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	hartrees
Energy at 0K	-50.609435
Energy at 298.15K	-50.609535
HF Energy	-50.441996
Nuclear repulsion energy	15.416970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2871	2727	0.00
2	Σ_g	1275	1210	0.00
3	Σ_u	2830	2688	22.89
4	Π_g	605	574	0.00
4	Π_g	605	574	0.00
5	Π_u	630	599	0.07
5	Π_u	630	599	0.07

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.753
B2	0.000	0.000	-0.753
H3	0.000	0.000	1.924
H4	0.000	0.000	-1.924

	B1	B2	H3	H4
B1		1.5066	1.1703	2.6769
B2	1.5066		2.6769	1.1703
H3	1.1703	2.6769		3.8472
H4	2.6769	1.1703	3.8472

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

using model chemistry: MP2/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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