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	hartrees
Energy at 0K	-254.870069
Energy at 298.15K	-254.872578
HF Energy	-254.870069
Nuclear repulsion energy	77.046529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3449	0.27
2	A'	1392	1392	50.27
3	A'	1088	1088	36.49
4	A'	545	545	3.75
5	A"	1541	1541	12.83
6	A"	1018	1018	159.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.579	0.000
H2	-0.939	0.888	0.000
F3	0.038	-0.274	1.079
F4	0.038	-0.274	-1.079

	N1	H2	F3	F4
N1		1.0240	1.3759	1.3759
H2	1.0240		1.8627	1.8627
F3	1.3759	1.8627		2.1589
F4	1.3759	1.8627	2.1589

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.801		H2	N1	F4	100.801
F3	N1	F4	103.359

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: M06-2X/6-311G*

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	0.051
2	H	0.361
3	F	-0.206
4	F	-0.206

	x	y	z	Total
	-1.742	1.119	0.000	2.070
CHELPG
AIM
ESP

	x	y	z
x	1.215	-0.251	0.000
y	-0.251	1.449	0.000
z	0.000	0.000	2.073

<r²>	36.125
(<r²>)^1/2	6.010

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)