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	hartrees
Energy at 0K	-50.666105
Energy at 298.15K	-50.666172
HF Energy	-50.440013
Nuclear repulsion energy	15.381261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2828	2828
2	Σ_g	1257	1257
3	Σ_u	2787	2787
4	Π_g	589	589
4	Π_g	589	589
5	Π_u	622	622
5	Π_u	622	622

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.755
B2	0.000	0.000	-0.755
H3	0.000	0.000	1.927
H4	0.000	0.000	-1.927

	B1	B2	H3	H4
B1		1.5106	1.1719	2.6825
B2	1.5106		2.6825	1.1719
H3	1.1719	2.6825		3.8543
H4	2.6825	1.1719	3.8543

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

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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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