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	hartrees
Energy at 0K	-50.764536
Energy at 298.15K	-50.764588
HF Energy	-50.764536
Nuclear repulsion energy	15.405752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2816	2816	0.00
2	Σ_g	1274	1274	0.00
3	Σ_u	2776	2776	31.07
4	Π_g	584	584	0.00
4	Π_g	584	584	0.00
5	Π_u	609	609	0.25
5	Π_u	609	609	0.25

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.753
B2	0.000	0.000	-0.753
H3	0.000	0.000	1.927
H4	0.000	0.000	-1.927

	B1	B2	H3	H4
B1		1.5051	1.1749	2.6800
B2	1.5051		2.6800	1.1749
H3	1.1749	2.6800		3.8549
H4	2.6800	1.1749	3.8549

Number	Element	Mulliken
1	B	0.147
2	B	0.147
3	H	-0.147
4	H	-0.147

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

using model chemistry: wB97X-D/cc-pVQZ

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>	21.477
(<r²>)^1/2	4.634