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	hartrees
Energy at 0K	-254.789166
Energy at 298.15K	-254.791615
HF Energy	-254.789166
Nuclear repulsion energy	76.075802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3372	3226	1.43
2	A'	1351	1292	46.04
3	A'	1041	996	27.05
4	A'	505	483	2.38
5	A"	1478	1414	17.20
6	A"	946	905	152.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.585	0.000
H2	-0.951	0.871	0.000
F3	0.038	-0.276	1.096
F4	0.038	-0.276	-1.096

	N1	H2	F3	F4
N1		1.0290	1.3940	1.3940
H2	1.0290		1.8691	1.8691
F3	1.3940	1.8691		2.1927
F4	1.3940	1.8691	2.1927

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.869		H2	N1	F4	99.869
F3	N1	F4	103.721

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B3PW91/6-31G*

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	0.120
2	H	0.363
3	F	-0.242
4	F	-0.242

	x	y	z	Total
	-1.677	0.927	0.000	1.916
CHELPG
AIM
ESP

	x	y	z
x	1.399	-0.252	0.000
y	-0.252	1.538	0.000
z	0.000	0.000	2.204

<r²>	36.556
(<r²>)^1/2	6.046

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)