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	hartrees
Energy at 0K	-50.711286
Energy at 298.15K	-50.711323
HF Energy	-50.665838
Nuclear repulsion energy	15.408339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2859	2729	0.00
2	Σ_g	1272	1214	0.00
3	Σ_u	2820	2692	27.38
4	Π_g	567	542	0.00
4	Π_g	567	542	0.00
5	Π_u	614	586	0.34
5	Π_u	614	586	0.34

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.754
B2	0.000	0.000	-0.754
H3	0.000	0.000	1.925
H4	0.000	0.000	-1.925

	B1	B2	H3	H4
B1		1.5072	1.1713	2.6785
B2	1.5072		2.6785	1.1713
H3	1.1713	2.6785		3.8499
H4	2.6785	1.1713	3.8499

Number	Element	Mulliken
1	B	0.001
2	B	0.001
3	H	-0.001
4	H	-0.001

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

using model chemistry: B2PLYP/TZVP

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>	21.631
(<r²>)^1/2	4.651