CCCBDB listing of experimental data page 2

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Bond Type	Count
C=C	1
C-C	4
H-C	12

Atom 1	Atom 2
C1	C2
C1	C3
C1	H7
C2	C4
C2	H8
C3	C5
C3	H9
C3	H10
C4	C6
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18

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_i	True							C_i	0	5

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_i	True						C_i	0	5

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C2
C1	C3
C1	H7
C2	C4
C2	H8
C3	C5
C3	H9
C3	H10
C4	C6
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18

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Atom 1	Atom 2
C1	C2
C1	C3
C1	H7
C2	C4
C2	H8
C3	C5
C3	H9
C3	H10
C4	C6
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18

Experimental data for C6H12 ((E)-hex-3-ene)

Experimental data for C₆H₁₂ ((E)-hex-3-ene)

Atom 1	Atom 2
C1	C2
C1	C3
C1	H7
C2	C4
C2	H8
C3	C5
C3	H9
C3	H10
C4	C6
C4	H11
C4	H12
C5	H13
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18