CCCBDB listing of experimental data page 2

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Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBN	1.673		1	2			1995Fui/Fow:113-114	Corrected reverse isotope shift

Bond Type	Count
B-N	1
H-N	3
B-F	3

Atom 1	Atom 2
N1	B2
N1	H6
N1	H7
N1	H8
B2	F3
B2	F4
B2	F5

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	C_3v	True	0.000	0.000	5.903	5.903	2001Fia/Mo:484-493	MB μ₀	C_3v	1	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	C_3v	True						C_3v	1	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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squib	reference	DOI
1995Fui/Fow:113-114	D Fujiang, PW Fowler, AC Legon "Geometric and Electric Properties of the Donor-Acceptor Complex H3N-BF3" J. CHEM. SOC., CHEM. COMMUN., 1995, 113	10.1039/C39950000113
2001Fia/Mo:484-493	DL Fiacco, Y Mo, SW Hunt, ME Ott, A Roberts, KR Leopold "Dipole Moments of Partially Bound Lewis Acid-Base Adducts" J. Phys. Chem. A 2001, 105, 484-493	10.1021/jp0031810

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Experimental data for NH3BF3 (Amminetrifluoroboron)

Experimental data for NH₃BF₃ (Amminetrifluoroboron)