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	hartrees
Energy at 0K	-254.890193
Energy at 298.15K	-254.892562
HF Energy	-254.890193
Nuclear repulsion energy	74.933927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3196	0.58
2	A'	1308	1290	42.14
3	A'	941	928	32.12
4	A'	476	469	1.32
5	A"	1418	1398	21.31
6	A"	794	783	190.54

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.593	0.000
H2	-0.961	0.859	0.000
F3	0.038	-0.278	1.116
F4	0.038	-0.278	-1.116

	N1	H2	F3	F4
N1		1.0344	1.4162	1.4162
H2	1.0344		1.8809	1.8809
F3	1.4162	1.8809		2.2317
F4	1.4162	1.8809	2.2317

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.079		H2	N1	F4	99.079
F3	N1	F4	103.989

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/Def2TZVPP

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	0.089
2	H	0.195
3	F	-0.142
4	F	-0.142

	x	y	z	Total
	-1.612	1.010	0.000	1.902
CHELPG
AIM
ESP

	x	y	z
x	1.712	-0.196	0.000
y	-0.196	1.967	0.000
z	0.000	0.000	2.737

<r²>	37.745
(<r²>)^1/2	6.144

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for NHF₂ (difluoramine)