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	hartrees
Energy at 0K	-50.755138
Energy at 298.15K	-50.755169
HF Energy	-50.755138
Nuclear repulsion energy	15.367864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2817	2713	0.00
2	Σ_g	1261	1214	0.00
3	Σ_u	2776	2673	26.85
4	Π_g	571	550	0.00
4	Π_g	571	550	0.00
5	Π_u	606	584	0.56
5	Π_u	606	584	0.56

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.755
B2	0.000	0.000	-0.755
H3	0.000	0.000	1.931
H4	0.000	0.000	-1.931

	B1	B2	H3	H4
B1		1.5098	1.1763	2.6861
B2	1.5098		2.6861	1.1763
H3	1.1763	2.6861		3.8625
H4	2.6861	1.1763	3.8625

Number	Element	Mulliken
1	B	-0.013
2	B	-0.013
3	H	0.013
4	H	0.013

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

using model chemistry: B3PW91/6-311G**

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>	21.548
(<r²>)^1/2	4.642