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	hartrees
Energy at 0K	-50.603252
Energy at 298.15K	-50.603347
HF Energy	-50.426795
Nuclear repulsion energy	15.392867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2872	2715	0.00
2	Σ_g	1286	1216	0.00
3	Σ_u	2832	2677	16.52
4	Π_g	591	559	0.00
4	Π_g	591	559	0.00
5	Π_u	644	609	1.24
5	Π_u	644	609	1.24

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	1.928
H4	0.000	0.000	-1.928

	B1	B2	H3	H4
B1		1.5078	1.1738	2.6816
B2	1.5078		2.6816	1.1738
H3	1.1738	2.6816		3.8554
H4	2.6816	1.1738	3.8554

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

using model chemistry: CCSD/6-31G(2df,p)

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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