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	hartrees
Energy at 0K	-251.295876
Energy at 298.15K	-251.298256
HF Energy	-251.295876
Nuclear repulsion energy	73.370463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	2800	54.48
2	A'	1304	1163	28.18
3	A'	1163	1038	2.27
4	A'	470	419	1.71
5	A"	1411	1259	2.63
6	A"	1137	1015	37.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.041	0.613	0.000
H2	-1.022	0.930	0.000
F3	0.041	-0.290	1.127
F4	0.041	-0.290	-1.127

	N1	H2	F3	F4
N1		1.1090	1.4438	1.4438
H2	1.1090		1.9718	1.9718
F3	1.4438	1.9718		2.2538
F4	1.4438	1.9718	2.2538

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.317		H2	N1	F4	100.317
F3	N1	F4	102.615

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B3LYP/STO-3G

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	-0.072
2	H	0.159
3	F	-0.043
4	F	-0.043

	x	y	z	Total
	-1.391	0.068	0.000	1.393
CHELPG
AIM
ESP

	x	y	z
x	0.711	-0.371	0.000
y	-0.371	0.813	0.000
z	0.000	0.000	1.482

<r²>	37.377
(<r²>)^1/2	6.114

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for NHF₂ (difluoramine)