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	hartrees
Energy at 0K	-50.788600
Energy at 298.15K	-50.788653
HF Energy	-50.788600
Nuclear repulsion energy	15.398520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2832	2734	0.00
2	Σ_g	1264	1221	0.00
3	Σ_u	2794	2697	28.69
4	Π_g	586	566	0.00
4	Π_g	586	566	0.00
5	Π_u	609	588	0.51
5	Π_u	609	588	0.51

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.754
B2	0.000	0.000	-0.754
H3	0.000	0.000	1.927
H4	0.000	0.000	-1.927

	B1	B2	H3	H4
B1		1.5077	1.1727	2.6804
B2	1.5077		2.6804	1.1727
H3	1.1727	2.6804		3.8531
H4	2.6804	1.1727	3.8531

Number	Element	Mulliken
1	B	0.008
2	B	0.008
3	H	-0.008
4	H	-0.008

All results from a given calculation for HBBH (Diborane(2))

using model chemistry: B3LYP/TZVP

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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<r²>	21.629
(<r²>)^1/2	4.651