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	hartrees
Energy at 0K	-50.630028
Energy at 298.15K	-50.630072
HF Energy	-50.438849
Nuclear repulsion energy	15.343157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2819	2819
2	Σ_g	1255	1255
3	Σ_u	2776	2776
4	Π_g	573	573
4	Π_g	573	573
5	Π_u	614	614
5	Π_u	614	614

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		1.5145	1.1755	2.6900
B2	1.5145		2.6900	1.1755
H3	1.1755	2.6900		3.8655
H4	2.6900	1.1755	3.8655

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

using model chemistry: QCISD(TQ)/cc-pVTZ

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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