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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D2H	¹A_G
1	2	no	D2D	¹A₁

	hartrees
Energy at 0K	-449.199368
Energy at 298.15K	-449.193289
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1403	1354	0.00
2	A_g	677	654	0.00
3	A_g	321	310	0.00
4	A_u	5	5	0.00
5	B_1u	1186	1145	285.41
6	B_1u	544	525	51.01
7	B_2g	708	683	0.00
8	B_2u	1426	1377	503.51
9	B_2u	126	122	1.69
10	B_3g	1418	1369	0.00
11	B_3g	383	369	0.00
12	B_3u	361	348	38.14

Atom	y (Å)	z (Å)
B1	0.000	0.862
B2	0.000	-0.862
F3	1.120	1.547
F4	-1.120	1.547
F5	1.120	-1.547
F6	-1.120	-1.547

	B1	B2	F3	F4	F5	F6
B1		1.7247	1.3128	1.3128	2.6572	2.6572
B2	1.7247		2.6572	2.6572	1.3128	1.3128
F3	1.3128	2.6572		2.2399	3.0947	3.8202
F4	1.3128	2.6572	2.2399		3.8202	3.0947
F5	2.6572	1.3128	3.0947	3.8202		2.2399
F6	2.6572	1.3128	3.8202	3.0947	2.2399

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

using model chemistry: G4

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	-0.130
2	B	-0.130
3	F	0.065
4	F	0.065
5	F	0.065
6	F	0.065

<r²>	158.133
(<r²>)^1/2	12.575

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

using model chemistry: G4

States and conformations

Conformer 1 (D2H)

Conformer 2 (D2D)

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