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	hartrees
Energy at 0K	-224.266614
Energy at 298.15K	-224.267944
Nuclear repulsion energy	61.822117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2851	2589	137.45
2	A₁	1196	1086	159.93
3	A₁	564	512	27.98
4	B₁	1010	917	119.83
5	B₂	1475	1340	448.14
6	B₂	1156	1050	0.36

Atom	y (Å)	z (Å)
B1	0.000	0.460
H2	0.000	1.648
F3	1.126	-0.219
F4	-1.126	-0.219

	B1	H2	F3	F4
B1		1.1879	1.3156	1.3156
H2	1.1879		2.1812	2.1812
F3	1.3156	2.1812		2.2527
F4	1.3156	2.1812	2.2527

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.118		H2	B1	F4	121.118
F3	B1	F4	117.764

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	B	0.541	0.929
2	H	-0.128	-0.207
3	F	-0.207	-0.361
4	F	-0.207	-0.361

	x	y	z	Total
	0.000	0.000	1.142	1.142
CHELPG
AIM
ESP

<r²>	37.533
(<r²>)^1/2	6.126

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)