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	hartrees
Energy at 0K	-449.232114
Energy at 298.15K	-449.232613
Nuclear repulsion energy	202.763375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1395	1337	0.00
2	A_g	656	628	0.00
3	A_g	313	300	0.00
4	A_u	24	23	0.00
5	B_1u	1134	1087	325.60
6	B_1u	513	491	51.28
7	B_2g	712	682	0.00
8	B_2u	1363	1306	646.98
9	B_2u	138	132	2.54
10	B_3g	1348	1292	0.00
11	B_3g	385	369	0.00
12	B_3u	372	357	50.81

Atom	y (Å)	z (Å)
B1	0.000	0.860
B2	0.000	-0.860
F3	1.132	1.556
F4	-1.132	1.556
F5	1.132	-1.556
F6	-1.132	-1.556

	B1	B2	F3	F4	F5	F6
B1		1.7190	1.3291	1.3291	2.6673	2.6673
B2	1.7190		2.6673	2.6673	1.3291	1.3291
F3	1.3291	2.6673		2.2645	3.1111	3.8480
F4	1.3291	2.6673	2.2645		3.8480	3.1111
F5	2.6673	1.3291	3.1111	3.8480		2.2645
F6	2.6673	1.3291	3.8480	3.1111	2.2645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	F5	121.580	B1	B2	F6	121.580
B2	B1	F3	121.580	B2	B1	F4	121.580
F3	B1	F4	116.840	F5	B2	F6	116.840

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

using model chemistry: mPW1PW91/aug-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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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	0.749
2	B	0.749
3	F	-0.375
4	F	-0.375
5	F	-0.375
6	F	-0.375

<r²>	160.852
(<r²>)^1/2	12.683

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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