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	hartrees
Energy at 0K	-50.729091
Energy at 298.15K	-50.729206
HF Energy	-50.667138
Nuclear repulsion energy	15.452049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2866	2750	0.00
2	Σ_g	1278	1226	0.00
3	Σ_u	2819	2705	26.52
4	Π_g	603	578	0.00
4	Π_g	603	578	0.00
5	Π_u	644	618	0.09
5	Π_u	644	618	0.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.751
B2	0.000	0.000	-0.751
H3	0.000	0.000	1.920
H4	0.000	0.000	-1.920

	B1	B2	H3	H4
B1		1.5028	1.1682	2.6710
B2	1.5028		2.6710	1.1682
H3	1.1682	2.6710		3.8393
H4	2.6710	1.1682	3.8393

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

using model chemistry: B2PLYP=FULL/aug-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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