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	hartrees
Energy at 0K	-224.166993
Energy at 298.15K	-224.168249
Nuclear repulsion energy	61.623655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2641	2612	90.95
2	A₁	1158	1145	92.14
3	A₁	525	520	17.57
4	B₁	894	884	48.11
5	B₂	1437	1422	306.89
6	B₂	1024	1013	0.16

Atom	y (Å)	z (Å)
B1	0.000	0.462
H2	0.000	1.674
F3	1.128	-0.221
F4	-1.128	-0.221

	B1	H2	F3	F4
B1		1.2114	1.3187	1.3187
H2	1.2114		2.2051	2.2051
F3	1.3187	2.2051		2.2555
F4	1.3187	2.2051	2.2555

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	121.217		H2	B1	F4	121.217
F3	B1	F4	117.565

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: LSDA/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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HF vs MP2 Bad vib. Calc. vs exp. 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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	0.120
2	H	-0.075
3	F	-0.023
4	F	-0.023

	x	y	z	Total
	0.000	0.000	0.680	0.680
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)