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	hartrees
Energy at 0K	-223.919806
Energy at 298.15K	-223.921086
HF Energy	-223.919806
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2736	2689	124.25
2	A₁	1151	1131	70.32
3	A₁	523	514	18.05
4	B₁	934	919	59.34
5	B₂	1492	1466	243.75
6	B₂	1151	1131	0.03

Atom	y (Å)	z (Å)
B1	0.000	0.482
H2	0.000	1.674
F3	1.157	-0.227
F4	-1.157	-0.227

	B1	H2	F3	F4
B1		1.1919	1.3570	1.3570
H2	1.1919		2.2255	2.2255
F3	1.3570	2.2255		2.3137
F4	1.3570	2.2255	2.3137

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.872		H2	B1	F4	120.872
F3	B1	F4	118.256

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B97D3/3-21G

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	0.546
2	H	-0.053
3	F	-0.246
4	F	-0.246

	x	y	z	Total
	0.000	0.000	0.838	0.838
CHELPG
AIM
ESP

<r²>	39.018
(<r²>)^1/2	6.246

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)