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	hartrees
Energy at 0K	-254.736544
Energy at 298.15K	-254.739016
HF Energy	-254.736544
Nuclear repulsion energy	76.626779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3406	3271	0.19
2	A'	1349	1295	48.71
3	A'	1042	1001	34.09
4	A'	523	502	3.16
5	A"	1485	1426	14.35
6	A"	944	907	169.54

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.578	0.000
H2	-0.942	0.881	0.000
F3	0.038	-0.274	1.089
F4	0.038	-0.274	-1.089

	N1	H2	F3	F4
N1		1.0254	1.3827	1.3827
H2	1.0254		1.8654	1.8654
F3	1.3827	1.8654		2.1774
F4	1.3827	1.8654	2.1774

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.496		H2	N1	F4	100.496
F3	N1	F4	103.882

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: HSEh1PBE/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	0.183
2	H	0.239
3	F	-0.211
4	F	-0.211

	x	y	z	Total
	-1.714	1.059	0.000	2.015
CHELPG
AIM
ESP

	x	y	z
x	1.253	-0.242	0.000
y	-0.242	1.485	0.000
z	0.000	0.000	2.160

<r²>	36.424
(<r²>)^1/2	6.035

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for NHF₂ (difluoramine)