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	hartrees
Energy at 0K	-50.668262
Energy at 298.15K	-50.668230
HF Energy	-50.668262
Nuclear repulsion energy	15.216036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2786	2746	0.00
2	Σ_g	1236	1219	0.00
3	Σ_u	2747	2708	31.72
4	Π_g	547	540	0.00
4	Π_g	547	540	0.00
5	Π_u	595	587	2.42
5	Π_u	595	587	2.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.762
B2	0.000	0.000	-0.762
H3	0.000	0.000	1.951
H4	0.000	0.000	-1.951

	B1	B2	H3	H4
B1		1.5247	1.1883	2.7130
B2	1.5247		2.7130	1.1883
H3	1.1883	2.7130		3.9013
H4	2.7130	1.1883	3.9013

Number	Element	Mulliken
1	B	-0.066
2	B	-0.066
3	H	0.066
4	H	0.066

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

using model chemistry: PBEPBE/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>	21.509
(<r²>)^1/2	4.638