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	hartrees
Energy at 0K	-254.783208
Energy at 298.15K	-254.785566
HF Energy	-254.783208
Nuclear repulsion energy	74.687147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3167	1.63
2	A'	1293	1282	38.36
3	A'	932	924	30.18
4	A'	468	464	1.86
5	A"	1396	1384	17.55
6	A"	787	780	164.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.594	0.000
H2	-0.972	0.849	0.000
F3	0.039	-0.278	1.120
F4	0.039	-0.278	-1.120

	N1	H2	F3	F4
N1		1.0428	1.4202	1.4202
H2	1.0428		1.8837	1.8837
F3	1.4202	1.8837		2.2409
F4	1.4202	1.8837	2.2409

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	98.618		H2	N1	F4	98.618
F3	N1	F4	104.174

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/cc-pVDZ

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	0.229
2	H	0.148
3	F	-0.189
4	F	-0.189

	x	y	z	Total
	-1.610	1.005	0.000	1.898
CHELPG
AIM
ESP

	x	y	z
x	1.256	-0.247	0.000
y	-0.247	1.470	0.000
z	0.000	0.000	2.282

<r²>	37.685
(<r²>)^1/2	6.139

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)