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	hartrees
Energy at 0K	-50.641377
Energy at 298.15K	-50.641427
HF Energy	-50.441889
Nuclear repulsion energy	15.366460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2820	2711
2	Σ_g	1256	1208
3	Σ_u	2781	2674
4	Π_g	578	556
4	Π_g	578	556
5	Π_u	615	592
5	Π_u	615	592

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	1.930
H4	0.000	0.000	-1.930

	B1	B2	H3	H4
B1		1.5109	1.1746	2.6855
B2	1.5109		2.6855	1.1746
H3	1.1746	2.6855		3.8601
H4	2.6855	1.1746	3.8601

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

using model chemistry: CCSD(T)/aug-cc-pVQZ

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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