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	hartrees
Energy at 0K	-49.811311
Energy at 298.15K	-49.811295
HF Energy	-49.750689
Nuclear repulsion energy	15.781022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3230	2816	0.00
2	Σ_g	1469	1281	0.00
3	Σ_u	3173	2767	16.33
4	Π_g	596	520	0.00
4	Π_g	596	520	0.00
5	Π_u	671	585	23.46
5	Π_u	671	585	23.46

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.729
B2	0.000	0.000	-0.729
H3	0.000	0.000	1.892
H4	0.000	0.000	-1.892

	B1	B2	H3	H4
B1		1.4588	1.1622	2.6210
B2	1.4588		2.6210	1.1622
H3	1.1622	2.6210		3.7832
H4	2.6210	1.1622	3.7832

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

using model chemistry: MP2/STO-3G

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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