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	hartrees
Energy at 0K	-50.759661
Energy at 298.15K	-50.759717
HF Energy	-50.759661
Nuclear repulsion energy	15.403946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2815	2815	0.00
2	Σ_g	1273	1273	0.00
3	Σ_u	2774	2774	31.35
4	Π_g	586	586	0.00
4	Π_g	586	586	0.00
5	Π_u	612	612	0.11
5	Π_u	612	612	0.11

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	1.928
H4	0.000	0.000	-1.928

	B1	B2	H3	H4
B1		1.5054	1.1749	2.6802
B2	1.5054		2.6802	1.1749
H3	1.1749	2.6802		3.8551
H4	2.6802	1.1749	3.8551

Number	Element	Mulliken
1	B	-0.237
2	B	-0.237
3	H	0.237
4	H	0.237

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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>	21.514
(<r²>)^1/2	4.638