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	hartrees
Energy at 0K	-50.400228
Energy at 298.15K	-50.400419
HF Energy	-50.400228
Nuclear repulsion energy	15.303882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2872	2759	0.00
2	Σ_g	1277	1226	0.00
3	Σ_u	2820	2709	32.50
4	Π_g	678	652	0.00
4	Π_g	678	652	0.00
5	Π_u	646	620	3.14
5	Π_u	646	620	3.14

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.759
B2	0.000	0.000	-0.759
H3	0.000	0.000	1.937
H4	0.000	0.000	-1.937

	B1	B2	H3	H4
B1		1.5184	1.1780	2.6964
B2	1.5184		2.6964	1.1780
H3	1.1780	2.6964		3.8744
H4	2.6964	1.1780	3.8744

Number	Element	Mulliken
1	B	-0.011
2	B	-0.011
3	H	0.011
4	H	0.011

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

using model chemistry: PBE1PBE/3-21G

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>	21.786
(<r²>)^1/2	4.668