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	hartrees
Energy at 0K	-50.659347
Energy at 298.15K	-50.659433
HF Energy	-50.440075
Nuclear repulsion energy	15.414336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2840	2840	0.00
2	Σ_g	1273	1273	0.00
3	Σ_u	2799	2799	26.07
4	Π_g	596	596	0.00
4	Π_g	596	596	0.00
5	Π_u	630	630	0.02
5	Π_u	630	630	0.02

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.753
B2	0.000	0.000	-0.753
H3	0.000	0.000	1.924
H4	0.000	0.000	-1.924

	B1	B2	H3	H4
B1		1.5068	1.1706	2.6774
B2	1.5068		2.6774	1.1706
H3	1.1706	2.6774		3.8480
H4	2.6774	1.1706	3.8480

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

using model chemistry: CCSD=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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