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	hartrees
Energy at 0K	-50.739368
Energy at 298.15K	-50.739370
HF Energy	-50.739368
Nuclear repulsion energy	15.190097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2771	2771	0.00
2	Σ_g	1231	1231	0.00
3	Σ_u	2728	2728	40.79
4	Π_g	556	556	0.00
4	Π_g	556	556	0.00
5	Π_u	596	596	0.04
5	Π_u	596	596	0.04

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.764
B2	0.000	0.000	-0.764
H3	0.000	0.000	1.953
H4	0.000	0.000	-1.953

	B1	B2	H3	H4
B1		1.5282	1.1891	2.7173
B2	1.5282		2.7173	1.1891
H3	1.1891	2.7173		3.9064
H4	2.7173	1.1891	3.9064

Number	Element	Mulliken
1	B	-0.663
2	B	-0.663
3	H	0.663
4	H	0.663

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

using model chemistry: B97D3/aug-cc-pVDZ

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>	21.947
(<r²>)^1/2	4.685