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	hartrees
Energy at 0K	-254.846852
Energy at 298.15K	-254.849294
HF Energy	-254.612910
Nuclear repulsion energy	76.114271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3413	3413	2.95
2	A'	1346	1346	49.63
3	A'	1002	1002	27.08
4	A'	506	506	1.86
5	A"	1481	1481	22.83
6	A"	899	899	170.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.586	0.000
H2	-0.944	0.876	0.000
F3	0.038	-0.277	1.095
F4	0.038	-0.277	-1.095

	N1	H2	F3	F4
N1		1.0240	1.3941	1.3941
H2	1.0240		1.8688	1.8688
F3	1.3941	1.8688		2.1899
F4	1.3941	1.8688	2.1899

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.089		H2	N1	F4	100.089
F3	N1	F4	103.518

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	0.436
2	H	0.177
3	F	-0.306
4	F	-0.306

	x	y	z	Total
	-1.625	1.082	0.000	1.953
CHELPG
AIM
ESP

	x	y	z
x	1.921	-0.145	0.000
y	-0.145	2.226	0.000
z	0.000	0.000	2.877

<r²>	37.006
(<r²>)^1/2	6.083

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NHF₂ (difluoramine)