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	hartrees
Energy at 0K	-6.530760
Energy at 298.15K	-6.530774
HF Energy	-6.424924
Nuclear repulsion energy	7.026764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2869	2724	0.00
2	Σ_g	1276	1211	0.00
3	Σ_u	2829	2686	28.37
4	Π_g	552	524	0.00
4	Π_g	552	524	0.00
5	Π_u	627	595	0.88
5	Π_u	627	595	0.88

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.781
B2	0.000	0.000	-0.781
H3	0.000	0.000	1.963
H4	0.000	0.000	-1.963

	B1	B2	H3	H4
B1		1.5621	1.1820	2.7441
B2	1.5621		2.7441	1.1820
H3	1.1820	2.7441		3.9261
H4	2.7441	1.1820	3.9261

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

using model chemistry: MP2/CEP-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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