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	hartrees
Energy at 0K	-50.700047
Energy at 298.15K	-50.700083
HF Energy	-50.700047
Nuclear repulsion energy	15.358149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2813	2699	0.00
2	Σ_g	1265	1214	0.00
3	Σ_u	2770	2658	30.25
4	Π_g	580	556	0.00
4	Π_g	580	556	0.00
5	Π_u	607	583	0.95
5	Π_u	607	583	0.95

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.755
B2	0.000	0.000	-0.755
H3	0.000	0.000	1.934
H4	0.000	0.000	-1.934

	B1	B2	H3	H4
B1		1.5096	1.1788	2.6883
B2	1.5096		2.6883	1.1788
H3	1.1788	2.6883		3.8671
H4	2.6883	1.1788	3.8671

Number	Element	Mulliken
1	B	-0.056
2	B	-0.056
3	H	0.056
4	H	0.056

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

using model chemistry: HSEh1PBE/6-311G*

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>	21.608
(<r²>)^1/2	4.648