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	hartrees
Energy at 0K	-50.555326
Energy at 298.15K	-50.555168
HF Energy	-50.420449
Nuclear repulsion energy	15.378556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2882	2663	0.00
2	Σ_g	1309	1210	0.00
3	Σ_u	2843	2626	28.02
4	Π_g	445	411	0.00
4	Π_g	445	411	0.00
5	Π_u	619	571	1.27
5	Π_u	619	571	1.27

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	1.932
H4	0.000	0.000	-1.932

	B1	B2	H3	H4
B1		1.5062	1.1792	2.6854
B2	1.5062		2.6854	1.1792
H3	1.1792	2.6854		3.8646
H4	2.6854	1.1792	3.8646

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

using model chemistry: CID/6-31G*

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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