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	hartrees
Energy at 0K	-253.438141
Energy at 298.15K	-253.440519
HF Energy	-253.438141
Nuclear repulsion energy	73.091537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3096	0.69
2	A'	1271	1205	54.01
3	A'	979	928	12.06
4	A'	435	412	4.87
5	A"	1404	1330	22.67
6	A"	952	902	75.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.616	0.000
H2	-0.967	0.878	0.000
F3	0.039	-0.288	1.142
F4	0.039	-0.288	-1.142

	N1	H2	F3	F4
N1		1.0395	1.4562	1.4562
H2	1.0395		1.9172	1.9172
F3	1.4562	1.9172		2.2833
F4	1.4562	1.9172	2.2833

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.017		H2	N1	F4	99.017
F3	N1	F4	103.248

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: wB97X-D/3-21G*

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	0.032
2	H	0.365
3	F	-0.199
4	F	-0.199

	x	y	z	Total
	-1.969	1.113	0.000	2.262
CHELPG
AIM
ESP

	x	y	z
x	0.942	-0.309	0.000
y	-0.309	1.210	0.000
z	0.000	0.000	2.101

<r²>	38.774
(<r²>)^1/2	6.227

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)