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	hartrees
Energy at 0K	-50.664837
Energy at 298.15K	-50.664803
HF Energy	-50.636937
Nuclear repulsion energy	15.310969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2865	2865	0.00
2	Σ_g	1272	1272	0.00
3	Σ_u	2822	2822	35.41
4	Π_g	521	521	0.00
4	Π_g	521	521	0.00
5	Π_u	616	616	2.08
5	Π_u	616	616	2.08

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	1.935
H4	0.000	0.000	-1.935

	B1	B2	H3	H4
B1		1.5188	1.1759	2.6947
B2	1.5188		2.6947	1.1759
H3	1.1759	2.6947		3.8706
H4	2.6947	1.1759	3.8706

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

using model chemistry: B2PLYP=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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