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	hartrees
Energy at 0K	-224.357387
Energy at 298.15K	-224.358728
HF Energy	-224.357387
Nuclear repulsion energy	62.515350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2793	2527	123.96
2	A₁	1241	1123	153.81
3	A₁	576	521	27.16
4	B₁	1001	905	104.85
5	B₂	1509	1365	449.27
6	B₂	1182	1069	0.71

Atom	y (Å)	z (Å)
B1	0.000	0.453
H2	0.000	1.634
F3	1.114	-0.217
F4	-1.114	-0.217

	B1	H2	F3	F4
B1		1.1816	1.3000	1.3000
H2	1.1816		2.1605	2.1605
F3	1.3000	2.1605		2.2289
F4	1.3000	2.1605	2.2289

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.987		H2	B1	F4	120.987
F3	B1	F4	118.026

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: HF/daug-cc-pVTZ

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	1.343
2	H	-0.020
3	F	-0.661
4	F	-0.661

	x	y	z	Total
	0.000	0.000	1.081	1.081
CHELPG
AIM
ESP

<r²>	37.003
(<r²>)^1/2	6.083

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)