National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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II.B.6.

Experimental Barriers to Internal Rotation for B2F4 (Diboron tetrafluoride)

Data from:
1977Dan/Pat:6484
DD Danielson, JV Patton, K Hedberg, "The effect of Temperature on the Sturcture of Gaseous Molecules. 3. Molecular Structure and Barrier to Internal Rotation for Diboron Tetrafluoride" JACS 99:20, 1977, 6484
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 0.00 0
1 90 1.76 147

Atoms in torsion 1 are 3, 1, 2, 5
The rotor type is BF2

picture of Diboron tetrafluoride

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