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	hartrees
Energy at 0K	-50.589549
Energy at 298.15K	-50.589562
HF Energy	-50.425448
Nuclear repulsion energy	15.127437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	2808	2704
2	Σ_g	1248	1202
3	Σ_u	2766	2664
4	Π_g	548	528
4	Π_g	548	528
5	Π_u	619	596
5	Π_u	619	596

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.768
B2	0.000	0.000	-0.768
H3	0.000	0.000	1.960
H4	0.000	0.000	-1.960

	B1	B2	H3	H4
B1		1.5358	1.1918	2.7275
B2	1.5358		2.7275	1.1918
H3	1.1918	2.7275		3.9193
H4	2.7275	1.1918	3.9193

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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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