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	hartrees
Energy at 0K	-225.332938
Energy at 298.15K	-225.334219
HF Energy	-225.332938
Nuclear repulsion energy	61.656397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2702	2617	100.38
2	A₁	1164	1127	109.52
3	A₁	533	516	19.82
4	B₁	923	893	66.43
5	B₂	1414	1370	368.39
6	B₂	1098	1063	0.38

Atom	y (Å)	z (Å)
B1	0.000	0.458
H2	0.000	1.645
F3	1.130	-0.219
F4	-1.130	-0.219

	B1	H2	F3	F4
B1		1.1876	1.3166	1.3166
H2	1.1876		2.1794	2.1794
F3	1.3166	2.1794		2.2595
F4	1.3166	2.1794	2.2595

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.899		H2	B1	F4	120.899
F3	B1	F4	118.202

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: TPSSh/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	0.416
2	H	-0.061
3	F	-0.178
4	F	-0.178

	x	y	z	Total
	0.000	0.000	0.840	0.840
CHELPG
AIM
ESP

<r²>	37.721
(<r²>)^1/2	6.142

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)