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	hartrees
Energy at 0K	-225.227324
Energy at 298.15K	-225.228587
HF Energy	-225.227324
Nuclear repulsion energy	61.317941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2630	2594	107.93
2	A₁	1133	1117	106.85
3	A₁	524	517	18.89
4	B₁	904	892	62.36
5	B₂	1379	1360	360.23
6	B₂	1071	1056	0.37

Atom	y (Å)	z (Å)
B1	0.000	0.460
H2	0.000	1.655
F3	1.138	-0.220
F4	-1.138	-0.220

	B1	H2	F3	F4
B1		1.1952	1.3255	1.3255
H2	1.1952		2.1930	2.1930
F3	1.3255	2.1930		2.2763
F4	1.3255	2.1930	2.2763

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.705		H2	B1	F4	120.705
F3	B1	F4	118.591

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: B97D3/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	0.386
2	H	-0.038
3	F	-0.174
4	F	-0.174

	x	y	z	Total
	0.000	0.000	0.783	0.783
CHELPG
AIM
ESP

<r²>	38.090
(<r²>)^1/2	6.172

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)