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	hartrees
Energy at 0K	-449.307908
Energy at 298.15K	-449.308257
HF Energy	-449.307908
Nuclear repulsion energy	201.517535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1381	1329	0.00
2	A₁	656	631	0.00
3	A₁	312	300	0.00
4	B₁	7	7	0.00
5	B₂	1131	1088	342.45
6	B₂	519	499	53.33
7	E	1332	1282	305.66
7	E	1332	1282	305.66
8	E	620	597	36.27
8	E	620	597	36.27
9	E	163	157	7.02
9	E	163	157	7.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.862
B2	0.000	0.000	-0.862
F3	0.000	1.133	1.556
F4	0.000	-1.133	1.556
F5	1.133	0.000	-1.556
F6	-1.133	0.000	-1.556

	B1	B2	F3	F4	F5	F6
B1		1.7240	1.3283	1.3283	2.6699	2.6699
B2	1.7240		2.6699	2.6699	1.3283	1.3283
F3	1.3283	2.6699		2.2655	3.4995	3.4995
F4	1.3283	2.6699	2.2655		3.4995	3.4995
F5	2.6699	1.3283	3.4995	3.4995		2.2655
F6	2.6699	1.3283	3.4995	3.4995	2.2655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	F5	121.482	B1	B2	F6	121.482
B2	B1	F3	121.482	B2	B1	F4	121.482
F3	B1	F4	117.035	F5	B2	F6	117.035

All results from a given calculation for B₂F₄ (Diboron tetrafluoride)

using model chemistry: TPSSh/6-31+G**

States and conformations

Conformer 1 (D2H)

Conformer 2 (D2D)

	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	0.718
2	B	0.718
3	F	-0.359
4	F	-0.359
5	F	-0.359
6	F	-0.359

<r²>	161.487
(<r²>)^1/2	12.708

All results from a given calculation for B2F4 (Diboron tetrafluoride)

using model chemistry: TPSSh/6-31+G**

States and conformations

Conformer 1 (D2H)

Conformer 2 (D2D)

All results from a given calculation for B₂F₄ (Diboron tetrafluoride)