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	hartrees
Energy at 0K	-50.683881
Energy at 298.15K	-50.683833
HF Energy	-50.683881
Nuclear repulsion energy	15.280399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2757	2735	0.00
2	Σ_g	1225	1215	0.00
3	Σ_u	2716	2694	24.36
4	Π_g	540	536	0.00
4	Π_g	540	536	0.00
5	Π_u	577	572	0.05
5	Π_u	577	572	0.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.760
B2	0.000	0.000	-0.760
H3	0.000	0.000	1.942
H4	0.000	0.000	-1.942

	B1	B2	H3	H4
B1		1.5193	1.1819	2.7012
B2	1.5193		2.7012	1.1819
H3	1.1819	2.7012		3.8831
H4	2.7012	1.1819	3.8831

Number	Element	Mulliken
1	B	-0.195
2	B	-0.195
3	H	0.195
4	H	0.195

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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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<r²>	21.811
(<r²>)^1/2	4.670