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	hartrees
Energy at 0K	-50.621099
Energy at 298.15K	-50.621187
HF Energy	-50.438961
Nuclear repulsion energy	15.384114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2841	2653	0.00
2	Σ_g	1278	1193	0.00
3	Σ_u	2797	2611	25.55
4	Π_g	593	553	0.00
4	Π_g	593	553	0.00
5	Π_u	630	588	0.20
5	Π_u	630	588	0.20

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	1.928
H4	0.000	0.000	-1.928

	B1	B2	H3	H4
B1		1.5092	1.1737	2.6829
B2	1.5092		2.6829	1.1737
H3	1.1737	2.6829		3.8566
H4	2.6829	1.1737	3.8566

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

using model chemistry: CCD/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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