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	hartrees
Energy at 0K	-224.366497
Energy at 298.15K	-224.367840
HF Energy	-224.366497
Nuclear repulsion energy	62.505097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2793	2532	126.16
2	A₁	1244	1127	156.94
3	A₁	576	522	27.79
4	B₁	1001	908	108.54
5	B₂	1515	1373	453.10
6	B₂	1180	1069	0.47

Atom	y (Å)	z (Å)
B1	0.000	0.454
H2	0.000	1.636
F3	1.114	-0.217
F4	-1.114	-0.217

	B1	H2	F3	F4
B1		1.1814	1.3009	1.3009
H2	1.1814		2.1621	2.1621
F3	1.3009	2.1621		2.2284
F4	1.3009	2.1621	2.2284

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.079		H2	B1	F4	121.079
F3	B1	F4	117.842

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: HF/Def2TZVPP

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	0.692
2	H	-0.059
3	F	-0.316
4	F	-0.316

	x	y	z	Total
	0.000	0.000	1.086	1.086
CHELPG
AIM
ESP

<r²>	36.988
(<r²>)^1/2	6.082

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)