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	hartrees
Energy at 0K	-50.434143
Energy at 298.15K	-50.434312
HF Energy	-50.434143
Nuclear repulsion energy	15.475832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2923	2923	0.00
2	Σ_g	1334	1334	0.00
3	Σ_u	2884	2884	38.50
4	Π_g	623	623	0.00
4	Π_g	623	623	0.00
5	Π_u	674	674	0.31
5	Π_u	674	674	0.31

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.749
B2	0.000	0.000	-0.749
H3	0.000	0.000	1.919
H4	0.000	0.000	-1.919

	B1	B2	H3	H4
B1		1.4985	1.1693	2.6677
B2	1.4985		2.6677	1.1693
H3	1.1693	2.6677		3.8370
H4	2.6677	1.1693	3.8370

Number	Element	Mulliken
1	B	-0.012
2	B	-0.012
3	H	0.012
4	H	0.012

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

using model chemistry: ROHF/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>	21.604
(<r²>)^1/2	4.648