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	hartrees
Energy at 0K	-50.037981
Energy at 298.15K	-50.037930
HF Energy	-50.037981
Nuclear repulsion energy	15.782839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3193	2820	0.00
2	Σ_g	1468	1296	0.00
3	Σ_u	3134	2767	23.15
4	Π_g	592	522	0.00
4	Π_g	592	522	0.00
5	Π_u	644	569	23.72
5	Π_u	644	569	23.72

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.730
B2	0.000	0.000	-0.730
H3	0.000	0.000	1.891
H4	0.000	0.000	-1.891

	B1	B2	H3	H4
B1		1.4591	1.1613	2.6204
B2	1.4591		2.6204	1.1613
H3	1.1613	2.6204		3.7817
H4	2.6204	1.1613	3.7817

Number	Element	Mulliken
1	B	0.030
2	B	0.030
3	H	-0.030
4	H	-0.030

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

using model chemistry: HSEh1PBE/STO-3G

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>	19.611
(<r²>)^1/2	4.428