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	hartrees
Energy at 0K	-253.716037
Energy at 298.15K	-253.718490
HF Energy	-253.716037
Nuclear repulsion energy	76.869539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3154	1.87
2	A'	1300	1281	52.37
3	A'	1041	1025	15.63
4	A'	512	504	1.81
5	A"	1407	1386	24.63
6	A"	935	921	143.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.577	0.000
H2	-0.959	0.881	0.000
F3	0.038	-0.273	1.083
F4	0.038	-0.273	-1.083

	N1	H2	F3	F4
N1		1.0428	1.3766	1.3766
H2	1.0428		1.8709	1.8709
F3	1.3766	1.8709		2.1658
F4	1.3766	1.8709	2.1658

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.386		H2	N1	F4	100.386
F3	N1	F4	103.744

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: SVWN/6-31G(2df,p)

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	-0.079
2	H	0.303
3	F	-0.112
4	F	-0.112

	x	y	z	Total
	-1.541	0.747	0.000	1.712
CHELPG
AIM
ESP

	x	y	z
x	1.713	-0.248	0.000
y	-0.248	1.794	0.000
z	0.000	0.000	2.407

<r²>	35.976
(<r²>)^1/2	5.998

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: SVWN/6-31G(2df,p)

States and conformations

All results from a given calculation for NHF₂ (difluoramine)