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	hartrees
Energy at 0K	-254.723635
Energy at 298.15K	-254.726008
HF Energy	-254.723635
Nuclear repulsion energy	74.856170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3192	3.49
2	A'	1322	1308	38.56
3	A'	950	940	32.00
4	A'	473	468	2.20
5	A"	1419	1404	14.50
6	A"	811	803	175.22

Atom	x (Å)	y (Å)	z (Å)
N1	0.039	0.594	0.000
H2	-0.964	0.864	0.000
F3	0.039	-0.279	1.116
F4	0.039	-0.279	-1.116

	N1	H2	F3	F4
N1		1.0387	1.4174	1.4174
H2	1.0387		1.8866	1.8866
F3	1.4174	1.8866		2.2326
F4	1.4174	1.8866	2.2326

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.215		H2	N1	F4	99.215
F3	N1	F4	103.920

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: PBEPBE/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	0.010
2	H	0.349
3	F	-0.179
4	F	-0.179

	x	y	z	Total
	-1.719	0.991	0.000	1.984
CHELPG
AIM
ESP

	x	y	z
x	1.308	-0.254	0.000
y	-0.254	1.531	0.000
z	0.000	0.000	2.322

<r²>	37.765
(<r²>)^1/2	6.145

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)