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	hartrees
Energy at 0K	-50.729543
Energy at 298.15K
HF Energy	-50.667211
Nuclear repulsion energy	15.450479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2865	2865	0.00
2	Σ_g	1276	1276	0.00
3	Σ_u	2821	2821	26.57
4	Π_g	602	602	0.00
4	Π_g	602	602	0.00
5	Π_u	629	629	0.11
5	Π_u	629	629	0.11

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	1.920
H4	0.000	0.000	-1.920

	B1	B2	H3	H4
B1		1.5031	1.1681	2.6712
B2	1.5031		2.6712	1.1681
H3	1.1681	2.6712		3.8394
H4	2.6712	1.1681	3.8394

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

using model chemistry: B2PLYP=FULLultrafine/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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