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	hartrees
Energy at 0K	-50.562871
Energy at 298.15K	-50.562613
HF Energy	-50.420349
Nuclear repulsion energy	15.340858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2850	2691	0.00
2	Σ_g	1292	1220	0.00
3	Σ_u	2811	2655	31.01
4	Π_g	400	378	0.00
4	Π_g	400	378	0.00
5	Π_u	604	570	1.02
5	Π_u	604	570	1.02

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	1.937
H4	0.000	0.000	-1.937

	B1	B2	H3	H4
B1		1.5101	1.1818	2.6919
B2	1.5101		2.6919	1.1818
H3	1.1818	2.6919		3.8737
H4	2.6919	1.1818	3.8737

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

using model chemistry: CCSD/6-31G*

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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