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	hartrees
Energy at 0K	-50.781068
Energy at 298.15K	-50.781081
HF Energy	-50.781068
Nuclear repulsion energy	15.301510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2840	2723	0.00
2	Σ_g	1260	1208	0.00
3	Σ_u	2801	2685	43.73
4	Π_g	552	529	0.00
4	Π_g	552	529	0.00
5	Π_u	621	595	3.38
5	Π_u	621	595	3.38

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.759
B2	0.000	0.000	-0.759
H3	0.000	0.000	1.937
H4	0.000	0.000	-1.937

	B1	B2	H3	H4
B1		1.5188	1.1779	2.6968
B2	1.5188		2.6968	1.1779
H3	1.1779	2.6968		3.8747
H4	2.6968	1.1779	3.8747

Number	Element	Mulliken
1	B	-0.026
2	B	-0.026
3	H	0.026
4	H	0.026

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

using model chemistry: TPSSh/6-31G**

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>	21.368
(<r²>)^1/2	4.623