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	hartrees
Energy at 0K	-51.834224
Energy at 298.15K	-51.835445
Nuclear repulsion energy	32.242275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2725	2655	90.62
2	A₁	1057	1030	127.29
3	A₁	494	481	27.13
4	B₁	899	876	67.81
5	B₂	1303	1270	392.46
6	B₂	1033	1007	0.68

Atom	y (Å)	z (Å)
B1	0.000	0.483
H2	0.000	1.671
F3	1.159	-0.223
F4	-1.159	-0.223

	B1	H2	F3	F4
B1		1.1876	1.3569	1.3569
H2	1.1876		2.2201	2.2201
F3	1.3569	2.2201		2.3174
F4	1.3569	2.2201	2.3174

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.359		H2	B1	F4	121.359
F3	B1	F4	117.283

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B3LYP/CEP-121G

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	0.368
2	H	0.019
3	F	-0.194
4	F	-0.194

	x	y	z	Total
	0.000	0.000	1.449	1.449
CHELPG
AIM
ESP

<r²>	33.432
(<r²>)^1/2	5.782

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)