CCCBDB listing of experimental data page 2

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Bond Type	Count
H-C	8
C-C	4
C=C	3

Atom 1	Atom 2
C1	H2
C1	H3
C1	C4
C1	C5
C4	C6
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C9
C7	H13
C8	C9
C8	H14
C9	H15

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True	0.240		0.060	0.250	1965But:1833-1836	MW μ₀	C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True						C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom 1	Atom 2
C1	H2
C1	H3
C1	C4
C1	C5
C4	C6
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C9
C7	H13
C8	C9
C8	H14
C9	H15

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Atom 1	Atom 2
C1	H2
C1	H3
C1	C4
C1	C5
C4	C6
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C9
C7	H13
C8	C9
C8	H14
C9	H15

Experimental data for C7H8 (cycloheptatriene)

Experimental data for C₇H₈ (cycloheptatriene)

Atom 1	Atom 2
C1	H2
C1	H3
C1	C4
C1	C5
C4	C6
C4	H10
C5	C7
C5	H11
C6	C8
C6	H12
C7	C9
C7	H13
C8	C9
C8	H14
C9	H15