CCCBDB listing of experimental data page 2

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Bond Type	Count
H-C	12
C-C	5
C-O	2

Atom 1	Atom 2
O1	C2
O1	C7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	C7
C6	H16
C6	H17
C7	H18
C7	H19

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	C₁	True							C₁	3	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	C₁	True						C₁	3	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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Atom 1	Atom 2
O1	C2
O1	C7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	C7
C6	H16
C6	H17
C7	H18
C7	H19

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Atom 1	Atom 2
O1	C2
O1	C7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	C7
C6	H16
C6	H17
C7	H18
C7	H19

Experimental data for C6H12O (Oxepane)

Experimental data for C₆H₁₂O (Oxepane)

Atom 1	Atom 2
O1	C2
O1	C7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	C5
C4	H12
C4	H13
C5	C6
C5	H14
C5	H15
C6	C7
C6	H16
C6	H17
C7	H18
C7	H19