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	hartrees
Energy at 0K	-50.669759
Energy at 298.15K	-50.669729
HF Energy	-50.669759
Nuclear repulsion energy	15.221398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2779	2740	0.00
2	Σ_g	1235	1218	0.00
3	Σ_u	2740	2702	28.02
4	Π_g	545	538	0.00
4	Π_g	545	538	0.00
5	Π_u	594	586	2.59
5	Π_u	594	586	2.59

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.763
B2	0.000	0.000	-0.763
H3	0.000	0.000	1.949
H4	0.000	0.000	-1.949

	B1	B2	H3	H4
B1		1.5251	1.1866	2.7117
B2	1.5251		2.7117	1.1866
H3	1.1866	2.7117		3.8983
H4	2.7117	1.1866	3.8983

Number	Element	Mulliken
1	B	-0.033
2	B	-0.033
3	H	0.033
4	H	0.033

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

using model chemistry: PBEPBEultrafine/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>	21.496
(<r²>)^1/2	4.636