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	hartrees
Energy at 0K	-50.795732
Energy at 298.15K	-50.795744
HF Energy	-50.795732
Nuclear repulsion energy	15.330807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2819	2716	0.00
2	Σ_g	1252	1207	0.00
3	Σ_u	2780	2679	35.57
4	Π_g	554	534	0.00
4	Π_g	554	534	0.00
5	Π_u	610	588	0.35
5	Π_u	610	588	0.35

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	1.934
H4	0.000	0.000	-1.934

	B1	B2	H3	H4
B1		1.5151	1.1769	2.6920
B2	1.5151		2.6920	1.1769
H3	1.1769	2.6920		3.8689
H4	2.6920	1.1769	3.8689

Number	Element	Mulliken
1	B	-0.058
2	B	-0.058
3	H	0.058
4	H	0.058

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

using model chemistry: TPSSh/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>	21.631
(<r²>)^1/2	4.651