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	hartrees
Energy at 0K	-50.577426
Energy at 298.15K	-50.577159
HF Energy	-50.420297
Nuclear repulsion energy	15.326127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2838	2838
2	Σ_g	1278	1278
3	Σ_u	2800	2800
4	Π_g	399	399
4	Π_g	399	399
5	Π_u	600	600
5	Π_u	600	600

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.756
B2	0.000	0.000	-0.756
H3	0.000	0.000	1.938
H4	0.000	0.000	-1.938

	B1	B2	H3	H4
B1		1.5114	1.1827	2.6941
B2	1.5114		2.6941	1.1827
H3	1.1827	2.6941		3.8768
H4	2.6941	1.1827	3.8768

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

using model chemistry: QCISD(TQ)=FULL/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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