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	hartrees
Energy at 0K	-449.190624
Energy at 298.15K	-449.190999
Nuclear repulsion energy	200.239052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1373	1321	0.00
2	A_g	646	621	0.00
3	A_g	310	298	0.00
4	A_u	18	18	0.00
5	B_1u	1106	1064	281.93
6	B_1u	505	486	55.91
7	B_2g	668	642	0.00
8	B_2u	1350	1298	459.93
9	B_2u	136	130	3.47
10	B_3g	1348	1297	0.00
11	B_3g	371	357	0.00
12	B_3u	344	331	61.14

Atom	y (Å)	z (Å)
B1	0.000	0.849
B2	0.000	-0.849
F3	1.154	1.562
F4	-1.154	1.562
F5	1.154	-1.562
F6	-1.154	-1.562

	B1	B2	F3	F4	F5	F6
B1		1.6982	1.3570	1.3570	2.6735	2.6735
B2	1.6982		2.6735	2.6735	1.3570	1.3570
F3	1.3570	2.6735		2.3090	3.1246	3.8852
F4	1.3570	2.6735	2.3090		3.8852	3.1246
F5	2.6735	1.3570	3.1246	3.8852		2.3090
F6	2.6735	1.3570	3.8852	3.1246	2.3090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	F5	121.707	B1	B2	F6	121.707
B2	B1	F3	121.707	B2	B1	F4	121.707
F3	B1	F4	116.585	F5	B2	F6	116.585

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

using model chemistry: B3LYP/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	0.567
2	B	0.567
3	F	-0.283
4	F	-0.283
5	F	-0.283
6	F	-0.283

<r²>	163.602
(<r²>)^1/2	12.791

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

using model chemistry: B3LYP/6-31G

States and conformations

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