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	hartrees
Energy at 0K	-254.760123
Energy at 298.15K	-254.762493
HF Energy	-254.760123
Nuclear repulsion energy	74.760811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3156	6.82
2	A'	1320	1294	36.78
3	A'	960	942	27.87
4	A'	468	459	1.71
5	A"	1419	1391	16.58
6	A"	829	813	161.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.594	0.000
H2	-0.967	0.854	0.000
F3	0.039	-0.279	1.119
F4	0.039	-0.279	-1.119

	N1	H2	F3	F4
N1		1.0383	1.4192	1.4192
H2	1.0383		1.8831	1.8831
F3	1.4192	1.8831		2.2378
F4	1.4192	1.8831	2.2378

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	98.859		H2	N1	F4	98.859
F3	N1	F4	104.072

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.113
2	H	0.346
3	F	-0.230
4	F	-0.230

	x	y	z	Total
	-1.632	0.901	0.000	1.864
CHELPG
AIM
ESP

	x	y	z
x	1.462	-0.255	0.000
y	-0.255	1.586	0.000
z	0.000	0.000	2.345

<r²>	37.545
(<r²>)^1/2	6.127

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)