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	hartrees
Energy at 0K	-50.752211
Energy at 298.15K	-50.752212
HF Energy	-50.752211
Nuclear repulsion energy	15.311128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2768	2729	0.00
2	Σ_g	1232	1215	0.00
3	Σ_u	2727	2689	36.66
4	Π_g	563	555	0.00
4	Π_g	563	555	0.00
5	Π_u	589	581	0.43
5	Π_u	589	581	0.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.758
B2	0.000	0.000	-0.758
H3	0.000	0.000	1.938
H4	0.000	0.000	-1.938

	B1	B2	H3	H4
B1		1.5160	1.1799	2.6959
B2	1.5160		2.6959	1.1799
H3	1.1799	2.6959		3.8757
H4	2.6959	1.1799	3.8757

Number	Element	Mulliken
1	B	-0.017
2	B	-0.017
3	H	0.017
4	H	0.017

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

using model chemistry: B97D3/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>	21.628
(<r²>)^1/2	4.651