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	hartrees
Energy at 0K	-50.793021
Energy at 298.15K	-50.793067
HF Energy	-50.793021
Nuclear repulsion energy	15.429428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2829	2741	0.00
2	Σ_g	1261	1222	0.00
3	Σ_u	2791	2704	27.36
4	Π_g	582	564	0.00
4	Π_g	582	564	0.00
5	Π_u	608	589	0.21
5	Π_u	608	589	0.21

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	1.923
H4	0.000	0.000	-1.923

	B1	B2	H3	H4
B1		1.5049	1.1701	2.6750
B2	1.5049		2.6750	1.1701
H3	1.1701	2.6750		3.8451
H4	2.6750	1.1701	3.8451

Number	Element	Mulliken
1	B	0.055
2	B	0.055
3	H	-0.055
4	H	-0.055

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

using model chemistry: B3LYP/cc-pVQZ

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>	21.539
(<r²>)^1/2	4.641