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	hartrees
Energy at 0K	-50.675468
Energy at 298.15K	-50.675535
HF Energy	-50.675468
Nuclear repulsion energy	15.292059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2848	2722	0.00
2	Σ_g	1275	1218	0.00
3	Σ_u	2803	2679	33.91
4	Π_g	595	569	0.00
4	Π_g	595	569	0.00
5	Π_u	619	592	1.92
5	Π_u	619	592	1.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.760
B2	0.000	0.000	-0.760
H3	0.000	0.000	1.939
H4	0.000	0.000	-1.939

	B1	B2	H3	H4
B1		1.5190	1.1797	2.6987
B2	1.5190		2.6987	1.1797
H3	1.1797	2.6987		3.8785
H4	2.6987	1.1797	3.8785

Number	Element	Mulliken
1	B	-0.089
2	B	-0.089
3	H	0.089
4	H	0.089

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

using model chemistry: PBE1PBE/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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<r²>	21.479
(<r²>)^1/2	4.635