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	hartrees
Energy at 0K	-254.946266
Energy at 298.15K	-254.948740
HF Energy	-254.946266
Nuclear repulsion energy	76.710071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3415	1.73
2	A'	1346	1346	52.29
3	A'	1044	1044	28.44
4	A'	526	526	1.99
5	A"	1494	1494	21.09
6	A"	944	944	179.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.579	0.000
H2	-0.939	0.884	0.000
F3	0.038	-0.274	1.087
F4	0.038	-0.274	-1.087

	N1	H2	F3	F4
N1		1.0234	1.3816	1.3816
H2	1.0234		1.8648	1.8648
F3	1.3816	1.8648		2.1734
F4	1.3816	1.8648	2.1734

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.625		H2	N1	F4	100.625
F3	N1	F4	103.732

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	0.286
2	H	0.288
3	F	-0.287
4	F	-0.287

	x	y	z	Total
	-1.600	1.020	0.000	1.897
CHELPG
AIM
ESP

	x	y	z
x	2.057	-0.139	0.000
y	-0.139	2.327	0.000
z	0.000	0.000	2.905

<r²>	36.453
(<r²>)^1/2	6.038

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)