CCCBDB listing of experimental data page 2

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Bond Type	Count
H-C	9
H-O	1
C-C	3
C-O	1

Atom 1	Atom 2
C1	C2
C1	O5
C1	H6
C1	H7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
O5	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							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^'	C_s	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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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C2
C1	O5
C1	H6
C1	H7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
O5	H15

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Atom 1	Atom 2
C1	C2
C1	O5
C1	H6
C1	H7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
O5	H15

Experimental data for C4H10O+ (1-Butanol cation)

Experimental data for C₄H₁₀O⁺ (1-Butanol cation)

Atom 1	Atom 2
C1	C2
C1	O5
C1	H6
C1	H7
C2	C3
C2	H8
C2	H9
C3	C4
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
O5	H15