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	hartrees
Energy at 0K	-50.759975
Energy at 298.15K	-50.760026
HF Energy	-50.759975
Nuclear repulsion energy	15.378043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2815	2689	0.00
2	Σ_g	1279	1221	0.00
3	Σ_u	2774	2650	32.04
4	Π_g	584	557	0.00
4	Π_g	584	557	0.00
5	Π_u	608	581	0.59
5	Π_u	608	581	0.59

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.754
B2	0.000	0.000	-0.754
H3	0.000	0.000	1.931
H4	0.000	0.000	-1.931

	B1	B2	H3	H4
B1		1.5075	1.1774	2.6849
B2	1.5075		2.6849	1.1774
H3	1.1774	2.6849		3.8624
H4	2.6849	1.1774	3.8624

Number	Element	Mulliken
1	B	-0.027
2	B	-0.027
3	H	0.027
4	H	0.027

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

using model chemistry: wB97X-D/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>	21.568
(<r²>)^1/2	4.644