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	hartrees
Energy at 0K	-254.817143
Energy at 298.15K	-254.819503
HF Energy	-254.817143
Nuclear repulsion energy	74.601503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3224	0.15
2	A'	1306	1306	41.04
3	A'	933	933	30.16
4	A'	468	468	1.02
5	A"	1408	1408	23.68
6	A"	783	783	193.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.599	0.000
H2	-0.969	0.856	0.000
F3	0.039	-0.280	1.119
F4	0.039	-0.280	-1.119

	N1	H2	F3	F4
N1		1.0403	1.4233	1.4233
H2	1.0403		1.8867	1.8867
F3	1.4233	1.8867		2.2386
F4	1.4233	1.8867	2.2386

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	98.768		H2	N1	F4	98.768
F3	N1	F4	103.701

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B97D3/aug-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	0.532
2	H	0.138
3	F	-0.335
4	F	-0.335

	x	y	z	Total
	-1.573	1.057	0.000	1.895
CHELPG
AIM
ESP

	x	y	z
x	2.091	-0.157	0.000
y	-0.157	2.381	0.000
z	0.000	0.000	3.132

<r²>	38.128
(<r²>)^1/2	6.175

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for NHF₂ (difluoramine)