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	hartrees
Energy at 0K	-50.760432
Energy at 298.15K	-50.760433
HF Energy	-50.760432
Nuclear repulsion energy	15.428695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2858	2858	0.00
2	Σ_g	1280	1280	0.00
3	Σ_u	2818	2818	24.38
4	Π_g	562	562	0.00
4	Π_g	562	562	0.00
5	Π_u	595	595	0.83
5	Π_u	595	595	0.83

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.752
B2	0.000	0.000	-0.752
H3	0.000	0.000	1.923
H4	0.000	0.000	-1.923

	B1	B2	H3	H4
B1		1.5044	1.1709	2.6753
B2	1.5044		2.6753	1.1709
H3	1.1709	2.6753		3.8463
H4	2.6753	1.1709	3.8463

Number	Element	Mulliken
1	B	0.204
2	B	0.204
3	H	-0.204
4	H	-0.204

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

using model chemistry: M06-2X/daug-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>	21.510
(<r²>)^1/2	4.638