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	hartrees
Energy at 0K	-50.681536
Energy at 298.15K	-50.681515
HF Energy	-50.681536
Nuclear repulsion energy	15.273801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2764	2739	0.00
2	Σ_g	1228	1217	0.00
3	Σ_u	2723	2698	24.40
4	Π_g	553	548	0.00
4	Π_g	553	548	0.00
5	Π_u	585	579	0.52
5	Π_u	585	579	0.52

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	1.943
H4	0.000	0.000	-1.943

	B1	B2	H3	H4
B1		1.5194	1.1832	2.7026
B2	1.5194		2.7026	1.1832
H3	1.1832	2.7026		3.8858
H4	2.7026	1.1832	3.8858

Number	Element	Mulliken
1	B	-0.007
2	B	-0.007
3	H	0.007
4	H	0.007

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

using model chemistry: PBEPBE/6-311G**

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>	21.756
(<r²>)^1/2	4.664