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	hartrees
Energy at 0K	-50.690382
Energy at 298.15K	-50.690433
HF Energy	-50.690382
Nuclear repulsion energy	15.325210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2849	2709	0.00
2	Σ_g	1278	1216	0.00
3	Σ_u	2809	2672	35.14
4	Π_g	585	557	0.00
4	Π_g	585	557	0.00
5	Π_u	622	591	2.75
5	Π_u	622	591	2.75

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.756
B2	0.000	0.000	-0.756
H3	0.000	0.000	1.938
H4	0.000	0.000	-1.938

	B1	B2	H3	H4
B1		1.5128	1.1813	2.6941
B2	1.5128		2.6941	1.1813
H3	1.1813	2.6941		3.8754
H4	2.6941	1.1813	3.8754

Number	Element	Mulliken
1	B	-0.072
2	B	-0.072
3	H	0.072
4	H	0.072

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

using model chemistry: HSEh1PBE/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>	21.334
(<r²>)^1/2	4.619