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	hartrees
Energy at 0K	-50.609484
Energy at 298.15K	-50.609601
HF Energy	-50.437537
Nuclear repulsion energy	15.421412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2857	2640	0.00
2	Σ_g	1286	1189	0.00
3	Σ_u	2816	2602	25.28
4	Π_g	608	562	0.00
4	Π_g	608	562	0.00
5	Π_u	641	592	0.01
5	Π_u	641	592	0.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.752
B2	0.000	0.000	-0.752
H3	0.000	0.000	1.924
H4	0.000	0.000	-1.924

	B1	B2	H3	H4
B1		1.5049	1.1717	2.6767
B2	1.5049		2.6767	1.1717
H3	1.1717	2.6767		3.8484
H4	2.6767	1.1717	3.8484

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

using model chemistry: CID/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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