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	hartrees
Energy at 0K	-50.595325
Energy at 298.15K	-50.595267
HF Energy	-50.437514
Nuclear repulsion energy	15.381821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2879	2692	0.00
2	Σ_g	1279	1197	0.00
3	Σ_u	2839	2655	23.37
4	Π_g	501	469	0.00
4	Π_g	501	469	0.00
5	Π_u	612	572	0.09
5	Π_u	612	572	0.09

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		1.5101	1.1729	2.6830
B2	1.5101		2.6830	1.1729
H3	1.1729	2.6830		3.8559
H4	2.6830	1.1729	3.8559

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

using model chemistry: MP3/TZVP

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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