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	hartrees
Energy at 0K	-50.700442
Energy at 298.15K	-50.700480
HF Energy	-50.700442
Nuclear repulsion energy	15.356518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2823	2709	0.00
2	Σ_g	1268	1217	0.00
3	Σ_u	2783	2671	25.62
4	Π_g	576	553	0.00
4	Π_g	576	553	0.00
5	Π_u	606	582	0.28
5	Π_u	606	582	0.28

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.755
B2	0.000	0.000	-0.755
H3	0.000	0.000	1.933
H4	0.000	0.000	-1.933

	B1	B2	H3	H4
B1		1.5104	1.1779	2.6884
B2	1.5104		2.6884	1.1779
H3	1.1779	2.6884		3.8663
H4	2.6884	1.1779	3.8663

Number	Element	Mulliken
1	B	-0.042
2	B	-0.042
3	H	0.042
4	H	0.042

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

using model chemistry: PBE1PBE/TZVP

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>	21.622
(<r²>)^1/2	4.650