CCCBDB listing of experimental data page 2

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Bond Type	Count
C-C	4
C=C	3
H-C	7

Atom 1	Atom 2
C1	C2
C1	C7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C4	C5
C4	H11
C5	C6
C5	H12
C6	C7
C6	H13
C7	H14

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	¹A₁^'	D_7h	True							D_7h	0	1

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	¹A₁^'	D_7h	True						D_7h	0	1

	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	C2
C1	C7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C4	C5
C4	H11
C5	C6
C5	H12
C6	C7
C6	H13
C7	H14

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Atom 1	Atom 2
C1	C2
C1	C7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C4	C5
C4	H11
C5	C6
C5	H12
C6	C7
C6	H13
C7	H14

Experimental data for C7H7 (cycloheptatrienyl radical)

Experimental data for C₇H₇ (cycloheptatrienyl radical)

Atom 1	Atom 2
C1	C2
C1	C7
C1	H8
C2	C3
C2	H9
C3	C4
C3	H10
C4	C5
C4	H11
C5	C6
C5	H12
C6	C7
C6	H13
C7	H14