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	hartrees
Energy at 0K	-224.105329
Energy at 298.15K	-224.106562
Nuclear repulsion energy	60.538090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2718	2663	87.02
2	A₁	1108	1085	87.04
3	A₁	501	491	20.88
4	B₁	888	870	52.35
5	B₂	1408	1380	277.94
6	B₂	1078	1057	0.41

Atom	y (Å)	z (Å)
B1	0.000	0.474
H2	0.000	1.667
F3	1.150	-0.224
F4	-1.150	-0.224

	B1	H2	F3	F4
B1		1.1925	1.3459	1.3459
H2	1.1925		2.2136	2.2136
F3	1.3459	2.2136		2.3007
F4	1.3459	2.2136	2.3007

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.273		H2	B1	F4	121.273
F3	B1	F4	117.453

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: LSDA/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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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	0.491
2	H	-0.024
3	F	-0.233
4	F	-0.233

	x	y	z	Total
	0.000	0.000	1.008	1.008
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)