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	hartrees
Energy at 0K	-254.660549
Energy at 298.15K	-254.663011
HF Energy	-254.660549
Nuclear repulsion energy	76.293284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3262	1.49
2	A'	1344	1284	50.67
3	A'	1040	993	33.55
4	A'	515	492	2.48
5	A"	1479	1412	19.82
6	A"	943	901	191.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.585	0.000
H2	-0.949	0.874	0.000
F3	0.038	-0.276	1.092
F4	0.038	-0.276	-1.092

	N1	H2	F3	F4
N1		1.0286	1.3903	1.3903
H2	1.0286		1.8679	1.8679
F3	1.3903	1.8679		2.1832
F4	1.3903	1.8679	2.1832

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.033		H2	N1	F4	100.033
F3	N1	F4	103.473

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: PBE1PBE/6-31+G**

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	0.024
2	H	0.329
3	F	-0.177
4	F	-0.177

	x	y	z	Total
	-1.735	1.104	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	1.693	-0.174	0.000
y	-0.174	1.970	0.000
z	0.000	0.000	2.634

<r²>	36.846
(<r²>)^1/2	6.070

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for NHF₂ (difluoramine)