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'	3193		webbook					NH stretch
2	A'	1307							NH bend
3	A'	972							NF₂ s-str
4	A'	500							NF₂ sciss
5	A"	1424							NH bend
6	A"	888							NF₂ a-str

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNF	1.400	0.002	1	3			1963Lid:456
rHN	1.026	0.002	1	2			1963Lid:456
aFNF	102.9	0.2	3	1	4		1963Lid:456
aHNF	99.8	0.2	2	1	3		1963Lid:456

Atom	x (Å)	y (Å)	z (Å)
N1	0.0380	0.5932	0.0000
H2	-0.9490	0.8735	0.0000
F3	0.0380	-0.2792	1.0949
F4	0.0380	-0.2792	-1.0949

	N1	H2	F3	F4
N1		1.0260	1.4000	1.4000
H2	1.0260		1.8713	1.8713
F3	1.4000	1.8713		2.1898
F4	1.4000	1.8713	2.1898

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.800		H2	N1	F4	99.800
F3	N1	F4	102.900

	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	1.260	1.440	0.000	1.920	1963Lid:456	x=b, y=c	C_s	2	3

squib	reference	DOI
1963Lid:456	DR Lide "Microwave Spectrum abnd Structure of Difluoramine" J. Chem. Phys. 38, 456, 1963	10.1063/1.1733680
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-N	1
N-F	2

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Experimental data for NHF2 (difluoramine)

Experimental data for NHF₂ (difluoramine)