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	hartrees
Energy at 0K	-50.633619
Energy at 298.15K	-50.633540
HF Energy	-50.437532
Nuclear repulsion energy	15.388576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2857	2707	0.00
2	Σ_g	1278	1211	0.00
3	Σ_u	2815	2667	28.26
4	Π_g	490	464	0.00
4	Π_g	490	464	0.00
5	Π_u	609	577	0.07
5	Π_u	609	577	0.07

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		1.5089	1.1732	2.6821
B2	1.5089		2.6821	1.1732
H3	1.1732	2.6821		3.8553
H4	2.6821	1.1732	3.8553

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

using model chemistry: CCSD=FULL/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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