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	hartrees
Energy at 0K	-50.391937
Energy at 298.15K	-50.392062
HF Energy	-50.364347
Nuclear repulsion energy	15.334627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2897	2897	0.00
2	Σ_g	1278	1278	0.00
3	Σ_u	2848	2848	30.24
4	Π_g	624	624	0.00
4	Π_g	624	624	0.00
5	Π_u	642	642	3.12
5	Π_u	642	642	3.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.759
B2	0.000	0.000	-0.759
H3	0.000	0.000	1.932
H4	0.000	0.000	-1.932

	B1	B2	H3	H4
B1		1.5170	1.1733	2.6904
B2	1.5170		2.6904	1.1733
H3	1.1733	2.6904		3.8637
H4	2.6904	1.1733	3.8637

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

using model chemistry: B2PLYP=FULL/3-21G*

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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