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	hartrees
Energy at 0K	-449.190106
Energy at 298.15K	-449.190525
Nuclear repulsion energy	203.863667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1413	1350	0.00
2	A_g	674	643	0.00
3	A_g	318	303	0.00
4	A_u	8	8	0.00
5	B_1u	1178	1124	307.35
6	B_1u	537	513	49.79
7	B_2g	686	655	0.00
8	B_2u	1426	1362	551.04
9	B_2u	123	118	1.67
10	B_3g	1425	1361	0.00
11	B_3g	377	360	0.00
12	B_3u	350	334	38.51

Atom	y (Å)	z (Å)
B1	0.000	0.860
B2	0.000	-0.860
F3	1.126	1.548
F4	-1.126	1.548
F5	1.126	-1.548
F6	-1.126	-1.548

	B1	B2	F3	F4	F5	F6
B1		1.7195	1.3196	1.3196	2.6577	2.6577
B2	1.7195		2.6577	2.6577	1.3196	1.3196
F3	1.3196	2.6577		2.2525	3.0951	3.8280
F4	1.3196	2.6577	2.2525		3.8280	3.0951
F5	2.6577	1.3196	3.0951	3.8280		2.2525
F6	2.6577	1.3196	3.8280	3.0951	2.2525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	F5	121.412	B1	B2	F6	121.412
B2	B1	F3	121.412	B2	B1	F4	121.412
F3	B1	F4	117.177	F5	B2	F6	117.177

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

using model chemistry: B1B95/6-31G**

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	0.397
2	B	0.397
3	F	-0.199
4	F	-0.199
5	F	-0.199
6	F	-0.199

<r²>	158.508
(<r²>)^1/2	12.590

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

using model chemistry: B1B95/6-31G**

States and conformations

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