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	hartrees
Energy at 0K	-50.744401
Energy at 298.15K	-50.744408
HF Energy	-50.744401
Nuclear repulsion energy	15.406882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2868	2732	0.00
2	Σ_g	1285	1224	0.00
3	Σ_u	2827	2692	14.27
4	Π_g	562	535	0.00
4	Π_g	562	535	0.00
5	Π_u	598	570	3.82
5	Π_u	598	570	3.82

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.753
B2	0.000	0.000	-0.753
H3	0.000	0.000	1.926
H4	0.000	0.000	-1.926

	B1	B2	H3	H4
B1		1.5065	1.1726	2.6791
B2	1.5065		2.6791	1.1726
H3	1.1726	2.6791		3.8517
H4	2.6791	1.1726	3.8517

Number	Element	Mulliken
1	B	-0.073
2	B	-0.073
3	H	0.073
4	H	0.073

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

using model chemistry: M06-2X/6-31G(2df,p)

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>	21.199
(<r²>)^1/2	4.604