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	hartrees
Energy at 0K	-225.245499
Energy at 298.15K	-225.246705
Nuclear repulsion energy	59.883970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2780	2672	70.27
2	A₁	1062	1021	114.51
3	A₁	479	461	25.82
4	B₁	907	872	56.26
5	B₂	1332	1280	365.40
6	B₂	1072	1030	0.64

Atom	y (Å)	z (Å)
B1	0.000	0.481
H2	0.000	1.660
F3	1.165	-0.226
F4	-1.165	-0.226

	B1	H2	F3	F4
B1		1.1790	1.3627	1.3627
H2	1.1790		2.2165	2.2165
F3	1.3627	2.2165		2.3305
F4	1.3627	2.2165	2.3305

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.227		H2	B1	F4	121.227
F3	B1	F4	117.546

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B3LYP/LANL2DZ

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	B	0.325
2	H	0.149
3	F	-0.237
4	F	-0.237

	x	y	z	Total
	0.000	0.000	1.494	1.494
CHELPG
AIM
ESP

<r²>	39.692
(<r²>)^1/2	6.300

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)