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	hartrees
Energy at 0K	-50.684489
Energy at 298.15K	-50.684540
HF Energy	-50.684489
Nuclear repulsion energy	15.321052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2849	2715	0.00
2	Σ_g	1279	1219	0.00
3	Σ_u	2810	2678	33.90
4	Π_g	581	554	0.00
4	Π_g	581	554	0.00
5	Π_u	620	591	2.80
5	Π_u	620	591	2.80

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.757
B2	0.000	0.000	-0.757
H3	0.000	0.000	1.938
H4	0.000	0.000	-1.938

	B1	B2	H3	H4
B1		1.5132	1.1816	2.6949
B2	1.5132		2.6949	1.1816
H3	1.1816	2.6949		3.8765
H4	2.6949	1.1816	3.8765

Number	Element	Mulliken
1	B	-0.075
2	B	-0.075
3	H	0.075
4	H	0.075

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

using model chemistry: PBE1PBE/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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<r²>	21.344
(<r²>)^1/2	4.620