CCCBDB listing of experimental data page 2

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Bond Type	Count
H-C	6
C-C	5
C=C	4

Atom 1	Atom 2
C1	C2
C1	C7
C1	H9
C2	C3
C2	H10
C3	C8
C3	H11
C4	C5
C4	C8
C4	H12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8

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_g	C_2h	True							C_2h	0	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_g	C_2h	True						C_2h	0	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	C2
C1	C7
C1	H9
C2	C3
C2	H10
C3	C8
C3	H11
C4	C5
C4	C8
C4	H12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8

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Atom 1	Atom 2
C1	C2
C1	C7
C1	H9
C2	C3
C2	H10
C3	C8
C3	H11
C4	C5
C4	C8
C4	H12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8

Experimental data for C8H6 (Pentalene)

Experimental data for C₈H₆ (Pentalene)

Atom 1	Atom 2
C1	C2
C1	C7
C1	H9
C2	C3
C2	H10
C3	C8
C3	H11
C4	C5
C4	C8
C4	H12
C5	C6
C5	H13
C6	C7
C6	H14
C7	C8