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	hartrees
Energy at 0K	-50.581761
Energy at 298.15K	-50.581415
HF Energy	-50.422291
Nuclear repulsion energy	15.347453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2871	2723
2	Σ_g	1278	1213
3	Σ_u	2830	2684
4	Π_g	357	339
4	Π_g	357	339
5	Π_u	599	568
5	Π_u	599	568

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.757
B2	0.000	0.000	-0.757
H3	0.000	0.000	1.931
H4	0.000	0.000	-1.931

	B1	B2	H3	H4
B1		1.5143	1.1740	2.6882
B2	1.5143		2.6882	1.1740
H3	1.1740	2.6882		3.8622
H4	2.6882	1.1740	3.8622

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

using model chemistry: CCSD(T)/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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