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	hartrees
Energy at 0K	-50.684987
Energy at 298.15K	-50.684961
HF Energy	-50.684987
Nuclear repulsion energy	15.260464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2766	2735	0.00
2	Σ_g	1228	1214	0.00
3	Σ_u	2727	2696	25.59
4	Π_g	552	546	0.00
4	Π_g	552	546	0.00
5	Π_u	582	575	0.25
5	Π_u	582	575	0.25

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.761
B2	0.000	0.000	-0.761
H3	0.000	0.000	1.944
H4	0.000	0.000	-1.944

	B1	B2	H3	H4
B1		1.5210	1.1838	2.7048
B2	1.5210		2.7048	1.1838
H3	1.1838	2.7048		3.8886
H4	2.7048	1.1838	3.8886

Number	Element	Mulliken
1	B	-0.038
2	B	-0.038
3	H	0.038
4	H	0.038

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

using model chemistry: PBEPBEultrafine/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>	21.844
(<r²>)^1/2	4.674