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	hartrees
Energy at 0K	-50.686231
Energy at 298.15K	-50.686189
HF Energy	-50.686231
Nuclear repulsion energy	15.276652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2762	2762	0.00
2	Σ_g	1225	1225	0.00
3	Σ_u	2723	2723	24.71
4	Π_g	546	546	0.00
4	Π_g	546	546	0.00
5	Π_u	582	582	0.05
5	Π_u	582	582	0.05

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	1.942
H4	0.000	0.000	-1.942

	B1	B2	H3	H4
B1		1.5195	1.1823	2.7019
B2	1.5195		2.7019	1.1823
H3	1.1823	2.7019		3.8842
H4	2.7019	1.1823	3.8842

Number	Element	Mulliken
1	B	0.099
2	B	0.099
3	H	-0.099
4	H	-0.099

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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>	21.815
(<r²>)^1/2	4.671