0793	4.3265	2.0590
C7	2.5100	3.2274	1.4779	2.5100	1.3222	3.3821		3.1130	3.2928	4.2523	2.1662	3.4542	2.0590	4.3265	1.0793	3.9553
C8	3.2274	2.5100	2.5100	1.4779	3.3821	1.3222	3.1130		4.2523	3.2928	3.4542	2.1662	4.3265	2.0590	3.9553	1.0793
H9	1.0793	2.0590	3.9553	4.3265	2.1662	3.4542	3.2928	4.2523		2.3255	4.6513	5.2002	2.5101	4.1373	4.1373	5.2852
H10	2.0590	1.0793	4.3265	3.9553	3.4542	2.1662	4.2523	3.2928	2.3255		5.2002	4.6513	4.1373	2.5101	5.2852	4.1373
H11	3.9553	4.3265	1.0793	2.0590	3.2928	4.2523	2.1662	3.4542	4.6513	5.2002		2.3255	4.1373	5.2852	2.5101	4.1373
H12	4.3265	3.9553	2.0590	1.0793	4.2523	3.2928	3.4542	2.1662	5.2002	4.6513	2.3255		5.2852	4.1373	4.1373	2.5101
H13	2.1662	3.2928	3.4542	4.2523	1.0793	3.9553	2.0590	4.3265	2.5101	4.1373	4.1373	5.2852		4.6513	2.3255	5.2002
H14	3.2928	2.1662	4.2523	3.4542	3.9553	1.0793	4.3265	2.0590	4.1373	2.5101	5.2852	4.1373	4.6513		5.2002	2.3255
H15	3.4542	4.2523	2.1662	3.2928	2.0590	4.3265	1.0793	3.9553	4.1373	5.2852	2.5101	4.1373	2.3255	5.2002		4.6513
H16	4.2523	3.4542	3.2928	2.1662	4.3265	2.0590	3.9553	1.0793	5.2852	4.1373	4.1373	2.5101	5.2002	2.3255	4.6513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	127.289	C1	C2	H10	117.697
C1	C5	C7	127.289	C1	C5	H13	114.905
C2	C1	C5	127.289	C2	C1	H9	117.697
C2	C6	C8	127.289	C2	C6	H14	114.905
C3	C4	C8	127.289	C3	C4	H12	117.697
C3	C7	C5	127.289	C3	C7	H15	114.905
C4	C3	C7	127.289	C4	C3	H11	117.697
C4	C8	C6	127.289	C4	C8	H16	114.905
C5	C1	H9	114.905	C5	C7	H15	117.697
C6	C2	H10	114.905	C6	C8	H16	117.697
C7	C3	H11	114.905	C7	C5	H13	117.697
C8	C4	H12	114.905	C8	C6	H14	117.697

All results from a given calculation for C₈H₈ (cyclooctatetraene)

using model chemistry: HF/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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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	-0.104
2	C	-0.104
3	C	-0.104
4	C	-0.104
5	C	-0.104
6	C	-0.104
7	C	-0.104
8	C	-0.104
9	H	0.104
10	H	0.104
11	H	0.104
12	H	0.104
13	H	0.104
14	H	0.104
15	H	0.104
16	H	0.104

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	13.936	0.000	0.000
y	0.000	13.936	0.000
z	0.000	0.000	7.368

<r²>	234.355
(<r²>)^1/2	15.309

All results from a given calculation for C8H8 (cyclooctatetraene)

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

States and conformations

All results from a given calculation for C₈H₈ (cyclooctatetraene)