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	hartrees
Energy at 0K	-224.160048
Energy at 298.15K	-224.161316
Nuclear repulsion energy	61.928079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2660	2610	97.68
2	A₁	1188	1165	86.05
3	A₁	534	524	16.28
4	B₁	902	885	52.91
5	B₂	1487	1459	311.19
6	B₂	1081	1060	0.00

Atom	y (Å)	z (Å)
B1	0.000	0.456
H2	0.000	1.657
F3	1.125	-0.219
F4	-1.125	-0.219

	B1	H2	F3	F4
B1		1.2017	1.3114	1.3114
H2	1.2017		2.1874	2.1874
F3	1.3114	2.1874		2.2495
F4	1.3114	2.1874	2.2495

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.946		H2	B1	F4	120.946
F3	B1	F4	118.107

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: LSDA/6-31G*

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	0.309
2	H	-0.044
3	F	-0.132
4	F	-0.132

	x	y	z	Total
	0.000	0.000	0.551	0.551
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)