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	hartrees
Energy at 0K	-50.603411
Energy at 298.15K	-50.603504
HF Energy	-50.426789
Nuclear repulsion energy	15.390170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2871	2720	0.00
2	Σ_g	1285	1217	0.00
3	Σ_u	2830	2681	16.54
4	Π_g	590	559	0.00
4	Π_g	590	559	0.00
5	Π_u	644	610	1.24
5	Π_u	644	610	1.24

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.754
B2	0.000	0.000	-0.754
H3	0.000	0.000	1.928
H4	0.000	0.000	-1.928

	B1	B2	H3	H4
B1		1.5081	1.1739	2.6820
B2	1.5081		2.6820	1.1739
H3	1.1739	2.6820		3.8559
H4	2.6820	1.1739	3.8559

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

using model chemistry: QCISD/6-31G(2df,p)

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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