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	hartrees
Energy at 0K	-51.049125
Energy at 298.15K	-51.050406
Nuclear repulsion energy	32.579164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2879	2596	110.27
2	A₁	1120	1010	173.56
3	A₁	532	480	41.27
4	B₁	976	880	115.10
5	B₂	1386	1249	445.49
6	B₂	1123	1013	0.28

Atom	y (Å)	z (Å)
B1	0.000	0.480
H2	0.000	1.658
F3	1.145	-0.221
F4	-1.145	-0.221

	B1	H2	F3	F4
B1		1.1778	1.3432	1.3432
H2	1.1778		2.2009	2.2009
F3	1.3432	2.2009		2.2909
F4	1.3432	2.2009	2.2909

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.483		H2	B1	F4	121.483
F3	B1	F4	117.035

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: HF/CEP-31G

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	0.445
2	H	0.104
3	F	-0.274
4	F	-0.274

	x	y	z	Total
	0.000	0.000	1.902	1.902
CHELPG
AIM
ESP

<r²>	33.001
(<r²>)^1/2	5.745

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)