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	hartrees
Energy at 0K	-50.784257
Energy at 298.15K	-50.784236
HF Energy	-50.784257
Nuclear repulsion energy	15.283927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2839	2733	0.00
2	Σ_g	1251	1204	0.00
3	Σ_u	2801	2696	45.73
4	Π_g	536	516	0.00
4	Π_g	536	516	0.00
5	Π_u	608	585	0.69
5	Π_u	608	585	0.69

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.761
B2	0.000	0.000	-0.761
H3	0.000	0.000	1.938
H4	0.000	0.000	-1.938

	B1	B2	H3	H4
B1		1.5218	1.1776	2.6994
B2	1.5218		2.6994	1.1776
H3	1.1776	2.6994		3.8770
H4	2.6994	1.1776	3.8770

Number	Element	Mulliken
1	B	-0.026
2	B	-0.026
3	H	0.026
4	H	0.026

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

using model chemistry: TPSSh/6-31+G**

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>	21.763
(<r²>)^1/2	4.665