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	hartrees
Energy at 0K	-50.619037
Energy at 298.15K	-50.619108
HF Energy	-50.439043
Nuclear repulsion energy	15.462246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2883	2737	0.00
2	Σ_g	1290	1225	0.00
3	Σ_u	2823	2680	23.31
4	Π_g	586	556	0.00
4	Π_g	586	556	0.00
5	Π_u	622	590	0.36
5	Π_u	622	590	0.36

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.751
B2	0.000	0.000	-0.751
H3	0.000	0.000	1.918
H4	0.000	0.000	-1.918

	B1	B2	H3	H4
B1		1.5024	1.1667	2.6690
B2	1.5024		2.6690	1.1667
H3	1.1667	2.6690		3.8357
H4	2.6690	1.1667	3.8357

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

using model chemistry: MP2=FULL/cc-pVTZ

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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