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	hartrees
Energy at 0K	-225.014441
Energy at 298.15K	-225.015728
HF Energy	-225.014441
Nuclear repulsion energy	61.741639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2740	2603	115.78
2	A₁	1186	1128	104.78
3	A₁	541	514	18.96
4	B₁	939	892	75.79
5	B₂	1481	1408	361.61
6	B₂	1121	1065	0.09

Atom	y (Å)	z (Å)
B1	0.000	0.456
H2	0.000	1.648
F3	1.130	-0.218
F4	-1.130	-0.218

	B1	H2	F3	F4
B1		1.1921	1.3160	1.3160
H2	1.1921		2.1821	2.1821
F3	1.3160	2.1821		2.2598
F4	1.3160	2.1821	2.2598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.846		H2	B1	F4	120.846
F3	B1	F4	118.309

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: PBE1PBE/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	0.466
2	H	-0.059
3	F	-0.203
4	F	-0.203

	x	y	z	Total
	0.000	0.000	0.698	0.698
CHELPG
AIM
ESP

<r²>	37.397
(<r²>)^1/2	6.115

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)