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	hartrees
Energy at 0K	-254.815921
Energy at 298.15K	-254.818353
HF Energy	-254.619083
Nuclear repulsion energy	75.665743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3398	3243	0.87
2	A'	1331	1271	44.24
3	A'	989	944	35.42
4	A'	500	478	2.67
5	A"	1450	1384	14.07
6	A"	889	848	176.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.038	0.589	0.000
H2	-0.945	0.881	0.000
F3	0.038	-0.278	1.102
F4	0.038	-0.278	-1.102

	N1	H2	F3	F4
N1		1.0254	1.4026	1.4026
H2	1.0254		1.8774	1.8774
F3	1.4026	1.8774		2.2046
F4	1.4026	1.8774	2.2046

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	F3	100.128		H2	N1	F4	100.128
F3	N1	F4	103.607

All results from a given calculation for NHF₂ (difluoramine)

using model chemistry: B2PLYP/TZVP

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.109
2	H	0.226
3	F	-0.168
4	F	-0.168

	x	y	z	Total
	-1.758	1.165	0.000	2.109
CHELPG
AIM
ESP

	x	y	z
x	1.475	-0.217	0.000
y	-0.217	1.760	0.000
z	0.000	0.000	2.482

<r²>	37.344
(<r²>)^1/2	6.111

All results from a given calculation for NHF2 (difluoramine)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for NHF₂ (difluoramine)