CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	3269		webbook
2	A'	1568		webbook
3	A'	1244		webbook
4	A'	934		webbook
5	A"	3346		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNF	1.433		1	2			1987Chr/Min:7020	r0
rNH	1.023		1	3			1987Chr/Min:7020
aHNF	101.08		2	1	3		1987Chr/Min:7020
aHNH	106.27		3	1	4		1987Chr/Min:7020

Atom	x (Å)	y (Å)	z (Å)
N1	0.0646	0.6946	0.0000
F2	0.0646	-0.7383	0.0000
H3	-0.5165	0.8911	0.8181
H4	-0.5165	0.8911	-0.8181

	N1	F2	H3	H4
N1		1.4329	1.0225	1.0225
F2	1.4329		1.9136	1.9136
H3	1.0225	1.9136		1.6361
H4	1.0225	1.9136	1.6361

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	H3	101.080		F2	N1	H4	101.080
H3	N1	H4	106.270

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	1.580	1.630		2.270	1987Chr/Min:7020	MW μ₀ ±0.18 D	C_s	2	3

squib	reference	DOI
1987Chr/Min:7020	D Christen, R Minkwitz, R Nass "Microwave Spectrum, Inversion, and Molecular Structure of Monofluoroamine, FNH2" J. Am. Chem. Soc. 1987, 109, 7020-7024	10.1021/ja00257a019
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N-F	1
H-N	2

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Experimental data for NH2F (monofluoroamine)

Experimental data for NH₂F (monofluoroamine)