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	hartrees
Energy at 0K	-50.707312
Energy at 298.15K	-50.707358
HF Energy	-50.707312
Nuclear repulsion energy	15.376338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2819	2710	0.00
2	Σ_g	1264	1215	0.00
3	Σ_u	2779	2671	26.28
4	Π_g	579	556	0.00
4	Π_g	579	556	0.00
5	Π_u	608	584	0.22
5	Π_u	608	584	0.22

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.754
B2	0.000	0.000	-0.754
H3	0.000	0.000	1.930
H4	0.000	0.000	-1.930

	B1	B2	H3	H4
B1		1.5086	1.1762	2.6848
B2	1.5086		2.6848	1.1762
H3	1.1762	2.6848		3.8610
H4	2.6848	1.1762	3.8610

Number	Element	Mulliken
1	B	-0.031
2	B	-0.031
3	H	0.031
4	H	0.031

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

using model chemistry: HSEh1PBE/cc-pVTZ

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>	21.560
(<r²>)^1/2	4.643