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	hartrees
Energy at 0K	-254.881078
Energy at 298.15K	-254.883507
HF Energy	-254.881078
Nuclear repulsion energy	75.592625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3350	3210	1.66
2	A'	1340	1283	43.70
3	A'	1017	974	27.13
4	A'	493	472	2.31
5	A"	1464	1402	16.49
6	A"	920	881	148.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.590	0.000
H2	-0.953	0.871	0.000
F3	0.038	-0.278	1.103
F4	0.038	-0.278	-1.103

	N1	H2	F3	F4
N1		1.0301	1.4038	1.4038
H2	1.0301		1.8759	1.8759
F3	1.4038	1.8759		2.2069
F4	1.4038	1.8759	2.2069

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	99.701		H2	N1	F4	99.701
F3	N1	F4	103.637

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B3LYPultrafine/6-31G*

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	0.127
2	H	0.351
3	F	-0.239
4	F	-0.239

	x	y	z	Total
	-1.665	0.944	0.000	1.914
CHELPG
AIM
ESP

	x	y	z
x	1.405	-0.260	0.000
y	-0.260	1.551	0.000
z	0.000	0.000	2.242

<r²>	36.922
(<r²>)^1/2	6.076

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for NHF₂ (difluoramine)