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	hartrees
Energy at 0K	-50.627411
Energy at 298.15K	-50.627469
HF Energy	-50.437343
Nuclear repulsion energy	15.341050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2810	2810
2	Σ_g	1250	1250
3	Σ_u	2770	2770
4	Π_g	582	582
4	Π_g	582	582
5	Π_u	618	618
5	Π_u	618	618

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	1.933
H4	0.000	0.000	-1.933

	B1	B2	H3	H4
B1		1.5138	1.1760	2.6898
B2	1.5138		2.6898	1.1760
H3	1.1760	2.6898		3.8658
H4	2.6898	1.1760	3.8658

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

using model chemistry: QCISD(TQ)/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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